smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([N+](=O)[O-])c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000278586325 214257235 /nfs/dbraw/zinc/25/72/35/214257235.db2.gz TZBRSGHMRYVXLA-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO COC(=O)c1coc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000278629297 214287884 /nfs/dbraw/zinc/28/78/84/214287884.db2.gz GUYOYRWORDGOFN-NSHDSACASA-N 1 0 318.329 2.868 20 5 DFBDRO CCOC(=O)N1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000079070348 185152873 /nfs/dbraw/zinc/15/28/73/185152873.db2.gz CTRGXPOJNFDMIX-UHFFFAOYSA-N 1 0 321.377 2.614 20 5 DFBDRO C[C@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000318281533 231167542 /nfs/dbraw/zinc/16/75/42/231167542.db2.gz LKDDPPUKTDUYFL-IUCAKERBSA-N 1 0 318.299 2.903 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1 ZINC000322605916 231212742 /nfs/dbraw/zinc/21/27/42/231212742.db2.gz YYJAWQPQUJBRBM-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccc2c1C[NH2+]CC2 ZINC000326207106 231227175 /nfs/dbraw/zinc/22/71/75/231227175.db2.gz NCEJZXWCYUQLEU-CMDGGOBGSA-N 1 0 323.352 2.892 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000591899374 398346957 /nfs/dbraw/zinc/34/69/57/398346957.db2.gz KURQFQPFWWGAIX-ZIAGYGMSSA-N 1 0 316.405 2.907 20 5 DFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CCC12CCC2 ZINC000081545627 398357334 /nfs/dbraw/zinc/35/73/34/398357334.db2.gz WATJLMMZKPCIID-UHFFFAOYSA-N 1 0 317.345 2.521 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962413 398352630 /nfs/dbraw/zinc/35/26/30/398352630.db2.gz KRYPZCPLBFMHPH-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1NCC[C@@H]1CC[NH2+]C1 ZINC000087834909 185232715 /nfs/dbraw/zinc/23/27/15/185232715.db2.gz URWIGCLVPPPXJE-VIFPVBQESA-N 1 0 314.183 2.769 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CCC[NH2+]C1 ZINC000087834827 185232810 /nfs/dbraw/zinc/23/28/10/185232810.db2.gz OLPOJMPDRHAVMM-VIFPVBQESA-N 1 0 314.183 2.769 20 5 DFBDRO CCC[NH2+]CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834847 185232866 /nfs/dbraw/zinc/23/28/66/185232866.db2.gz MGZYXADECMUYGU-UHFFFAOYSA-N 1 0 302.172 2.769 20 5 DFBDRO C[NH+](C)C1(CNc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596274456 398374053 /nfs/dbraw/zinc/37/40/53/398374053.db2.gz HJSHXQHRPJONNJ-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO Cc1cnc(CCNc2c(Cl)cncc2[N+](=O)[O-])c(C)c1 ZINC000596297676 398379412 /nfs/dbraw/zinc/37/94/12/398379412.db2.gz FNFISZYCFCFTFP-UHFFFAOYSA-N 1 0 306.753 2.732 20 5 DFBDRO CC1CCC([N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C2CC2)CC1 ZINC000090518050 185300122 /nfs/dbraw/zinc/30/01/22/185300122.db2.gz LQXOPEDIOWBDCU-UHFFFAOYSA-N 1 0 319.405 2.800 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCCCC1 ZINC000090522796 185300179 /nfs/dbraw/zinc/30/01/79/185300179.db2.gz JVGGVPJIZGWAKL-UHFFFAOYSA-N 1 0 307.394 2.801 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000090454160 185297492 /nfs/dbraw/zinc/29/74/92/185297492.db2.gz GTSGYGJCMMKWDI-WCQYABFASA-N 1 0 300.362 2.834 20 5 DFBDRO CC(C)C[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552300 185302897 /nfs/dbraw/zinc/30/28/97/185302897.db2.gz HJPXSPRSRROLAC-CQSZACIVSA-N 1 0 307.394 2.515 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083445431 398387121 /nfs/dbraw/zinc/38/71/21/398387121.db2.gz ZLFJUVJTKADLBZ-LLVKDONJSA-N 1 0 301.350 2.654 20 5 DFBDRO CC(=O)N(C)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000092538200 185324964 /nfs/dbraw/zinc/32/49/64/185324964.db2.gz ZEOHDFMMHADAKN-FNORWQNLSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1cccs1 ZINC000192764343 282250052 /nfs/dbraw/zinc/25/00/52/282250052.db2.gz FZPULQBFYPJVGW-CYBMUJFWSA-N 1 0 306.391 2.953 20 5 DFBDRO C[N@H+](CCC(C)(C)C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000592144647 398390995 /nfs/dbraw/zinc/39/09/95/398390995.db2.gz GITWYLKSEOUUBO-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO Cc1ccc(N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000596361593 398394951 /nfs/dbraw/zinc/39/49/51/398394951.db2.gz WDVNVMBQANICFP-AWEZNQCLSA-N 1 0 308.426 2.587 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000015387633 398396059 /nfs/dbraw/zinc/39/60/59/398396059.db2.gz VKZBFEZFXOSVRN-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cc(N)ccc1[N+](=O)[O-] ZINC000286652874 219104487 /nfs/dbraw/zinc/10/44/87/219104487.db2.gz WNDBKUGAMOILJH-UHFFFAOYSA-N 1 0 318.377 2.728 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331413 398412728 /nfs/dbraw/zinc/41/27/28/398412728.db2.gz KDBBOLWQILRKIC-DOMZBBRYSA-N 1 0 319.405 2.918 20 5 DFBDRO Cc1cc(N2CCC[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782960 210186012 /nfs/dbraw/zinc/18/60/12/210186012.db2.gz AUDGKDAWGWKOEE-LBPRGKRZSA-N 1 0 301.346 2.660 20 5 DFBDRO COc1ncncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000592363647 398416278 /nfs/dbraw/zinc/41/62/78/398416278.db2.gz GZMQRHXBIAHLDT-UHFFFAOYSA-N 1 0 316.361 2.506 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000592366738 398416592 /nfs/dbraw/zinc/41/65/92/398416592.db2.gz HXYMQVZACGDDMG-KCJUWKMLSA-N 1 0 304.268 2.881 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596451785 398416599 /nfs/dbraw/zinc/41/65/99/398416599.db2.gz AZWMMYLNAUUAAH-STQMWFEESA-N 1 0 322.409 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C[C@H](C)CC ZINC000592375128 398417040 /nfs/dbraw/zinc/41/70/40/398417040.db2.gz RLTMCAZUMPDPDD-OCCSQVGLSA-N 1 0 310.394 2.880 20 5 DFBDRO C[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)F ZINC000592372826 398417319 /nfs/dbraw/zinc/41/73/19/398417319.db2.gz RTXXKPVVMUYJAN-VIFPVBQESA-N 1 0 316.304 2.747 20 5 DFBDRO O=[N+]([O-])c1ccc(Cc2nc([C@H]3CCC[NH2+]3)no2)c(Cl)c1 ZINC000592356684 398414470 /nfs/dbraw/zinc/41/44/70/398414470.db2.gz FFEAVCPHVUKHQY-LLVKDONJSA-N 1 0 308.725 2.647 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356701 398414862 /nfs/dbraw/zinc/41/48/62/398414862.db2.gz FVAOLMHZVOMDBP-VLWUPBBWSA-N 1 0 304.281 2.712 20 5 DFBDRO Cc1cc(N2C[C@@H](C)C(O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596469047 398421026 /nfs/dbraw/zinc/42/10/26/398421026.db2.gz ILEWWVREEFVILK-GHMZBOCLSA-N 1 0 315.373 2.905 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@@H]1SC ZINC000592377481 398418038 /nfs/dbraw/zinc/41/80/38/398418038.db2.gz YIOOJIKDSPYSPT-KFWWJZLASA-N 1 0 310.419 2.902 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000592380898 398419200 /nfs/dbraw/zinc/41/92/00/398419200.db2.gz UGGUEADODCWJJI-MWLCHTKSSA-N 1 0 312.391 2.596 20 5 DFBDRO Cc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426214 398424236 /nfs/dbraw/zinc/42/42/36/398424236.db2.gz NBHMKONTVDEXNJ-CVEARBPZSA-N 1 0 303.406 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592424650 398424556 /nfs/dbraw/zinc/42/45/56/398424556.db2.gz ZXNYBANHKGQLAN-AWEZNQCLSA-N 1 0 318.377 2.699 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN(C1CC1)C1CC[NH2+]CC1 ZINC000592424374 398424566 /nfs/dbraw/zinc/42/45/66/398424566.db2.gz MLIHTHAZJQAKHU-HYXAFXHYSA-N 1 0 301.390 2.824 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000596479180 398425141 /nfs/dbraw/zinc/42/51/41/398425141.db2.gz LVLFBPDWPKXGFU-NSHDSACASA-N 1 0 308.357 2.948 20 5 DFBDRO C[NH+](C)C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000087128960 398425762 /nfs/dbraw/zinc/42/57/62/398425762.db2.gz XKXCZHAWTKWEDT-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000592400064 398422115 /nfs/dbraw/zinc/42/21/15/398422115.db2.gz QGPKXPFAAPGTCN-CYDGBPFRSA-N 1 0 310.423 2.759 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000294915541 529903352 /nfs/dbraw/zinc/90/33/52/529903352.db2.gz ICFPOOPUPVXLQO-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478623 398431827 /nfs/dbraw/zinc/43/18/27/398431827.db2.gz GGHHLGXQVGDLMY-WFASDCNBSA-N 1 0 307.369 2.698 20 5 DFBDRO Cc1cc(N[C@@H]2C[C@@H](O)C23CCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596512705 398435494 /nfs/dbraw/zinc/43/54/94/398435494.db2.gz SBCIEFHAUNEMHN-HZPDHXFCSA-N 1 0 313.357 2.589 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000286731269 219134868 /nfs/dbraw/zinc/13/48/68/219134868.db2.gz CZJOPEUIRWLOAM-MLGOLLRUSA-N 1 0 307.369 2.793 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000299364479 529990326 /nfs/dbraw/zinc/99/03/26/529990326.db2.gz WETMXKOTOBPYLD-QGZVFWFLSA-N 1 0 300.358 2.630 20 5 DFBDRO CCOCCOC1CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459459889 299111763 /nfs/dbraw/zinc/11/17/63/299111763.db2.gz KQCCFTKELXGXGC-ZROIWOOFSA-N 1 0 320.389 2.735 20 5 DFBDRO CC1(C)Cc2n[nH]cc2CN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598932 398457256 /nfs/dbraw/zinc/45/72/56/398457256.db2.gz OKNBOVOKKSKGNK-UHFFFAOYSA-N 1 0 300.362 2.902 20 5 DFBDRO C[NH+](C)CCOc1cccc(-c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000596628902 398464757 /nfs/dbraw/zinc/46/47/57/398464757.db2.gz IDBALNKRKVSFCT-UHFFFAOYSA-N 1 0 301.346 2.784 20 5 DFBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000596635520 398467251 /nfs/dbraw/zinc/46/72/51/398467251.db2.gz LVCDLWXJDGLNTJ-GFCCVEGCSA-N 1 0 320.393 2.898 20 5 DFBDRO CC(C)Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000181789740 199352490 /nfs/dbraw/zinc/35/24/90/199352490.db2.gz KEQJQBFDIQFNEX-UHFFFAOYSA-N 1 0 302.378 2.780 20 5 DFBDRO CC(C)[N@H+](C)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232639887 535009685 /nfs/dbraw/zinc/00/96/85/535009685.db2.gz LMCPATNYBGPLKF-UHFFFAOYSA-N 1 0 306.288 2.761 20 5 DFBDRO CCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829642 398491803 /nfs/dbraw/zinc/49/18/03/398491803.db2.gz TYUNGIFPGCPLIH-XJKSGUPXSA-N 1 0 319.405 2.641 20 5 DFBDRO COC[C@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910063 398496906 /nfs/dbraw/zinc/49/69/06/398496906.db2.gz KRZKRQKMJPRQKJ-KRWDZBQOSA-N 1 0 314.385 2.985 20 5 DFBDRO Cc1ncc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000090909875 398496969 /nfs/dbraw/zinc/49/69/69/398496969.db2.gz OKUYSSYTKKGDPD-LLVKDONJSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000236577680 201928563 /nfs/dbraw/zinc/92/85/63/201928563.db2.gz VNJBHTZCKLBWFW-GFCCVEGCSA-N 1 0 319.405 2.622 20 5 DFBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000272677463 210081167 /nfs/dbraw/zinc/08/11/67/210081167.db2.gz MARVMXWLMJDGPA-OAHLLOKOSA-N 1 0 320.345 2.606 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCC(O)CC3)c2c1 ZINC000588959748 398520301 /nfs/dbraw/zinc/52/03/01/398520301.db2.gz MSKVSLWNTQGVRN-UHFFFAOYSA-N 1 0 303.362 2.512 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC12CCCC2 ZINC000593037735 398527436 /nfs/dbraw/zinc/52/74/36/398527436.db2.gz CPRROECETYBQTE-UHFFFAOYSA-N 1 0 303.362 2.860 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068799877 398528828 /nfs/dbraw/zinc/52/88/28/398528828.db2.gz WJWTYEQHSYMZRA-RMKNXTFCSA-N 1 0 317.389 2.551 20 5 DFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000593048478 398530788 /nfs/dbraw/zinc/53/07/88/398530788.db2.gz LDKQIUJIBOENBE-TZMCWYRMSA-N 1 0 310.394 2.880 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593054919 398533025 /nfs/dbraw/zinc/53/30/25/398533025.db2.gz HRNOJKKOALFGPR-AWEZNQCLSA-N 1 0 308.378 2.993 20 5 DFBDRO COc1ccc(NC(=O)C[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000317252109 398534414 /nfs/dbraw/zinc/53/44/14/398534414.db2.gz UKISORXKUTVAPO-NSHDSACASA-N 1 0 309.366 2.553 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286902507 219217513 /nfs/dbraw/zinc/21/75/13/219217513.db2.gz CMMQIGPYJMGDRJ-CJNGLKHVSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)(O)C(C)(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000272631983 210034869 /nfs/dbraw/zinc/03/48/69/210034869.db2.gz WYCUCHKEBUGKCD-UHFFFAOYSA-N 1 0 319.361 2.889 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206499 398538644 /nfs/dbraw/zinc/53/86/44/398538644.db2.gz OVHDIQGNISMXBA-CJNGLKHVSA-N 1 0 307.369 2.650 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+]C1(C2CCC2)CC1 ZINC000593081908 398540712 /nfs/dbraw/zinc/54/07/12/398540712.db2.gz UBZUBBZTWLOCAH-UHFFFAOYSA-N 1 0 303.362 2.764 20 5 DFBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000319968418 398544650 /nfs/dbraw/zinc/54/46/50/398544650.db2.gz ICHBCELVVYVPOM-GFCCVEGCSA-N 1 0 308.378 2.705 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959452 398544866 /nfs/dbraw/zinc/54/48/66/398544866.db2.gz CRGUDCAGNMZMNU-STQMWFEESA-N 1 0 305.378 2.951 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000069045996 398545436 /nfs/dbraw/zinc/54/54/36/398545436.db2.gz WDRMKSHKTIGJAJ-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO [NH3+]C1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000320754399 398549821 /nfs/dbraw/zinc/54/98/21/398549821.db2.gz VAFJSULUNPZZCD-UHFFFAOYSA-N 1 0 301.350 2.612 20 5 DFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593127515 398553402 /nfs/dbraw/zinc/55/34/02/398553402.db2.gz XXYJJNQCUIXSPX-KNXALSJPSA-N 1 0 318.373 2.787 20 5 DFBDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593132815 398555333 /nfs/dbraw/zinc/55/53/33/398555333.db2.gz ZFENPMSCKVBYKT-UHFFFAOYSA-N 1 0 308.382 2.694 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322087883 398555703 /nfs/dbraw/zinc/55/57/03/398555703.db2.gz JCNUWOFPKJNHFR-KGLIPLIRSA-N 1 0 317.389 2.507 20 5 DFBDRO COC(=O)c1oc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000597056004 398556855 /nfs/dbraw/zinc/55/68/55/398556855.db2.gz VDWLVYLZHJWBHF-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000322626261 398558402 /nfs/dbraw/zinc/55/84/02/398558402.db2.gz UAEXEXKJCBQIFM-NEPJUHHUSA-N 1 0 313.361 2.577 20 5 DFBDRO CCOC(=O)c1cc(NCC[N@H+](C)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000589571812 398560519 /nfs/dbraw/zinc/56/05/19/398560519.db2.gz ZQSSAUNKIGLTBX-LBPRGKRZSA-N 1 0 323.393 2.914 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ccncc21 ZINC000324079186 398562401 /nfs/dbraw/zinc/56/24/01/398562401.db2.gz ZAUANOMMAUSABQ-BETUJISGSA-N 1 0 312.373 2.579 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597075706 398561019 /nfs/dbraw/zinc/56/10/19/398561019.db2.gz KOECNLGZLKSAHH-DZGCQCFKSA-N 1 0 310.781 2.948 20 5 DFBDRO Cc1cc(NC(=O)N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593177570 398565280 /nfs/dbraw/zinc/56/52/80/398565280.db2.gz MCMDWKVOBQWAHY-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000593190059 398568250 /nfs/dbraw/zinc/56/82/50/398568250.db2.gz DELACAKELCXCPP-RDBSUJKOSA-N 1 0 319.405 2.765 20 5 DFBDRO COC1CC[NH+](CCNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000589688866 398570578 /nfs/dbraw/zinc/57/05/78/398570578.db2.gz ROXXEDUKMSUJJQ-UHFFFAOYSA-N 1 0 311.357 2.565 20 5 DFBDRO C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C[NH3+] ZINC000593229888 398576174 /nfs/dbraw/zinc/57/61/74/398576174.db2.gz RGZCQYGAMMIHBP-NEPJUHHUSA-N 1 0 300.362 2.564 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC000593231999 398576968 /nfs/dbraw/zinc/57/69/68/398576968.db2.gz CVUGMAIQIJMMAD-GUYCJALGSA-N 1 0 312.373 2.708 20 5 DFBDRO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000593235652 398577471 /nfs/dbraw/zinc/57/74/71/398577471.db2.gz YBBKJJMCALXENW-UHFFFAOYSA-N 1 0 301.293 2.737 20 5 DFBDRO Cc1cc(NCCC2(C[NH3+])CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000593234877 398577577 /nfs/dbraw/zinc/57/75/77/398577577.db2.gz NYGSKNJXURXACS-UHFFFAOYSA-N 1 0 300.362 2.992 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092650310 398589036 /nfs/dbraw/zinc/58/90/36/398589036.db2.gz LNXOCOARFNVVMK-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597205856 398590141 /nfs/dbraw/zinc/59/01/41/398590141.db2.gz LLCDAJBPTZFHJR-CQSZACIVSA-N 1 0 308.378 2.565 20 5 DFBDRO CC(=O)NC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000092669792 398591960 /nfs/dbraw/zinc/59/19/60/398591960.db2.gz RLACVVQUYGDMBM-UHFFFAOYSA-N 1 0 319.405 2.819 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000597212342 398592016 /nfs/dbraw/zinc/59/20/16/398592016.db2.gz UQFARIJYQFMMLE-GTUVBKISSA-N 1 0 302.374 2.966 20 5 DFBDRO C[NH+](C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000070790437 398598782 /nfs/dbraw/zinc/59/87/82/398598782.db2.gz OMHNWDCXSSZPOS-SECBINFHSA-N 1 0 321.362 2.612 20 5 DFBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1(CO)CC1 ZINC000597255458 398608183 /nfs/dbraw/zinc/60/81/83/398608183.db2.gz NNAOYUDGMOKLIQ-UHFFFAOYSA-N 1 0 319.386 2.675 20 5 DFBDRO C[C@@]1(C(F)F)CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253012 398608350 /nfs/dbraw/zinc/60/83/50/398608350.db2.gz WQYMSDDTQVYKCY-VOKGJARPSA-N 1 0 312.316 2.964 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](O)C1CC1 ZINC000590161235 398602066 /nfs/dbraw/zinc/60/20/66/398602066.db2.gz MOSKKFTXDGJMOL-ZDUSSCGKSA-N 1 0 318.295 2.816 20 5 DFBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000459694146 299166367 /nfs/dbraw/zinc/16/63/67/299166367.db2.gz DEHAUYBLLYJRPJ-UKRRQHHQSA-N 1 0 318.373 2.604 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072698133 398631718 /nfs/dbraw/zinc/63/17/18/398631718.db2.gz OYWIBCPDLGKCGK-OCCSQVGLSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000072771789 398637092 /nfs/dbraw/zinc/63/70/92/398637092.db2.gz YPDRZOBTIXDRQA-VXGBXAGGSA-N 1 0 323.418 2.749 20 5 DFBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000287173600 219359228 /nfs/dbraw/zinc/35/92/28/219359228.db2.gz OGPKETNALIMULF-CJNGLKHVSA-N 1 0 317.389 2.602 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(-c2cccc(SC)c2[N+](=O)[O-])n1 ZINC000414639418 295810194 /nfs/dbraw/zinc/81/01/94/295810194.db2.gz FEPOCPBVMGVUQF-MRVPVSSYSA-N 1 0 308.363 2.517 20 5 DFBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072771786 398636587 /nfs/dbraw/zinc/63/65/87/398636587.db2.gz YPDRZOBTIXDRQA-RYUDHWBXSA-N 1 0 323.418 2.749 20 5 DFBDRO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000593465396 398636825 /nfs/dbraw/zinc/63/68/25/398636825.db2.gz RKGRKQJKOLARSM-ZBEGNZNMSA-N 1 0 300.362 2.529 20 5 DFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173308050 186174576 /nfs/dbraw/zinc/17/45/76/186174576.db2.gz RBPQENZFHKWTIZ-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191826677 186260129 /nfs/dbraw/zinc/26/01/29/186260129.db2.gz UKHWJPXRMZFWEM-ZFWWWQNUSA-N 1 0 307.394 2.705 20 5 DFBDRO Cc1ccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000194289306 186277217 /nfs/dbraw/zinc/27/72/17/186277217.db2.gz QMRCKFQVLVKRDQ-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1ccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237443336 186289952 /nfs/dbraw/zinc/28/99/52/186289952.db2.gz KHZNFUCMFNOGLT-GFCCVEGCSA-N 1 0 305.378 2.868 20 5 DFBDRO CN(CC[NH+]1CCCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000593518044 398650647 /nfs/dbraw/zinc/65/06/47/398650647.db2.gz WZXFIZSAQWONPZ-UHFFFAOYSA-N 1 0 321.406 2.522 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000265992681 186351308 /nfs/dbraw/zinc/35/13/08/186351308.db2.gz GPAPQDRLZPLKHS-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590693389 398652630 /nfs/dbraw/zinc/65/26/30/398652630.db2.gz URBFFDOZKSGWDV-RISCZKNCSA-N 1 0 300.362 2.895 20 5 DFBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000374048340 282726989 /nfs/dbraw/zinc/72/69/89/282726989.db2.gz DDVFPBJOFWDHLD-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CCc1nn(C)c(NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000094148880 398654404 /nfs/dbraw/zinc/65/44/04/398654404.db2.gz IUEYOJNAPFXDAQ-UHFFFAOYSA-N 1 0 309.414 2.566 20 5 DFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc([N+](=O)[O-])c1 ZINC000299235910 186721498 /nfs/dbraw/zinc/72/14/98/186721498.db2.gz NSXNSUCXSJUSEY-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H]([NH3+])CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414827596 295822899 /nfs/dbraw/zinc/82/28/99/295822899.db2.gz YAMWTHKOYXFUFH-SNVBAGLBSA-N 1 0 306.391 2.545 20 5 DFBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118981228 282754120 /nfs/dbraw/zinc/75/41/20/282754120.db2.gz QZIJCLGMDDFNMO-SMDDNHRTSA-N 1 0 305.378 2.752 20 5 DFBDRO CCC[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000096176098 398659710 /nfs/dbraw/zinc/65/97/10/398659710.db2.gz MKIMRHDTPGTLOD-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593647669 398665911 /nfs/dbraw/zinc/66/59/11/398665911.db2.gz FZUPXZYOAGDSAV-HWKANZROSA-N 1 0 302.374 2.845 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756551 398666829 /nfs/dbraw/zinc/66/68/29/398666829.db2.gz ZOCNDYDXTQRGFY-QWHCGFSZSA-N 1 0 305.334 2.639 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])nc1 ZINC000590754870 398667166 /nfs/dbraw/zinc/66/71/66/398667166.db2.gz QXONUIBKLWKJHV-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2c(c1)COCO2 ZINC000459759124 299183717 /nfs/dbraw/zinc/18/37/17/299183717.db2.gz LVOZOOXWUJIQEG-WKPIXPDZSA-N 1 0 304.346 2.740 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCO[C@H]21 ZINC000590756125 398667372 /nfs/dbraw/zinc/66/73/72/398667372.db2.gz JAGQKMWOAUSGLR-COLVAYQJSA-N 1 0 317.345 2.639 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922852 295835428 /nfs/dbraw/zinc/83/54/28/295835428.db2.gz HKZWPPNDEDKQLS-QWRGUYRKSA-N 1 0 315.320 2.556 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000590762868 398669269 /nfs/dbraw/zinc/66/92/69/398669269.db2.gz BZAYIMGIRQQWJZ-KRWDZBQOSA-N 1 0 320.389 2.866 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414958611 295840803 /nfs/dbraw/zinc/84/08/03/295840803.db2.gz PHCKONYQQQDYQF-DOMZBBRYSA-N 1 0 315.373 2.942 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000590781114 398672712 /nfs/dbraw/zinc/67/27/12/398672712.db2.gz UNQZYOWRICAFNB-INIZCTEOSA-N 1 0 324.384 2.799 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000072584609 191198310 /nfs/dbraw/zinc/19/83/10/191198310.db2.gz UXIJLBMKKLJDDB-UHFFFAOYSA-N 1 0 317.389 2.962 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459777636 299189660 /nfs/dbraw/zinc/18/96/60/299189660.db2.gz LEKYHXSKPBVRSY-RNJOBUHISA-N 1 0 303.362 2.700 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593722819 398677246 /nfs/dbraw/zinc/67/72/46/398677246.db2.gz LUIGNLFZQVWKPU-WFASDCNBSA-N 1 0 305.378 2.504 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000173049774 198180850 /nfs/dbraw/zinc/18/08/50/198180850.db2.gz HSGUJYIIZYNLRK-OAHLLOKOSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 ZINC000173362127 198206105 /nfs/dbraw/zinc/20/61/05/198206105.db2.gz CSZUIEGEHCBQKO-VXGBXAGGSA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173407491 198212427 /nfs/dbraw/zinc/21/24/27/198212427.db2.gz UTITXWZQKHESJT-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000045951132 398690140 /nfs/dbraw/zinc/69/01/40/398690140.db2.gz LKKQORYBMGJLHO-STQMWFEESA-N 1 0 320.393 2.979 20 5 DFBDRO CCc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000174241539 198309649 /nfs/dbraw/zinc/30/96/49/198309649.db2.gz SWRGTUKFFIHGBJ-ZDUSSCGKSA-N 1 0 319.405 2.571 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000174243627 198310304 /nfs/dbraw/zinc/31/03/04/198310304.db2.gz AFEARHUNOYGUMM-MRXNPFEDSA-N 1 0 306.362 2.617 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000597857651 398705229 /nfs/dbraw/zinc/70/52/29/398705229.db2.gz HWKVFBWPRDOGRQ-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000174473711 198338199 /nfs/dbraw/zinc/33/81/99/198338199.db2.gz YDBKLXCQPRLRKS-YPMHNXCESA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597861473 398706075 /nfs/dbraw/zinc/70/60/75/398706075.db2.gz UUXQFISVVPXABD-ZDUSSCGKSA-N 1 0 319.405 2.814 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859307 398706204 /nfs/dbraw/zinc/70/62/04/398706204.db2.gz UCMYWRCMGZKVTE-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000590970315 398711213 /nfs/dbraw/zinc/71/12/13/398711213.db2.gz QKBBCOACKVWRRT-HOTGVXAUSA-N 1 0 302.374 2.904 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277091786 213286918 /nfs/dbraw/zinc/28/69/18/213286918.db2.gz UIPNBCQFEKKWBY-LBPRGKRZSA-N 1 0 305.378 2.552 20 5 DFBDRO C[N@@H+](Cc1cccs1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701905 398715703 /nfs/dbraw/zinc/71/57/03/398715703.db2.gz KKNVXYPKAGGVDY-ZDUSSCGKSA-N 1 0 322.386 2.528 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415294527 295875661 /nfs/dbraw/zinc/87/56/61/295875661.db2.gz KUYHQLCDCHLJJB-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415291158 295875445 /nfs/dbraw/zinc/87/54/45/295875445.db2.gz FNLONRJAMVSSAC-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415303559 295876160 /nfs/dbraw/zinc/87/61/60/295876160.db2.gz UXNATSHRCLBAJI-GXTWGEPZSA-N 1 0 320.393 2.945 20 5 DFBDRO C[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921456 398721198 /nfs/dbraw/zinc/72/11/98/398721198.db2.gz FQVHUMAVUKFHAQ-GXTWGEPZSA-N 1 0 319.405 2.687 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415488227 295887130 /nfs/dbraw/zinc/88/71/30/295887130.db2.gz UYVGHFMHJAFTOF-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415483070 295886679 /nfs/dbraw/zinc/88/66/79/295886679.db2.gz LOFBRUSHFPSVLT-MLGOLLRUSA-N 1 0 320.393 2.660 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCCO1 ZINC000594042663 398729829 /nfs/dbraw/zinc/72/98/29/398729829.db2.gz MSUJQEKGOXETHV-SWLSCSKDSA-N 1 0 318.377 2.908 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000415572966 295891430 /nfs/dbraw/zinc/89/14/30/295891430.db2.gz BTQRNQIEJRIEKW-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO C[NH+](C)CCCC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000591152146 398732632 /nfs/dbraw/zinc/73/26/32/398732632.db2.gz LHYZHWMIKCTCJI-UHFFFAOYSA-N 1 0 310.373 2.687 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000594053113 398733065 /nfs/dbraw/zinc/73/30/65/398733065.db2.gz LTAKKDLDPXFRHT-HNNXBMFYSA-N 1 0 319.405 2.801 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594056131 398733851 /nfs/dbraw/zinc/73/38/51/398733851.db2.gz RDPLVQAXFIOTCX-CABCVRRESA-N 1 0 318.377 2.733 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597993919 398735181 /nfs/dbraw/zinc/73/51/81/398735181.db2.gz WBOUGFLFRALJOO-LBPRGKRZSA-N 1 0 307.394 2.788 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000131678479 283094597 /nfs/dbraw/zinc/09/45/97/283094597.db2.gz BMYZQZTYTXICAL-LLVKDONJSA-N 1 0 310.785 2.565 20 5 DFBDRO Cc1c(NC(=O)NCCC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000075987008 191548423 /nfs/dbraw/zinc/54/84/23/191548423.db2.gz GQPNCUSBDVOLRE-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C)C(C)(C)C ZINC000114473941 398745230 /nfs/dbraw/zinc/74/52/30/398745230.db2.gz UUTJZNAZVDFRJD-LLVKDONJSA-N 1 0 323.393 2.956 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000591357455 398752191 /nfs/dbraw/zinc/75/21/91/398752191.db2.gz QYISHWLYVYEGGN-TUAOUCFPSA-N 1 0 306.362 2.858 20 5 DFBDRO COc1ccccc1[C@H]([NH3+])CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000591424416 398758716 /nfs/dbraw/zinc/75/87/16/398758716.db2.gz DVGYNDXZYOQNFF-CYBMUJFWSA-N 1 0 316.361 2.727 20 5 DFBDRO Cc1cc(N2CC[NH2+][C@@H](C(C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591434719 398759914 /nfs/dbraw/zinc/75/99/14/398759914.db2.gz LGRJQCOJFFLTSL-CQSZACIVSA-N 1 0 314.389 2.886 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(CC[NH2+]C2)CC1 ZINC000591440773 398761593 /nfs/dbraw/zinc/76/15/93/398761593.db2.gz VQBVGDHYFSPAKS-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO COc1cccc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591443162 398762412 /nfs/dbraw/zinc/76/24/12/398762412.db2.gz XKUUAKDFPKNVCS-KBPBESRZSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000591443318 398762413 /nfs/dbraw/zinc/76/24/13/398762413.db2.gz ZNZZHBVFLKQTQO-GJZGRUSLSA-N 1 0 318.421 2.823 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594199265 398764168 /nfs/dbraw/zinc/76/41/68/398764168.db2.gz ITCYHRGERCJEHL-HUUCEWRRSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416103045 295921046 /nfs/dbraw/zinc/92/10/46/295921046.db2.gz HQNKOTAQDCZWIE-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000591542654 398771392 /nfs/dbraw/zinc/77/13/92/398771392.db2.gz JTUHKWMDEXZJBW-AWEZNQCLSA-N 1 0 319.405 2.814 20 5 DFBDRO CC1(C)C[C@@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591579970 398773977 /nfs/dbraw/zinc/77/39/77/398773977.db2.gz BRDRJOKVNWACPR-ZIBATOQPSA-N 1 0 307.369 2.607 20 5 DFBDRO CCCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236833979 202031887 /nfs/dbraw/zinc/03/18/87/202031887.db2.gz RGXLEPQMNKSEFT-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000591752065 398783817 /nfs/dbraw/zinc/78/38/17/398783817.db2.gz SPQAVUILYNRJIO-AWEZNQCLSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761294 398784985 /nfs/dbraw/zinc/78/49/85/398784985.db2.gz HBLDDWSRTSJQOY-WFASDCNBSA-N 1 0 308.378 2.503 20 5 DFBDRO CCOc1cc(CN2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000276940893 213190834 /nfs/dbraw/zinc/19/08/34/213190834.db2.gz SGPJRULZMZFNKU-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCOCC(F)(F)F)cc1 ZINC000049312418 398793631 /nfs/dbraw/zinc/79/36/31/398793631.db2.gz UBZJMSBBHHZHHM-UHFFFAOYSA-N 1 0 306.284 2.696 20 5 DFBDRO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135233985 283212103 /nfs/dbraw/zinc/21/21/03/283212103.db2.gz COVDWTZDLKPKBK-HNNXBMFYSA-N 1 0 322.405 2.735 20 5 DFBDRO CCOc1cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926527 213181102 /nfs/dbraw/zinc/18/11/02/213181102.db2.gz QAKNIFLWPGXDBE-OAHLLOKOSA-N 1 0 321.421 2.767 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237199469 202186619 /nfs/dbraw/zinc/18/66/19/202186619.db2.gz JUFKEBALFNBEGE-INIZCTEOSA-N 1 0 316.357 2.735 20 5 DFBDRO Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000594501233 398810923 /nfs/dbraw/zinc/81/09/23/398810923.db2.gz XBQBRJMQTVBKCE-HNNXBMFYSA-N 1 0 300.362 2.685 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000179411666 199031255 /nfs/dbraw/zinc/03/12/55/199031255.db2.gz ZBNXHCXPXGNWOB-LBPRGKRZSA-N 1 0 323.393 2.513 20 5 DFBDRO C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594508608 398812864 /nfs/dbraw/zinc/81/28/64/398812864.db2.gz DNLGJJXORAGKDH-XQLPTFJDSA-N 1 0 321.421 2.743 20 5 DFBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508522 398812877 /nfs/dbraw/zinc/81/28/77/398812877.db2.gz COCOZCVNFPWXDC-KBXIAJHMSA-N 1 0 321.421 2.743 20 5 DFBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000179663408 199072751 /nfs/dbraw/zinc/07/27/51/199072751.db2.gz IBPRUJCFHGBXIY-CYBMUJFWSA-N 1 0 318.377 2.929 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261905821 291121619 /nfs/dbraw/zinc/12/16/19/291121619.db2.gz XHIASMGDBURPAC-NWDGAFQWSA-N 1 0 319.405 2.702 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000075685351 398817855 /nfs/dbraw/zinc/81/78/55/398817855.db2.gz XOXZJHIZSXZOMM-QWHCGFSZSA-N 1 0 305.378 2.633 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000594546504 398818729 /nfs/dbraw/zinc/81/87/29/398818729.db2.gz MWTSDLIWDSXSNS-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1c(CN2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051953318 398828041 /nfs/dbraw/zinc/82/80/41/398828041.db2.gz NAGXRZWSNUNHII-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc2sccn21 ZINC000594598029 398827421 /nfs/dbraw/zinc/82/74/21/398827421.db2.gz FYSRZGLFXOUPRT-GHMZBOCLSA-N 1 0 321.406 2.733 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)[NH2+]1 ZINC000598536824 398828990 /nfs/dbraw/zinc/82/89/90/398828990.db2.gz YVXVDAQCZINMJS-CMPLNLGQSA-N 1 0 317.345 2.554 20 5 DFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598561440 398832126 /nfs/dbraw/zinc/83/21/26/398832126.db2.gz QYCDDQMCOIAUFI-LBPRGKRZSA-N 1 0 323.418 2.508 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000052404252 398839132 /nfs/dbraw/zinc/83/91/32/398839132.db2.gz WQKGCWYSACVSDY-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594693657 398843130 /nfs/dbraw/zinc/84/31/30/398843130.db2.gz REHNIMIRZCWFRB-ZDUSSCGKSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1ccnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000594693068 398843294 /nfs/dbraw/zinc/84/32/94/398843294.db2.gz KCOUGYKFHILDMX-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000276682005 213042849 /nfs/dbraw/zinc/04/28/49/213042849.db2.gz FOSBBJMPNFQVFG-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC1CC[NH+](CC2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000052472819 398841675 /nfs/dbraw/zinc/84/16/75/398841675.db2.gz CVKHIHZRINEUGV-UHFFFAOYSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180188571 199128885 /nfs/dbraw/zinc/12/88/85/199128885.db2.gz XSXPGHXPALJFCI-INIZCTEOSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000594697846 398844668 /nfs/dbraw/zinc/84/46/68/398844668.db2.gz SNAWLLCXEKYLJP-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180259826 199138158 /nfs/dbraw/zinc/13/81/58/199138158.db2.gz YTFKRUSXWCAWEO-XJKSGUPXSA-N 1 0 308.378 2.831 20 5 DFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000594738059 398852401 /nfs/dbraw/zinc/85/24/01/398852401.db2.gz CRPQWIXFAGOGAF-QZTJIDSGSA-N 1 0 311.385 2.830 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH+]1CCCC1 ZINC000180337586 199146946 /nfs/dbraw/zinc/14/69/46/199146946.db2.gz ZLEGRMLAWOUUGQ-UHFFFAOYSA-N 1 0 319.405 2.736 20 5 DFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000052611185 398847805 /nfs/dbraw/zinc/84/78/05/398847805.db2.gz VIFFHWNDZYBIAM-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000152860121 283342504 /nfs/dbraw/zinc/34/25/04/283342504.db2.gz VXTCQDKJBPAMPD-LLVKDONJSA-N 1 0 304.350 2.578 20 5 DFBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)CC(C)(C)[NH3+] ZINC000594734587 398851302 /nfs/dbraw/zinc/85/13/02/398851302.db2.gz BYUVIPQCEJSZHL-UHFFFAOYSA-N 1 0 320.418 2.887 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435657 199158804 /nfs/dbraw/zinc/15/88/04/199158804.db2.gz AYDPCRNKRYXPBX-DVOMOZLQSA-N 1 0 319.405 2.940 20 5 DFBDRO C[NH+](C)CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000076485787 398858361 /nfs/dbraw/zinc/85/83/61/398858361.db2.gz UCSYEGYOEGLPCJ-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO COC[C@@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468000900 299275346 /nfs/dbraw/zinc/27/53/46/299275346.db2.gz AIIWAGLSAJLFNO-QGZVFWFLSA-N 1 0 314.385 2.985 20 5 DFBDRO O=[N+]([O-])c1cccc(Br)c1OCC1CC[NH2+]CC1 ZINC000133526233 398862305 /nfs/dbraw/zinc/86/23/05/398862305.db2.gz JMVCALPNCRKFLH-UHFFFAOYSA-N 1 0 315.167 2.736 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000153056068 283350916 /nfs/dbraw/zinc/35/09/16/283350916.db2.gz DDZXWONEGPOAPZ-BLLLJJGKSA-N 1 0 321.421 2.984 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053365400 398869450 /nfs/dbraw/zinc/86/94/50/398869450.db2.gz NBMKSGQDSLRRIR-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(C)C ZINC000053363681 398869487 /nfs/dbraw/zinc/86/94/87/398869487.db2.gz OCAFRBLFMUZHQQ-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594956559 398881365 /nfs/dbraw/zinc/88/13/65/398881365.db2.gz LKPGAODXDCMFKS-CQSZACIVSA-N 1 0 321.421 2.956 20 5 DFBDRO COC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594955770 398881381 /nfs/dbraw/zinc/88/13/81/398881381.db2.gz ARBYMGGMDYPVSU-MQDFFIGUSA-N 1 0 320.389 2.639 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cc2n(n1)CCC2 ZINC000594945514 398879119 /nfs/dbraw/zinc/87/91/19/398879119.db2.gz ZIIMGLWRUULLQY-UHFFFAOYSA-N 1 0 320.780 2.723 20 5 DFBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594950127 398879452 /nfs/dbraw/zinc/87/94/52/398879452.db2.gz IZIKUHLLOCXYMU-LOSYYMKXSA-N 1 0 320.389 2.639 20 5 DFBDRO COC[C@H](CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000594956726 398881269 /nfs/dbraw/zinc/88/12/69/398881269.db2.gz ZRJUKANRTQFMPA-OVHOFWQVSA-N 1 0 308.378 2.639 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000139184902 398882063 /nfs/dbraw/zinc/88/20/63/398882063.db2.gz XREWLKCFFRUYEB-CYBMUJFWSA-N 1 0 319.405 2.716 20 5 DFBDRO COc1ccc(C[NH2+]CCc2cnccc2C)cc1[N+](=O)[O-] ZINC000594965737 398883045 /nfs/dbraw/zinc/88/30/45/398883045.db2.gz CZOYCFAABVSEAC-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO CNC(=O)CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000594996516 398888647 /nfs/dbraw/zinc/88/86/47/398888647.db2.gz OQSKKVUMAMSITR-UHFFFAOYSA-N 1 0 319.405 2.771 20 5 DFBDRO COc1cc(C[NH2+]CCCc2ccco2)c([N+](=O)[O-])cc1OC ZINC000594997896 398888439 /nfs/dbraw/zinc/88/84/39/398888439.db2.gz QUCJZPBLEJWJOT-UHFFFAOYSA-N 1 0 320.345 2.927 20 5 DFBDRO Cc1cncc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000594994237 398888457 /nfs/dbraw/zinc/88/84/57/398888457.db2.gz INAYUDIGSLPDAZ-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)cc1OC(F)F ZINC000180965477 199234390 /nfs/dbraw/zinc/23/43/90/199234390.db2.gz YQXVYPKNVWDMMF-UHFFFAOYSA-N 1 0 301.293 2.704 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN1Cc1ccccc1 ZINC000594998558 398888765 /nfs/dbraw/zinc/88/87/65/398888765.db2.gz JDWQEKYGRMPSBU-KRWDZBQOSA-N 1 0 311.385 2.959 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000595001710 398889415 /nfs/dbraw/zinc/88/94/15/398889415.db2.gz WEOUAVQLNRZMSW-PXAZEXFGSA-N 1 0 318.348 2.988 20 5 DFBDRO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595001158 398889598 /nfs/dbraw/zinc/88/95/98/398889598.db2.gz REVCKEGNGJTBGB-UHFFFAOYSA-N 1 0 305.378 2.510 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004659 398890251 /nfs/dbraw/zinc/89/02/51/398890251.db2.gz QXAAWBFYBCSFHC-OCCSQVGLSA-N 1 0 307.394 2.738 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCn1ccnc1 ZINC000181112602 199253720 /nfs/dbraw/zinc/25/37/20/199253720.db2.gz JROBNKZEHPIZIV-UHFFFAOYSA-N 1 0 318.377 2.582 20 5 DFBDRO CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008197 398891084 /nfs/dbraw/zinc/89/10/84/398891084.db2.gz BUTWJPOBSRHMLF-QWHCGFSZSA-N 1 0 307.394 2.596 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000595015331 398891756 /nfs/dbraw/zinc/89/17/56/398891756.db2.gz UBOIJQKZBZNPCT-LLVKDONJSA-N 1 0 323.393 2.559 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000175058275 283397174 /nfs/dbraw/zinc/39/71/74/283397174.db2.gz QMTDSBSYFFVVEA-QWHCGFSZSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000595015976 398892532 /nfs/dbraw/zinc/89/25/32/398892532.db2.gz FRXKYJPOWWSUBW-CHWSQXEVSA-N 1 0 307.394 2.596 20 5 DFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914142 398892995 /nfs/dbraw/zinc/89/29/95/398892995.db2.gz ZVCRPYJCWJQUEU-NSHDSACASA-N 1 0 314.773 2.743 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598916495 398892999 /nfs/dbraw/zinc/89/29/99/398892999.db2.gz ZVMKBAFQSZXJMC-IUCAKERBSA-N 1 0 312.757 2.510 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000595026561 398893931 /nfs/dbraw/zinc/89/39/31/398893931.db2.gz PPWQLSOSVFQDKN-HUBLWGQQSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000595029858 398895122 /nfs/dbraw/zinc/89/51/22/398895122.db2.gz ZROXAEHQVFBVQI-OUCADQQQSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000595033393 398895192 /nfs/dbraw/zinc/89/51/92/398895192.db2.gz PRKZEMILAQQDEN-YWPYICTPSA-N 1 0 308.378 2.805 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000276466688 212899526 /nfs/dbraw/zinc/89/95/26/212899526.db2.gz YGQXQUREDSFPNW-DHZHZOJOSA-N 1 0 319.405 2.798 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCc1nnc(C(C)C)[nH]1 ZINC000595042531 398896788 /nfs/dbraw/zinc/89/67/88/398896788.db2.gz SKRJHWJKALYFSU-JTQLQIEISA-N 1 0 319.365 2.696 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000595049532 398898337 /nfs/dbraw/zinc/89/83/37/398898337.db2.gz CSSWNZNKLKNJBS-GFCCVEGCSA-N 1 0 316.361 2.595 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000595049973 398898448 /nfs/dbraw/zinc/89/84/48/398898448.db2.gz DPXFQAPUWHZELE-RYUDHWBXSA-N 1 0 318.377 2.619 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595056335 398898759 /nfs/dbraw/zinc/89/87/59/398898759.db2.gz FHBZCWJZXVSIID-SMDDNHRTSA-N 1 0 308.378 2.805 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595060269 398899719 /nfs/dbraw/zinc/89/97/19/398899719.db2.gz LYFOKQGFMRSZBG-DUVNUKRYSA-N 1 0 308.378 2.605 20 5 DFBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1(CO)CC1 ZINC000595067996 398900983 /nfs/dbraw/zinc/90/09/83/398900983.db2.gz MRVGBAZJOBIASA-DOMZBBRYSA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCO[C@H]1CC1(F)F)CCC2 ZINC000595070840 398902006 /nfs/dbraw/zinc/90/20/06/398902006.db2.gz ZTMJXLMAXRIPOL-KGLIPLIRSA-N 1 0 312.316 2.986 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000595069149 398902183 /nfs/dbraw/zinc/90/21/83/398902183.db2.gz NCSNBGJQWNWIRA-DYEKYZERSA-N 1 0 315.377 2.803 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186841582 200020034 /nfs/dbraw/zinc/02/00/34/200020034.db2.gz WEHZOTMMVXENTH-UHFFFAOYSA-N 1 0 322.430 2.735 20 5 DFBDRO Cc1cncc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000595089736 398903995 /nfs/dbraw/zinc/90/39/95/398903995.db2.gz KCUXGSVEJATYFP-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccoc2)n1 ZINC000595092500 398904058 /nfs/dbraw/zinc/90/40/58/398904058.db2.gz YAGNOYAHMGSXFI-UONOGXRCSA-N 1 0 304.350 2.700 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000598989580 398904250 /nfs/dbraw/zinc/90/42/50/398904250.db2.gz MQAULNXOWOGYEL-GFCCVEGCSA-N 1 0 314.267 2.685 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280987294 216005363 /nfs/dbraw/zinc/00/53/63/216005363.db2.gz JLIRYGIPZNRUAC-GTJPDFRWSA-N 1 0 310.419 2.855 20 5 DFBDRO CCCN1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096835 398904703 /nfs/dbraw/zinc/90/47/03/398904703.db2.gz MUWCASYUZAMJNT-HOCLYGCPSA-N 1 0 305.422 2.990 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000595102473 398906279 /nfs/dbraw/zinc/90/62/79/398906279.db2.gz INHBCMIXCZFJET-QFXNTCPOSA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)o1 ZINC000599006341 398906874 /nfs/dbraw/zinc/90/68/74/398906874.db2.gz HFVQHOFIYDOHTR-TXEJJXNPSA-N 1 0 302.330 2.715 20 5 DFBDRO COC(=O)[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470179528 299293098 /nfs/dbraw/zinc/29/30/98/299293098.db2.gz YLGYZPZEZFVJOX-BMQCOBNYSA-N 1 0 318.373 2.883 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599011852 398907341 /nfs/dbraw/zinc/90/73/41/398907341.db2.gz AFWRFUHGIUVPMK-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)CC(F)F ZINC000599024013 398909857 /nfs/dbraw/zinc/90/98/57/398909857.db2.gz XIPJJGSYPSEHGL-WQLSENKSSA-N 1 0 313.348 2.785 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](CC2CC2)CC1 ZINC000599023493 398909298 /nfs/dbraw/zinc/90/92/98/398909298.db2.gz IFTVYDAAWGVHOH-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595232068 398911509 /nfs/dbraw/zinc/91/15/09/398911509.db2.gz SSWJJHSYLIBKQL-SNVBAGLBSA-N 1 0 308.382 2.622 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCCOC2)n1 ZINC000599054580 398913842 /nfs/dbraw/zinc/91/38/42/398913842.db2.gz CCIDRCSSRFIVEA-RRFJBIMHSA-N 1 0 322.409 2.681 20 5 DFBDRO CCOC(=O)CCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058440 398914442 /nfs/dbraw/zinc/91/44/42/398914442.db2.gz UYHITMZNRILORN-UHFFFAOYSA-N 1 0 303.318 2.532 20 5 DFBDRO CC[C@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595269221 398914707 /nfs/dbraw/zinc/91/47/07/398914707.db2.gz QYDPACDMCUADMM-CABCVRRESA-N 1 0 322.409 2.719 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000187908311 200175342 /nfs/dbraw/zinc/17/53/42/200175342.db2.gz XPCDFYVGEOTKJA-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO CO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000595290929 398917030 /nfs/dbraw/zinc/91/70/30/398917030.db2.gz NVGJFJZCNUSQJC-KRWDZBQOSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000237549866 202279732 /nfs/dbraw/zinc/27/97/32/202279732.db2.gz ZKIOUNUHZKUHEI-CYBMUJFWSA-N 1 0 307.394 2.990 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000595297206 398918957 /nfs/dbraw/zinc/91/89/57/398918957.db2.gz CGFSMXDZRWTRQD-UHFFFAOYSA-N 1 0 312.341 2.755 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599092450 398920326 /nfs/dbraw/zinc/92/03/26/398920326.db2.gz HOYBAOAHNLRILT-SWLSCSKDSA-N 1 0 317.389 2.707 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)CC(F)F ZINC000599089811 398919470 /nfs/dbraw/zinc/91/94/70/398919470.db2.gz OJRUGBZIQSAYOH-LBPRGKRZSA-N 1 0 315.364 2.702 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCN(C)CC(F)F)cccc1[N+](=O)[O-] ZINC000599090040 398919483 /nfs/dbraw/zinc/91/94/83/398919483.db2.gz SLQWIOKAZKNNIZ-NSHDSACASA-N 1 0 301.337 2.751 20 5 DFBDRO C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000188247325 200215726 /nfs/dbraw/zinc/21/57/26/200215726.db2.gz GZNCXEGRDFTYHO-WBVHZDCISA-N 1 0 314.389 2.891 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)cccc1[N+](=O)[O-] ZINC000599092061 398919946 /nfs/dbraw/zinc/91/99/46/398919946.db2.gz DTWJLHBWMLRYHE-IUODEOHRSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000237778328 202352276 /nfs/dbraw/zinc/35/22/76/202352276.db2.gz BQWBCOIQATXJIW-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333470 398923667 /nfs/dbraw/zinc/92/36/67/398923667.db2.gz UHVCFRWCZMTDPF-AWEZNQCLSA-N 1 0 321.396 2.898 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188689966 200288478 /nfs/dbraw/zinc/28/84/78/200288478.db2.gz MCUTYORGOUBGAH-LBPRGKRZSA-N 1 0 323.393 2.717 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)F ZINC000188751236 200299560 /nfs/dbraw/zinc/29/95/60/200299560.db2.gz UALIWLPTKSJMRV-NSHDSACASA-N 1 0 302.321 2.787 20 5 DFBDRO CCCN(CCC[NH+](C)C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287729136 219697477 /nfs/dbraw/zinc/69/74/77/219697477.db2.gz LPKLKLNJFRVRSM-UHFFFAOYSA-N 1 0 323.422 2.768 20 5 DFBDRO C[N@@H+]1CCCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000599138637 398927251 /nfs/dbraw/zinc/92/72/51/398927251.db2.gz IBPCJMWWFXFGDP-SNVBAGLBSA-N 1 0 321.406 2.743 20 5 DFBDRO Cc1noc(CN(C)[C@@H](C)[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381125 398929855 /nfs/dbraw/zinc/92/98/55/398929855.db2.gz JKOFHHIOVFEHHP-SMDDNHRTSA-N 1 0 317.345 2.715 20 5 DFBDRO COc1ccc2c(c1)CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])CC2 ZINC000595391108 398931417 /nfs/dbraw/zinc/93/14/17/398931417.db2.gz DUZJMVSOQVZMSU-UHFFFAOYSA-N 1 0 317.345 2.501 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189168178 200359165 /nfs/dbraw/zinc/35/91/65/200359165.db2.gz QHJIOYSICQUMQM-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cn[nH]c1)CCCC2 ZINC000417325941 296010207 /nfs/dbraw/zinc/01/02/07/296010207.db2.gz CMFLXHXYPKPGRG-MRXNPFEDSA-N 1 0 300.362 2.918 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000189310893 200380170 /nfs/dbraw/zinc/38/01/70/200380170.db2.gz JVRAQMAUAZZKRY-SCRDCRAPSA-N 1 0 308.378 2.805 20 5 DFBDRO CN(C)C(=O)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346811 296012105 /nfs/dbraw/zinc/01/21/05/296012105.db2.gz WKBTTZOVLQKSKU-MRXNPFEDSA-N 1 0 319.405 2.820 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)C1CC1)CCCC2 ZINC000417351370 296012846 /nfs/dbraw/zinc/01/28/46/296012846.db2.gz RPLLMZOSPGBWQN-PBHICJAKSA-N 1 0 304.390 2.970 20 5 DFBDRO COC[C@@](C)(O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351199 296012894 /nfs/dbraw/zinc/01/28/94/296012894.db2.gz RHLYQTWQUBUVJL-SJORKVTESA-N 1 0 322.405 2.739 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424201 398935530 /nfs/dbraw/zinc/93/55/30/398935530.db2.gz ULKDHIOTESVIJX-STQMWFEESA-N 1 0 309.366 2.530 20 5 DFBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000595485717 398948458 /nfs/dbraw/zinc/94/84/58/398948458.db2.gz WVURRMLAPSUION-UHFFFAOYSA-N 1 0 300.362 2.676 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000078332758 398948752 /nfs/dbraw/zinc/94/87/52/398948752.db2.gz VSZPCFPQGRQSNQ-MFKMUULPSA-N 1 0 312.801 2.810 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281302844 216223122 /nfs/dbraw/zinc/22/31/22/216223122.db2.gz DGQSHSITYFLPMV-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(CCO)CCCC2)cc1 ZINC000595508628 398953047 /nfs/dbraw/zinc/95/30/47/398953047.db2.gz HZFMUIGAABHTDQ-UHFFFAOYSA-N 1 0 308.378 2.649 20 5 DFBDRO C[C@@H]1CN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595511222 398954015 /nfs/dbraw/zinc/95/40/15/398954015.db2.gz POCRUSXJMDCWOP-OKILXGFUSA-N 1 0 321.421 2.529 20 5 DFBDRO Cc1noc(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC000595523103 398956887 /nfs/dbraw/zinc/95/68/87/398956887.db2.gz IBWUZCKTHGFIPI-AWEZNQCLSA-N 1 0 311.382 2.558 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000078455106 398957284 /nfs/dbraw/zinc/95/72/84/398957284.db2.gz NDXLVTAUCUEPCW-NSHDSACASA-N 1 0 323.422 2.615 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600133824 398962979 /nfs/dbraw/zinc/96/29/79/398962979.db2.gz BYKLRCWUAMARNR-JTQLQIEISA-N 1 0 300.305 2.997 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000078559672 398965492 /nfs/dbraw/zinc/96/54/92/398965492.db2.gz GMHSAGSBQVOFQF-CQSZACIVSA-N 1 0 319.405 2.966 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000078559671 398965619 /nfs/dbraw/zinc/96/56/19/398965619.db2.gz GMHSAGSBQVOFQF-AWEZNQCLSA-N 1 0 319.405 2.966 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000192747106 200934579 /nfs/dbraw/zinc/93/45/79/200934579.db2.gz FQBROHPPUUAIBC-CABCVRRESA-N 1 0 305.378 2.694 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000613390661 398968603 /nfs/dbraw/zinc/96/86/03/398968603.db2.gz WVMIKDCAEQYELA-LRDDRELGSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1c(NC(=O)NC2(C[NH+](C)C)CCC2)cccc1[N+](=O)[O-] ZINC000281439620 216299919 /nfs/dbraw/zinc/29/99/19/216299919.db2.gz ROLNLTIIFQKZHC-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCCO2 ZINC000292852695 223275059 /nfs/dbraw/zinc/27/50/59/223275059.db2.gz ABEPPLJAKUOLSX-CYBMUJFWSA-N 1 0 306.362 2.885 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000282147652 283665998 /nfs/dbraw/zinc/66/59/98/283665998.db2.gz FIJIZKRSLPDVEJ-UHFFFAOYSA-N 1 0 304.394 2.632 20 5 DFBDRO Cc1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000600165996 398981333 /nfs/dbraw/zinc/98/13/33/398981333.db2.gz SZFBJVPAEMVANV-UHFFFAOYSA-N 1 0 300.318 2.705 20 5 DFBDRO O=C(CC[NH+]1CCCCCC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000194435966 201227633 /nfs/dbraw/zinc/22/76/33/201227633.db2.gz LIFULPLLANKFNV-UHFFFAOYSA-N 1 0 309.341 2.939 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000194766939 201285788 /nfs/dbraw/zinc/28/57/88/201285788.db2.gz HXHCEARTMRQAIH-AGUYFDCRSA-N 1 0 317.389 2.648 20 5 DFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595592504 398989850 /nfs/dbraw/zinc/98/98/50/398989850.db2.gz FGPCJBOQVRMFOG-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194706736 201275330 /nfs/dbraw/zinc/27/53/30/201275330.db2.gz RYBDMDBQACBUSI-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CCC[C@@]1(COC)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000194922707 201311842 /nfs/dbraw/zinc/31/18/42/201311842.db2.gz RSROXSKRHAAEJK-IRXDYDNUSA-N 1 0 322.405 2.909 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000194943450 201315661 /nfs/dbraw/zinc/31/56/61/201315661.db2.gz UPRBVQSJAVPDEU-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000417844025 296057204 /nfs/dbraw/zinc/05/72/04/296057204.db2.gz HIDDEJZVLHVXED-LMWSTFAQSA-N 1 0 320.393 2.533 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595638997 399014585 /nfs/dbraw/zinc/01/45/85/399014585.db2.gz QRXJUOZYJOZMEZ-GXTWGEPZSA-N 1 0 310.394 2.749 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417981958 296069027 /nfs/dbraw/zinc/06/90/27/296069027.db2.gz MSYKVBAOTCZDKB-MBNYWOFBSA-N 1 0 320.393 2.567 20 5 DFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000249771117 283810981 /nfs/dbraw/zinc/81/09/81/283810981.db2.gz BPYOPPGKWYDQII-FVQBIDKESA-N 1 0 304.390 2.665 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000057156395 399020582 /nfs/dbraw/zinc/02/05/82/399020582.db2.gz PJVDSYMCZJWQOR-ZDUSSCGKSA-N 1 0 307.394 2.835 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000618152124 399021644 /nfs/dbraw/zinc/02/16/44/399021644.db2.gz LFLVDKBWTDWQBF-LBPRGKRZSA-N 1 0 304.394 2.530 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599625047 399032340 /nfs/dbraw/zinc/03/23/40/399032340.db2.gz LBXCBNJRTZYZTJ-IATRGZMQSA-N 1 0 308.378 2.765 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000599625734 399033110 /nfs/dbraw/zinc/03/31/10/399033110.db2.gz NPPUXTZNTNMLBL-BYYOYISRSA-N 1 0 312.341 2.644 20 5 DFBDRO C[C@@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000599632978 399036653 /nfs/dbraw/zinc/03/66/53/399036653.db2.gz IKJHSHUVTUHVTO-AWEZNQCLSA-N 1 0 321.421 2.905 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595695541 399039603 /nfs/dbraw/zinc/03/96/03/399039603.db2.gz ZDLTVFGTTMJHAW-OAHLLOKOSA-N 1 0 306.341 2.917 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699837 399042883 /nfs/dbraw/zinc/04/28/83/399042883.db2.gz ONMUCQOOBPVRLF-ZFWWWQNUSA-N 1 0 322.405 2.976 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057464613 399046507 /nfs/dbraw/zinc/04/65/07/399046507.db2.gz CWHFOOAZZNEJIE-CYBMUJFWSA-N 1 0 322.409 2.687 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H]1C[C@@H](O)C1 ZINC000599653597 399046885 /nfs/dbraw/zinc/04/68/85/399046885.db2.gz CSWULZYQRDOTBR-WVSHTKLVSA-N 1 0 318.295 2.816 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@@H]21 ZINC000599656173 399048435 /nfs/dbraw/zinc/04/84/35/399048435.db2.gz ZZGYDZOFNVKHEA-BZUAXINKSA-N 1 0 318.373 2.758 20 5 DFBDRO CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418420768 296094647 /nfs/dbraw/zinc/09/46/47/296094647.db2.gz AHZLBHUSSSACKE-CYBMUJFWSA-N 1 0 322.409 2.503 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000595729075 399058488 /nfs/dbraw/zinc/05/84/88/399058488.db2.gz PSWJGEFRKJBKDS-ZENOOKHLSA-N 1 0 317.389 2.565 20 5 DFBDRO CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418434786 296095835 /nfs/dbraw/zinc/09/58/35/296095835.db2.gz FSHHNVWXQVBJBT-GFCCVEGCSA-N 1 0 322.409 2.503 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000595742293 399065908 /nfs/dbraw/zinc/06/59/08/399065908.db2.gz YPHFWZZBKRSESA-OAHLLOKOSA-N 1 0 319.405 2.659 20 5 DFBDRO C[NH+](C)CCn1cc(Nc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000057854554 399066903 /nfs/dbraw/zinc/06/69/03/399066903.db2.gz UDFSWMQKNVYSSU-UHFFFAOYSA-N 1 0 309.757 2.750 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595756768 399072734 /nfs/dbraw/zinc/07/27/34/399072734.db2.gz WPTHSMPRSRPVJQ-QWHCGFSZSA-N 1 0 323.368 2.993 20 5 DFBDRO CC(C)(CO)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000291036955 283998405 /nfs/dbraw/zinc/99/84/05/283998405.db2.gz YVEDGMCXQQTPOJ-BIENSFFJSA-N 1 0 304.390 2.995 20 5 DFBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000595777031 399081928 /nfs/dbraw/zinc/08/19/28/399081928.db2.gz FFCSDXPHYUHCSC-KGLIPLIRSA-N 1 0 322.409 2.507 20 5 DFBDRO O=C1CCCC12CCN(Cc1cc([O-])ccc1[N+](=O)[O-])CC2 ZINC000595815035 399096190 /nfs/dbraw/zinc/09/61/90/399096190.db2.gz CUSMNEPPNGGVSB-UHFFFAOYSA-N 1 0 304.346 2.636 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000282197403 216813860 /nfs/dbraw/zinc/81/38/60/216813860.db2.gz LCQSQWVKSIUNGK-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419338918 296135652 /nfs/dbraw/zinc/13/56/52/296135652.db2.gz CMFXCPWGGREJDP-QJPTWQEYSA-N 1 0 321.377 2.518 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595833739 399105751 /nfs/dbraw/zinc/10/57/51/399105751.db2.gz LNDLSIKRIBTOGT-CQSZACIVSA-N 1 0 317.389 2.706 20 5 DFBDRO CC[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000261870485 203138633 /nfs/dbraw/zinc/13/86/33/203138633.db2.gz QLYSOWBPBULATO-DOMZBBRYSA-N 1 0 305.378 2.552 20 5 DFBDRO CCc1ccc(C(=O)N2CCC(CC[NH2+]C)CC2)cc1[N+](=O)[O-] ZINC000261984020 203166931 /nfs/dbraw/zinc/16/69/31/203166931.db2.gz DAWVUHQWVOCYBW-UHFFFAOYSA-N 1 0 319.405 2.619 20 5 DFBDRO CN(CCOc1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000419372159 296137139 /nfs/dbraw/zinc/13/71/39/296137139.db2.gz GDVIKMNLIHMXMY-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419374683 296137787 /nfs/dbraw/zinc/13/77/87/296137787.db2.gz QITNBGLMJZPNNI-RWMBFGLXSA-N 1 0 305.378 2.818 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000059386355 399110756 /nfs/dbraw/zinc/11/07/56/399110756.db2.gz LEPZUHGTONQNFH-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683700 399116504 /nfs/dbraw/zinc/11/65/04/399116504.db2.gz XSSLOKXUOSVHBN-SJXGUFTOSA-N 1 0 303.406 2.646 20 5 DFBDRO C[N@@H+]1CCCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000600683684 399116817 /nfs/dbraw/zinc/11/68/17/399116817.db2.gz QWGCKQLUFUBOHQ-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO CCCCC[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869440 399118045 /nfs/dbraw/zinc/11/80/45/399118045.db2.gz AWHLPJZWJIOZLX-ZBFHGGJFSA-N 1 0 324.425 2.587 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600707129 399120861 /nfs/dbraw/zinc/12/08/61/399120861.db2.gz GUHZOOMECOWUQA-ARFHVFGLSA-N 1 0 303.406 2.646 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000093614700 193274340 /nfs/dbraw/zinc/27/43/40/193274340.db2.gz WZEVCVLUKZGRFF-INCBCAAFSA-N 1 0 301.390 2.777 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595898175 399127772 /nfs/dbraw/zinc/12/77/72/399127772.db2.gz FRZSGBYFIUFHKK-KYEGSCETSA-N 1 0 318.373 2.833 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000060404789 399129269 /nfs/dbraw/zinc/12/92/69/399129269.db2.gz PCYBTDKRNDEFGV-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000094371416 193366544 /nfs/dbraw/zinc/36/65/44/193366544.db2.gz RSWJCXUQJCTDMV-HIFRSBDPSA-N 1 0 308.403 2.739 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@]2(CCSC2)C1 ZINC000094371415 193366624 /nfs/dbraw/zinc/36/66/24/193366624.db2.gz RSWJCXUQJCTDMV-DZGCQCFKSA-N 1 0 308.403 2.739 20 5 DFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H](C[NH3+])C(F)(F)F ZINC000595907068 399130647 /nfs/dbraw/zinc/13/06/47/399130647.db2.gz FLYBPPPORXYABK-JTQLQIEISA-N 1 0 311.691 2.570 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000595910290 399131854 /nfs/dbraw/zinc/13/18/54/399131854.db2.gz SSXSPTGOHWTLBX-LBPRGKRZSA-N 1 0 305.378 2.820 20 5 DFBDRO CS[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340752135 284210348 /nfs/dbraw/zinc/21/03/48/284210348.db2.gz IURXWZDIWMDNEU-QWHCGFSZSA-N 1 0 315.826 2.730 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420114272 296158729 /nfs/dbraw/zinc/15/87/29/296158729.db2.gz DGTBEECRCRSIDY-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO Cc1ccc(NC(=O)c2cc3c(s2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000595924288 399138233 /nfs/dbraw/zinc/13/82/33/399138233.db2.gz KNTNLZVZHMOMOY-UHFFFAOYSA-N 1 0 317.370 2.863 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000420156250 296159944 /nfs/dbraw/zinc/15/99/44/296159944.db2.gz FILJACJAPJULTB-NXEZZACHSA-N 1 0 315.320 2.996 20 5 DFBDRO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000420181003 296160777 /nfs/dbraw/zinc/16/07/77/296160777.db2.gz CYWAQNWZQQCNSN-UHFFFAOYSA-N 1 0 315.320 2.632 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000600762964 399138486 /nfs/dbraw/zinc/13/84/86/399138486.db2.gz YGYALYAGCAENCB-KBPBESRZSA-N 1 0 320.389 2.504 20 5 DFBDRO Cc1cc(NCC[C@H]2CC[NH2+]C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420184222 296160979 /nfs/dbraw/zinc/16/09/79/296160979.db2.gz IDROOHOPWRPDEN-GFCCVEGCSA-N 1 0 300.362 2.863 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000420188748 296161282 /nfs/dbraw/zinc/16/12/82/296161282.db2.gz OSLCGEXGQRJWTJ-GXTWGEPZSA-N 1 0 312.373 2.830 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420200565 296161991 /nfs/dbraw/zinc/16/19/91/296161991.db2.gz XLGIRRYFFNUGQR-MRVPVSSYSA-N 1 0 304.177 2.947 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000420214397 296162783 /nfs/dbraw/zinc/16/27/83/296162783.db2.gz ZVNRFXKWJRTLQF-CYBMUJFWSA-N 1 0 322.409 2.662 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420215584 296162870 /nfs/dbraw/zinc/16/28/70/296162870.db2.gz KUORLHLDJJVMOC-CQSZACIVSA-N 1 0 304.394 2.575 20 5 DFBDRO CC(=O)c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000420215637 296162880 /nfs/dbraw/zinc/16/28/80/296162880.db2.gz LFHURJKUSIPZQJ-INIZCTEOSA-N 1 0 317.389 2.766 20 5 DFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]12 ZINC000420226374 296163613 /nfs/dbraw/zinc/16/36/13/296163613.db2.gz GNZRQIXXPGWFHE-QLFBSQMISA-N 1 0 324.384 2.830 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC2(C1)CC[NH2+]CC2 ZINC000420225403 296163655 /nfs/dbraw/zinc/16/36/55/296163655.db2.gz IODAJBCRHMVICU-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000420232954 296164475 /nfs/dbraw/zinc/16/44/75/296164475.db2.gz MILRXWBIHKYMFR-LBPRGKRZSA-N 1 0 300.362 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2[NH2+]CCc3ccccc32)n1 ZINC000420254398 296166177 /nfs/dbraw/zinc/16/61/77/296166177.db2.gz RKJBMRMLMGVZDU-OAHLLOKOSA-N 1 0 312.373 2.906 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000596016412 399149499 /nfs/dbraw/zinc/14/94/99/399149499.db2.gz RKKAZUNSQNZRTG-CYBMUJFWSA-N 1 0 305.378 2.572 20 5 DFBDRO C[C@]1(F)C[NH2+]CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000420263300 296167089 /nfs/dbraw/zinc/16/70/89/296167089.db2.gz NRIJWTFBWQQGSE-LBPRGKRZSA-N 1 0 321.274 2.751 20 5 DFBDRO Cc1cc(N[C@H](CC[NH3+])C(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000420273041 296168251 /nfs/dbraw/zinc/16/82/51/296168251.db2.gz XFDPKCBFIMWEDH-SNVBAGLBSA-N 1 0 310.304 2.846 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000596030162 399152008 /nfs/dbraw/zinc/15/20/08/399152008.db2.gz LXGQHUWYGJKVGG-SECBINFHSA-N 1 0 317.187 2.538 20 5 DFBDRO [NH3+][C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[C@H]1F ZINC000596033333 399152380 /nfs/dbraw/zinc/15/23/80/399152380.db2.gz UHEMMQASSMIUBZ-VXGBXAGGSA-N 1 0 322.365 2.594 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000618547359 399154115 /nfs/dbraw/zinc/15/41/15/399154115.db2.gz DKNRCMLEJMGKCF-CYBMUJFWSA-N 1 0 317.389 2.600 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000420280230 296168941 /nfs/dbraw/zinc/16/89/41/296168941.db2.gz PYNQUGUARJHKBB-AWEZNQCLSA-N 1 0 317.393 2.794 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000264810040 204172918 /nfs/dbraw/zinc/17/29/18/204172918.db2.gz VOALCZFLNGRNOY-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO C[NH2+]C1(CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000600824889 399157064 /nfs/dbraw/zinc/15/70/64/399157064.db2.gz CWUCXLMKBVTTOL-UHFFFAOYSA-N 1 0 305.378 2.590 20 5 DFBDRO COC(=O)c1cc(-c2cccc3c2C[C@@H]2[C@@H]([NH3+])[C@H]32)cc([N+](=O)[O-])c1 ZINC000600844949 399158626 /nfs/dbraw/zinc/15/86/26/399158626.db2.gz BZAWDGZGUQMLHN-GVDBMIGSSA-N 1 0 324.336 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059976 399158925 /nfs/dbraw/zinc/15/89/25/399158925.db2.gz WSAQMAMFTWTDMU-INIZCTEOSA-N 1 0 303.406 2.806 20 5 DFBDRO Cc1occc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618567103 399161678 /nfs/dbraw/zinc/16/16/78/399161678.db2.gz UEOSBGFIZQCXSP-ZIAGYGMSSA-N 1 0 304.350 2.966 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H](O)C3CC3)cs2)c1 ZINC000265098120 204394577 /nfs/dbraw/zinc/39/45/77/204394577.db2.gz QSNBSWKMZWWEHL-AWEZNQCLSA-N 1 0 319.386 2.579 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596073667 399163570 /nfs/dbraw/zinc/16/35/70/399163570.db2.gz LCZMZXGNDVZJNL-CYBMUJFWSA-N 1 0 308.382 2.618 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(OC(F)F)c1 ZINC000596091481 399169878 /nfs/dbraw/zinc/16/98/78/399169878.db2.gz KVQTUDAEHNCTJG-SECBINFHSA-N 1 0 313.304 2.845 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265495340 204656266 /nfs/dbraw/zinc/65/62/66/204656266.db2.gz LNGKDBXCEOSHOX-LBPRGKRZSA-N 1 0 323.368 2.647 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1 ZINC000282560580 217089744 /nfs/dbraw/zinc/08/97/44/217089744.db2.gz YHERGBOPFZMFOB-KRWDZBQOSA-N 1 0 300.358 2.803 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342087695 284323201 /nfs/dbraw/zinc/32/32/01/284323201.db2.gz POMDAZXRCLFDQQ-MAZHCROVSA-N 1 0 319.405 2.553 20 5 DFBDRO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000342348286 284329650 /nfs/dbraw/zinc/32/96/50/284329650.db2.gz KOFDWAHNFUBKHQ-SECBINFHSA-N 1 0 323.422 2.988 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397650 296185967 /nfs/dbraw/zinc/18/59/67/296185967.db2.gz MTEHHMBSFGCHAA-WFASDCNBSA-N 1 0 307.369 2.698 20 5 DFBDRO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600950927 399184528 /nfs/dbraw/zinc/18/45/28/399184528.db2.gz BRTRLWUTAKWTFQ-CMPLNLGQSA-N 1 0 317.311 2.867 20 5 DFBDRO [NH3+]C1(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCOCC1 ZINC000600953371 399185586 /nfs/dbraw/zinc/18/55/86/399185586.db2.gz ZKMASWJLFXNZMS-UHFFFAOYSA-N 1 0 319.283 2.533 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000600952562 399185700 /nfs/dbraw/zinc/18/57/00/399185700.db2.gz ZRIZDECKXJHFNV-VHSXEESVSA-N 1 0 301.293 2.749 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H]1C[NH3+] ZINC000600962082 399188275 /nfs/dbraw/zinc/18/82/75/399188275.db2.gz UXRPWVZMAUKTRW-PWSUYJOCSA-N 1 0 318.402 2.749 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1C[NH3+] ZINC000600962083 399188388 /nfs/dbraw/zinc/18/83/88/399188388.db2.gz UXRPWVZMAUKTRW-ZYHUDNBSSA-N 1 0 318.402 2.749 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000600962192 399188537 /nfs/dbraw/zinc/18/85/37/399188537.db2.gz WHDAEDLBKAAGIU-GXTWGEPZSA-N 1 0 312.373 2.688 20 5 DFBDRO [NH3+][C@@H](CCNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000600962000 399188676 /nfs/dbraw/zinc/18/86/76/399188676.db2.gz YBXGIQCAPPGUCV-LBPRGKRZSA-N 1 0 304.325 2.501 20 5 DFBDRO Cc1cnc(NCC[C@H]([NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000600961941 399188684 /nfs/dbraw/zinc/18/86/84/399188684.db2.gz XKTKWBBEMMSHGC-AWEZNQCLSA-N 1 0 300.362 2.670 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[NH2+]C12CCC2 ZINC000600966550 399190223 /nfs/dbraw/zinc/19/02/23/399190223.db2.gz QCQRPHBVVYYGTD-LBPRGKRZSA-N 1 0 324.768 2.654 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000266169939 205155739 /nfs/dbraw/zinc/15/57/39/205155739.db2.gz QNZWNDHCETUACS-CQSZACIVSA-N 1 0 319.405 2.850 20 5 DFBDRO COC(=O)c1c(Cl)c(SCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596155006 399194841 /nfs/dbraw/zinc/19/48/41/399194841.db2.gz GXEXIHCLPBLXDR-UHFFFAOYSA-N 1 0 318.782 2.689 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420642224 296195127 /nfs/dbraw/zinc/19/51/27/296195127.db2.gz VMBMUNALESAYOM-LLVKDONJSA-N 1 0 315.320 2.727 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000063727939 399204841 /nfs/dbraw/zinc/20/48/41/399204841.db2.gz KXMFZKVXADBYLM-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601021216 399204849 /nfs/dbraw/zinc/20/48/49/399204849.db2.gz UKINLJUDJFJYIY-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601027330 399205900 /nfs/dbraw/zinc/20/59/00/399205900.db2.gz WJJLDGQYIPEIEX-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CC[C@@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000288518111 220195648 /nfs/dbraw/zinc/19/56/48/220195648.db2.gz XLDLGEQIWAKRPX-HNNXBMFYSA-N 1 0 321.421 2.716 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccnn1CC1CCC1 ZINC000601108283 399229301 /nfs/dbraw/zinc/22/93/01/399229301.db2.gz GNHPQKXTSPKZKS-UHFFFAOYSA-N 1 0 314.389 2.924 20 5 DFBDRO C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000601129664 399235820 /nfs/dbraw/zinc/23/58/20/399235820.db2.gz WEOIOEHGZZUKGW-MEDUHNTESA-N 1 0 300.362 2.529 20 5 DFBDRO CN(C[C@@H]1CCC[C@H]1O)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134837 399236929 /nfs/dbraw/zinc/23/69/29/399236929.db2.gz IMUJXELWACQXBN-MEDUHNTESA-N 1 0 301.346 2.740 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C(F)F ZINC000601147450 399240679 /nfs/dbraw/zinc/24/06/79/399240679.db2.gz NXKKTSBKTNMRBA-PGJNLMOESA-N 1 0 300.305 2.604 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)O1 ZINC000601148777 399241182 /nfs/dbraw/zinc/24/11/82/399241182.db2.gz AEUZWHCDACIVOD-VDDIYKPWSA-N 1 0 316.304 2.852 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CC(F)F)c2ccccc2)c1 ZINC000420988811 296220992 /nfs/dbraw/zinc/22/09/92/296220992.db2.gz AXYHYMNDROHBED-CYBMUJFWSA-N 1 0 310.304 2.777 20 5 DFBDRO Cc1cnc(N2CCC(C)([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000601216911 399256834 /nfs/dbraw/zinc/25/68/34/399256834.db2.gz ZQLGJEDZPVBSKG-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000601216120 399256890 /nfs/dbraw/zinc/25/68/90/399256890.db2.gz NGVZMQZUYZBUOL-UHFFFAOYSA-N 1 0 322.384 2.771 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000601229099 399259847 /nfs/dbraw/zinc/25/98/47/399259847.db2.gz FSUANEDUGDLXMK-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1 ZINC000614712636 399261692 /nfs/dbraw/zinc/26/16/92/399261692.db2.gz MYHUDHGVSXJADJ-TZMCWYRMSA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897418 217801378 /nfs/dbraw/zinc/80/13/78/217801378.db2.gz CTODYAGEIGONFE-YGRLFVJLSA-N 1 0 315.377 2.639 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421197381 296240695 /nfs/dbraw/zinc/24/06/95/296240695.db2.gz HFQBEDJORDHJQQ-STQMWFEESA-N 1 0 305.378 2.504 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421197377 296240697 /nfs/dbraw/zinc/24/06/97/296240697.db2.gz HFQBEDJORDHJQQ-CHWSQXEVSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000601295506 399272036 /nfs/dbraw/zinc/27/20/36/399272036.db2.gz WHNQJJGTRGGLKS-LBPRGKRZSA-N 1 0 324.377 2.604 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)(F)F ZINC000601299817 399272905 /nfs/dbraw/zinc/27/29/05/399272905.db2.gz BWKNHIOVBPYEEX-ZEGGKSINSA-N 1 0 318.295 2.874 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421362901 296248319 /nfs/dbraw/zinc/24/83/19/296248319.db2.gz OHCLKUOQAVJHMB-NZTAJPAGSA-N 1 0 304.390 2.948 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000421374383 296250173 /nfs/dbraw/zinc/25/01/73/296250173.db2.gz FRGAVFPRHKHQQQ-CHWSQXEVSA-N 1 0 324.377 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609157455 399307269 /nfs/dbraw/zinc/30/72/69/399307269.db2.gz RFPHOTUCNGFZRB-MRXNPFEDSA-N 1 0 300.362 2.671 20 5 DFBDRO CCN1CCO[C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000609284393 399311674 /nfs/dbraw/zinc/31/16/74/399311674.db2.gz UFKKIEPLUKSLFT-OAHLLOKOSA-N 1 0 321.421 2.529 20 5 DFBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609552197 399322822 /nfs/dbraw/zinc/32/28/22/399322822.db2.gz BFAZIUKFNPAGJH-CYBMUJFWSA-N 1 0 320.393 2.898 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421778668 296274974 /nfs/dbraw/zinc/27/49/74/296274974.db2.gz HYLFFBGOXMPTES-UHFFFAOYSA-N 1 0 307.394 2.673 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNC(=O)C(C)C ZINC000344843065 284693052 /nfs/dbraw/zinc/69/30/52/284693052.db2.gz AKRCFZPFLZMBGI-GXDHUFHOSA-N 1 0 319.405 2.750 20 5 DFBDRO CC(C)[NH2+]C1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284051896 217861720 /nfs/dbraw/zinc/86/17/20/217861720.db2.gz MHZOPQZNIUNRCJ-UHFFFAOYSA-N 1 0 313.348 2.835 20 5 DFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274157977 211387643 /nfs/dbraw/zinc/38/76/43/211387643.db2.gz ZANTYWZWLVQWQR-JKSUJKDBSA-N 1 0 321.446 2.606 20 5 DFBDRO CC(C)[C@H](CCO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274126842 211379643 /nfs/dbraw/zinc/37/96/43/211379643.db2.gz XWHNMHKEVZBPJW-HNNXBMFYSA-N 1 0 319.361 2.746 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421878723 296278472 /nfs/dbraw/zinc/27/84/72/296278472.db2.gz NVUQYGLLPFDDQV-QWHCGFSZSA-N 1 0 308.378 2.830 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000273957523 211212634 /nfs/dbraw/zinc/21/26/34/211212634.db2.gz GBFVJVJZWIPHOK-CHWSQXEVSA-N 1 0 308.378 2.897 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000610252172 399350801 /nfs/dbraw/zinc/35/08/01/399350801.db2.gz PKNMOSZJFLJIRW-JGGQBBKZSA-N 1 0 319.405 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000284787405 218178236 /nfs/dbraw/zinc/17/82/36/218178236.db2.gz NTYXCGLZNVLHEH-HZPDHXFCSA-N 1 0 306.362 2.617 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601924569 399358847 /nfs/dbraw/zinc/35/88/47/399358847.db2.gz BSIYATQDKGYMDJ-LLVKDONJSA-N 1 0 316.361 2.598 20 5 DFBDRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000610391387 399363040 /nfs/dbraw/zinc/36/30/40/399363040.db2.gz DTSIQVGYQKOLQL-GXTWGEPZSA-N 1 0 313.361 2.632 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000284900003 218226996 /nfs/dbraw/zinc/22/69/96/218226996.db2.gz CFJXSCJFUXFEGA-VIRWGQHYSA-N 1 0 321.299 2.529 20 5 DFBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619599576 399366957 /nfs/dbraw/zinc/36/69/57/399366957.db2.gz NWFBRSVSWRTFIT-NWDGAFQWSA-N 1 0 306.362 2.892 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@@H]1CCOC1 ZINC000610476216 399370794 /nfs/dbraw/zinc/37/07/94/399370794.db2.gz CTUNIIQVADABBD-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601971817 399372320 /nfs/dbraw/zinc/37/23/20/399372320.db2.gz WPMFEXKFERRHPA-XJKSGUPXSA-N 1 0 319.405 2.907 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCO[C@H](C(F)F)CC2)c(F)c1 ZINC000601974918 399372451 /nfs/dbraw/zinc/37/24/51/399372451.db2.gz XIPJWPRFCFTUCE-LBPRGKRZSA-N 1 0 304.268 2.590 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026866 218261987 /nfs/dbraw/zinc/26/19/87/218261987.db2.gz HQAJMSNPIHQSFR-NOZJJQNGSA-N 1 0 301.350 2.628 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000610585494 399383731 /nfs/dbraw/zinc/38/37/31/399383731.db2.gz QZLDBBPTEDAAKG-IUODEOHRSA-N 1 0 303.362 2.716 20 5 DFBDRO CCN1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615837144 399388013 /nfs/dbraw/zinc/38/80/13/399388013.db2.gz OJWOFVRVUFMSIG-AMPATBDRSA-N 1 0 303.406 2.928 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610673564 399390929 /nfs/dbraw/zinc/39/09/29/399390929.db2.gz FGRUYDJZXWWRRP-HNNXBMFYSA-N 1 0 319.405 2.516 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000610673565 399391118 /nfs/dbraw/zinc/39/11/18/399391118.db2.gz FGRUYDJZXWWRRP-OAHLLOKOSA-N 1 0 319.405 2.516 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000110436928 194330240 /nfs/dbraw/zinc/33/02/40/194330240.db2.gz WKVLZXDQKHGPQL-UHFFFAOYSA-N 1 0 319.405 2.981 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000110490023 194333672 /nfs/dbraw/zinc/33/36/72/194333672.db2.gz NNFPNXURNYTHQR-VXGBXAGGSA-N 1 0 311.769 2.523 20 5 DFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000346348877 284852995 /nfs/dbraw/zinc/85/29/95/284852995.db2.gz KJYNMFJQIAYONM-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO CC(C)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000615943480 399403390 /nfs/dbraw/zinc/40/33/90/399403390.db2.gz NSWYDVPSEFMLFE-HNNXBMFYSA-N 1 0 302.378 2.858 20 5 DFBDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268916002 207083790 /nfs/dbraw/zinc/08/37/90/207083790.db2.gz NTSPNDSDOFETFP-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268915997 207084063 /nfs/dbraw/zinc/08/40/63/207084063.db2.gz NTSPNDSDOFETFP-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC[C@H]1CCOC1 ZINC000610815088 399409203 /nfs/dbraw/zinc/40/92/03/399409203.db2.gz POMQIKZPLRVGNN-KBPBESRZSA-N 1 0 308.378 2.607 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610815056 399409213 /nfs/dbraw/zinc/40/92/13/399409213.db2.gz ITIIZUOCIHFLCE-KBPBESRZSA-N 1 0 308.378 2.607 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112080151 194429779 /nfs/dbraw/zinc/42/97/79/194429779.db2.gz FTWNCUFTNDMBEM-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000616121605 399424259 /nfs/dbraw/zinc/42/42/59/399424259.db2.gz OZFGUVYJMZPARG-OCCSQVGLSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269014058 207165536 /nfs/dbraw/zinc/16/55/36/207165536.db2.gz XYVDGVNBDWBOHW-CJNGLKHVSA-N 1 0 323.462 2.991 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611158499 399440012 /nfs/dbraw/zinc/44/00/12/399440012.db2.gz QHKDJTUIGKPECA-MLGOLLRUSA-N 1 0 324.352 2.945 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611180506 399443049 /nfs/dbraw/zinc/44/30/49/399443049.db2.gz YSQODWKGQWLZBQ-SNVBAGLBSA-N 1 0 313.304 2.510 20 5 DFBDRO C[NH+](C)CCOc1cc(CNc2ccsc2[N+](=O)[O-])ccn1 ZINC000611193877 399444208 /nfs/dbraw/zinc/44/42/08/399444208.db2.gz ZEWKWDBPAHVXHE-UHFFFAOYSA-N 1 0 322.390 2.604 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000611201659 399444837 /nfs/dbraw/zinc/44/48/37/399444837.db2.gz SISIRNRVDHMOKB-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)OCCO2 ZINC000611274771 399456485 /nfs/dbraw/zinc/45/64/85/399456485.db2.gz AOAVTHVZHZXCTI-LBPRGKRZSA-N 1 0 304.346 2.598 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)OCCO2 ZINC000611274770 399456792 /nfs/dbraw/zinc/45/67/92/399456792.db2.gz AOAVTHVZHZXCTI-GFCCVEGCSA-N 1 0 304.346 2.598 20 5 DFBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478978 399457563 /nfs/dbraw/zinc/45/75/63/399457563.db2.gz WHCUEYLTJIIHPL-WCQYABFASA-N 1 0 318.352 2.845 20 5 DFBDRO C[NH+]1CCC(NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602504036 399462587 /nfs/dbraw/zinc/46/25/87/399462587.db2.gz RCOJFFVDWCSLKZ-UHFFFAOYSA-N 1 0 317.311 2.797 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336916 399462869 /nfs/dbraw/zinc/46/28/69/399462869.db2.gz HISPOFCTNIGYFE-RRQGHBQHSA-N 1 0 321.421 2.745 20 5 DFBDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ncn1 ZINC000611337231 399462908 /nfs/dbraw/zinc/46/29/08/399462908.db2.gz BJMXMFUMQBAHQB-INIZCTEOSA-N 1 0 312.373 2.804 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602512876 399464837 /nfs/dbraw/zinc/46/48/37/399464837.db2.gz ZRVFJNYPRUNJEW-NSHDSACASA-N 1 0 306.366 2.556 20 5 DFBDRO CC[C@@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602511575 399465013 /nfs/dbraw/zinc/46/50/13/399465013.db2.gz OTGGOEHKHVLMFA-SNVBAGLBSA-N 1 0 323.212 2.669 20 5 DFBDRO CC1CC[NH+](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602515891 399465862 /nfs/dbraw/zinc/46/58/62/399465862.db2.gz SSDIWYNWJFVRSI-UHFFFAOYSA-N 1 0 318.377 2.558 20 5 DFBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)NC1CCCCC1 ZINC000602518531 399466529 /nfs/dbraw/zinc/46/65/29/399466529.db2.gz PVBINGRCAKEDQF-UHFFFAOYSA-N 1 0 319.405 2.566 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CCOCC1 ZINC000602519133 399466573 /nfs/dbraw/zinc/46/65/73/399466573.db2.gz WGZDCXCPGJVXIB-UHFFFAOYSA-N 1 0 304.268 2.882 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000611377133 399467273 /nfs/dbraw/zinc/46/72/73/399467273.db2.gz LULQFMFJVSNKMK-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000065281500 184320657 /nfs/dbraw/zinc/32/06/57/184320657.db2.gz LCRNSXCDRQOKEF-ZDUSSCGKSA-N 1 0 308.378 2.863 20 5 DFBDRO COCC(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602535435 399470118 /nfs/dbraw/zinc/47/01/18/399470118.db2.gz ZERGATLTXSJDRU-UHFFFAOYSA-N 1 0 323.212 2.933 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000602541621 399471480 /nfs/dbraw/zinc/47/14/80/399471480.db2.gz XPYWJDBVPCKWIV-LLVKDONJSA-N 1 0 304.268 2.882 20 5 DFBDRO Cc1c(C[NH2+]Cc2ccccc2-n2cncn2)cccc1[N+](=O)[O-] ZINC000616482705 399473553 /nfs/dbraw/zinc/47/35/53/399473553.db2.gz IHBNBZJEMMZOTD-UHFFFAOYSA-N 1 0 323.356 2.774 20 5 DFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066149053 184393249 /nfs/dbraw/zinc/39/32/49/184393249.db2.gz UNJRYINCPBQPSB-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550997 399473916 /nfs/dbraw/zinc/47/39/16/399473916.db2.gz ATZRQCBNSBGAFH-MNOVXSKESA-N 1 0 323.418 2.577 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066186407 184395820 /nfs/dbraw/zinc/39/58/20/184395820.db2.gz QGEMRPTTYKPRQQ-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO COc1cc(C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000602557581 399475172 /nfs/dbraw/zinc/47/51/72/399475172.db2.gz LFTJJQRDIPNLGG-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422754668 296327224 /nfs/dbraw/zinc/32/72/24/296327224.db2.gz JTICXQNFKDTDEP-JSGCOSHPSA-N 1 0 319.405 2.836 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1[N+](=O)[O-] ZINC000602562997 399476777 /nfs/dbraw/zinc/47/67/77/399476777.db2.gz LAJHLOQGVDTMCN-OLZOCXBDSA-N 1 0 317.393 2.969 20 5 DFBDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602564218 399477250 /nfs/dbraw/zinc/47/72/50/399477250.db2.gz QZPGASCIVNTURF-NSHDSACASA-N 1 0 312.329 2.852 20 5 DFBDRO CCC[C@@H]1C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564044 399477363 /nfs/dbraw/zinc/47/73/63/399477363.db2.gz CXWPCKLHOBNLGB-DOMZBBRYSA-N 1 0 304.394 2.737 20 5 DFBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)CO ZINC000602560863 399476082 /nfs/dbraw/zinc/47/60/82/399476082.db2.gz WBQHVHFURXNATG-RNFRBKRXSA-N 1 0 323.212 2.525 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCc3ccccn3)nc2c1 ZINC000602574660 399480291 /nfs/dbraw/zinc/48/02/91/399480291.db2.gz LDFYSPOJLINYHJ-UHFFFAOYSA-N 1 0 312.329 2.853 20 5 DFBDRO COc1cc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000611515643 399485709 /nfs/dbraw/zinc/48/57/09/399485709.db2.gz DKAQEWITVJUQSO-HUUCEWRRSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000602594754 399486248 /nfs/dbraw/zinc/48/62/48/399486248.db2.gz SYCTYPWNYWXKFL-SECBINFHSA-N 1 0 305.300 2.653 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(OCCCO)CC1 ZINC000611516333 399486679 /nfs/dbraw/zinc/48/66/79/399486679.db2.gz GJPZEUKFPNGEJF-CQSZACIVSA-N 1 0 322.405 2.828 20 5 DFBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602597276 399486722 /nfs/dbraw/zinc/48/67/22/399486722.db2.gz ACUCYGPGBSEGBK-RKDXNWHRSA-N 1 0 306.284 2.863 20 5 DFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515983 399486775 /nfs/dbraw/zinc/48/67/75/399486775.db2.gz XIIIZPICGWEMJO-ZDUSSCGKSA-N 1 0 322.361 2.521 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602593768 399486812 /nfs/dbraw/zinc/48/68/12/399486812.db2.gz MYAUSPWBYUUURG-WCQYABFASA-N 1 0 319.405 2.559 20 5 DFBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602604127 399487936 /nfs/dbraw/zinc/48/79/36/399487936.db2.gz WYYNNITXLJKWAX-NKWVEPMBSA-N 1 0 323.212 2.668 20 5 DFBDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606313 399488576 /nfs/dbraw/zinc/48/85/76/399488576.db2.gz OWZIJGOQPVBZPX-VHSXEESVSA-N 1 0 318.295 2.816 20 5 DFBDRO Cc1cccc([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607201 399488891 /nfs/dbraw/zinc/48/88/91/399488891.db2.gz IOHBKRLZGDFWPG-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)n1 ZINC000611555510 399491297 /nfs/dbraw/zinc/49/12/97/399491297.db2.gz UBOIMAXFRIPRQB-QWGSZXSUSA-N 1 0 312.373 2.969 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000422787041 296332682 /nfs/dbraw/zinc/33/26/82/296332682.db2.gz LOYGXJGHKUIKLI-GFCCVEGCSA-N 1 0 319.405 2.918 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCCO1 ZINC000602636084 399498679 /nfs/dbraw/zinc/49/86/79/399498679.db2.gz FKUMOAAQUYCCFJ-YGRLFVJLSA-N 1 0 304.350 2.518 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCCO1 ZINC000602636081 399498640 /nfs/dbraw/zinc/49/86/40/399498640.db2.gz FKUMOAAQUYCCFJ-HZMBPMFUSA-N 1 0 304.350 2.518 20 5 DFBDRO CCSCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602651566 399502942 /nfs/dbraw/zinc/50/29/42/399502942.db2.gz JSEYIWHDQIMXOL-UHFFFAOYSA-N 1 0 324.450 2.691 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnc(OC(F)F)c2)cc1 ZINC000602651420 399503033 /nfs/dbraw/zinc/50/30/33/399503033.db2.gz IMSUCHUZCBQZPL-UHFFFAOYSA-N 1 0 323.299 2.924 20 5 DFBDRO COc1cccc([C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000611683506 399504724 /nfs/dbraw/zinc/50/47/24/399504724.db2.gz RAHQARGWTQUOKE-MRXNPFEDSA-N 1 0 316.357 2.735 20 5 DFBDRO [NH3+]CCN(Cc1ccc(C(F)F)nc1)c1ccccc1[N+](=O)[O-] ZINC000602658705 399505877 /nfs/dbraw/zinc/50/58/77/399505877.db2.gz IJJNRVRZLXPBNO-UHFFFAOYSA-N 1 0 322.315 2.893 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000422853607 296345220 /nfs/dbraw/zinc/34/52/20/296345220.db2.gz ZIKLTLISDSXXIJ-FZMZJTMJSA-N 1 0 305.378 2.528 20 5 DFBDRO CCn1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000616786362 399512706 /nfs/dbraw/zinc/51/27/06/399512706.db2.gz WDRHWFITQIEDBZ-UHFFFAOYSA-N 1 0 303.362 2.927 20 5 DFBDRO C[C@@H]([NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000602674557 399515976 /nfs/dbraw/zinc/51/59/76/399515976.db2.gz VYOZLBVILRGRKD-GFCCVEGCSA-N 1 0 317.393 2.835 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000119882767 195054335 /nfs/dbraw/zinc/05/43/35/195054335.db2.gz QXOWPXXYAQLIMF-LBPRGKRZSA-N 1 0 323.418 2.531 20 5 DFBDRO O=C1CCCCN1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000120125165 195101192 /nfs/dbraw/zinc/10/11/92/195101192.db2.gz ZTSNQELJEQDQSD-UHFFFAOYSA-N 1 0 317.389 2.572 20 5 DFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H](CO)CC(C)(C)C ZINC000602684687 399519135 /nfs/dbraw/zinc/51/91/35/399519135.db2.gz QUGVCOUWJPRZMW-GFCCVEGCSA-N 1 0 321.377 2.965 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC[C@H]3F)CC2)cn1 ZINC000602690492 399522222 /nfs/dbraw/zinc/52/22/22/399522222.db2.gz NROREQYFSONTME-HUUCEWRRSA-N 1 0 322.384 2.829 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000270244007 208307484 /nfs/dbraw/zinc/30/74/84/208307484.db2.gz DLCDLTYMIFJTMG-INIZCTEOSA-N 1 0 304.321 2.731 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)c([N+](=O)[O-])n1 ZINC000602714562 399535646 /nfs/dbraw/zinc/53/56/46/399535646.db2.gz BKPXOPRAFBUPBW-QWHCGFSZSA-N 1 0 322.409 2.544 20 5 DFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602716884 399536411 /nfs/dbraw/zinc/53/64/11/399536411.db2.gz KXNQDRMCZXSRCM-OAHLLOKOSA-N 1 0 304.394 2.737 20 5 DFBDRO C[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273076455 210457521 /nfs/dbraw/zinc/45/75/21/210457521.db2.gz PNCNVPFCBURAPN-CVEARBPZSA-N 1 0 306.362 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000114562498 285110563 /nfs/dbraw/zinc/11/05/63/285110563.db2.gz HNJOKXFLQMMSDK-QGZVFWFLSA-N 1 0 303.406 2.698 20 5 DFBDRO CCN1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000159264876 197340778 /nfs/dbraw/zinc/34/07/78/197340778.db2.gz JVKNZHBLJAKVFM-KRWDZBQOSA-N 1 0 317.433 2.990 20 5 DFBDRO CC(=O)c1ccc(N[C@@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000273004213 210383304 /nfs/dbraw/zinc/38/33/04/210383304.db2.gz RMWLVDJUGMBQKA-NSHDSACASA-N 1 0 303.362 2.860 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)cc1 ZINC000281651994 285115729 /nfs/dbraw/zinc/11/57/29/285115729.db2.gz JYZJGLPFKCSPPM-GOSISDBHSA-N 1 0 312.369 2.909 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000375747960 285119033 /nfs/dbraw/zinc/11/90/33/285119033.db2.gz FRTRWOXGAHPTSH-IACUBPJLSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c2ccncc21 ZINC000360466422 285122984 /nfs/dbraw/zinc/12/29/84/285122984.db2.gz LZFWXIFQBDBEAZ-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cc(CN[C@@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000423091179 296377033 /nfs/dbraw/zinc/37/70/33/296377033.db2.gz WWZOJTNVBCYWAP-GFCCVEGCSA-N 1 0 317.311 2.845 20 5 DFBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000423082736 296376361 /nfs/dbraw/zinc/37/63/61/296376361.db2.gz FVSGLVKZEJSEON-TVQRCGJNSA-N 1 0 317.311 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CCC2 ZINC000365735533 285144296 /nfs/dbraw/zinc/14/42/96/285144296.db2.gz LMGCRYOAOHMAPL-BBRMVZONSA-N 1 0 312.373 2.842 20 5 DFBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000157939715 197229448 /nfs/dbraw/zinc/22/94/48/197229448.db2.gz YZFPDKIPMHPCFW-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602780947 399570927 /nfs/dbraw/zinc/57/09/27/399570927.db2.gz DHZSLJKTBBTTCI-AWEZNQCLSA-N 1 0 306.341 2.954 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000157962072 197231021 /nfs/dbraw/zinc/23/10/21/197231021.db2.gz SCGHJEFUTPMVGQ-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CCS[C@@H]1CCCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784085 399572061 /nfs/dbraw/zinc/57/20/61/399572061.db2.gz MILIKUSSROEFMW-CYBMUJFWSA-N 1 0 312.439 2.707 20 5 DFBDRO CCS[C@H]1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783314 399572140 /nfs/dbraw/zinc/57/21/40/399572140.db2.gz KRTLXTMRZJKLIH-STQMWFEESA-N 1 0 312.439 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066534774 285164648 /nfs/dbraw/zinc/16/46/48/285164648.db2.gz ALQOCUFZFYHTAO-HNNXBMFYSA-N 1 0 319.405 2.534 20 5 DFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602807177 399583611 /nfs/dbraw/zinc/58/36/11/399583611.db2.gz VKWNKKGNMFUNDN-LLVKDONJSA-N 1 0 309.395 2.606 20 5 DFBDRO Cc1ccccc1[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602807294 399584276 /nfs/dbraw/zinc/58/42/76/399584276.db2.gz XKDGAKSMZBPELS-HNNXBMFYSA-N 1 0 300.362 2.878 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000265449075 285176275 /nfs/dbraw/zinc/17/62/75/285176275.db2.gz AKHVWUBQZJKOTD-LLVKDONJSA-N 1 0 310.785 2.708 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000602815555 399587732 /nfs/dbraw/zinc/58/77/32/399587732.db2.gz LQLOTRRPKHQPRZ-JTQLQIEISA-N 1 0 320.315 2.763 20 5 DFBDRO COc1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000612131044 399589505 /nfs/dbraw/zinc/58/95/05/399589505.db2.gz RVRHPXCAKVESAH-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1ccccc1C ZINC000602836279 399594563 /nfs/dbraw/zinc/59/45/63/399594563.db2.gz MZQFEQYNFKWMSL-UHFFFAOYSA-N 1 0 302.378 2.583 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000271487346 208949478 /nfs/dbraw/zinc/94/94/78/208949478.db2.gz LHCOYHDMNYVPJF-YRGRVCCFSA-N 1 0 310.419 2.969 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156566132 197123629 /nfs/dbraw/zinc/12/36/29/197123629.db2.gz RANWCFNHQSRJHY-BBRMVZONSA-N 1 0 300.362 2.874 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCc2ccccc2CC1 ZINC000602842142 399597344 /nfs/dbraw/zinc/59/73/44/399597344.db2.gz XNSGYCJIPNZYNR-UHFFFAOYSA-N 1 0 314.389 2.591 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000155345490 197046275 /nfs/dbraw/zinc/04/62/75/197046275.db2.gz RTTXXOSEXYZWKN-HNNXBMFYSA-N 1 0 305.378 2.648 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423361164 296408399 /nfs/dbraw/zinc/40/83/99/296408399.db2.gz MDHQDJZVDHPBRY-OBJOEFQTSA-N 1 0 307.394 2.642 20 5 DFBDRO COC(=O)[C@H](C)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000302105081 533171171 /nfs/dbraw/zinc/17/11/71/533171171.db2.gz WYEWEOAGNIWYTL-SNVBAGLBSA-N 1 0 317.345 2.697 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423383788 296411139 /nfs/dbraw/zinc/41/11/39/296411139.db2.gz FGCVLLZVHGDHBX-SGMGOOAPSA-N 1 0 307.394 2.642 20 5 DFBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602872970 399611265 /nfs/dbraw/zinc/61/12/65/399611265.db2.gz FOWHEYCMSVKECO-MRXNPFEDSA-N 1 0 305.422 2.799 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294740082 224203283 /nfs/dbraw/zinc/20/32/83/224203283.db2.gz CEXOGIVJSFXSAD-LBPRGKRZSA-N 1 0 317.345 2.603 20 5 DFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(C)(C)C ZINC000602875026 399611936 /nfs/dbraw/zinc/61/19/36/399611936.db2.gz XTMULBZVSANXLW-MRXNPFEDSA-N 1 0 321.421 2.636 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000602873647 399611546 /nfs/dbraw/zinc/61/15/46/399611546.db2.gz RNDKFPUMDCOOMK-ZDUSSCGKSA-N 1 0 322.409 2.523 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000294830421 224249781 /nfs/dbraw/zinc/24/97/81/224249781.db2.gz ANTTYGRDMILCRP-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423514644 296424709 /nfs/dbraw/zinc/42/47/09/296424709.db2.gz DOKQSPHKMCUTQE-KRWDZBQOSA-N 1 0 319.405 2.838 20 5 DFBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000120582113 195194540 /nfs/dbraw/zinc/19/45/40/195194540.db2.gz GKHHQPNCBXTTCB-RHSMWYFYSA-N 1 0 321.421 2.602 20 5 DFBDRO CSC1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602922271 399628240 /nfs/dbraw/zinc/62/82/40/399628240.db2.gz FSEZDRQAGOFSMC-UHFFFAOYSA-N 1 0 323.418 2.751 20 5 DFBDRO Cc1cnn([C@@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289716571 221174654 /nfs/dbraw/zinc/17/46/54/221174654.db2.gz CPNJZYNDNSDQDX-MRXNPFEDSA-N 1 0 300.362 2.589 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000289834926 221257249 /nfs/dbraw/zinc/25/72/49/221257249.db2.gz UBPFPVZFFLDMEK-LBPRGKRZSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@@H+]1C1CC1 ZINC000612447834 399654153 /nfs/dbraw/zinc/65/41/53/399654153.db2.gz XQLBILRMXGRGCF-GHMZBOCLSA-N 1 0 313.361 2.575 20 5 DFBDRO CC(C)[NH2+]C1CCN(c2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000612444730 399654299 /nfs/dbraw/zinc/65/42/99/399654299.db2.gz GPLQGIFITBUVSB-UHFFFAOYSA-N 1 0 315.377 2.505 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000602997250 399654393 /nfs/dbraw/zinc/65/43/93/399654393.db2.gz GIZLUFQMWQDKSR-IKGGRYGDSA-N 1 0 304.390 2.763 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c1 ZINC000602997260 399654398 /nfs/dbraw/zinc/65/43/98/399654398.db2.gz GQCRKRHBGZNKSK-IKGGRYGDSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997827 399654466 /nfs/dbraw/zinc/65/44/66/399654466.db2.gz RUCXVDUJTFWTCV-FMKPAKJESA-N 1 0 320.389 2.599 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@H]1C1CC1 ZINC000602974502 399644107 /nfs/dbraw/zinc/64/41/07/399644107.db2.gz PFSLRUFHFPONNQ-CVEARBPZSA-N 1 0 320.389 2.727 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)o1 ZINC000612578214 399679913 /nfs/dbraw/zinc/67/99/13/399679913.db2.gz IPUKLEDELUHVHD-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423713129 296441086 /nfs/dbraw/zinc/44/10/86/296441086.db2.gz WPTFRMDDNRDGCS-UONOGXRCSA-N 1 0 319.405 2.767 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603250612 399723745 /nfs/dbraw/zinc/72/37/45/399723745.db2.gz KLUBPXPAOALQBD-STQMWFEESA-N 1 0 315.377 2.571 20 5 DFBDRO Cc1ncc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000123191323 195554633 /nfs/dbraw/zinc/55/46/33/195554633.db2.gz PRSJZQPRFLZQCS-LLVKDONJSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1nn(C[C@@H]2CCCC[N@H+]2C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603327621 399744777 /nfs/dbraw/zinc/74/47/77/399744777.db2.gz OIZWPRJQZISBHW-ZDUSSCGKSA-N 1 0 317.393 2.911 20 5 DFBDRO [NH3+]C1(C(=O)NCc2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000423847552 296456007 /nfs/dbraw/zinc/45/60/07/296456007.db2.gz OYUJRYLQLSWWSY-UHFFFAOYSA-N 1 0 311.769 2.526 20 5 DFBDRO CO[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000293698975 533373531 /nfs/dbraw/zinc/37/35/31/533373531.db2.gz LWSIJFUWXSSWJG-WBVHZDCISA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294732148 533436024 /nfs/dbraw/zinc/43/60/24/533436024.db2.gz KRXZWMHGYLIGAW-KOLCDFICSA-N 1 0 313.448 2.676 20 5 DFBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120977296 542581412 /nfs/dbraw/zinc/58/14/12/542581412.db2.gz OSZDOTZAWUSPRD-BXUZGUMPSA-N 1 0 319.405 2.998 20 5 DFBDRO C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1=CC[N@H+](C)CC1 ZINC000294921658 533565170 /nfs/dbraw/zinc/56/51/70/533565170.db2.gz ILESHWPDOVONTO-SNVBAGLBSA-N 1 0 301.350 2.533 20 5 DFBDRO Cc1cc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000603415173 399771242 /nfs/dbraw/zinc/77/12/42/399771242.db2.gz HTKZTVIRFOQRNI-HOTGVXAUSA-N 1 0 324.384 2.761 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000245874272 296470553 /nfs/dbraw/zinc/47/05/53/296470553.db2.gz LZSZSNWAJSTKEP-HBYGRHMLSA-N 1 0 305.378 2.608 20 5 DFBDRO CCOc1cccc(N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000613044648 399784161 /nfs/dbraw/zinc/78/41/61/399784161.db2.gz OVRIKFZNTKVYES-ZDUSSCGKSA-N 1 0 307.394 2.960 20 5 DFBDRO C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339835 285499103 /nfs/dbraw/zinc/49/91/03/285499103.db2.gz RLSCJIZVQQPVQU-FMKPAKJESA-N 1 0 305.422 2.846 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492650943 299632922 /nfs/dbraw/zinc/63/29/22/299632922.db2.gz SZPYWLZFGJILJT-YFHOEESVSA-N 1 0 317.389 2.552 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000424148235 296488031 /nfs/dbraw/zinc/48/80/31/296488031.db2.gz ZOYVDLDJLYIEEP-SMDDNHRTSA-N 1 0 305.378 2.645 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000603843544 399807759 /nfs/dbraw/zinc/80/77/59/399807759.db2.gz LUPHYPSRPURRCC-UHFFFAOYSA-N 1 0 311.385 2.960 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348523145 285583787 /nfs/dbraw/zinc/58/37/87/285583787.db2.gz BXLRBCNPSQKUFS-YPMHNXCESA-N 1 0 316.304 2.853 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348523143 285583867 /nfs/dbraw/zinc/58/38/67/285583867.db2.gz BXLRBCNPSQKUFS-DGCLKSJQSA-N 1 0 316.304 2.853 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424293906 296499238 /nfs/dbraw/zinc/49/92/38/296499238.db2.gz DBFCXJRGCMFBOO-KPVDHRAQSA-N 1 0 320.389 2.897 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348534748 285591925 /nfs/dbraw/zinc/59/19/25/285591925.db2.gz PVTULQGTIIBXRI-RYUDHWBXSA-N 1 0 316.304 2.853 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348541726 285596917 /nfs/dbraw/zinc/59/69/17/285596917.db2.gz XZLSWNCLLQOHBN-ZYHUDNBSSA-N 1 0 316.304 2.724 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccco2)[NH+]2CCCCC2)nc1 ZINC000273134747 542970058 /nfs/dbraw/zinc/97/00/58/542970058.db2.gz CMTGFZQVFNNLGZ-ZDUSSCGKSA-N 1 0 317.349 2.617 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344894925 146620048 /nfs/dbraw/zinc/62/00/48/146620048.db2.gz YRJXCNXFUZZNEG-ZVHGMHCTSA-N 1 0 319.405 2.893 20 5 DFBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000348903832 285717818 /nfs/dbraw/zinc/71/78/18/285717818.db2.gz IBBBZYHKGINJTP-UHFFFAOYSA-N 1 0 300.314 2.671 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000604539174 399853944 /nfs/dbraw/zinc/85/39/44/399853944.db2.gz RMKXOXQOQCPBQF-CYBMUJFWSA-N 1 0 306.366 2.589 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553966 399855783 /nfs/dbraw/zinc/85/57/83/399855783.db2.gz IDQQRSSJTWVGQJ-AWEZNQCLSA-N 1 0 316.361 2.708 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000052908454 425886358 /nfs/dbraw/zinc/88/63/58/425886358.db2.gz FKAZEMWPMDCJCS-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@@H+](C3CC3)CC2)c1 ZINC000172237835 145297421 /nfs/dbraw/zinc/29/74/21/145297421.db2.gz VDKJHMYOVCDHJV-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO CC[C@@H]1CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)CCS1 ZINC000173931955 145361884 /nfs/dbraw/zinc/36/18/84/145361884.db2.gz TYRDEEWRZUHQLZ-CYBMUJFWSA-N 1 0 323.418 2.669 20 5 DFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000443511959 543357757 /nfs/dbraw/zinc/35/77/57/543357757.db2.gz RYMXEMFXHSPKFM-LBPRGKRZSA-N 1 0 312.439 3.220 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000249889747 146209008 /nfs/dbraw/zinc/20/90/08/146209008.db2.gz SBYDAMJCZCIYPQ-QJPTWQEYSA-N 1 0 323.393 2.955 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000252667766 146222118 /nfs/dbraw/zinc/22/21/18/146222118.db2.gz NNFPNXURNYTHQR-RYUDHWBXSA-N 1 0 311.769 2.523 20 5 DFBDRO COc1ccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261642202 146252792 /nfs/dbraw/zinc/25/27/92/146252792.db2.gz DXSHPVVIUHBWRR-NEPJUHHUSA-N 1 0 321.377 2.568 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cs1 ZINC000261701724 146262152 /nfs/dbraw/zinc/26/21/52/146262152.db2.gz JUHQMHULCFCZAX-CQSZACIVSA-N 1 0 321.377 2.942 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261808028 146279888 /nfs/dbraw/zinc/27/98/88/146279888.db2.gz VIAJULHDECRGEY-INIZCTEOSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c2ncccc12 ZINC000261827148 146284014 /nfs/dbraw/zinc/28/40/14/146284014.db2.gz BGCIGAHGBSOPSA-LBPRGKRZSA-N 1 0 300.362 2.945 20 5 DFBDRO Cc1cccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1[N+](=O)[O-] ZINC000261880942 146295195 /nfs/dbraw/zinc/29/51/95/146295195.db2.gz MLLAFDZJXLVJOR-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261975809 146312683 /nfs/dbraw/zinc/31/26/83/146312683.db2.gz QRYNNCBPSZXNAH-VXGBXAGGSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000261984084 146315924 /nfs/dbraw/zinc/31/59/24/146315924.db2.gz RYCRSEZJRUFDHH-NWDGAFQWSA-N 1 0 300.362 2.707 20 5 DFBDRO CCCN(c1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[NH2+]C1 ZINC000262023691 146323111 /nfs/dbraw/zinc/32/31/11/146323111.db2.gz YBJDPFLJAOCVPK-AWEZNQCLSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262565574 146373093 /nfs/dbraw/zinc/37/30/93/146373093.db2.gz WOLZSETYSKXYDU-RKDXNWHRSA-N 1 0 318.299 2.809 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354411994 147026652 /nfs/dbraw/zinc/02/66/52/147026652.db2.gz WNYIAEOERSBUIF-RISCZKNCSA-N 1 0 323.368 2.679 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000354710252 147122925 /nfs/dbraw/zinc/12/29/25/147122925.db2.gz QWIINQWGYCSVDV-NSHDSACASA-N 1 0 321.406 2.639 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(O)CCC1 ZINC000355372394 147288035 /nfs/dbraw/zinc/28/80/35/147288035.db2.gz VSWVUODBKOYCRJ-UHFFFAOYSA-N 1 0 316.304 2.543 20 5 DFBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355588439 147374610 /nfs/dbraw/zinc/37/46/10/147374610.db2.gz WHMMRFUGHBZSRM-LBPRGKRZSA-N 1 0 324.377 2.625 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000355596379 147378592 /nfs/dbraw/zinc/37/85/92/147378592.db2.gz CRHKKIYXWHZPPC-CHWSQXEVSA-N 1 0 320.393 2.816 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000355596380 147378841 /nfs/dbraw/zinc/37/88/41/147378841.db2.gz CRHKKIYXWHZPPC-OLZOCXBDSA-N 1 0 320.393 2.816 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@H](OCC)C1(C)C ZINC000350093016 286003442 /nfs/dbraw/zinc/00/34/42/286003442.db2.gz VKQRVTUPOKHIEQ-GJZGRUSLSA-N 1 0 324.425 2.707 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c1 ZINC000357651063 148069711 /nfs/dbraw/zinc/06/97/11/148069711.db2.gz NBFPLRLOEAABJI-MRXNPFEDSA-N 1 0 314.389 2.889 20 5 DFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000357918175 148175549 /nfs/dbraw/zinc/17/55/49/148175549.db2.gz BQPOPIYSWNWXGD-KGLIPLIRSA-N 1 0 324.425 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2c[nH]c3ncccc23)c(F)c1 ZINC000350310655 286026326 /nfs/dbraw/zinc/02/63/26/286026326.db2.gz BJUIMQWBIPMKOU-UHFFFAOYSA-N 1 0 314.320 2.943 20 5 DFBDRO CO[C@]1(C)C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000358087946 148240086 /nfs/dbraw/zinc/24/00/86/148240086.db2.gz QTFPCNGGDLCCHK-GDBMZVCRSA-N 1 0 308.378 2.767 20 5 DFBDRO Cc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000360629047 148891581 /nfs/dbraw/zinc/89/15/81/148891581.db2.gz KEZJSCCYJVBWSD-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000361001400 149005084 /nfs/dbraw/zinc/00/50/84/149005084.db2.gz GPNPXRUOEHKUIK-CQSZACIVSA-N 1 0 321.425 2.574 20 5 DFBDRO Cc1c(Cc2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265813 149070113 /nfs/dbraw/zinc/07/01/13/149070113.db2.gz PMVIJLSFRJPMSQ-MFKMUULPSA-N 1 0 316.361 2.542 20 5 DFBDRO C[C@@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOC1 ZINC000361398299 149105307 /nfs/dbraw/zinc/10/53/07/149105307.db2.gz RXLWVBLXQRUCLC-RDJZCZTQSA-N 1 0 304.390 2.932 20 5 DFBDRO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000361525004 149140026 /nfs/dbraw/zinc/14/00/26/149140026.db2.gz MJWJCBOMTQMTNU-MLGOLLRUSA-N 1 0 324.352 2.504 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000361652146 149180841 /nfs/dbraw/zinc/18/08/41/149180841.db2.gz HUIUKXXQKFUYER-KBPBESRZSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361703192 149196824 /nfs/dbraw/zinc/19/68/24/149196824.db2.gz ZWIQOLTXEXTGQE-HNNXBMFYSA-N 1 0 300.362 2.846 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000361859762 149239477 /nfs/dbraw/zinc/23/94/77/149239477.db2.gz HCXPKIAUTORTRV-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000362578804 149314169 /nfs/dbraw/zinc/31/41/69/149314169.db2.gz UXTCHDPHRDHGOT-UHFFFAOYSA-N 1 0 315.320 2.950 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000367049901 149535933 /nfs/dbraw/zinc/53/59/33/149535933.db2.gz KBINFZVRYHDUJS-HIFRSBDPSA-N 1 0 315.377 2.502 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000351272485 286119793 /nfs/dbraw/zinc/11/97/93/286119793.db2.gz UAJMJIDEYSZDMS-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000371198096 150000797 /nfs/dbraw/zinc/00/07/97/150000797.db2.gz ZZRCYSZCRWILBQ-HOTGVXAUSA-N 1 0 317.389 2.504 20 5 DFBDRO COc1cc(C[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1OC ZINC000371685705 150080382 /nfs/dbraw/zinc/08/03/82/150080382.db2.gz NWHAEQZCNPAWDK-ZDUSSCGKSA-N 1 0 324.377 2.613 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000372896745 150198278 /nfs/dbraw/zinc/19/82/78/150198278.db2.gz GFXPSSHMMWYTOP-HUUCEWRRSA-N 1 0 318.352 2.856 20 5 DFBDRO Cc1cn2c(n1)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000372949540 150206663 /nfs/dbraw/zinc/20/66/63/150206663.db2.gz OXJRFYHFJQKPIZ-CQSZACIVSA-N 1 0 300.362 2.767 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000373167955 150240248 /nfs/dbraw/zinc/24/02/48/150240248.db2.gz XSIQXPHMCNYRIL-LDHYMBSASA-N 1 0 318.373 2.536 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374413643 150362977 /nfs/dbraw/zinc/36/29/77/150362977.db2.gz XZKHADBJIZPGKZ-KGLIPLIRSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374468581 150371772 /nfs/dbraw/zinc/37/17/72/150371772.db2.gz JJBLADVRZYAWIF-RISCZKNCSA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCc2ccccc21 ZINC000351714819 286200870 /nfs/dbraw/zinc/20/08/70/286200870.db2.gz BWOLQSDRQBZZOK-MRXNPFEDSA-N 1 0 300.362 2.633 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351716967 286201386 /nfs/dbraw/zinc/20/13/86/286201386.db2.gz BZDRBMYDCZOKOX-MNOVXSKESA-N 1 0 313.348 2.788 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000351747445 286208984 /nfs/dbraw/zinc/20/89/84/286208984.db2.gz CBVTVISACDCRFW-UHFFFAOYSA-N 1 0 312.345 2.586 20 5 DFBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351977933 286258955 /nfs/dbraw/zinc/25/89/55/286258955.db2.gz LZNGBGDNUKYKPW-ZDUSSCGKSA-N 1 0 306.362 2.604 20 5 DFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000352050776 286280177 /nfs/dbraw/zinc/28/01/77/286280177.db2.gz VATOHLFOMWMQIY-NSHDSACASA-N 1 0 313.348 2.647 20 5 DFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000352050775 286280040 /nfs/dbraw/zinc/28/00/40/286280040.db2.gz VATOHLFOMWMQIY-LLVKDONJSA-N 1 0 313.348 2.647 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352278373 286334798 /nfs/dbraw/zinc/33/47/98/286334798.db2.gz LQTDZJOFIVBWPD-SWLSCSKDSA-N 1 0 307.394 2.939 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493305383 299753934 /nfs/dbraw/zinc/75/39/34/299753934.db2.gz SAQDRYPCGFNWSF-QIAWRQBBSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493305382 299753960 /nfs/dbraw/zinc/75/39/60/299753960.db2.gz SAQDRYPCGFNWSF-CKXPSTMWSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@H]1CC[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352349944 286350143 /nfs/dbraw/zinc/35/01/43/286350143.db2.gz IRCUJCNASRQMLX-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000352398309 286363469 /nfs/dbraw/zinc/36/34/69/286363469.db2.gz AFJHTOCIRUORGH-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc(C)s1 ZINC000352446947 286376410 /nfs/dbraw/zinc/37/64/10/286376410.db2.gz IHBGAJHUGOKZSR-DHZHZOJOSA-N 1 0 318.402 2.990 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000063704769 292292539 /nfs/dbraw/zinc/29/25/39/292292539.db2.gz VQIHGDLIWLEJPQ-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCC1 ZINC000352609154 286419496 /nfs/dbraw/zinc/41/94/96/286419496.db2.gz FCGBIEANZZFKPU-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO Cc1cnn(C)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352735465 286454376 /nfs/dbraw/zinc/45/43/76/286454376.db2.gz CBDCNLQYMGUYHW-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000352815138 286474674 /nfs/dbraw/zinc/47/46/74/286474674.db2.gz JWLVVFKLMASODN-UHFFFAOYSA-N 1 0 319.405 2.675 20 5 DFBDRO COc1ncccc1CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353151126 286564013 /nfs/dbraw/zinc/56/40/13/286564013.db2.gz JXHQIPPQDZVIOR-QPJJXVBHSA-N 1 0 313.357 2.844 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000181734783 157996785 /nfs/dbraw/zinc/99/67/85/157996785.db2.gz LIRJVLAPYZZZIL-LSDHHAIUSA-N 1 0 320.389 2.599 20 5 DFBDRO COCCOC[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182814429 158006837 /nfs/dbraw/zinc/00/68/37/158006837.db2.gz IHVBBMRCKAPGNR-CABCVRRESA-N 1 0 322.405 2.949 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246473085 158092453 /nfs/dbraw/zinc/09/24/53/158092453.db2.gz CVYQPZKQVQCPDO-GUYCJALGSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4OCCC[C@H]4C3)nc2c1 ZINC000246882848 158103780 /nfs/dbraw/zinc/10/37/80/158103780.db2.gz UZSKLSZJNQXKSA-SMDDNHRTSA-N 1 0 317.345 2.737 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246971839 158110573 /nfs/dbraw/zinc/11/05/73/158110573.db2.gz JEKKJMFXTIDGEP-KCXAZCMYSA-N 1 0 317.389 2.868 20 5 DFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247989582 158155359 /nfs/dbraw/zinc/15/53/59/158155359.db2.gz JFLQPWJBEPYNFV-HEHGZKQESA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248545125 158182436 /nfs/dbraw/zinc/18/24/36/158182436.db2.gz DYRYDKNTHBXFCG-CXUGXGMPSA-N 1 0 322.405 2.749 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355128028 158279681 /nfs/dbraw/zinc/27/96/81/158279681.db2.gz HCYOOMXNZPDRRR-ZIAGYGMSSA-N 1 0 306.362 2.604 20 5 DFBDRO CC(C)C[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000355908756 158303031 /nfs/dbraw/zinc/30/30/31/158303031.db2.gz RNBLZFWWCWEOLK-CQSZACIVSA-N 1 0 319.405 2.787 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000357024420 158350701 /nfs/dbraw/zinc/35/07/01/158350701.db2.gz NDKPPXAHEHSAGL-ZIAGYGMSSA-N 1 0 321.421 2.906 20 5 DFBDRO COc1cc(N(C)CCC[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000358668194 158396931 /nfs/dbraw/zinc/39/69/31/158396931.db2.gz SCCUCQBRVFHAJF-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCC[NH2+]1 ZINC000373529345 158748930 /nfs/dbraw/zinc/74/89/30/158748930.db2.gz MSIJZBUPXPMARD-INIZCTEOSA-N 1 0 319.405 2.566 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000375680226 158848713 /nfs/dbraw/zinc/84/87/13/158848713.db2.gz ZSBKHRNUEOUONJ-KGLIPLIRSA-N 1 0 322.409 2.509 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493725448 299816993 /nfs/dbraw/zinc/81/69/93/299816993.db2.gz OMCDBFRGYKOGGI-MDZDMXLPSA-N 1 0 319.405 2.845 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178672117 286927109 /nfs/dbraw/zinc/92/71/09/286927109.db2.gz BIHULIPOQNEBDS-IUODEOHRSA-N 1 0 307.394 2.891 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119773431 287041138 /nfs/dbraw/zinc/04/11/38/287041138.db2.gz VIIYZMNJZHRLQU-LLVKDONJSA-N 1 0 314.345 2.936 20 5 DFBDRO COc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000129080111 196017182 /nfs/dbraw/zinc/01/71/82/196017182.db2.gz PKVRPCZGDVNOPS-GWCFXTLKSA-N 1 0 311.357 2.883 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C)[C@H](n3ccnc3)C2)n1 ZINC000129861635 196081490 /nfs/dbraw/zinc/08/14/90/196081490.db2.gz XBTSPVXTCIZUHR-SMDDNHRTSA-N 1 0 301.350 2.582 20 5 DFBDRO Cc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000129882561 196083584 /nfs/dbraw/zinc/08/35/84/196083584.db2.gz MOYPSPDNEWLUFK-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133042385 196307083 /nfs/dbraw/zinc/30/70/83/196307083.db2.gz CWJQZGSYNGHWEP-UKRRQHHQSA-N 1 0 305.378 2.646 20 5 DFBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@@H]1c1ccccc1 ZINC000134265693 196374357 /nfs/dbraw/zinc/37/43/57/196374357.db2.gz QPRIQFQFYXSYBF-OAHLLOKOSA-N 1 0 314.389 2.917 20 5 DFBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433284921 296904355 /nfs/dbraw/zinc/90/43/55/296904355.db2.gz HEVNGUSLZKIDRG-MLGOLLRUSA-N 1 0 317.389 2.528 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000296642823 226079000 /nfs/dbraw/zinc/07/90/00/226079000.db2.gz CEBRVMLKWYODSF-SJKOYZFVSA-N 1 0 318.348 2.988 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3c2cccc3O)cc1 ZINC000296646566 226083989 /nfs/dbraw/zinc/08/39/89/226083989.db2.gz IQOPJBHFSQWQKC-MRXNPFEDSA-N 1 0 314.341 2.956 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@H](C)OC ZINC000291210021 222225697 /nfs/dbraw/zinc/22/56/97/222225697.db2.gz KQIMZUCMZMBRJL-LBPRGKRZSA-N 1 0 323.393 2.589 20 5 DFBDRO CC[C@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000265655723 287500937 /nfs/dbraw/zinc/50/09/37/287500937.db2.gz ZWIJQXYSCAOVLG-SWLSCSKDSA-N 1 0 307.394 2.892 20 5 DFBDRO C[NH+](C)CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000434847536 296948056 /nfs/dbraw/zinc/94/80/56/296948056.db2.gz XQMWXGYAFDZDFG-UHFFFAOYSA-N 1 0 318.377 2.510 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000299396899 229097238 /nfs/dbraw/zinc/09/72/38/229097238.db2.gz UOLFUYDITRSBNT-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[NH+](C)CCCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000299507386 229165349 /nfs/dbraw/zinc/16/53/49/229165349.db2.gz QAURMKJYXMPRND-UHFFFAOYSA-N 1 0 321.421 2.964 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302022959 230043412 /nfs/dbraw/zinc/04/34/12/230043412.db2.gz GLWXGYLOJQGDGD-ZIAGYGMSSA-N 1 0 321.421 2.867 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302178049 230144306 /nfs/dbraw/zinc/14/43/06/230144306.db2.gz PIDYOVSXXRPNDB-XJKSGUPXSA-N 1 0 312.373 2.922 20 5 DFBDRO CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067376959 425909922 /nfs/dbraw/zinc/90/99/22/425909922.db2.gz NEZMVJQUTRLDRQ-XJKSGUPXSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1sc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000068223754 425916857 /nfs/dbraw/zinc/91/68/57/425916857.db2.gz SHRXYQKUAQQTBS-NSHDSACASA-N 1 0 313.423 2.671 20 5 DFBDRO COC[C@@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102418943 425921175 /nfs/dbraw/zinc/92/11/75/425921175.db2.gz PDWNPRMWDOCONR-LLVKDONJSA-N 1 0 320.345 2.988 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000102758692 425927213 /nfs/dbraw/zinc/92/72/13/425927213.db2.gz DNNCEVOTDKYTLS-UHFFFAOYSA-N 1 0 307.394 2.837 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)C1CC1 ZINC000044898262 425858678 /nfs/dbraw/zinc/85/86/78/425858678.db2.gz NCIAZJZMXMGLRR-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1[N+](=O)[O-] ZINC000189730746 267953037 /nfs/dbraw/zinc/95/30/37/267953037.db2.gz ZLMTZEIDNBOQDI-UHFFFAOYSA-N 1 0 307.394 2.836 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046949481 425867285 /nfs/dbraw/zinc/86/72/85/425867285.db2.gz RRNHGVJSGKSDRF-MRXNPFEDSA-N 1 0 319.405 2.835 20 5 DFBDRO CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000192456590 268037531 /nfs/dbraw/zinc/03/75/31/268037531.db2.gz WKWPMMTVQMBBRO-UHFFFAOYSA-N 1 0 310.423 2.752 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000193487437 268070744 /nfs/dbraw/zinc/07/07/44/268070744.db2.gz ZMASXSPBCPEROE-STQMWFEESA-N 1 0 320.393 2.837 20 5 DFBDRO CC[C@@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000269041200 268188413 /nfs/dbraw/zinc/18/84/13/268188413.db2.gz UBYJQJGZJITNEX-LDZOIKDWSA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@H](O)C(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000270724215 268206747 /nfs/dbraw/zinc/20/67/47/268206747.db2.gz PCQIHKJBGBQKDT-JTQLQIEISA-N 1 0 321.402 2.967 20 5 DFBDRO Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000270793956 268217535 /nfs/dbraw/zinc/21/75/35/268217535.db2.gz BJISVXJROZUDJW-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000272200015 268251396 /nfs/dbraw/zinc/25/13/96/268251396.db2.gz GGLZNFCIZQDDLX-DGCLKSJQSA-N 1 0 319.405 2.702 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000273513573 268254655 /nfs/dbraw/zinc/25/46/55/268254655.db2.gz XHCCJLQUPGSJHN-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO COc1cccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000278172921 268267238 /nfs/dbraw/zinc/26/72/38/268267238.db2.gz PDSMIXULTVXRPI-ZDUSSCGKSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1nccn1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856283 268268579 /nfs/dbraw/zinc/26/85/79/268268579.db2.gz VZBWBVVHFZUHCQ-INIZCTEOSA-N 1 0 300.362 2.767 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000296330722 268302606 /nfs/dbraw/zinc/30/26/06/268302606.db2.gz QTDPMISXKZBZNI-WQVCFCJDSA-N 1 0 320.389 2.897 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000308666418 268335068 /nfs/dbraw/zinc/33/50/68/268335068.db2.gz GNHFLIFXEGXRLZ-UHFFFAOYSA-N 1 0 309.395 2.590 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000125594005 425982065 /nfs/dbraw/zinc/98/20/65/425982065.db2.gz NPBYXIUMOZIGMY-ZDUSSCGKSA-N 1 0 317.389 2.684 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528877 425994501 /nfs/dbraw/zinc/99/45/01/425994501.db2.gz RCSKRIJJCLJVHL-INIZCTEOSA-N 1 0 317.389 2.685 20 5 DFBDRO Cc1sc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000103976410 425955981 /nfs/dbraw/zinc/95/59/81/425955981.db2.gz JAGDXUDDOHBFPB-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000125348025 425968149 /nfs/dbraw/zinc/96/81/49/425968149.db2.gz JWYLIYNVDYSWTH-CYBMUJFWSA-N 1 0 305.378 2.964 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)C2CCCCC2)c1 ZINC000111303525 426046315 /nfs/dbraw/zinc/04/63/15/426046315.db2.gz XVKMMFRIMRQDAH-UHFFFAOYSA-N 1 0 308.378 2.601 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000111299547 426046336 /nfs/dbraw/zinc/04/63/36/426046336.db2.gz AJICUZRQSRBEQF-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000161973197 426046935 /nfs/dbraw/zinc/04/69/35/426046935.db2.gz IRRLAULNKXUNEC-LBPRGKRZSA-N 1 0 313.785 2.694 20 5 DFBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000108364294 426014083 /nfs/dbraw/zinc/01/40/83/426014083.db2.gz PZHAQOWYKUBVJK-INIZCTEOSA-N 1 0 322.405 2.988 20 5 DFBDRO CN(CCOc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000075861160 426087341 /nfs/dbraw/zinc/08/73/41/426087341.db2.gz JDDTVYQBRXNXKL-OAHLLOKOSA-N 1 0 321.421 2.780 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076004352 426093210 /nfs/dbraw/zinc/09/32/10/426093210.db2.gz GFSFUXLSXDLNFG-OAHLLOKOSA-N 1 0 321.421 2.637 20 5 DFBDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367459 426097693 /nfs/dbraw/zinc/09/76/93/426097693.db2.gz NGOKILNRHDJJRN-ZBFHGGJFSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408204 426099308 /nfs/dbraw/zinc/09/93/08/426099308.db2.gz OGDREKATFGBTOE-IRXDYDNUSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCCO3)cs2)c1 ZINC000113312829 426111813 /nfs/dbraw/zinc/11/18/13/426111813.db2.gz OMMACGBRSMLKEM-AWEZNQCLSA-N 1 0 319.386 2.987 20 5 DFBDRO C[NH+](C)CCCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312270 426112133 /nfs/dbraw/zinc/11/21/33/426112133.db2.gz BIWWTQCIVKXZQA-UHFFFAOYSA-N 1 0 320.418 2.760 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076485743 426112908 /nfs/dbraw/zinc/11/29/08/426112908.db2.gz SYGLSZGAONJFKR-UHFFFAOYSA-N 1 0 308.382 2.646 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000127591332 426074839 /nfs/dbraw/zinc/07/48/39/426074839.db2.gz ZIBFPSLEQVBIOX-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO CCC[N@@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112409130 426076644 /nfs/dbraw/zinc/07/66/44/426076644.db2.gz OPCZSMOAYQCTDE-UHFFFAOYSA-N 1 0 321.421 2.781 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075538644 426077133 /nfs/dbraw/zinc/07/71/33/426077133.db2.gz NAIIPTIYPGQTMV-CYBMUJFWSA-N 1 0 320.393 2.790 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000162875111 426080946 /nfs/dbraw/zinc/08/09/46/426080946.db2.gz YGRCYLQGJZQASV-LLVKDONJSA-N 1 0 311.407 2.564 20 5 DFBDRO Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000077729690 426146846 /nfs/dbraw/zinc/14/68/46/426146846.db2.gz JROAWCBPOKVPQS-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO O=C1OCC[C@@H]1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130232017 426151295 /nfs/dbraw/zinc/15/12/95/426151295.db2.gz CJDMMLMLKIUVIV-ZDUSSCGKSA-N 1 0 304.346 2.512 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000170973921 426162543 /nfs/dbraw/zinc/16/25/43/426162543.db2.gz AEBMCHOVOPBLIL-CYBMUJFWSA-N 1 0 323.418 2.747 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000078420190 426169380 /nfs/dbraw/zinc/16/93/80/426169380.db2.gz BIAJHLDSQPFLQG-OAHLLOKOSA-N 1 0 303.362 2.889 20 5 DFBDRO C[N@H+](CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000078510264 426172952 /nfs/dbraw/zinc/17/29/52/426172952.db2.gz DCGDGXZPQQASGH-ZHACJKMWSA-N 1 0 317.389 2.599 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000116128470 426180321 /nfs/dbraw/zinc/18/03/21/426180321.db2.gz NQUOSKPDTNCNPT-NSHDSACASA-N 1 0 313.423 2.753 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C ZINC000116128468 426180468 /nfs/dbraw/zinc/18/04/68/426180468.db2.gz NQUOSKPDTNCNPT-LLVKDONJSA-N 1 0 313.423 2.753 20 5 DFBDRO Cc1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000135890033 426229503 /nfs/dbraw/zinc/22/95/03/426229503.db2.gz RCSWLYIGXDFYMI-SFHVURJKSA-N 1 0 312.369 2.827 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000142108465 426257542 /nfs/dbraw/zinc/25/75/42/426257542.db2.gz SBYDAMJCZCIYPQ-WOPDTQHZSA-N 1 0 323.393 2.955 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087103151 426264649 /nfs/dbraw/zinc/26/46/49/426264649.db2.gz PTEAVODWPRVOMT-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117338560 426211880 /nfs/dbraw/zinc/21/18/80/426211880.db2.gz DPCQTGMJRZMZJZ-NSHDSACASA-N 1 0 307.350 2.623 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121209572 426324301 /nfs/dbraw/zinc/32/43/01/426324301.db2.gz ZMCHZKGGRHNQKM-ZDUSSCGKSA-N 1 0 313.357 2.908 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000090887874 426333394 /nfs/dbraw/zinc/33/33/94/426333394.db2.gz ONDULWYWBUTPEO-NSHDSACASA-N 1 0 318.377 2.886 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000122803175 426396246 /nfs/dbraw/zinc/39/62/46/426396246.db2.gz KFTPFMBZVHOIOU-HNNXBMFYSA-N 1 0 318.377 2.687 20 5 DFBDRO CC[NH+](CC)CCSc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000176667248 426403548 /nfs/dbraw/zinc/40/35/48/426403548.db2.gz ZNQFYHJYDIYNGZ-UHFFFAOYSA-N 1 0 323.418 2.913 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153762394 426404243 /nfs/dbraw/zinc/40/42/43/426404243.db2.gz ZDUBEVYFRPAQBG-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176208514 426360544 /nfs/dbraw/zinc/36/05/44/426360544.db2.gz RTVLVGBXGYSXTD-LBPRGKRZSA-N 1 0 306.391 2.862 20 5 DFBDRO C[C@H](c1cc(F)ccc1F)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211804 426361112 /nfs/dbraw/zinc/36/11/12/426361112.db2.gz ZEQTYMZMHXDOHQ-SNVBAGLBSA-N 1 0 310.304 2.763 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246374 426362854 /nfs/dbraw/zinc/36/28/54/426362854.db2.gz PZBCVCNUPJMACR-UKRRQHHQSA-N 1 0 300.362 2.669 20 5 DFBDRO CC1CC[NH+](CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122229093 426364165 /nfs/dbraw/zinc/36/41/65/426364165.db2.gz LESWNOJFSHQTNV-UHFFFAOYSA-N 1 0 319.405 2.678 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153135177 426372650 /nfs/dbraw/zinc/37/26/50/426372650.db2.gz AGYKXIXKCNLWJW-KBPBESRZSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1cc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122397057 426374183 /nfs/dbraw/zinc/37/41/83/426374183.db2.gz OHKQWLMTGNCJPU-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO NC(=O)C1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000123004586 426409783 /nfs/dbraw/zinc/40/97/83/426409783.db2.gz CPMPMFHABRYDGR-UHFFFAOYSA-N 1 0 311.769 2.526 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153851213 426410676 /nfs/dbraw/zinc/41/06/76/426410676.db2.gz MMDQXBCSIZRYCE-LBPRGKRZSA-N 1 0 312.801 2.954 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153966876 426416349 /nfs/dbraw/zinc/41/63/49/426416349.db2.gz IHJIGKJXLRIZIL-KRWDZBQOSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ncc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000123191559 426418768 /nfs/dbraw/zinc/41/87/68/426418768.db2.gz PRSJZQPRFLZQCS-NSHDSACASA-N 1 0 300.362 2.895 20 5 DFBDRO CCCO[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154188743 426428784 /nfs/dbraw/zinc/42/87/84/426428784.db2.gz FHGZHMLKIQEPNS-SJORKVTESA-N 1 0 322.405 2.909 20 5 DFBDRO C[N@H+](CCc1cccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154378094 426437633 /nfs/dbraw/zinc/43/76/33/426437633.db2.gz GQWNHFCGPHZTIT-OAHLLOKOSA-N 1 0 306.387 2.864 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000154487160 426443031 /nfs/dbraw/zinc/44/30/31/426443031.db2.gz BATJHVHSJBHSRI-CVEARBPZSA-N 1 0 301.346 2.793 20 5 DFBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ccncc3[N+](=O)[O-])cccc21 ZINC000340860785 269023773 /nfs/dbraw/zinc/02/37/73/269023773.db2.gz CPJOPIXPOJRGOI-CQSZACIVSA-N 1 0 314.345 2.541 20 5 DFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340871155 269025120 /nfs/dbraw/zinc/02/51/20/269025120.db2.gz ODNKBIDTFYDSJL-LBPRGKRZSA-N 1 0 315.801 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341061847 269037149 /nfs/dbraw/zinc/03/71/49/269037149.db2.gz OYOKSWARCPDNSJ-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341075965 269039826 /nfs/dbraw/zinc/03/98/26/269039826.db2.gz ZFRXGZGIMVNIKE-CHWSQXEVSA-N 1 0 305.378 2.588 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123700717 426448437 /nfs/dbraw/zinc/44/84/37/426448437.db2.gz DHDQZZFLJMATSP-HOMMJUPQSA-N 1 0 317.389 2.549 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc3c[nH]nc3c2)cs1 ZINC000341262733 269054954 /nfs/dbraw/zinc/05/49/54/269054954.db2.gz CXUQOSJLSRRVJF-UHFFFAOYSA-N 1 0 302.359 2.865 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000341264715 269055381 /nfs/dbraw/zinc/05/53/81/269055381.db2.gz PXYYESMDYRZMDR-WFASDCNBSA-N 1 0 308.378 2.898 20 5 DFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000123762779 426452534 /nfs/dbraw/zinc/45/25/34/426452534.db2.gz DBQNSURNRICBOH-AWEZNQCLSA-N 1 0 314.389 2.783 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177218499 426454849 /nfs/dbraw/zinc/45/48/49/426454849.db2.gz RSUMCHWDELFIJA-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO COc1cc(CCNc2cc[nH+]cc2C)c([N+](=O)[O-])cc1OC ZINC000195339841 426517578 /nfs/dbraw/zinc/51/75/78/426517578.db2.gz QVDNURLJUXSKFM-UHFFFAOYSA-N 1 0 317.345 2.970 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+](C)C ZINC000195333819 426517865 /nfs/dbraw/zinc/51/78/65/426517865.db2.gz BNPRYKOMUQSIEE-NSHDSACASA-N 1 0 323.422 2.896 20 5 DFBDRO COc1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000272446158 426526715 /nfs/dbraw/zinc/52/67/15/426526715.db2.gz UZZJJNMEKDSVOC-UHFFFAOYSA-N 1 0 302.330 2.941 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177860201 426529549 /nfs/dbraw/zinc/52/95/49/426529549.db2.gz ANSLHOSOQYEXNU-ZDUSSCGKSA-N 1 0 319.405 2.852 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177874922 426531813 /nfs/dbraw/zinc/53/18/13/426531813.db2.gz YAJIBZLSRJLNHD-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194697618 426490607 /nfs/dbraw/zinc/49/06/07/426490607.db2.gz UTBFCNWBHOFMFF-WFASDCNBSA-N 1 0 321.333 2.550 20 5 DFBDRO CC(C)C1(C)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000186198773 426493562 /nfs/dbraw/zinc/49/35/62/426493562.db2.gz KLNQIYNGGLFCIY-UHFFFAOYSA-N 1 0 319.405 2.952 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177559222 426494671 /nfs/dbraw/zinc/49/46/71/426494671.db2.gz LVQBCQRGAYIOKW-MNOVXSKESA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000177592658 426498037 /nfs/dbraw/zinc/49/80/37/426498037.db2.gz NRUGKTKNHJUALW-CHWSQXEVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178095359 426570937 /nfs/dbraw/zinc/57/09/37/426570937.db2.gz OLPQJYKGJODLFO-NWDGAFQWSA-N 1 0 307.394 2.857 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264548805 426571618 /nfs/dbraw/zinc/57/16/18/426571618.db2.gz CJVBTAQMWNWEQJ-OAHLLOKOSA-N 1 0 318.377 2.687 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280636590 426621100 /nfs/dbraw/zinc/62/11/00/426621100.db2.gz XUZVHJYTABJHAC-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000273057595 426583968 /nfs/dbraw/zinc/58/39/68/426583968.db2.gz YBJQMZIYZCMXPS-SNVBAGLBSA-N 1 0 323.780 2.628 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000265167487 426589110 /nfs/dbraw/zinc/58/91/10/426589110.db2.gz CYYCPLDNGGHULA-HUUCEWRRSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000178255337 426594602 /nfs/dbraw/zinc/59/46/02/426594602.db2.gz DWQBZCNBRZTNNO-KBPBESRZSA-N 1 0 322.409 2.600 20 5 DFBDRO COC1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000265209141 426596932 /nfs/dbraw/zinc/59/69/32/426596932.db2.gz LPTNAAYQTYMPFK-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO O=C(CC[N@@H+]1CCCC2(CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000186963834 426614098 /nfs/dbraw/zinc/61/40/98/426614098.db2.gz QFQDCRMDAUXOHY-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO C[S@@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000280624790 426617305 /nfs/dbraw/zinc/61/73/05/426617305.db2.gz LKGXBOUPNCPBLY-HXUWFJFHSA-N 1 0 316.810 2.639 20 5 DFBDRO CCC(=O)c1ccc(NCCN2CCSCC2)c([N+](=O)[O-])c1 ZINC000280632079 426618396 /nfs/dbraw/zinc/61/83/96/426618396.db2.gz CLLSEYYFZYVSDY-UHFFFAOYSA-N 1 0 323.418 2.648 20 5 DFBDRO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178447884 426631313 /nfs/dbraw/zinc/63/13/13/426631313.db2.gz AYQSLHQVEOADMI-LRDDRELGSA-N 1 0 316.357 2.988 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000178490428 426639618 /nfs/dbraw/zinc/63/96/18/426639618.db2.gz FVXCGQNFCFLOEM-GFCCVEGCSA-N 1 0 317.345 2.577 20 5 DFBDRO COC(=O)CCCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000289379649 426639923 /nfs/dbraw/zinc/63/99/23/426639923.db2.gz BSFXLBYXTMPHBJ-VQHVLOKHSA-N 1 0 306.362 2.931 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000178493776 426641555 /nfs/dbraw/zinc/64/15/55/426641555.db2.gz YNFOVBQQLCNHBX-WCQYABFASA-N 1 0 305.378 2.565 20 5 DFBDRO CC1=C(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000280787599 426657464 /nfs/dbraw/zinc/65/74/64/426657464.db2.gz QRSDCHRKXREYEU-UHFFFAOYSA-N 1 0 303.362 2.966 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000178620407 426665766 /nfs/dbraw/zinc/66/57/66/426665766.db2.gz WWLCBSZLRQXBJK-MRXNPFEDSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000265648614 426668935 /nfs/dbraw/zinc/66/89/35/426668935.db2.gz XTLHNKAEXVVHLZ-CQSZACIVSA-N 1 0 307.394 2.674 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641712 426670015 /nfs/dbraw/zinc/67/00/15/426670015.db2.gz CCGNWTCUEXULRB-ZDUSSCGKSA-N 1 0 313.357 2.675 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000289674435 426670567 /nfs/dbraw/zinc/67/05/67/426670567.db2.gz NQJVAABGNXXUGE-GMBUGEKQSA-N 1 0 302.374 2.758 20 5 DFBDRO O=[N+]([O-])c1cnc(NCc2ccc(C[NH+]3CCCC3)cc2)nc1 ZINC000273553105 426684769 /nfs/dbraw/zinc/68/47/69/426684769.db2.gz AMIOETFCQVULDD-UHFFFAOYSA-N 1 0 313.361 2.593 20 5 DFBDRO C[C@@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000178401227 426622795 /nfs/dbraw/zinc/62/27/95/426622795.db2.gz BBYFETMUWHJYNP-STQMWFEESA-N 1 0 319.405 2.798 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000273245977 426625329 /nfs/dbraw/zinc/62/53/29/426625329.db2.gz ZQJLDQDKCMTUDF-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO CSc1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178847159 426706268 /nfs/dbraw/zinc/70/62/68/426706268.db2.gz YIQVAKGJAYVIOJ-JTQLQIEISA-N 1 0 323.418 2.516 20 5 DFBDRO CC(C)OCCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265900046 426706765 /nfs/dbraw/zinc/70/67/65/426706765.db2.gz URQHDWVYJZMNEW-UHFFFAOYSA-N 1 0 324.377 2.708 20 5 DFBDRO COc1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000265905015 426709067 /nfs/dbraw/zinc/70/90/67/426709067.db2.gz VXGFXHSMCMNMPS-OAHLLOKOSA-N 1 0 316.357 2.817 20 5 DFBDRO CCOc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898293 426713879 /nfs/dbraw/zinc/71/38/79/426713879.db2.gz VIBPYFJVSKZYDR-KGLIPLIRSA-N 1 0 319.405 2.914 20 5 DFBDRO COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504432 426779881 /nfs/dbraw/zinc/77/98/81/426779881.db2.gz PHATXFWXXSKABE-LSDHHAIUSA-N 1 0 319.405 2.520 20 5 DFBDRO COc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518358 426783693 /nfs/dbraw/zinc/78/36/93/426783693.db2.gz CBKUDNNKNXAIFF-WDEREUQCSA-N 1 0 321.377 2.649 20 5 DFBDRO CSc1ccccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000281908303 426790121 /nfs/dbraw/zinc/79/01/21/426790121.db2.gz CAGDXCHOMVLTBQ-LLVKDONJSA-N 1 0 306.391 2.864 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000266534430 426734574 /nfs/dbraw/zinc/73/45/74/426734574.db2.gz NNXIFYYIRKYPJR-QWHCGFSZSA-N 1 0 306.362 2.741 20 5 DFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000274311748 426741022 /nfs/dbraw/zinc/74/10/22/426741022.db2.gz MNSGAUUTEOZVQQ-JKSUJKDBSA-N 1 0 324.352 2.790 20 5 DFBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000290380755 426754379 /nfs/dbraw/zinc/75/43/79/426754379.db2.gz BBDITUVSEXMTCK-MRXNPFEDSA-N 1 0 300.362 2.855 20 5 DFBDRO Cc1ccnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1[N+](=O)[O-] ZINC000266687667 426761723 /nfs/dbraw/zinc/76/17/23/426761723.db2.gz COZJMLMDPTXPNM-KGLIPLIRSA-N 1 0 304.394 2.750 20 5 DFBDRO O=[N+]([O-])c1cc(CN[C@@]2(CO)CCCc3ccccc32)cs1 ZINC000281785928 426765394 /nfs/dbraw/zinc/76/53/94/426765394.db2.gz UAWZZRQGHSRSLG-MRXNPFEDSA-N 1 0 318.398 2.970 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c1 ZINC000266939528 426800198 /nfs/dbraw/zinc/80/01/98/426800198.db2.gz QSGHQZNCMXNPNK-ZDUSSCGKSA-N 1 0 316.361 2.576 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000282104197 426830500 /nfs/dbraw/zinc/83/05/00/426830500.db2.gz ZPXMRBJDMINSOJ-LLVKDONJSA-N 1 0 323.418 2.518 20 5 DFBDRO CC(=O)NCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290865747 426857834 /nfs/dbraw/zinc/85/78/34/426857834.db2.gz KUMGDEJVNPVKEP-UHFFFAOYSA-N 1 0 320.176 2.517 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000274774759 426833308 /nfs/dbraw/zinc/83/33/08/426833308.db2.gz DJYWBJNCUAAVEL-LBPRGKRZSA-N 1 0 318.377 2.675 20 5 DFBDRO C[C@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@@H+]1C1CC1 ZINC000290785757 426839426 /nfs/dbraw/zinc/83/94/26/426839426.db2.gz NQXIZUQOSALYNL-QWRGUYRKSA-N 1 0 302.378 2.600 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccc([N+](=O)[O-])c2ccccc12)C1CC1 ZINC000290818608 426846856 /nfs/dbraw/zinc/84/68/56/426846856.db2.gz SEPKHVWXAAFJEB-ZDUSSCGKSA-N 1 0 316.357 2.582 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000274842952 426849704 /nfs/dbraw/zinc/84/97/04/426849704.db2.gz UPXFSKNCYNYUMS-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246707989 426856333 /nfs/dbraw/zinc/85/63/33/426856333.db2.gz KYWVXPOMOLTIQR-OLZOCXBDSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246025704 426790907 /nfs/dbraw/zinc/79/09/07/426790907.db2.gz NEZMVJQUTRLDRQ-BBRMVZONSA-N 1 0 317.389 2.822 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000266918551 426796577 /nfs/dbraw/zinc/79/65/77/426796577.db2.gz KTFDHPRZAPJTEA-UHFFFAOYSA-N 1 0 319.405 2.714 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282239593 426859524 /nfs/dbraw/zinc/85/95/24/426859524.db2.gz ZWSOYOXHOJEJTD-MRXNPFEDSA-N 1 0 320.389 2.913 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000295220483 426865300 /nfs/dbraw/zinc/86/53/00/426865300.db2.gz QYYHIQOPJFNJOI-ZDUSSCGKSA-N 1 0 306.362 2.795 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246954439 426881716 /nfs/dbraw/zinc/88/17/16/426881716.db2.gz MBEVIESOCJBIFB-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291387224 426883592 /nfs/dbraw/zinc/88/35/92/426883592.db2.gz BCTMFHCVVYHFRE-RYUDHWBXSA-N 1 0 314.332 2.914 20 5 DFBDRO Cc1c(C[NH2+][C@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000305238808 426899458 /nfs/dbraw/zinc/89/94/58/426899458.db2.gz PELVMRZIPPGRKK-SFHVURJKSA-N 1 0 312.369 2.827 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1F ZINC000283064281 426946058 /nfs/dbraw/zinc/94/60/58/426946058.db2.gz JQXAKCLTUBOOHA-BBRMVZONSA-N 1 0 308.353 2.861 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000181785180 426978830 /nfs/dbraw/zinc/97/88/30/426978830.db2.gz YZFPZPBTSFTTBF-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@H](C)[NH+](C)C ZINC000295511029 426987870 /nfs/dbraw/zinc/98/78/70/426987870.db2.gz LNAWLZMDPOZVCV-JTQLQIEISA-N 1 0 304.350 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+](CCO)C3CCC3)co2)cc1 ZINC000275892352 426941829 /nfs/dbraw/zinc/94/18/29/426941829.db2.gz SJUUZXSNTVFYKH-UHFFFAOYSA-N 1 0 317.345 2.597 20 5 DFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000295403606 426943833 /nfs/dbraw/zinc/94/38/33/426943833.db2.gz ITMSGGQDBRIWAP-AWEZNQCLSA-N 1 0 319.405 2.835 20 5 DFBDRO CCn1nccc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283329429 426996675 /nfs/dbraw/zinc/99/66/75/426996675.db2.gz YZBCBSZAPCHQME-UHFFFAOYSA-N 1 0 302.378 2.528 20 5 DFBDRO Cc1cnc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000268363984 426997788 /nfs/dbraw/zinc/99/77/88/426997788.db2.gz XMHOHODBZRNVOE-OKILXGFUSA-N 1 0 322.409 2.600 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000292024736 427061492 /nfs/dbraw/zinc/06/14/92/427061492.db2.gz WZEVZYYMWJUYND-LLVKDONJSA-N 1 0 319.361 2.800 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cccc1[N+](=O)[O-] ZINC000283488247 427023695 /nfs/dbraw/zinc/02/36/95/427023695.db2.gz XRXDFCTVGMZKJQ-WFASDCNBSA-N 1 0 317.389 2.755 20 5 DFBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248636424 427024663 /nfs/dbraw/zinc/02/46/63/427024663.db2.gz YCJAXMPGJVVEKF-HUUCEWRRSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182233275 427036214 /nfs/dbraw/zinc/03/62/14/427036214.db2.gz XXMNGBABSAHEOC-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000182257060 427042392 /nfs/dbraw/zinc/04/23/92/427042392.db2.gz YBPUMWJVHAUZCA-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248833483 427047769 /nfs/dbraw/zinc/04/77/69/427047769.db2.gz MZVPPXHVWCWVFP-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292062426 427075771 /nfs/dbraw/zinc/07/57/71/427075771.db2.gz CRGZJLGYJLUSSJ-OAHLLOKOSA-N 1 0 309.797 2.776 20 5 DFBDRO C[C@H](CCc1c(F)cccc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000337988912 427077713 /nfs/dbraw/zinc/07/77/13/427077713.db2.gz PISXMZWKWFEKBN-LLVKDONJSA-N 1 0 324.331 2.680 20 5 DFBDRO C[C@H](CCCC[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000292101194 427088508 /nfs/dbraw/zinc/08/85/08/427088508.db2.gz OLDIVCNCTKOFFO-GFCCVEGCSA-N 1 0 307.394 2.506 20 5 DFBDRO CCn1nccc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292119675 427098337 /nfs/dbraw/zinc/09/83/37/427098337.db2.gz KDFUYEMXCTXKRH-UHFFFAOYSA-N 1 0 302.378 2.879 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000268728109 427102759 /nfs/dbraw/zinc/10/27/59/427102759.db2.gz WXXDNLONZOONRW-HNNXBMFYSA-N 1 0 313.357 2.952 20 5 DFBDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249332047 427106830 /nfs/dbraw/zinc/10/68/30/427106830.db2.gz PHUUQMQOKAJQNQ-QLFBSQMISA-N 1 0 321.421 2.745 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000338064073 427123624 /nfs/dbraw/zinc/12/36/24/427123624.db2.gz YKOPSTQBSKFSDP-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CS[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296311704 427145441 /nfs/dbraw/zinc/14/54/41/427145441.db2.gz OFBWUVDXUYSMHP-ZDUSSCGKSA-N 1 0 323.418 2.669 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269276085 427158544 /nfs/dbraw/zinc/15/85/44/427158544.db2.gz OSEHLPDZIDNFAT-FZMZJTMJSA-N 1 0 319.405 2.702 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246855686 271261632 /nfs/dbraw/zinc/26/16/32/271261632.db2.gz CTGGYWDODNBCKZ-GJZGRUSLSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)C3CC3)o2)c1 ZINC000265207108 271280122 /nfs/dbraw/zinc/28/01/22/271280122.db2.gz CJRNSXWEBOUOGA-HNNXBMFYSA-N 1 0 302.330 2.715 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000266102623 271283849 /nfs/dbraw/zinc/28/38/49/271283849.db2.gz GEGYJKYWDLMIPP-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1nc(NC2CC[NH+](C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000297427035 271359043 /nfs/dbraw/zinc/35/90/43/271359043.db2.gz HOMRQDPWNASJOQ-UHFFFAOYSA-N 1 0 319.409 2.902 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C(C)(C)CO)o2)c([N+](=O)[O-])c1 ZINC000304228896 271368510 /nfs/dbraw/zinc/36/85/10/271368510.db2.gz MMWIORRPSBWBNI-UHFFFAOYSA-N 1 0 320.345 2.724 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296546637 427218036 /nfs/dbraw/zinc/21/80/36/427218036.db2.gz SNSWZPCAZMUSKB-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)n1 ZINC000284345600 427185745 /nfs/dbraw/zinc/18/57/45/427185745.db2.gz NAJUSZHICVZEBG-MRXNPFEDSA-N 1 0 314.389 2.748 20 5 DFBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000190949424 427211811 /nfs/dbraw/zinc/21/18/11/427211811.db2.gz WNBIANPJIIIAHF-CMPLNLGQSA-N 1 0 316.304 2.853 20 5 DFBDRO Cc1c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285450981 427237014 /nfs/dbraw/zinc/23/70/14/427237014.db2.gz GHMLIZCBZYOELD-XJKSGUPXSA-N 1 0 303.406 2.962 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000337227048 271480936 /nfs/dbraw/zinc/48/09/36/271480936.db2.gz GCMOSHHBKJTFHF-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000269654971 427241532 /nfs/dbraw/zinc/24/15/32/427241532.db2.gz JAJNDAYDEOTWSV-UHFFFAOYSA-N 1 0 313.785 2.660 20 5 DFBDRO Cc1cc(NC(=O)NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000338340036 427264054 /nfs/dbraw/zinc/26/40/54/427264054.db2.gz XWQOFMVWCDHQCB-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330578518 427266710 /nfs/dbraw/zinc/26/67/10/427266710.db2.gz HSQKCFLUWHDHJF-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191302629 427314600 /nfs/dbraw/zinc/31/46/00/427314600.db2.gz QIVBBCOTHGTFEI-CQSZACIVSA-N 1 0 321.377 2.710 20 5 DFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000285704645 427315744 /nfs/dbraw/zinc/31/57/44/427315744.db2.gz WDWFJXSRVWIWNU-KRWDZBQOSA-N 1 0 300.358 2.980 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000270046982 427318681 /nfs/dbraw/zinc/31/86/81/427318681.db2.gz BIJMZLVSACZSLZ-LBPRGKRZSA-N 1 0 324.812 2.811 20 5 DFBDRO Cn1ccnc1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270046820 427318783 /nfs/dbraw/zinc/31/87/83/427318783.db2.gz TZGUBTKBAXUGFY-HIFRSBDPSA-N 1 0 314.389 2.829 20 5 DFBDRO Nc1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000285737777 427323209 /nfs/dbraw/zinc/32/32/09/427323209.db2.gz TWDLPMVVDPFVDR-OAHLLOKOSA-N 1 0 312.373 2.863 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000338682439 271574095 /nfs/dbraw/zinc/57/40/95/271574095.db2.gz ZKIFNSXEEQULIA-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(C)CC1 ZINC000270368251 427335756 /nfs/dbraw/zinc/33/57/56/427335756.db2.gz SXZKQLZTDOEUGB-UHFFFAOYSA-N 1 0 303.362 2.884 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000261860101 427344574 /nfs/dbraw/zinc/34/45/74/427344574.db2.gz KHRQFNNZIQHJRL-KWCYVHTRSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000277712031 427294304 /nfs/dbraw/zinc/29/43/04/427294304.db2.gz IVFBHIQZZHIJPB-UHFFFAOYSA-N 1 0 320.349 2.789 20 5 DFBDRO CCC(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713882 427296939 /nfs/dbraw/zinc/29/69/39/427296939.db2.gz ABKWFPBJDQQIFJ-KGLIPLIRSA-N 1 0 319.405 2.955 20 5 DFBDRO Cc1sc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000297252661 427372084 /nfs/dbraw/zinc/37/20/84/427372084.db2.gz UBBVDYSDWMRCSG-UHFFFAOYSA-N 1 0 323.418 2.711 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000331238083 427378206 /nfs/dbraw/zinc/37/82/06/427378206.db2.gz IITSJPDAQCZIQF-INIZCTEOSA-N 1 0 321.421 2.766 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000271050407 427388428 /nfs/dbraw/zinc/38/84/28/427388428.db2.gz SVBFYLDNNJHUHQ-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285975142 427389655 /nfs/dbraw/zinc/38/96/55/427389655.db2.gz WURUYJKBDJHPOS-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293644052 427394646 /nfs/dbraw/zinc/39/46/46/427394646.db2.gz IIAASMDKKVSWBD-JTQLQIEISA-N 1 0 315.329 2.757 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000271071791 427396530 /nfs/dbraw/zinc/39/65/30/427396530.db2.gz FISYOHDZQFDIQW-LBPRGKRZSA-N 1 0 320.418 2.989 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293660824 427397020 /nfs/dbraw/zinc/39/70/20/427397020.db2.gz NTGFWVSUSBLOLZ-QGZVFWFLSA-N 1 0 303.406 2.821 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000271092861 427400841 /nfs/dbraw/zinc/40/08/41/427400841.db2.gz LPQLXOZARGGRSL-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO Cn1cc([C@H]2CSCCN2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000191743017 427419374 /nfs/dbraw/zinc/41/93/74/427419374.db2.gz OTVJLDWZSAKGNI-OAHLLOKOSA-N 1 0 318.402 2.618 20 5 DFBDRO COc1cc(CN2CCS[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184200381 427413995 /nfs/dbraw/zinc/41/39/95/427413995.db2.gz YSTKFTLQFTUBRM-VIFPVBQESA-N 1 0 300.355 2.680 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263118299 427415912 /nfs/dbraw/zinc/41/59/12/427415912.db2.gz ATMHKMYNTXYIFX-DXCKQFNASA-N 1 0 319.405 2.988 20 5 DFBDRO C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262501140 427360056 /nfs/dbraw/zinc/36/00/56/427360056.db2.gz LZXXQKYFIYHYCZ-NWDGAFQWSA-N 1 0 300.362 2.564 20 5 DFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000262526241 427361869 /nfs/dbraw/zinc/36/18/69/427361869.db2.gz OXHPFFIBJMUNQE-INTQDDNPSA-N 1 0 315.295 2.787 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)Cn1ccnc1 ZINC000277933182 427365010 /nfs/dbraw/zinc/36/50/10/427365010.db2.gz NQJGQUGJQYBMAA-SNVBAGLBSA-N 1 0 322.752 2.572 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000286194381 427448790 /nfs/dbraw/zinc/44/87/90/427448790.db2.gz PUVLNIYXJOGMKI-UONOGXRCSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[N@@H+](C)C(C)C ZINC000271288854 427481438 /nfs/dbraw/zinc/48/14/38/427481438.db2.gz RLYGIJRJCVRLEQ-UHFFFAOYSA-N 1 0 321.421 2.980 20 5 DFBDRO Cc1cc(N2CCC[C@](F)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286289675 427482005 /nfs/dbraw/zinc/48/20/05/427482005.db2.gz FLJIUCDFXJWUDM-MRXNPFEDSA-N 1 0 319.336 2.752 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338776944 427482348 /nfs/dbraw/zinc/48/23/48/427482348.db2.gz WIOVZJDKTBMIQC-WFASDCNBSA-N 1 0 319.405 2.563 20 5 DFBDRO CCOC1CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000184250663 427423133 /nfs/dbraw/zinc/42/31/33/427423133.db2.gz QYNRNIHHAMHFBQ-UHFFFAOYSA-N 1 0 312.341 2.743 20 5 DFBDRO CC(=O)c1cc(NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000286113137 427427256 /nfs/dbraw/zinc/42/72/56/427427256.db2.gz LWUZDJCTZMKZOL-UHFFFAOYSA-N 1 0 303.362 2.836 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293760511 427430201 /nfs/dbraw/zinc/43/02/01/427430201.db2.gz RGLGROZTFZWDBO-OLZOCXBDSA-N 1 0 307.394 2.798 20 5 DFBDRO CCCC[N@H+](CCCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184312723 427437339 /nfs/dbraw/zinc/43/73/39/427437339.db2.gz HRDAQCBRUXUEPE-UHFFFAOYSA-N 1 0 314.357 2.727 20 5 DFBDRO C[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293949120 427498563 /nfs/dbraw/zinc/49/85/63/427498563.db2.gz ZEQLDCLXSUUKQW-XHDPSFHLSA-N 1 0 301.346 2.561 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332065516 427500871 /nfs/dbraw/zinc/50/08/71/427500871.db2.gz SKWWVWGPMKHLBF-CYBMUJFWSA-N 1 0 317.389 2.748 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189836 427502729 /nfs/dbraw/zinc/50/27/29/427502729.db2.gz OJCMLYYXXSRRFS-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000192192472 427503351 /nfs/dbraw/zinc/50/33/51/427503351.db2.gz MQXIBJIOBYRFQV-NSHDSACASA-N 1 0 324.402 2.789 20 5 DFBDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332083391 427503587 /nfs/dbraw/zinc/50/35/87/427503587.db2.gz OVQPBVFAUJDUNV-GXFFZTMASA-N 1 0 302.334 2.837 20 5 DFBDRO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332083390 427503746 /nfs/dbraw/zinc/50/37/46/427503746.db2.gz OVQPBVFAUJDUNV-GWCFXTLKSA-N 1 0 302.334 2.837 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000271352442 427508436 /nfs/dbraw/zinc/50/84/36/427508436.db2.gz HSLPBMJXWQZRHH-CHWSQXEVSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3ccncn3)CC2)cc1 ZINC000298051848 427511291 /nfs/dbraw/zinc/51/12/91/427511291.db2.gz FKEOBRJZFMSFQB-UHFFFAOYSA-N 1 0 312.373 2.807 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184671976 427513792 /nfs/dbraw/zinc/51/37/92/427513792.db2.gz IVHURGLDNOJWQJ-JSGCOSHPSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506973 427536999 /nfs/dbraw/zinc/53/69/99/427536999.db2.gz ROAOTEDUWYCKKV-WDEREUQCSA-N 1 0 311.332 2.542 20 5 DFBDRO CCC[C@@H](C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000271449044 427540281 /nfs/dbraw/zinc/54/02/81/427540281.db2.gz QWYRIWTYDOFBST-GJZGRUSLSA-N 1 0 307.394 2.892 20 5 DFBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263687513 427542153 /nfs/dbraw/zinc/54/21/53/427542153.db2.gz GKPZYUCISMXTDH-AWEZNQCLSA-N 1 0 319.405 2.579 20 5 DFBDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000338791049 427490767 /nfs/dbraw/zinc/49/07/67/427490767.db2.gz LAEFSXRSQYQYON-TUAOUCFPSA-N 1 0 310.423 2.759 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279258955 427617979 /nfs/dbraw/zinc/61/79/79/427617979.db2.gz LZRJRSUJWXYICD-DOMZBBRYSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1noc(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000271487024 427558578 /nfs/dbraw/zinc/55/85/78/427558578.db2.gz OHLLCSPMOOCBPN-NSHDSACASA-N 1 0 304.350 2.878 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000192543334 427560758 /nfs/dbraw/zinc/56/07/58/427560758.db2.gz NBJODOSJBHJNMY-CYBMUJFWSA-N 1 0 309.414 2.652 20 5 DFBDRO CO[C@H](C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263803514 427576328 /nfs/dbraw/zinc/57/63/28/427576328.db2.gz KRDXDNPSNQFVHJ-GFCCVEGCSA-N 1 0 318.377 2.510 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)C ZINC000263803784 427577079 /nfs/dbraw/zinc/57/70/79/427577079.db2.gz QYQLABUFBWVIRS-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000287381159 427594853 /nfs/dbraw/zinc/59/48/53/427594853.db2.gz BFZKTSUTIQKGAP-SWLSCSKDSA-N 1 0 318.377 2.685 20 5 DFBDRO CCOC1(C)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000298403648 427598837 /nfs/dbraw/zinc/59/88/37/427598837.db2.gz WRBGHKKXGLNTPD-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO COc1cccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000185148211 427603424 /nfs/dbraw/zinc/60/34/24/427603424.db2.gz RANKXIMQKPKPHR-CHWSQXEVSA-N 1 0 323.393 2.515 20 5 DFBDRO CS[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000272034208 427606556 /nfs/dbraw/zinc/60/65/56/427606556.db2.gz NKKVGOAXZUHHJK-KCPJHIHWSA-N 1 0 309.435 2.633 20 5 DFBDRO CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000287428295 427608229 /nfs/dbraw/zinc/60/82/29/427608229.db2.gz KLBIUOQEYZTNHZ-OAHLLOKOSA-N 1 0 308.378 2.567 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000298483672 427623994 /nfs/dbraw/zinc/62/39/94/427623994.db2.gz IZSHDHCSMHVMHD-LBPRGKRZSA-N 1 0 306.362 2.604 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2NCC23CCC[NH+]2CCC3)s1 ZINC000287542739 427635351 /nfs/dbraw/zinc/63/53/51/427635351.db2.gz BQGXIKASKPOUIB-UHFFFAOYSA-N 1 0 319.390 2.640 20 5 DFBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192943290 427639629 /nfs/dbraw/zinc/63/96/29/427639629.db2.gz HAYQUSVDDBGDPY-SRCQZFHVSA-N 1 0 320.389 2.756 20 5 DFBDRO COc1cccc(NC[C@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000185553702 427670440 /nfs/dbraw/zinc/67/04/40/427670440.db2.gz QOQFHRQBOQCFMA-CYBMUJFWSA-N 1 0 307.394 2.993 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000343269826 272110233 /nfs/dbraw/zinc/11/02/33/272110233.db2.gz ZOYPHPJJHIKUQN-UHFFFAOYSA-N 1 0 323.422 2.616 20 5 DFBDRO CCc1ccc(C(=O)NCC2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000343627629 272187826 /nfs/dbraw/zinc/18/78/26/272187826.db2.gz QNWYPVFDLFKXRB-UHFFFAOYSA-N 1 0 319.405 2.652 20 5 DFBDRO CCN(C)c1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000344064208 272254917 /nfs/dbraw/zinc/25/49/17/272254917.db2.gz NCGBCSGTXJXKAK-UHFFFAOYSA-N 1 0 314.389 2.778 20 5 DFBDRO CC(=O)NC1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000344149113 272274702 /nfs/dbraw/zinc/27/47/02/272274702.db2.gz SMCHWYNUCGOWRZ-UHFFFAOYSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000344243874 272295591 /nfs/dbraw/zinc/29/55/91/272295591.db2.gz PKZQSYMLISWZGS-NWDGAFQWSA-N 1 0 323.368 2.727 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[C@@H]1O ZINC000339189385 427722918 /nfs/dbraw/zinc/72/29/18/427722918.db2.gz QQXFZGBRQMJIFE-STQMWFEESA-N 1 0 318.295 2.959 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cs1 ZINC000345014359 272394913 /nfs/dbraw/zinc/39/49/13/272394913.db2.gz DELUYAQQVWYSGQ-GFCCVEGCSA-N 1 0 320.370 2.976 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC[S@@](C)=O ZINC000345044904 272397304 /nfs/dbraw/zinc/39/73/04/272397304.db2.gz SBDDDKTULATFAE-COIRTRQJSA-N 1 0 310.419 2.745 20 5 DFBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000193726619 427709424 /nfs/dbraw/zinc/70/94/24/427709424.db2.gz UZIVPGCIKUSCOQ-UHFFFAOYSA-N 1 0 311.338 2.607 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(=O)n1C ZINC000279594446 427711081 /nfs/dbraw/zinc/71/10/81/427711081.db2.gz VTUJSBFQTHCMBZ-CYBMUJFWSA-N 1 0 315.373 2.761 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000333977633 427719324 /nfs/dbraw/zinc/71/93/24/427719324.db2.gz FXWDPOQXRHBJHN-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1 ZINC000299151977 427756209 /nfs/dbraw/zinc/75/62/09/427756209.db2.gz GEIHILFRBKDNRS-HNNXBMFYSA-N 1 0 318.348 2.675 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000339368695 427761490 /nfs/dbraw/zinc/76/14/90/427761490.db2.gz XRGGLIKUILFEQH-SNVBAGLBSA-N 1 0 305.338 2.636 20 5 DFBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])o1 ZINC000299203598 427761503 /nfs/dbraw/zinc/76/15/03/427761503.db2.gz XWWIKXSMZFQPBM-UHFFFAOYSA-N 1 0 323.393 2.964 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000336858761 427762952 /nfs/dbraw/zinc/76/29/52/427762952.db2.gz BDJJPSIXIZHWIL-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000339388180 427764964 /nfs/dbraw/zinc/76/49/64/427764964.db2.gz WIIHPCLMSPIGJG-LLVKDONJSA-N 1 0 306.322 2.699 20 5 DFBDRO COc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339387625 427765918 /nfs/dbraw/zinc/76/59/18/427765918.db2.gz MQZADARWFQPFGY-SNVBAGLBSA-N 1 0 306.322 2.699 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868554 427767755 /nfs/dbraw/zinc/76/77/55/427767755.db2.gz XFNBYRBKAAUXRW-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301208443 427781523 /nfs/dbraw/zinc/78/15/23/427781523.db2.gz UXFGVDVKLODKDW-LLVKDONJSA-N 1 0 320.349 2.932 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298942077 427733208 /nfs/dbraw/zinc/73/32/08/427733208.db2.gz ASSAUBXDXUSFBV-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000299023312 427740390 /nfs/dbraw/zinc/74/03/90/427740390.db2.gz NORTUDTZYICMIB-MNOVXSKESA-N 1 0 311.407 2.507 20 5 DFBDRO CCc1nn(C)c(NCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000301351904 427790237 /nfs/dbraw/zinc/79/02/37/427790237.db2.gz KNHMZFXKRGRNTQ-LBPRGKRZSA-N 1 0 309.414 2.567 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000299050476 427742676 /nfs/dbraw/zinc/74/26/76/427742676.db2.gz HNPCHZLEZOYKIT-ZDUSSCGKSA-N 1 0 305.378 2.941 20 5 DFBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000299102056 427750599 /nfs/dbraw/zinc/75/05/99/427750599.db2.gz SHGFGWNYAPBEDQ-CHWSQXEVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000336720474 427751257 /nfs/dbraw/zinc/75/12/57/427751257.db2.gz RZDZFRRTKFTDCN-MRVPVSSYSA-N 1 0 302.172 2.897 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000301580292 427807266 /nfs/dbraw/zinc/80/72/66/427807266.db2.gz SQCPNJFSSAHRMM-ZNMIVQPWSA-N 1 0 301.390 2.824 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301621487 427809758 /nfs/dbraw/zinc/80/97/58/427809758.db2.gz XXLKCDLXNASMIP-GFCCVEGCSA-N 1 0 322.365 2.893 20 5 DFBDRO Cc1nc(N2CC[NH+](C3CCC(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000301664805 427813376 /nfs/dbraw/zinc/81/33/76/427813376.db2.gz NYBCSDSQTJOQRS-UHFFFAOYSA-N 1 0 318.421 2.999 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339709676 427816796 /nfs/dbraw/zinc/81/67/96/427816796.db2.gz KQBJVCRRAVLXTE-KRWDZBQOSA-N 1 0 306.406 2.868 20 5 DFBDRO [NH3+][C@@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000346082789 272568829 /nfs/dbraw/zinc/56/88/29/272568829.db2.gz FPCGREACLNVPKI-GFCCVEGCSA-N 1 0 318.402 2.641 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301804191 427826063 /nfs/dbraw/zinc/82/60/63/427826063.db2.gz VETGUPMMKVDQAX-QWRGUYRKSA-N 1 0 311.332 2.936 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)cc1 ZINC000359455111 427858206 /nfs/dbraw/zinc/85/82/06/427858206.db2.gz CBWPHPOSNUHQFZ-ZIAGYGMSSA-N 1 0 313.357 2.506 20 5 DFBDRO COc1cc(NCC[NH+]2CCC(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301864954 427831025 /nfs/dbraw/zinc/83/10/25/427831025.db2.gz GWPOOEUMIAJTRJ-UHFFFAOYSA-N 1 0 311.357 2.886 20 5 DFBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1F ZINC000301877846 427831874 /nfs/dbraw/zinc/83/18/74/427831874.db2.gz KWVQTNVWMIBGBK-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000359449380 427855490 /nfs/dbraw/zinc/85/54/90/427855490.db2.gz AXGXUSIGGXDDLM-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000346307995 272617940 /nfs/dbraw/zinc/61/79/40/272617940.db2.gz GLYIAZNQWMIPMQ-GFCCVEGCSA-N 1 0 321.421 2.962 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302788474 427871208 /nfs/dbraw/zinc/87/12/08/427871208.db2.gz CKLUGEWUUJFREW-UHFFFAOYSA-N 1 0 311.357 2.647 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000349857177 427880876 /nfs/dbraw/zinc/88/08/76/427880876.db2.gz UCLQLZAARZMINL-HZPDHXFCSA-N 1 0 310.394 2.812 20 5 DFBDRO C[C@@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)C(C)(C)C[NH+](C)C ZINC000302890154 427888580 /nfs/dbraw/zinc/88/85/80/427888580.db2.gz PHJZAEFHJJQPLZ-LLVKDONJSA-N 1 0 306.410 2.951 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355782669 427888978 /nfs/dbraw/zinc/88/89/78/427888978.db2.gz MMIBFTWDTGJLBG-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO Cc1c(C[NH2+][C@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000359540898 427900021 /nfs/dbraw/zinc/90/00/21/427900021.db2.gz QAYVXVQKVWZUTK-OAHLLOKOSA-N 1 0 304.321 2.866 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094731 427917971 /nfs/dbraw/zinc/91/79/71/427917971.db2.gz DOTGTMDRTYLLAO-UKRRQHHQSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000355863100 427926737 /nfs/dbraw/zinc/92/67/37/427926737.db2.gz SCCHFNTWJYDDAS-UHFFFAOYSA-N 1 0 307.394 2.786 20 5 DFBDRO CC[N@H+](CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000340311160 427983516 /nfs/dbraw/zinc/98/35/16/427983516.db2.gz DFLHQGZJPBZUHD-UHFFFAOYSA-N 1 0 321.421 2.719 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000355873873 427931973 /nfs/dbraw/zinc/93/19/73/427931973.db2.gz QAPAMGKAZUXWLY-UHFFFAOYSA-N 1 0 321.421 2.715 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345876231 427937792 /nfs/dbraw/zinc/93/77/92/427937792.db2.gz DHIKFLXJJZGUMX-NWDGAFQWSA-N 1 0 306.366 2.541 20 5 DFBDRO CO[C@@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000359639835 427950257 /nfs/dbraw/zinc/95/02/57/427950257.db2.gz SQOZVPIXPPQXNN-MRXNPFEDSA-N 1 0 308.378 2.613 20 5 DFBDRO Cc1[nH]nc2ncc(C[NH2+]Cc3cccc([N+](=O)[O-])c3C)cc12 ZINC000359805295 428025511 /nfs/dbraw/zinc/02/55/11/428025511.db2.gz VBHCRFZDTKFWJS-UHFFFAOYSA-N 1 0 311.345 2.773 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000369694330 428036061 /nfs/dbraw/zinc/03/60/61/428036061.db2.gz DZADDWAEVZJYRQ-INIZCTEOSA-N 1 0 312.373 2.701 20 5 DFBDRO CC(=O)c1ccc(NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413445962 428049525 /nfs/dbraw/zinc/04/95/25/428049525.db2.gz UDBHXCRSUOERBB-ZDUSSCGKSA-N 1 0 305.378 2.941 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341380373 428053857 /nfs/dbraw/zinc/05/38/57/428053857.db2.gz PEAINGPYISQNIH-GFCCVEGCSA-N 1 0 311.357 2.503 20 5 DFBDRO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000413475988 428056812 /nfs/dbraw/zinc/05/68/12/428056812.db2.gz DHIBOVIJIGXLQD-UPJWGTAASA-N 1 0 317.389 2.745 20 5 DFBDRO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346094134 428018223 /nfs/dbraw/zinc/01/82/23/428018223.db2.gz NJNPHYWGNIUGBS-ZDUSSCGKSA-N 1 0 301.346 2.778 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H](CO)C[NH+]2CCCCC2)c(Cl)c1 ZINC000346097180 428018430 /nfs/dbraw/zinc/01/84/30/428018430.db2.gz CCMWEIBZYXXWJB-NSHDSACASA-N 1 0 313.785 2.507 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1 ZINC000341486833 428085242 /nfs/dbraw/zinc/08/52/42/428085242.db2.gz VFQZEUMPVMUNJG-UHFFFAOYSA-N 1 0 300.362 2.706 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000377256439 428091893 /nfs/dbraw/zinc/09/18/93/428091893.db2.gz KZQSPOWOUKQMMF-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000369936728 428092728 /nfs/dbraw/zinc/09/27/28/428092728.db2.gz MVWVCDGCTIZLIJ-GJZGRUSLSA-N 1 0 317.389 2.514 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369967970 428098911 /nfs/dbraw/zinc/09/89/11/428098911.db2.gz VHKXHBMKFWWMQG-UONOGXRCSA-N 1 0 305.378 2.780 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c1 ZINC000370000955 428105529 /nfs/dbraw/zinc/10/55/29/428105529.db2.gz FZIAGNIBWYYZTA-HNNXBMFYSA-N 1 0 318.352 2.638 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000356295957 428110990 /nfs/dbraw/zinc/11/09/90/428110990.db2.gz ZVUWBWBCMAXQAP-JGGQBBKZSA-N 1 0 306.362 2.584 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341595609 428121571 /nfs/dbraw/zinc/12/15/71/428121571.db2.gz UVZPSVISCBADFJ-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192581 428063092 /nfs/dbraw/zinc/06/30/92/428063092.db2.gz PJSWYBZQGMLXES-GJZGRUSLSA-N 1 0 321.421 2.778 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC3(CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352540804 428141191 /nfs/dbraw/zinc/14/11/91/428141191.db2.gz PRQMSVBVCLGMQG-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO C[N@H+](CCOCC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC000352549583 428146550 /nfs/dbraw/zinc/14/65/50/428146550.db2.gz DHORPKKFCVYJPS-UHFFFAOYSA-N 1 0 306.284 2.648 20 5 DFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000414100362 428205614 /nfs/dbraw/zinc/20/56/14/428205614.db2.gz RKHIZXKZDGQMIM-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@@H](C)C1 ZINC000352696278 428208437 /nfs/dbraw/zinc/20/84/37/428208437.db2.gz JCPZMXRBSKOGMI-AWEZNQCLSA-N 1 0 321.421 2.908 20 5 DFBDRO CCC[N@H+](CC(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346606735 428237792 /nfs/dbraw/zinc/23/77/92/428237792.db2.gz SVIIRDAIVDVNJT-HNNXBMFYSA-N 1 0 310.394 2.703 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000346488556 428191231 /nfs/dbraw/zinc/19/12/31/428191231.db2.gz NOHDLAQKBLWSTF-MRXNPFEDSA-N 1 0 313.357 2.952 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000346490662 428194301 /nfs/dbraw/zinc/19/43/01/428194301.db2.gz SZBGCQVAWHZDTP-OLZOCXBDSA-N 1 0 320.393 2.850 20 5 DFBDRO 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 428197553 /nfs/dbraw/zinc/19/75/53/428197553.db2.gz UHYVWRSOUPIOFF-SQXIKUFJSA-N 1 0 306.337 2.589 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000341985385 428268804 /nfs/dbraw/zinc/26/88/04/428268804.db2.gz WZVLDOWLCOUDIA-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000342025883 428279076 /nfs/dbraw/zinc/27/90/76/428279076.db2.gz BAYDUAAMRCLZLZ-UHFFFAOYSA-N 1 0 308.769 2.970 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000370721634 428283970 /nfs/dbraw/zinc/28/39/70/428283970.db2.gz ADJLVMMPAVYCRJ-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352879321 428292634 /nfs/dbraw/zinc/29/26/34/428292634.db2.gz WCZYVLFUDXRXHC-DGCLKSJQSA-N 1 0 306.366 2.507 20 5 DFBDRO CCCN(CCOc1ccccc1[N+](=O)[O-])CC[NH+]1CCCC1 ZINC000352887430 428297235 /nfs/dbraw/zinc/29/72/35/428297235.db2.gz JZOWEKQYMIVSPK-UHFFFAOYSA-N 1 0 321.421 2.781 20 5 DFBDRO CS[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+](C)C ZINC000352776876 428242341 /nfs/dbraw/zinc/24/23/41/428242341.db2.gz FINULYWTLLYHEN-APHBMKBZSA-N 1 0 323.462 2.942 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000346646709 428254669 /nfs/dbraw/zinc/25/46/69/428254669.db2.gz CCWNSLKFBGTWMO-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000352814826 428258947 /nfs/dbraw/zinc/25/89/47/428258947.db2.gz JYLMXVPLDKUVLO-MFKMUULPSA-N 1 0 323.418 2.573 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@@]2(O)CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279198059 273587769 /nfs/dbraw/zinc/58/77/69/273587769.db2.gz XBWXLMGDVHSWDW-ZBFHGGJFSA-N 1 0 322.430 2.775 20 5 DFBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])n2C)c(C[NH+](C)C)c1 ZINC000346771887 428310084 /nfs/dbraw/zinc/31/00/84/428310084.db2.gz ANPVWJCBEZSDAM-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000370890844 428315372 /nfs/dbraw/zinc/31/53/72/428315372.db2.gz GUURWTPBCGVQQD-MRXNPFEDSA-N 1 0 317.389 2.572 20 5 DFBDRO CCC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000356837060 428332769 /nfs/dbraw/zinc/33/27/69/428332769.db2.gz HNLJQQVCGAGZLC-AWEZNQCLSA-N 1 0 303.366 2.695 20 5 DFBDRO Cc1sc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000378234981 428342349 /nfs/dbraw/zinc/34/23/49/428342349.db2.gz VUQOLJXPBZDOPE-LBPRGKRZSA-N 1 0 323.418 2.569 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353125008 428394214 /nfs/dbraw/zinc/39/42/14/428394214.db2.gz ZXKOUUBESNIJCJ-CJNGLKHVSA-N 1 0 319.405 2.686 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773250 428401431 /nfs/dbraw/zinc/40/14/31/428401431.db2.gz SIJQCOTZVUCVAH-NHYWBVRUSA-N 1 0 301.346 2.776 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(/C(C)=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000414645693 428362385 /nfs/dbraw/zinc/36/23/85/428362385.db2.gz OEGRMQCVBOZNTE-UQSGXBNBSA-N 1 0 302.334 2.689 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1[N+](=O)[O-] ZINC000353032588 428364257 /nfs/dbraw/zinc/36/42/57/428364257.db2.gz XMVJELRZOQXXMK-LLVKDONJSA-N 1 0 316.304 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000414659441 428368815 /nfs/dbraw/zinc/36/88/15/428368815.db2.gz NABYODIDNDJHTR-ZDUSSCGKSA-N 1 0 308.382 2.740 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000414724378 428386137 /nfs/dbraw/zinc/38/61/37/428386137.db2.gz FEEOGUSVCMOTQX-UHFFFAOYSA-N 1 0 303.362 2.779 20 5 DFBDRO Cc1ccc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000378650506 428449170 /nfs/dbraw/zinc/44/91/70/428449170.db2.gz OUHLMWVUPZSVOD-HNNXBMFYSA-N 1 0 300.362 2.589 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000353249270 428449172 /nfs/dbraw/zinc/44/91/72/428449172.db2.gz NBWOVDKLCLJRJG-SJLPKXTDSA-N 1 0 312.369 2.851 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CC[NH2+]C3)o2)c1 ZINC000414901948 428449691 /nfs/dbraw/zinc/44/96/91/428449691.db2.gz GRCALQBBAREHNG-LBPRGKRZSA-N 1 0 301.346 2.554 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](CC(C)C)CC1 ZINC000360842974 428460938 /nfs/dbraw/zinc/46/09/38/428460938.db2.gz RMJAORYRSKRKPO-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950734 428468333 /nfs/dbraw/zinc/46/83/33/428468333.db2.gz GKROHYRUDRHTPX-BLLLJJGKSA-N 1 0 315.373 2.942 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278502652 273816097 /nfs/dbraw/zinc/81/60/97/273816097.db2.gz XINZZTARBRHSMK-VIFPVBQESA-N 1 0 318.299 2.539 20 5 DFBDRO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000394629640 428489025 /nfs/dbraw/zinc/48/90/25/428489025.db2.gz UPJCCOHBRXASQK-SFYZADRCSA-N 1 0 302.172 2.813 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000415037103 428495339 /nfs/dbraw/zinc/49/53/39/428495339.db2.gz GCXLLVYCNVRDJL-LRDDRELGSA-N 1 0 307.369 2.698 20 5 DFBDRO Cc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039517 428495441 /nfs/dbraw/zinc/49/54/41/428495441.db2.gz JAMCLUGNCKPPTP-HZPDHXFCSA-N 1 0 303.406 2.867 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000357361639 428499211 /nfs/dbraw/zinc/49/92/11/428499211.db2.gz YLNACFWNUPXYCR-DOMZBBRYSA-N 1 0 324.377 2.602 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353357171 428501210 /nfs/dbraw/zinc/50/12/10/428501210.db2.gz WSNYINGKMYETGB-MRXNPFEDSA-N 1 0 319.405 2.662 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000360952729 428506289 /nfs/dbraw/zinc/50/62/89/428506289.db2.gz DMJTWQSRUYAAAH-CHWSQXEVSA-N 1 0 323.441 2.900 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360959091 428511558 /nfs/dbraw/zinc/51/15/58/428511558.db2.gz FCRQIJAAKIICAW-NEPJUHHUSA-N 1 0 309.414 2.652 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000360966500 428516851 /nfs/dbraw/zinc/51/68/51/428516851.db2.gz QDGHRZCIIJQGFJ-UHFFFAOYSA-N 1 0 323.441 2.678 20 5 DFBDRO CN(CC[NH3+])Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000415107661 428522778 /nfs/dbraw/zinc/52/27/78/428522778.db2.gz LGDLFDUKJYDTIY-UHFFFAOYSA-N 1 0 319.336 2.917 20 5 DFBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])nc(C)n1CC)[NH+](C)C ZINC000360881012 428476408 /nfs/dbraw/zinc/47/64/08/428476408.db2.gz IVEKTWPCBBNXHE-ZDUSSCGKSA-N 1 0 311.430 2.898 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415485417 428586949 /nfs/dbraw/zinc/58/69/49/428586949.db2.gz QEGSESMKWMBPOJ-JSGCOSHPSA-N 1 0 320.393 2.945 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000343877033 428588162 /nfs/dbraw/zinc/58/81/62/428588162.db2.gz WXOOWMMOUURLRC-UHFFFAOYSA-N 1 0 324.377 2.637 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415487777 428589337 /nfs/dbraw/zinc/58/93/37/428589337.db2.gz UPEKXNNXFGYCIT-QWHCGFSZSA-N 1 0 320.393 2.803 20 5 DFBDRO C[C@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000347305218 428537572 /nfs/dbraw/zinc/53/75/72/428537572.db2.gz PZIPGEZWDILFBH-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347312112 428540983 /nfs/dbraw/zinc/54/09/83/428540983.db2.gz YNPZYOCYZDXFSC-YGRLFVJLSA-N 1 0 324.356 2.584 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347436740 428577448 /nfs/dbraw/zinc/57/74/48/428577448.db2.gz UWDPQOGQKLVEEL-NSHDSACASA-N 1 0 303.366 2.680 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415585109 428599183 /nfs/dbraw/zinc/59/91/83/428599183.db2.gz ULLHOAMYSLEZHL-VXGBXAGGSA-N 1 0 306.366 2.603 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344014259 428605977 /nfs/dbraw/zinc/60/59/77/428605977.db2.gz WKRFKCXPCLQVCQ-AAEUAGOBSA-N 1 0 303.362 2.654 20 5 DFBDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000347564408 428606086 /nfs/dbraw/zinc/60/60/86/428606086.db2.gz UJGGEDUBMKZNCZ-OAHLLOKOSA-N 1 0 318.377 2.883 20 5 DFBDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630368 428606192 /nfs/dbraw/zinc/60/61/92/428606192.db2.gz KZVKCLKACPGHOQ-CYBMUJFWSA-N 1 0 324.356 2.634 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415649782 428610295 /nfs/dbraw/zinc/61/02/95/428610295.db2.gz DRVQMVKBZBPDDL-LLVKDONJSA-N 1 0 324.381 2.633 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000373680320 428633768 /nfs/dbraw/zinc/63/37/68/428633768.db2.gz JEZJXUOSHNWGJU-UHFFFAOYSA-N 1 0 320.349 2.932 20 5 DFBDRO COC[C@@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000360071824 274046907 /nfs/dbraw/zinc/04/69/07/274046907.db2.gz LOSYIQOEAXIVBZ-LBPRGKRZSA-N 1 0 321.299 2.698 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[N@H+](CC(C)C)CC1 ZINC000369961023 274053226 /nfs/dbraw/zinc/05/32/26/274053226.db2.gz ZSDJKGCWANVPRV-UHFFFAOYSA-N 1 0 321.421 2.909 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](n2cccn2)C1 ZINC000373720888 428639766 /nfs/dbraw/zinc/63/97/66/428639766.db2.gz QFISDSQFSAFUTH-HNNXBMFYSA-N 1 0 316.361 2.637 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000266057540 274199913 /nfs/dbraw/zinc/19/99/13/274199913.db2.gz PPVWFJMABYXJPF-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000262409521 274240553 /nfs/dbraw/zinc/24/05/53/274240553.db2.gz DALZEIFVFHOOLT-BDAKNGLRSA-N 1 0 318.299 2.572 20 5 DFBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434888 428660324 /nfs/dbraw/zinc/66/03/24/428660324.db2.gz JJKNMZMIWQEBAQ-STQMWFEESA-N 1 0 314.389 2.980 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057267 274306715 /nfs/dbraw/zinc/30/67/15/274306715.db2.gz ZROCDTRDXYFLNM-LYRGGWFBSA-N 1 0 303.406 2.905 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCSCC1 ZINC000344823941 428708895 /nfs/dbraw/zinc/70/88/95/428708895.db2.gz MBVOASRFSNEFOP-SDNWHVSQSA-N 1 0 321.446 2.637 20 5 DFBDRO Cc1noc([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868116 428714481 /nfs/dbraw/zinc/71/44/81/428714481.db2.gz VEFCZSPRQAMYPB-SDQPKGBYSA-N 1 0 314.345 2.789 20 5 DFBDRO Cc1noc([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868117 428715167 /nfs/dbraw/zinc/71/51/67/428715167.db2.gz VEFCZSPRQAMYPB-YVARQFDVSA-N 1 0 314.345 2.789 20 5 DFBDRO Cc1noc([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000344864880 428715923 /nfs/dbraw/zinc/71/59/23/428715923.db2.gz LHMDWCPXYFAXDQ-ZDUSSCGKSA-N 1 0 302.334 2.584 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374633110 428720142 /nfs/dbraw/zinc/72/01/42/428720142.db2.gz UJPHAIGAFOXQHN-CQSZACIVSA-N 1 0 320.389 2.852 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000374493058 428684587 /nfs/dbraw/zinc/68/45/87/428684587.db2.gz UGWQTBQPCBCILL-JOYOIKCWSA-N 1 0 324.431 3.218 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353743932 428689579 /nfs/dbraw/zinc/68/95/79/428689579.db2.gz ZBDMGXWUTGJDOH-NWDGAFQWSA-N 1 0 324.377 2.671 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353883914 428760773 /nfs/dbraw/zinc/76/07/73/428760773.db2.gz RDQPRLIIGGLSOC-FZMZJTMJSA-N 1 0 308.378 2.663 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353883915 428760934 /nfs/dbraw/zinc/76/09/34/428760934.db2.gz RDQPRLIIGGLSOC-RISCZKNCSA-N 1 0 308.378 2.663 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000358996997 428766189 /nfs/dbraw/zinc/76/61/89/428766189.db2.gz DMTCHTIYRBBXAB-INIZCTEOSA-N 1 0 312.373 2.940 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000359006526 428771752 /nfs/dbraw/zinc/77/17/52/428771752.db2.gz SHLXEBGCGMSHNG-XBMZPMPPSA-N 1 0 312.369 2.801 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000127335884 274507755 /nfs/dbraw/zinc/50/77/55/274507755.db2.gz WETQXKJEBRNJNK-IUCAKERBSA-N 1 0 314.183 2.531 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913739 428783773 /nfs/dbraw/zinc/78/37/73/428783773.db2.gz OEQOVFFGSPCLLQ-JKSUJKDBSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345082568 428746931 /nfs/dbraw/zinc/74/69/31/428746931.db2.gz SLEFSKSTFBXFBN-UHFFFAOYSA-N 1 0 300.362 2.958 20 5 DFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298019183 274545946 /nfs/dbraw/zinc/54/59/46/274545946.db2.gz DMNIRBQEUGZKQD-CQSZACIVSA-N 1 0 312.373 2.873 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000375304442 428849680 /nfs/dbraw/zinc/84/96/80/428849680.db2.gz SUOHHDLXNXDAIP-PZSREKOKSA-N 1 0 317.389 2.611 20 5 DFBDRO C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178638894 274553502 /nfs/dbraw/zinc/55/35/02/274553502.db2.gz JEKKJMFXTIDGEP-VBNZEHGJSA-N 1 0 317.389 2.868 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000375051578 428797350 /nfs/dbraw/zinc/79/73/50/428797350.db2.gz WWCUEUSSCSZXLH-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO CCCCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411477152 428803519 /nfs/dbraw/zinc/80/35/19/428803519.db2.gz RIDJZGGCMSPDSO-ZDUSSCGKSA-N 1 0 307.394 2.860 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+](C)C)n1 ZINC000359083417 428807335 /nfs/dbraw/zinc/80/73/35/428807335.db2.gz OJFVHKHPNLPLNT-GFCCVEGCSA-N 1 0 304.350 2.914 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000353997984 428809690 /nfs/dbraw/zinc/80/96/90/428809690.db2.gz UCDQHVZYGCQIPE-YERXGYGTSA-N 1 0 302.374 2.987 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348754185 428825794 /nfs/dbraw/zinc/82/57/94/428825794.db2.gz JVYWHUNPYJSILG-CJNGLKHVSA-N 1 0 315.373 2.725 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081781 428853089 /nfs/dbraw/zinc/85/30/89/428853089.db2.gz HQIUXANWJGYHCK-MRXNPFEDSA-N 1 0 303.406 2.759 20 5 DFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1 ZINC000359144223 428838446 /nfs/dbraw/zinc/83/84/46/428838446.db2.gz PGWDXHOLFGARCV-UHFFFAOYSA-N 1 0 324.340 2.557 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354084237 428856254 /nfs/dbraw/zinc/85/62/54/428856254.db2.gz DOCCLQVLEMPDHH-ZDUSSCGKSA-N 1 0 312.373 2.816 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000375393075 428872822 /nfs/dbraw/zinc/87/28/22/428872822.db2.gz PJXIEMVJBZUHOA-HNNXBMFYSA-N 1 0 315.377 2.640 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411949977 428893280 /nfs/dbraw/zinc/89/32/80/428893280.db2.gz QUSLOAACLHYSQB-QZTJIDSGSA-N 1 0 312.369 2.945 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412040591 428921336 /nfs/dbraw/zinc/92/13/36/428921336.db2.gz RULYRCUGZDGKFR-OAHLLOKOSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048277 428923945 /nfs/dbraw/zinc/92/39/45/428923945.db2.gz WLCIVIPAVSGILM-JQWIXIFHSA-N 1 0 301.350 2.572 20 5 DFBDRO C[C@H]1CC(C)(C)C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049344 428926441 /nfs/dbraw/zinc/92/64/41/428926441.db2.gz WEQVKXQEZAUCFY-WFASDCNBSA-N 1 0 317.389 2.821 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCCOC(C)C ZINC000354223817 428927164 /nfs/dbraw/zinc/92/71/64/428927164.db2.gz PCVZGGVYAWZUBT-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363580674 428945741 /nfs/dbraw/zinc/94/57/41/428945741.db2.gz APNAKARRKUTMMC-CYBMUJFWSA-N 1 0 317.389 2.650 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420212466 428947106 /nfs/dbraw/zinc/94/71/06/428947106.db2.gz XXCNBCGMKHWKOE-ZIAGYGMSSA-N 1 0 312.373 3.196 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCCCC2 ZINC000375701230 428948277 /nfs/dbraw/zinc/94/82/77/428948277.db2.gz MQAWISRXECNOKG-UONOGXRCSA-N 1 0 322.409 2.546 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420177607 428948925 /nfs/dbraw/zinc/94/89/25/428948925.db2.gz AAIUBJGMPIBPJV-ZDUSSCGKSA-N 1 0 318.352 3.191 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375737747 428955926 /nfs/dbraw/zinc/95/59/26/428955926.db2.gz FNYDPZOLZGKLSF-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000375768473 428966010 /nfs/dbraw/zinc/96/60/10/428966010.db2.gz NRHMQXFIVXRWNX-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915598 429018448 /nfs/dbraw/zinc/01/84/48/429018448.db2.gz VSJCHVQRRZTVJF-CDMKHQONSA-N 1 0 318.295 2.901 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915608 429020068 /nfs/dbraw/zinc/02/00/68/429020068.db2.gz VSJCHVQRRZTVJF-XWIASGKRSA-N 1 0 318.295 2.901 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000421804977 429034842 /nfs/dbraw/zinc/03/48/42/429034842.db2.gz VIBRYOHPJJSDLS-ZDUSSCGKSA-N 1 0 317.389 2.592 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375965007 429030785 /nfs/dbraw/zinc/03/07/85/429030785.db2.gz ZGXPCGBGRQXVII-SWLSCSKDSA-N 1 0 318.377 2.685 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000421790772 429032303 /nfs/dbraw/zinc/03/23/03/429032303.db2.gz YOGYORIIFGJAEL-CHWSQXEVSA-N 1 0 317.389 2.567 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000375798208 428980016 /nfs/dbraw/zinc/98/00/16/428980016.db2.gz WEVODSQJDGNKAQ-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423598265 428980260 /nfs/dbraw/zinc/98/02/60/428980260.db2.gz VYISYOHDTMOALV-QWHCGFSZSA-N 1 0 305.378 2.520 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000423620739 428983295 /nfs/dbraw/zinc/98/32/95/428983295.db2.gz WUHDKUQQIPXAIO-GWCFXTLKSA-N 1 0 323.418 2.577 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@@H](CO)CC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433089708 428991927 /nfs/dbraw/zinc/99/19/27/428991927.db2.gz PNYBOJZJLNHWAY-RNCFNFMXSA-N 1 0 314.332 2.923 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000451830525 428992231 /nfs/dbraw/zinc/99/22/31/428992231.db2.gz YRWYODUGBURFCT-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CN(C(=O)C[NH2+][C@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000433080248 428992659 /nfs/dbraw/zinc/99/26/59/428992659.db2.gz BPLLLWYSDFWRED-ZUEPYMLJSA-N 1 0 317.389 2.726 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423713128 429002558 /nfs/dbraw/zinc/00/25/58/429002558.db2.gz WPTFRMDDNRDGCS-KGLIPLIRSA-N 1 0 319.405 2.767 20 5 DFBDRO CN(Cc1ccc2c(c1)OCO2)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349576324 429008455 /nfs/dbraw/zinc/00/84/55/429008455.db2.gz DBWVNFJYUUBOPW-UHFFFAOYSA-N 1 0 316.313 2.661 20 5 DFBDRO Cc1sc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421682950 429009877 /nfs/dbraw/zinc/00/98/77/429009877.db2.gz BSENEXIWNJXKPJ-UHFFFAOYSA-N 1 0 311.407 2.567 20 5 DFBDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000423849905 429038668 /nfs/dbraw/zinc/03/86/68/429038668.db2.gz QSZXRULVKLORHZ-UHFFFAOYSA-N 1 0 313.785 2.630 20 5 DFBDRO CON1CCC([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000421866173 429042627 /nfs/dbraw/zinc/04/26/27/429042627.db2.gz AFYCMNWQUZZTMT-MRXNPFEDSA-N 1 0 319.405 2.933 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000421881280 429044452 /nfs/dbraw/zinc/04/44/52/429044452.db2.gz OYQKNRNQRUYNKQ-KBPBESRZSA-N 1 0 319.405 2.812 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000376160774 429068164 /nfs/dbraw/zinc/06/81/64/429068164.db2.gz DVXSJUVPZIGHLY-VIRABCJISA-N 1 0 317.389 2.563 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435596533 429150210 /nfs/dbraw/zinc/15/02/10/429150210.db2.gz HYQDCAXIKCJXQO-CYBMUJFWSA-N 1 0 307.398 2.537 20 5 DFBDRO C[C@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000413157261 429150905 /nfs/dbraw/zinc/15/09/05/429150905.db2.gz HHKHJEYPQUEPEX-DTWKUNHWSA-N 1 0 318.299 2.903 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CCC[NH2+]CC1 ZINC000435624352 429155678 /nfs/dbraw/zinc/15/56/78/429155678.db2.gz JFVHHGVLDBSGIQ-HNNXBMFYSA-N 1 0 321.421 2.956 20 5 DFBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982004 429116713 /nfs/dbraw/zinc/11/67/13/429116713.db2.gz JGFTYUFGRWBSDN-GJZGRUSLSA-N 1 0 324.425 2.707 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000434951602 429116838 /nfs/dbraw/zinc/11/68/38/429116838.db2.gz ONKRUUYZLNEJSL-GFCCVEGCSA-N 1 0 324.812 2.811 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376487102 429119976 /nfs/dbraw/zinc/11/99/76/429119976.db2.gz VDWCXTKPBNULMC-LBPRGKRZSA-N 1 0 304.394 2.630 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000413028955 429124018 /nfs/dbraw/zinc/12/40/18/429124018.db2.gz RBUPTDHGUQZJND-AWEZNQCLSA-N 1 0 322.315 2.983 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000376508612 429125936 /nfs/dbraw/zinc/12/59/36/429125936.db2.gz WBQJXNMSJIUEEY-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO C[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413033631 429126488 /nfs/dbraw/zinc/12/64/88/429126488.db2.gz MRUIORYQAXHLQH-UHFFFAOYSA-N 1 0 304.272 2.515 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424324735 429126500 /nfs/dbraw/zinc/12/65/00/429126500.db2.gz MCOGIMXSQTXTOQ-WFASDCNBSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c2cccnc21 ZINC000413062409 429129260 /nfs/dbraw/zinc/12/92/60/429129260.db2.gz BIENAWAIHHPYLB-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000363868048 429130856 /nfs/dbraw/zinc/13/08/56/429130856.db2.gz MPSMMQOUWJMPTR-SJORKVTESA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000494658014 429138104 /nfs/dbraw/zinc/13/81/04/429138104.db2.gz WCZOFEBODBXIQC-CQSZACIVSA-N 1 0 322.386 2.667 20 5 DFBDRO C[NH+]1CCC(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413110287 429140336 /nfs/dbraw/zinc/14/03/36/429140336.db2.gz ODCVPZDYYFRYDT-UHFFFAOYSA-N 1 0 318.299 2.762 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)c2ccncc21 ZINC000141206465 275036065 /nfs/dbraw/zinc/03/60/65/275036065.db2.gz FIBGIUYKGCGOMS-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CCC2 ZINC000368102955 275038060 /nfs/dbraw/zinc/03/80/60/275038060.db2.gz RAQBZRXJFOAUQX-DOMZBBRYSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nccn3C1)CCC2 ZINC000373028608 275038125 /nfs/dbraw/zinc/03/81/25/275038125.db2.gz KQSQTAXZSHTNCD-CJNGLKHVSA-N 1 0 312.373 2.773 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[N@@H+](C3CCCC3)CC2)c(F)c1 ZINC000408469925 275040855 /nfs/dbraw/zinc/04/08/55/275040855.db2.gz PSXCWDUEDOJKDT-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO COc1cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240623 429189478 /nfs/dbraw/zinc/18/94/78/429189478.db2.gz MTNHPQFZSPVWEV-BLLLJJGKSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488574576 429185631 /nfs/dbraw/zinc/18/56/31/429185631.db2.gz RJHBGJIAEJDZAX-JKNJVXJCSA-N 1 0 303.406 2.880 20 5 DFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495512935 429216701 /nfs/dbraw/zinc/21/67/01/429216701.db2.gz JXRDNPLOGZEAHD-GXTWGEPZSA-N 1 0 321.377 2.551 20 5 DFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495559141 429223395 /nfs/dbraw/zinc/22/33/95/429223395.db2.gz NNRBADORNGUGGB-JSGCOSHPSA-N 1 0 321.377 2.551 20 5 DFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364436441 429202971 /nfs/dbraw/zinc/20/29/71/429202971.db2.gz YBKNUCNQGHWVSZ-GOSISDBHSA-N 1 0 323.352 2.691 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456160940 429251928 /nfs/dbraw/zinc/25/19/28/429251928.db2.gz COIYBOYOZMALGS-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000364938446 429269663 /nfs/dbraw/zinc/26/96/63/429269663.db2.gz GZHYXQJRJANTEB-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO CC(=O)c1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000269299669 275503753 /nfs/dbraw/zinc/50/37/53/275503753.db2.gz SYXHHCMTXUDQLN-UHFFFAOYSA-N 1 0 303.362 2.518 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC23CCCC3)c1 ZINC000365518517 429332543 /nfs/dbraw/zinc/33/25/43/429332543.db2.gz VVXRWAPCTXLPFQ-OAHLLOKOSA-N 1 0 320.389 2.743 20 5 DFBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425460338 429301316 /nfs/dbraw/zinc/30/13/16/429301316.db2.gz RKLHTEHVFKESTQ-VIFPVBQESA-N 1 0 317.183 2.824 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503503 429311487 /nfs/dbraw/zinc/31/14/87/429311487.db2.gz SLWJHVCPTYNYSY-OLZOCXBDSA-N 1 0 301.350 2.584 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426462903 429391496 /nfs/dbraw/zinc/39/14/96/429391496.db2.gz WIYWJDZBUUWLGG-SWLSCSKDSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000457082338 429394732 /nfs/dbraw/zinc/39/47/32/429394732.db2.gz WUZIPYRWJRDXNT-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269298156 275603070 /nfs/dbraw/zinc/60/30/70/275603070.db2.gz WPTZWCGXSLWKTL-MRXNPFEDSA-N 1 0 319.361 2.834 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449413611 429408472 /nfs/dbraw/zinc/40/84/72/429408472.db2.gz HTDMHPPOJJGKMZ-CABCVRRESA-N 1 0 306.362 2.806 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000449188007 429353211 /nfs/dbraw/zinc/35/32/11/429353211.db2.gz FLJTXRLAJQKCJH-IOASZLSFSA-N 1 0 303.406 2.598 20 5 DFBDRO CC[N@H+](CCNc1ncccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491544831 429372538 /nfs/dbraw/zinc/37/25/38/429372538.db2.gz JSSRBNALLMFONC-UHFFFAOYSA-N 1 0 306.288 2.676 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449308177 429384544 /nfs/dbraw/zinc/38/45/44/429384544.db2.gz VEDVXZUAGLPOCD-CQSZACIVSA-N 1 0 321.421 2.970 20 5 DFBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000517586162 429390322 /nfs/dbraw/zinc/39/03/22/429390322.db2.gz LPVMPFAETXTPNN-UONOGXRCSA-N 1 0 317.389 2.571 20 5 DFBDRO CC(C)c1nnc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000492052526 429458996 /nfs/dbraw/zinc/45/89/96/429458996.db2.gz YXZYUNLJKFBESJ-UHFFFAOYSA-N 1 0 306.391 2.902 20 5 DFBDRO Cc1c(C(=O)NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000457166502 429416694 /nfs/dbraw/zinc/41/66/94/429416694.db2.gz BSFYSXNJAMZBEU-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449442518 429419492 /nfs/dbraw/zinc/41/94/92/429419492.db2.gz ZKIDCHVUHOPRMV-CJNGLKHVSA-N 1 0 321.421 2.618 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706621 429430079 /nfs/dbraw/zinc/43/00/79/429430079.db2.gz PPTZNZNMBNIZGR-UKRRQHHQSA-N 1 0 319.405 2.641 20 5 DFBDRO Cn1cncc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498326 429434413 /nfs/dbraw/zinc/43/44/13/429434413.db2.gz KFJDPZDMVJXZCF-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO Cn1cncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449498332 429435584 /nfs/dbraw/zinc/43/55/84/429435584.db2.gz KFJDPZDMVJXZCF-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3[nH]cnc3c2)cc1 ZINC000518818420 429436417 /nfs/dbraw/zinc/43/64/17/429436417.db2.gz BTMLYYPLMPTCKK-UHFFFAOYSA-N 1 0 312.329 2.640 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CCSCC1 ZINC000449687340 429478443 /nfs/dbraw/zinc/47/84/43/429478443.db2.gz PCFOBWFVVNYLMC-UHFFFAOYSA-N 1 0 310.419 2.593 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033063 429484049 /nfs/dbraw/zinc/48/40/49/429484049.db2.gz AKDQBMXLMSFSQO-CJNGLKHVSA-N 1 0 319.405 2.566 20 5 DFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748922 429507087 /nfs/dbraw/zinc/50/70/87/429507087.db2.gz CPCRJJYEPQQZNQ-KBPBESRZSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(C(F)(F)F)s2)c1 ZINC000428863797 429557607 /nfs/dbraw/zinc/55/76/07/429557607.db2.gz BBTVLPKMSHRYTJ-UHFFFAOYSA-N 1 0 320.296 2.661 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000943 429568638 /nfs/dbraw/zinc/56/86/38/429568638.db2.gz GIMPQATWAIFBSJ-VKJFTORMSA-N 1 0 317.433 2.799 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000367066043 429569492 /nfs/dbraw/zinc/56/94/92/429569492.db2.gz IABUDKBLJCXHEY-UXLLHSPISA-N 1 0 317.389 2.693 20 5 DFBDRO C[NH+](C)C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450250773 429585258 /nfs/dbraw/zinc/58/52/58/429585258.db2.gz NMPTWAQFBOBPDW-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)s1 ZINC000367148547 429587156 /nfs/dbraw/zinc/58/71/56/429587156.db2.gz YMKYPZRNVPTOMZ-CYBMUJFWSA-N 1 0 318.402 2.810 20 5 DFBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000332072620 275897118 /nfs/dbraw/zinc/89/71/18/275897118.db2.gz XFUHLJMNAMPZEV-UONOGXRCSA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1nc(C2CCN(Cc3ccc([N+](=O)[O-])c(F)c3)CC2)n[nH]1 ZINC000367297770 429615296 /nfs/dbraw/zinc/61/52/96/429615296.db2.gz FLLFFIVVPISLIQ-UHFFFAOYSA-N 1 0 319.340 2.540 20 5 DFBDRO CC(C)CCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000429341889 429600650 /nfs/dbraw/zinc/60/06/50/429600650.db2.gz SOIBDVBUXZZPRF-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450328694 429600897 /nfs/dbraw/zinc/60/08/97/429600897.db2.gz ILZVVFJWBQPTDC-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429387258 429605004 /nfs/dbraw/zinc/60/50/04/429605004.db2.gz LBDXKELBYFIEGU-NHYWBVRUSA-N 1 0 324.352 2.753 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000450353352 429606683 /nfs/dbraw/zinc/60/66/83/429606683.db2.gz YOAKRWUWQMATKV-RYUDHWBXSA-N 1 0 317.393 2.780 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450363058 429610882 /nfs/dbraw/zinc/61/08/82/429610882.db2.gz UEUGVCQZMIYYOW-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450370602 429612634 /nfs/dbraw/zinc/61/26/34/429612634.db2.gz ZOJABVSSPZRTEW-ZIAGYGMSSA-N 1 0 314.389 3.428 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000450606991 429659903 /nfs/dbraw/zinc/65/99/03/429659903.db2.gz AXWGDUMPOPRXDA-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000430219073 429663290 /nfs/dbraw/zinc/66/32/90/429663290.db2.gz KQELNPUBSLOWCI-LSDHHAIUSA-N 1 0 322.405 2.832 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000430214588 429663342 /nfs/dbraw/zinc/66/33/42/429663342.db2.gz DYDGHKAUWPEHHE-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430211104 429663978 /nfs/dbraw/zinc/66/39/78/429663978.db2.gz WXSVGGKKBSOWQO-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000430220138 429665612 /nfs/dbraw/zinc/66/56/12/429665612.db2.gz BMQZZXCUCLTUEA-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000430241213 429667613 /nfs/dbraw/zinc/66/76/13/429667613.db2.gz GEARFNLHGPAONY-OCCSQVGLSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ccc(CN2CC[NH+]([C@@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000367536615 429667693 /nfs/dbraw/zinc/66/76/93/429667693.db2.gz WBUKFTQSMZHIDM-OAHLLOKOSA-N 1 0 321.446 2.526 20 5 DFBDRO Cc1ccc(CN2CC[NH+]([C@H]3CCSC3)CC2)cc1[N+](=O)[O-] ZINC000367536614 429667960 /nfs/dbraw/zinc/66/79/60/429667960.db2.gz WBUKFTQSMZHIDM-HNNXBMFYSA-N 1 0 321.446 2.526 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)[C@H]1C(C)C ZINC000430126049 429653996 /nfs/dbraw/zinc/65/39/96/429653996.db2.gz POUIXGRLRURXJW-HOTGVXAUSA-N 1 0 320.389 2.923 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193666710 276112398 /nfs/dbraw/zinc/11/23/98/276112398.db2.gz RCKMJCCVYWMNHG-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000367566436 429672363 /nfs/dbraw/zinc/67/23/63/429672363.db2.gz QBVVWMATIVUJKB-UHFFFAOYSA-N 1 0 306.362 2.652 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000266286680 276225874 /nfs/dbraw/zinc/22/58/74/276225874.db2.gz VSZPCFPQGRQSNQ-GWCFXTLKSA-N 1 0 312.801 2.810 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000525947431 429688667 /nfs/dbraw/zinc/68/86/67/429688667.db2.gz LDNAONBOGHIJDZ-CHWSQXEVSA-N 1 0 307.394 2.545 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430566855 429695114 /nfs/dbraw/zinc/69/51/14/429695114.db2.gz DKTSZAONYICCJZ-XJKSGUPXSA-N 1 0 321.421 2.941 20 5 DFBDRO CCOc1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000262316115 276381389 /nfs/dbraw/zinc/38/13/89/276381389.db2.gz QITRLGBDPDVHMU-AVGNSLFASA-N 1 0 305.378 2.557 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C[NH3+])C1 ZINC000430639319 429705074 /nfs/dbraw/zinc/70/50/74/429705074.db2.gz PATSYVIVYUVCNP-CYBMUJFWSA-N 1 0 307.394 2.553 20 5 DFBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000470863138 429711438 /nfs/dbraw/zinc/71/14/38/429711438.db2.gz RLXRYGGLWQMFCY-OAHLLOKOSA-N 1 0 320.437 3.467 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513014 429721013 /nfs/dbraw/zinc/72/10/13/429721013.db2.gz CICUDANOOJKFCR-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493291965 429728985 /nfs/dbraw/zinc/72/89/85/429728985.db2.gz BPJXHGUZTXZEER-PIZKADEWSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(=O)OC)CCC1 ZINC000272604950 276437523 /nfs/dbraw/zinc/43/75/23/276437523.db2.gz YJFDHVZUVPSCBC-CQSZACIVSA-N 1 0 306.362 2.806 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451105727 429769388 /nfs/dbraw/zinc/76/93/88/429769388.db2.gz MZQUXPSEJGLXCH-LBPRGKRZSA-N 1 0 305.378 2.694 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368104954 429789302 /nfs/dbraw/zinc/78/93/02/429789302.db2.gz MCIWBJIZMVOIBK-TZMCWYRMSA-N 1 0 314.389 2.786 20 5 DFBDRO COC[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451204397 429789464 /nfs/dbraw/zinc/78/94/64/429789464.db2.gz WUEIHVLQKFCNHG-HNNXBMFYSA-N 1 0 305.334 2.594 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339136 429816740 /nfs/dbraw/zinc/81/67/40/429816740.db2.gz ZGWJGBBYGHMBLZ-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000493733864 429820453 /nfs/dbraw/zinc/82/04/53/429820453.db2.gz DAJANRAJIGQGGB-MRXNPFEDSA-N 1 0 321.421 2.766 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451469337 429831756 /nfs/dbraw/zinc/83/17/56/429831756.db2.gz MCDOTQTYEQQYCP-YUELXQCFSA-N 1 0 306.362 2.507 20 5 DFBDRO CCO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451521110 429840575 /nfs/dbraw/zinc/84/05/75/429840575.db2.gz CUJCBMNEWWJQNO-CJNGLKHVSA-N 1 0 308.378 2.721 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000368448094 429850949 /nfs/dbraw/zinc/85/09/49/429850949.db2.gz XTSAFAIZHNZBMX-NWDGAFQWSA-N 1 0 323.418 2.569 20 5 DFBDRO CC[C@@H](C)NC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568702 429856221 /nfs/dbraw/zinc/85/62/21/429856221.db2.gz OAKSLHQOBQWFFY-UKRRQHHQSA-N 1 0 319.405 2.689 20 5 DFBDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000451593642 429859670 /nfs/dbraw/zinc/85/96/70/429859670.db2.gz CZDLJFUFGLGLKS-PBHICJAKSA-N 1 0 324.421 2.852 20 5 DFBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000494263165 429863039 /nfs/dbraw/zinc/86/30/39/429863039.db2.gz VYHMDLQFVJYEML-OWBHPGMISA-N 1 0 300.362 2.827 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493695630 429811388 /nfs/dbraw/zinc/81/13/88/429811388.db2.gz XBGOYICJXFXOKJ-ZHACJKMWSA-N 1 0 319.405 2.845 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432310110 429813277 /nfs/dbraw/zinc/81/32/77/429813277.db2.gz FQZOFJIYUDPJPQ-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1cc(C2=CC[N@H+](C[C@@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000368636413 429881888 /nfs/dbraw/zinc/88/18/88/429881888.db2.gz IAPNCJBAYANPBO-MRXNPFEDSA-N 1 0 319.405 2.591 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000368690732 429887980 /nfs/dbraw/zinc/88/79/80/429887980.db2.gz XFJYEJAYUPMGBG-RYUDHWBXSA-N 1 0 323.418 2.664 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374497734 276641295 /nfs/dbraw/zinc/64/12/95/276641295.db2.gz RQZQIRDXUWAOGN-XIRDDKMYSA-N 1 0 320.389 2.974 20 5 DFBDRO O=C(CC[N@@H+]1CCCC12CCC2)Nc1ccccc1[N+](=O)[O-] ZINC000369223960 429920508 /nfs/dbraw/zinc/92/05/08/429920508.db2.gz IKVXCSRUQTZJIB-UHFFFAOYSA-N 1 0 303.362 2.942 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NC[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000573087124 429925032 /nfs/dbraw/zinc/92/50/32/429925032.db2.gz TYGXQRHFMYSYJB-GFCCVEGCSA-N 1 0 316.405 2.765 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCn3ccnc3C2)ccc1Cl ZINC000369348637 429927679 /nfs/dbraw/zinc/92/76/79/429927679.db2.gz JPPUUUCAENQFGL-LBPRGKRZSA-N 1 0 320.780 2.797 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690216 429986865 /nfs/dbraw/zinc/98/68/65/429986865.db2.gz APMZWOTWIYHOTO-ZIAGYGMSSA-N 1 0 319.405 2.546 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000558492635 429975393 /nfs/dbraw/zinc/97/53/93/429975393.db2.gz DNBILEOQOFFCQZ-GMMCIKNFSA-N 1 0 312.373 2.868 20 5 DFBDRO Cc1ccc([C@@]2(C)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369384343 429934909 /nfs/dbraw/zinc/93/49/09/429934909.db2.gz RDUIWBQEQPGLBA-KRWDZBQOSA-N 1 0 314.389 2.763 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369471656 429953637 /nfs/dbraw/zinc/95/36/37/429953637.db2.gz OYCGQJQIQCYUBE-ZFWWWQNUSA-N 1 0 306.362 2.617 20 5 DFBDRO CC(C)CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000574072250 430007960 /nfs/dbraw/zinc/00/79/60/430007960.db2.gz SNVGAVXLNQPWBK-OAHLLOKOSA-N 1 0 322.405 2.750 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000133357354 276837455 /nfs/dbraw/zinc/83/74/55/276837455.db2.gz RTYKSMTVHNLUSI-CYBMUJFWSA-N 1 0 307.394 2.912 20 5 DFBDRO Cc1c(CNC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000562308151 430119050 /nfs/dbraw/zinc/11/90/50/430119050.db2.gz ZEEFVTRYZADQQV-UHFFFAOYSA-N 1 0 303.406 2.867 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270208118 277034731 /nfs/dbraw/zinc/03/47/31/277034731.db2.gz RIWVTMHTCVUVMS-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017359 277065128 /nfs/dbraw/zinc/06/51/28/277065128.db2.gz IOBJURXZGDRKCG-OLZOCXBDSA-N 1 0 310.785 2.706 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000283759021 277106336 /nfs/dbraw/zinc/10/63/36/277106336.db2.gz MQCXVMLRWBXGEY-BBRMVZONSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269075102 277111007 /nfs/dbraw/zinc/11/10/07/277111007.db2.gz BVNBYTOQWFGVCY-CABCVRRESA-N 1 0 317.389 2.718 20 5 DFBDRO C[N@@H+]1CCc2ncnc(Oc3cccc(Cl)c3[N+](=O)[O-])c2C1 ZINC000292775528 277191210 /nfs/dbraw/zinc/19/12/10/277191210.db2.gz LKSDJOIJQRTJBE-UHFFFAOYSA-N 1 0 320.736 2.818 20 5 DFBDRO CNC(=O)C(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279203377 277222453 /nfs/dbraw/zinc/22/24/53/277222453.db2.gz XNTGFVMBAQCCAU-AWEZNQCLSA-N 1 0 319.405 2.679 20 5 DFBDRO CN(C(=O)C[N@@H+]1CC[C@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000542317937 430207412 /nfs/dbraw/zinc/20/74/12/430207412.db2.gz JERGIDAGPOWBAF-ZDUSSCGKSA-N 1 0 319.405 2.926 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000581499526 430215187 /nfs/dbraw/zinc/21/51/87/430215187.db2.gz IXXYHDVQIQJQOV-QWHCGFSZSA-N 1 0 305.378 2.524 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000581499527 430215265 /nfs/dbraw/zinc/21/52/65/430215265.db2.gz IXXYHDVQIQJQOV-STQMWFEESA-N 1 0 305.378 2.524 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000566233775 430250745 /nfs/dbraw/zinc/25/07/45/430250745.db2.gz CGGYPEDMUSVVJW-ZJUUUORDSA-N 1 0 306.391 3.256 20 5 DFBDRO CCOc1cccc(N2CC[C@@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000581934030 430252178 /nfs/dbraw/zinc/25/21/78/430252178.db2.gz ARVOZBDGTRSMQF-INIZCTEOSA-N 1 0 305.378 2.573 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476542 430264829 /nfs/dbraw/zinc/26/48/29/430264829.db2.gz ZNVUNLSNNDVCMU-UHOFOFEASA-N 1 0 303.406 2.900 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000566482691 430266647 /nfs/dbraw/zinc/26/66/47/430266647.db2.gz PRDIGIJNJSNTRB-CHWSQXEVSA-N 1 0 305.378 2.666 20 5 DFBDRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544529327 430285460 /nfs/dbraw/zinc/28/54/60/430285460.db2.gz LUVLMUOTKZSWBW-GOEBONIOSA-N 1 0 322.405 2.989 20 5 DFBDRO CCOC(=O)[C@@H](CC(C)C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542979722 430234840 /nfs/dbraw/zinc/23/48/40/430234840.db2.gz KPCMPSLVYCXTBZ-MRXNPFEDSA-N 1 0 320.389 2.931 20 5 DFBDRO O=C1CCCCN1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581735874 430237818 /nfs/dbraw/zinc/23/78/18/430237818.db2.gz FGUHFZRLVXYOPX-OAHLLOKOSA-N 1 0 317.389 2.574 20 5 DFBDRO C[C@H](C(=O)NC1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582540143 430308213 /nfs/dbraw/zinc/30/82/13/430308213.db2.gz IWHMVIIPPHIILT-GRTSSRMGSA-N 1 0 319.405 2.687 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1 ZINC000582569313 430311620 /nfs/dbraw/zinc/31/16/20/430311620.db2.gz IMRJGRKWGWFWKW-BZNIZROVSA-N 1 0 303.362 2.776 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCOC3(CCOCC3)CC2)c(F)c1 ZINC000545268099 430311824 /nfs/dbraw/zinc/31/18/24/430311824.db2.gz QUYXIWRVRZEYSG-UHFFFAOYSA-N 1 0 324.352 2.505 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000582787011 430334087 /nfs/dbraw/zinc/33/40/87/430334087.db2.gz YBUZNIJSDJTPRJ-SFHVURJKSA-N 1 0 311.385 2.695 20 5 DFBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000568310917 430346510 /nfs/dbraw/zinc/34/65/10/430346510.db2.gz AFEUGPWPQKVMQP-GFCCVEGCSA-N 1 0 303.362 2.694 20 5 DFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000568763752 430390461 /nfs/dbraw/zinc/39/04/61/430390461.db2.gz IRRPPVNHWVHQOL-NWDGAFQWSA-N 1 0 318.295 2.863 20 5 DFBDRO CCc1ccc(C(=O)NC(C)(C)c2nc(C)c[nH]2)cc1[N+](=O)[O-] ZINC000568771745 430391045 /nfs/dbraw/zinc/39/10/45/430391045.db2.gz CVNFLEIQORQBNE-UHFFFAOYSA-N 1 0 316.361 2.854 20 5 DFBDRO CC(C)Oc1nc(N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000583574839 430408273 /nfs/dbraw/zinc/40/82/73/430408273.db2.gz KVBAMYNFPWFUPL-CQSZACIVSA-N 1 0 322.409 2.553 20 5 DFBDRO Cc1cc(C[C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000584124105 430462651 /nfs/dbraw/zinc/46/26/51/430462651.db2.gz UBEQVMSQGLDSEA-BONVTDFDSA-N 1 0 300.362 2.834 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000610715947 430565282 /nfs/dbraw/zinc/56/52/82/430565282.db2.gz IXGIHIFETBVYNV-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DFBDRO CC(C)Oc1nc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000570942825 430591103 /nfs/dbraw/zinc/59/11/03/430591103.db2.gz VHBDYEWSRWMRBE-UHFFFAOYSA-N 1 0 322.409 2.555 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000275919060 278030641 /nfs/dbraw/zinc/03/06/41/278030641.db2.gz YUOJETFBHPHTJY-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO CC(C)c1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000353708474 278037019 /nfs/dbraw/zinc/03/70/19/278037019.db2.gz GEPYIJLHOAKMJO-ZBFHGGJFSA-N 1 0 303.406 2.902 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572451686 430687332 /nfs/dbraw/zinc/68/73/32/430687332.db2.gz SSBJDUJNJCUPOC-LBPRGKRZSA-N 1 0 317.393 2.782 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000368669887 278247168 /nfs/dbraw/zinc/24/71/68/278247168.db2.gz BREIBRPPDUAUHF-CABCVRRESA-N 1 0 317.389 2.860 20 5 DFBDRO CC1(C)CN(c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC000212725226 278341800 /nfs/dbraw/zinc/34/18/00/278341800.db2.gz RNYFNQIDWUTSEZ-UHFFFAOYSA-N 1 0 314.183 2.546 20 5 DFBDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc([N+](=O)[O-])cc1 ZINC000274332553 278348723 /nfs/dbraw/zinc/34/87/23/278348723.db2.gz JCPDNKAPTLZCAX-LLVKDONJSA-N 1 0 318.402 2.790 20 5 DFBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186043942 279164616 /nfs/dbraw/zinc/16/46/16/279164616.db2.gz AQKOIEGETLSTPY-KRWDZBQOSA-N 1 0 314.389 2.889 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286246674 280102318 /nfs/dbraw/zinc/10/23/18/280102318.db2.gz BZAKRUSAUHXGSL-JQWIXIFHSA-N 1 0 310.785 2.706 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000182760057 281021378 /nfs/dbraw/zinc/02/13/78/281021378.db2.gz YSJLLRPIZIOLBW-ZFWWWQNUSA-N 1 0 315.377 2.893 20 5 DFBDRO Cc1ccccc1[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000091399986 281358507 /nfs/dbraw/zinc/35/85/07/281358507.db2.gz QISAZGGVEOFVKP-INIZCTEOSA-N 1 0 300.362 2.841 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279122634 281359301 /nfs/dbraw/zinc/35/93/01/281359301.db2.gz QESNREITEHKGLE-CABCVRRESA-N 1 0 317.389 2.576 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363413676 289091164 /nfs/dbraw/zinc/09/11/64/289091164.db2.gz FZJUQAVTFYPEEK-OIISXLGYSA-N 1 0 301.390 2.511 20 5 DFBDRO C[C@@H](C[NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415702760 289121444 /nfs/dbraw/zinc/12/14/44/289121444.db2.gz PTKIJASTADLSBY-JTQLQIEISA-N 1 0 308.382 2.609 20 5 DFBDRO C[C@H](C[NH3+])N(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415707558 289122000 /nfs/dbraw/zinc/12/20/00/289122000.db2.gz WKVFMQVUIATMKT-SNVBAGLBSA-N 1 0 308.382 2.703 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415755361 289130401 /nfs/dbraw/zinc/13/04/01/289130401.db2.gz CRGRKPXLRTYXEO-AAEUAGOBSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415760005 289131800 /nfs/dbraw/zinc/13/18/00/289131800.db2.gz JMDDGIHKAFOWDG-ZDUSSCGKSA-N 1 0 320.393 2.811 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000437351315 297060417 /nfs/dbraw/zinc/06/04/17/297060417.db2.gz FGKVEZZLKLJFKB-IORUMNFESA-N 1 0 318.373 2.929 20 5 DFBDRO COc1cccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000295020661 295305599 /nfs/dbraw/zinc/30/55/99/295305599.db2.gz UTGKCQIRRCWCIX-GFCCVEGCSA-N 1 0 305.378 2.524 20 5 DFBDRO O=C(CC[NH+]1Cc2ccccc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000155552591 295320800 /nfs/dbraw/zinc/32/08/00/295320800.db2.gz GTXVCCDUAWUDDH-UHFFFAOYSA-N 1 0 311.341 2.939 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000155715099 295323750 /nfs/dbraw/zinc/32/37/50/295323750.db2.gz JFUWSAZGRKDKLU-ZNFPLGDCSA-N 1 0 317.389 2.632 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC[C@H]1CCOC1 ZINC000158207776 295359622 /nfs/dbraw/zinc/35/96/22/295359622.db2.gz KEJGWQSBRTXHEZ-HUUCEWRRSA-N 1 0 322.405 2.997 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000411945687 295570214 /nfs/dbraw/zinc/57/02/14/295570214.db2.gz KQFLHVNHZGVBCC-ZBEGNZNMSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000441518139 297185500 /nfs/dbraw/zinc/18/55/00/297185500.db2.gz XOXZJHIZSXZOMM-STQMWFEESA-N 1 0 305.378 2.633 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000444632143 297242782 /nfs/dbraw/zinc/24/27/82/297242782.db2.gz YOBXJGVZHASXRQ-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000444670124 297244242 /nfs/dbraw/zinc/24/42/42/297244242.db2.gz FCXYMKGDYLMRCD-UHFFFAOYSA-N 1 0 318.377 2.861 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000444753722 297249194 /nfs/dbraw/zinc/24/91/94/297249194.db2.gz QICNCSXOAFEIHL-AWEZNQCLSA-N 1 0 319.405 2.926 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@@H](C)O1 ZINC000446078753 297274795 /nfs/dbraw/zinc/27/47/95/297274795.db2.gz HYGOSBINAGTOJU-MGPQQGTHSA-N 1 0 308.378 2.861 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000446829301 297287793 /nfs/dbraw/zinc/28/77/93/297287793.db2.gz GGBVIMOKXNKVDE-TZTCFGBESA-N 1 0 318.377 2.620 20 5 DFBDRO CC(C)COCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511492 297305773 /nfs/dbraw/zinc/30/57/73/297305773.db2.gz MAJSGJXCENKFBA-HUUCEWRRSA-N 1 0 324.425 2.927 20 5 DFBDRO CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515284 297305902 /nfs/dbraw/zinc/30/59/02/297305902.db2.gz BNAGWCLXGJLINB-KGLIPLIRSA-N 1 0 310.398 2.680 20 5 DFBDRO CCOCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447563784 297308526 /nfs/dbraw/zinc/30/85/26/297308526.db2.gz SKKGPOYVPCPWGH-UONOGXRCSA-N 1 0 310.398 2.681 20 5 DFBDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000447599159 297310275 /nfs/dbraw/zinc/31/02/75/297310275.db2.gz WZAUIILOUKBSPD-MGPQQGTHSA-N 1 0 322.409 2.822 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000447692669 297313285 /nfs/dbraw/zinc/31/32/85/297313285.db2.gz HJVANRIPKISEPT-HZMBPMFUSA-N 1 0 303.366 2.612 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449239204 297427380 /nfs/dbraw/zinc/42/73/80/297427380.db2.gz IMLLBANEKLXSJF-UPJWGTAASA-N 1 0 308.378 2.703 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccco1 ZINC000449252874 297429859 /nfs/dbraw/zinc/42/98/59/297429859.db2.gz UCAIYJAWWCZJKF-OCCSQVGLSA-N 1 0 304.346 2.832 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CCOCC2 ZINC000449267207 297432414 /nfs/dbraw/zinc/43/24/14/297432414.db2.gz YXAVQQRWCUIQCN-ZFWWWQNUSA-N 1 0 304.390 2.932 20 5 DFBDRO CC(C)[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000449314958 297444207 /nfs/dbraw/zinc/44/42/07/297444207.db2.gz GAOXZHDNBGDYBK-WFASDCNBSA-N 1 0 317.393 2.641 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449514973 297484492 /nfs/dbraw/zinc/48/44/92/297484492.db2.gz ZGGZIIGWCMBBHA-RNHYTNQLSA-N 1 0 316.401 2.995 20 5 DFBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449636569 297504066 /nfs/dbraw/zinc/50/40/66/297504066.db2.gz DOSOLGFHOHRQDO-NWDGAFQWSA-N 1 0 318.320 2.835 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000449638118 297504420 /nfs/dbraw/zinc/50/44/20/297504420.db2.gz JGVNNRXAIJIAOO-WDEREUQCSA-N 1 0 323.418 2.564 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000449646399 297505915 /nfs/dbraw/zinc/50/59/15/297505915.db2.gz NSBQKDZEZVYYNQ-PWSUYJOCSA-N 1 0 317.345 2.588 20 5 DFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452055712 297917754 /nfs/dbraw/zinc/91/77/54/297917754.db2.gz SERGDRCOOMYDRV-UKRRQHHQSA-N 1 0 318.377 2.908 20 5 DFBDRO COC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453216408 298071988 /nfs/dbraw/zinc/07/19/88/298071988.db2.gz DVTSAIGFSQZUMH-ZIAGYGMSSA-N 1 0 322.409 2.824 20 5 DFBDRO Cc1ccncc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453319974 298083163 /nfs/dbraw/zinc/08/31/63/298083163.db2.gz FGEVYLXRRNVPCG-LSDHHAIUSA-N 1 0 315.377 2.768 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000453429517 298094640 /nfs/dbraw/zinc/09/46/40/298094640.db2.gz IIMSTROHFDRLIF-GZBFAFLISA-N 1 0 317.389 2.707 20 5 DFBDRO CC[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453444296 298096933 /nfs/dbraw/zinc/09/69/33/298096933.db2.gz OILFGDSULAJABP-KBMXLJTQSA-N 1 0 317.389 2.789 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000456171578 298464794 /nfs/dbraw/zinc/46/47/94/298464794.db2.gz OOOGRMFCIRNTST-UHFFFAOYSA-N 1 0 321.421 2.764 20 5 DFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000499656785 300202985 /nfs/dbraw/zinc/20/29/85/300202985.db2.gz WSNYGPZIYRDWLQ-INIZCTEOSA-N 1 0 321.421 2.840 20 5 DFBDRO CCC[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000499643583 300203003 /nfs/dbraw/zinc/20/30/03/300203003.db2.gz ZWZWSXFBZFLDMP-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000507268477 300235035 /nfs/dbraw/zinc/23/50/35/300235035.db2.gz RHBSINUNXJCIBB-GAFUQQFSSA-N 1 0 323.418 2.571 20 5 DFBDRO [NH3+]CCC1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000514675607 300266163 /nfs/dbraw/zinc/26/61/63/300266163.db2.gz JXIBDBMMOUAZJH-UHFFFAOYSA-N 1 0 315.320 2.761 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000515366347 300303258 /nfs/dbraw/zinc/30/32/58/300303258.db2.gz PXBMRHZFXZEHOJ-GLKRBJQHSA-N 1 0 303.362 2.774 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000515500014 300310717 /nfs/dbraw/zinc/31/07/17/300310717.db2.gz SGGKKHPSEYOWGB-GFCCVEGCSA-N 1 0 305.378 2.524 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516575506 300350230 /nfs/dbraw/zinc/35/02/30/300350230.db2.gz TYGBHXDGZUMAQI-WBMJQRKESA-N 1 0 317.389 2.646 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000516708696 300356957 /nfs/dbraw/zinc/35/69/57/300356957.db2.gz OIYVIOFOUCBYFR-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516860125 300363981 /nfs/dbraw/zinc/36/39/81/300363981.db2.gz CUBLUCPJIBIUMT-ZDUSSCGKSA-N 1 0 319.405 2.546 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000519555774 300458758 /nfs/dbraw/zinc/45/87/58/300458758.db2.gz RRWWTCNQEYRKKN-HZMBPMFUSA-N 1 0 321.377 2.709 20 5 DFBDRO CCn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000519561868 300459236 /nfs/dbraw/zinc/45/92/36/300459236.db2.gz VIWBJTMVLQTNEN-UHFFFAOYSA-N 1 0 313.361 2.625 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000519603248 300462446 /nfs/dbraw/zinc/46/24/46/300462446.db2.gz HOGDABGCNGLSPA-NCRRVARUSA-N 1 0 324.384 2.650 20 5 DFBDRO C[C@H]1C[C@H](C)[NH+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000525996792 300616581 /nfs/dbraw/zinc/61/65/81/300616581.db2.gz JGNOKXDAEHXULE-RYUDHWBXSA-N 1 0 300.362 2.978 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ncccc2F)n1 ZINC000530418344 301047161 /nfs/dbraw/zinc/04/71/61/301047161.db2.gz RDCAUTRNCGBZDB-GXTWGEPZSA-N 1 0 319.340 2.599 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCSCC1 ZINC000531718129 301106127 /nfs/dbraw/zinc/10/61/27/301106127.db2.gz OYTAWQDNINVUIK-CYBMUJFWSA-N 1 0 309.435 2.603 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532279375 301142094 /nfs/dbraw/zinc/14/20/94/301142094.db2.gz IRCSWKIZVVGSLB-KBPBESRZSA-N 1 0 318.373 2.998 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000534751632 301236840 /nfs/dbraw/zinc/23/68/40/301236840.db2.gz KOEXLJJTHUYAGL-WBVHZDCISA-N 1 0 320.389 2.849 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000539082122 301337983 /nfs/dbraw/zinc/33/79/83/301337983.db2.gz AIJPSDUOKTXTGF-HIFPTAJRSA-N 1 0 305.378 2.598 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000540609737 301366067 /nfs/dbraw/zinc/36/60/67/301366067.db2.gz YRJVJAXFJXLFAF-XHSDSOJGSA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C2CC2)CC1 ZINC000540753543 301368641 /nfs/dbraw/zinc/36/86/41/301368641.db2.gz QLTKDNWQIFPABG-NSHDSACASA-N 1 0 303.362 2.844 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000563014440 302026080 /nfs/dbraw/zinc/02/60/80/302026080.db2.gz WDPQQHJGNXHJLC-ORIJERBGSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000563417181 302069959 /nfs/dbraw/zinc/06/99/59/302069959.db2.gz JKOVTNREGVYUET-ZUZCIYMTSA-N 1 0 300.362 2.975 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000563779356 302097458 /nfs/dbraw/zinc/09/74/58/302097458.db2.gz NVSKUTMQCZSEPP-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[NH+](C)Cc1ccccc1NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000563793684 302098510 /nfs/dbraw/zinc/09/85/10/302098510.db2.gz MESXOGKLLUGDJD-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)c1ccccc1 ZINC000563898210 302107370 /nfs/dbraw/zinc/10/73/70/302107370.db2.gz FGSVEFXNVCLGKN-RHSMWYFYSA-N 1 0 312.369 2.948 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565447073 302225621 /nfs/dbraw/zinc/22/56/21/302225621.db2.gz AEOWGZCCOQQVPR-KBPBESRZSA-N 1 0 321.421 2.935 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)C3CCCCC3)nc2c1 ZINC000567700593 302381666 /nfs/dbraw/zinc/38/16/66/302381666.db2.gz MYDWYRIECDGHRF-HNNXBMFYSA-N 1 0 318.377 2.502 20 5 DFBDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569473308 302520476 /nfs/dbraw/zinc/52/04/76/302520476.db2.gz XAAPKVWJWSSZCW-HNNXBMFYSA-N 1 0 300.362 2.722 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](C)C ZINC000571957659 302638348 /nfs/dbraw/zinc/63/83/48/302638348.db2.gz CTTIXJHJBOMSRI-LBPRGKRZSA-N 1 0 305.334 2.911 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CSCC1CC[NH2+]CC1 ZINC000572119165 302644082 /nfs/dbraw/zinc/64/40/82/302644082.db2.gz XUIAYXRDWOSSDM-UHFFFAOYSA-N 1 0 323.418 2.575 20 5 DFBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574444962 302759285 /nfs/dbraw/zinc/75/92/85/302759285.db2.gz JHLHWIRVAIEWMY-YDHLFZDLSA-N 1 0 310.394 2.749 20 5 DFBDRO COc1cc(C)nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000316852086 533700449 /nfs/dbraw/zinc/70/04/49/533700449.db2.gz FJQKMADKNCZPPV-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000171162500 315910877 /nfs/dbraw/zinc/91/08/77/315910877.db2.gz BLIVIIKQNJEKEG-VOTSOKGWSA-N 1 0 317.389 2.597 20 5 DFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)cc1 ZINC000181679209 316067101 /nfs/dbraw/zinc/06/71/01/316067101.db2.gz ZUUCCEZBKGRORE-INIZCTEOSA-N 1 0 315.373 2.806 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181936540 316079220 /nfs/dbraw/zinc/07/92/20/316079220.db2.gz UHVNUVGRAIAWMH-CABCVRRESA-N 1 0 322.405 2.703 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182295332 316094233 /nfs/dbraw/zinc/09/42/33/316094233.db2.gz VMCKNWKPJMQNDM-DZGCQCFKSA-N 1 0 324.377 2.529 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183155216 316132081 /nfs/dbraw/zinc/13/20/81/316132081.db2.gz NIHXUYKYKRSICK-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C1CCCCC1 ZINC000185529205 316187907 /nfs/dbraw/zinc/18/79/07/316187907.db2.gz IOOGMXQQHRDDDU-KGLIPLIRSA-N 1 0 321.421 2.951 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000316584024 316246048 /nfs/dbraw/zinc/24/60/48/316246048.db2.gz RMIXHPOVNVQAGB-LLVKDONJSA-N 1 0 303.366 2.613 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000322308970 316258726 /nfs/dbraw/zinc/25/87/26/316258726.db2.gz XPGQBWUCJANPHB-GFCCVEGCSA-N 1 0 321.377 2.524 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414520847 316617343 /nfs/dbraw/zinc/61/73/43/316617343.db2.gz DHVIUFTXRHRVEO-HNNXBMFYSA-N 1 0 318.348 2.908 20 5 DFBDRO [NH3+]C[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414796350 316660638 /nfs/dbraw/zinc/66/06/38/316660638.db2.gz HQWVFNWRCFEQBP-HNNXBMFYSA-N 1 0 301.346 2.682 20 5 DFBDRO [NH3+]C[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414796351 316660671 /nfs/dbraw/zinc/66/06/71/316660671.db2.gz HQWVFNWRCFEQBP-OAHLLOKOSA-N 1 0 301.346 2.682 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417138235 316671823 /nfs/dbraw/zinc/67/18/23/316671823.db2.gz NPMMIHUMTLRRLS-XUJVJEKNSA-N 1 0 320.393 2.567 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccccc1 ZINC000449248088 317032227 /nfs/dbraw/zinc/03/22/27/317032227.db2.gz HSKXRBFPXCBRRA-WMLDXEAASA-N 1 0 314.385 2.719 20 5 DFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)N(C)C ZINC000449554232 317042106 /nfs/dbraw/zinc/04/21/06/317042106.db2.gz BJLZXRMYEMDKCR-LBPRGKRZSA-N 1 0 303.362 2.895 20 5 DFBDRO CSc1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449639362 317046143 /nfs/dbraw/zinc/04/61/43/317046143.db2.gz OQAXGSQDWBLWSH-CMPLNLGQSA-N 1 0 323.418 2.564 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449673029 317051674 /nfs/dbraw/zinc/05/16/74/317051674.db2.gz NSZKKWHCEWZOQT-DGCLKSJQSA-N 1 0 318.295 2.648 20 5 DFBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000450375373 317086974 /nfs/dbraw/zinc/08/69/74/317086974.db2.gz DQQFAKHSRCUKDG-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453295077 317177609 /nfs/dbraw/zinc/17/76/09/317177609.db2.gz PBKQUFJOMGPIHY-DVOMOZLQSA-N 1 0 308.378 2.605 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453452943 317184885 /nfs/dbraw/zinc/18/48/85/317184885.db2.gz SOFYYSHAJIKUHO-CFVMTHIKSA-N 1 0 317.389 2.707 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491503516 317578613 /nfs/dbraw/zinc/57/86/13/317578613.db2.gz DFARMWGXGGQIRN-WOLCWHLNSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491505810 317578622 /nfs/dbraw/zinc/57/86/22/317578622.db2.gz MKVNDOHZJIFJFU-SCOAYWHSSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491503513 317578638 /nfs/dbraw/zinc/57/86/38/317578638.db2.gz DFARMWGXGGQIRN-AUECHBEKSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2nccs2)n1 ZINC000575867598 318088458 /nfs/dbraw/zinc/08/84/58/318088458.db2.gz CGGNHDSXCIYFQJ-NEPJUHHUSA-N 1 0 321.406 2.564 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575974484 318095312 /nfs/dbraw/zinc/09/53/12/318095312.db2.gz JUMKEAJHHSOXDB-GWCFXTLKSA-N 1 0 300.362 2.625 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575974486 318095379 /nfs/dbraw/zinc/09/53/79/318095379.db2.gz JUMKEAJHHSOXDB-MFKMUULPSA-N 1 0 300.362 2.625 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1(CO)Cc2ccccc2C1 ZINC000576887559 318157759 /nfs/dbraw/zinc/15/77/59/318157759.db2.gz XNLHZWHCYSKNDM-KRWDZBQOSA-N 1 0 324.380 2.702 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000576957109 318162501 /nfs/dbraw/zinc/16/25/01/318162501.db2.gz JZKNXAGNWORTGG-RHSMWYFYSA-N 1 0 312.369 2.775 20 5 DFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000577505338 318197677 /nfs/dbraw/zinc/19/76/77/318197677.db2.gz HIABXCBWVOWKSN-LBPRGKRZSA-N 1 0 302.334 2.923 20 5 DFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000577817481 318218213 /nfs/dbraw/zinc/21/82/13/318218213.db2.gz JDRPICUVXPUDQJ-MRXNPFEDSA-N 1 0 314.389 2.954 20 5 DFBDRO CC1(C)CC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000577961560 318229379 /nfs/dbraw/zinc/22/93/79/318229379.db2.gz WNSRKDBNVLCPGA-AWEZNQCLSA-N 1 0 319.361 2.671 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000578450581 318262007 /nfs/dbraw/zinc/26/20/07/318262007.db2.gz FZMQLLHKQQONBI-GJZGRUSLSA-N 1 0 308.378 2.631 20 5 DFBDRO Cc1n[nH]c(C)c1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579519495 318336259 /nfs/dbraw/zinc/33/62/59/318336259.db2.gz GSBMLWSQIGNDIK-UHFFFAOYSA-N 1 0 313.361 2.748 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000579966999 318366936 /nfs/dbraw/zinc/36/69/36/318366936.db2.gz IPWDTJCTQHFBQQ-UHFFFAOYSA-N 1 0 323.418 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000194005844 323261841 /nfs/dbraw/zinc/26/18/41/323261841.db2.gz RTIUGPQKPNOFMO-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1nnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)s1 ZINC000391890774 323347321 /nfs/dbraw/zinc/34/73/21/323347321.db2.gz AUPCBYAMDYEUAK-UHFFFAOYSA-N 1 0 315.358 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([C@@H]3CCC[NH2+]3)CC1)CCN2 ZINC000580422288 323382948 /nfs/dbraw/zinc/38/29/48/323382948.db2.gz UDGMEQFMDVHCDF-AWEZNQCLSA-N 1 0 316.405 2.531 20 5 DFBDRO Cc1cc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000581938116 323591869 /nfs/dbraw/zinc/59/18/69/323591869.db2.gz JRYSPXSLRIBTPD-CYBMUJFWSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000582411106 323667825 /nfs/dbraw/zinc/66/78/25/323667825.db2.gz SFVDQRMLJUCANL-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO [NH3+][C@H](CNC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000179572565 337170249 /nfs/dbraw/zinc/17/02/49/337170249.db2.gz MWSAHIXCFGQADF-QGZVFWFLSA-N 1 0 305.381 2.855 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302361732 533824750 /nfs/dbraw/zinc/82/47/50/533824750.db2.gz FPSYPBRKBDPTJT-NSHDSACASA-N 1 0 323.422 2.980 20 5 DFBDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744514 533985489 /nfs/dbraw/zinc/98/54/89/533985489.db2.gz LOFSAFOAYVWCQL-YUTCNCBUSA-N 1 0 306.410 2.700 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294431518 534009873 /nfs/dbraw/zinc/00/98/73/534009873.db2.gz UUDUDNYKAHMHMT-YNZJMPHRSA-N 1 0 305.378 2.785 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC1)OCCCO2 ZINC000292852700 534093720 /nfs/dbraw/zinc/09/37/20/534093720.db2.gz ABEPPLJAKUOLSX-ZDUSSCGKSA-N 1 0 306.362 2.885 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000302123435 534245568 /nfs/dbraw/zinc/24/55/68/534245568.db2.gz YVXAWTPSOAMISW-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO CCOc1cc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365192476 520699614 /nfs/dbraw/zinc/69/96/14/520699614.db2.gz WRZWJGPQQIVMMQ-ZBFHGGJFSA-N 1 0 319.405 2.520 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000131313384 521139485 /nfs/dbraw/zinc/13/94/85/521139485.db2.gz ZWBFYEDWNKNPJT-YUTCNCBUSA-N 1 0 306.362 2.977 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000294716585 534887309 /nfs/dbraw/zinc/88/73/09/534887309.db2.gz CFFCRQCKTBUYGA-WBVHZDCISA-N 1 0 313.357 3.000 20 5 DFBDRO Cc1ccc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000365063270 526085057 /nfs/dbraw/zinc/08/50/57/526085057.db2.gz WPANOUOSVKWWFZ-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330716367 526672096 /nfs/dbraw/zinc/67/20/96/526672096.db2.gz UHBDLHQVZZYKIY-UKRRQHHQSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000293012277 527216525 /nfs/dbraw/zinc/21/65/25/527216525.db2.gz JWHZFWDHIUOLNN-AWEZNQCLSA-N 1 0 314.332 2.760 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292788890 527289093 /nfs/dbraw/zinc/28/90/93/527289093.db2.gz MIQYGPFOZUNLLF-KRWDZBQOSA-N 1 0 317.389 2.720 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000365080092 527370860 /nfs/dbraw/zinc/37/08/60/527370860.db2.gz JZMANTVSJMNZKR-OAHLLOKOSA-N 1 0 316.361 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365166810 527386994 /nfs/dbraw/zinc/38/69/94/527386994.db2.gz ZUISZOOBLSIGIX-YJBOKZPZSA-N 1 0 312.369 2.980 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000297747713 527940125 /nfs/dbraw/zinc/94/01/25/527940125.db2.gz UCJSLZPRWFKVLL-RRFJBIMHSA-N 1 0 310.419 2.636 20 5 DFBDRO CCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000299355026 527964879 /nfs/dbraw/zinc/96/48/79/527964879.db2.gz HOLHFUMPNCSOLZ-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000317230415 528508492 /nfs/dbraw/zinc/50/84/92/528508492.db2.gz ZSUHJFTZCUHGOY-AWEZNQCLSA-N 1 0 302.378 2.953 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000302119140 529005039 /nfs/dbraw/zinc/00/50/39/529005039.db2.gz XHXBDYHIXGJDIW-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO CCC[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294894083 529024063 /nfs/dbraw/zinc/02/40/63/529024063.db2.gz GNYGPMQWWGSVQV-CQSZACIVSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[N@@H+]1CCC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000318366904 529092711 /nfs/dbraw/zinc/09/27/11/529092711.db2.gz DUHCLVJGCVVPND-VIFPVBQESA-N 1 0 318.299 2.905 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)C(F)F ZINC000295016808 529181536 /nfs/dbraw/zinc/18/15/36/529181536.db2.gz KCPFHANWBYVGTH-GHMZBOCLSA-N 1 0 308.712 2.742 20 5 DFBDRO CC[C@@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+](C)C ZINC000299044710 529274018 /nfs/dbraw/zinc/27/40/18/529274018.db2.gz UIPCLKDVGGLLOU-HNNXBMFYSA-N 1 0 307.394 2.672 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000170916134 535548698 /nfs/dbraw/zinc/54/86/98/535548698.db2.gz LBUFGLPKSLTCLY-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1(C[NH+](C)C)CCCC1 ZINC000361008898 535969711 /nfs/dbraw/zinc/96/97/11/535969711.db2.gz XTPOYHSQSLOQSR-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])[nH]3)n2)cc1 ZINC000355598769 535992954 /nfs/dbraw/zinc/99/29/54/535992954.db2.gz QMHMWGQTARYQTP-UHFFFAOYSA-N 1 0 313.317 2.702 20 5 DFBDRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519092 536536584 /nfs/dbraw/zinc/53/65/84/536536584.db2.gz IHVBBMRCKAPGNR-HUUCEWRRSA-N 1 0 322.405 2.949 20 5 DFBDRO COc1ccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261642204 536781658 /nfs/dbraw/zinc/78/16/58/536781658.db2.gz DXSHPVVIUHBWRR-RYUDHWBXSA-N 1 0 321.377 2.568 20 5 DFBDRO CC[C@@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000272868948 210260650 /nfs/dbraw/zinc/26/06/50/210260650.db2.gz ZDRHCMQHQCXLFN-LBPRGKRZSA-N 1 0 309.366 2.662 20 5 DFBDRO CCOC1CC(O)(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000278434999 214150999 /nfs/dbraw/zinc/15/09/99/214150999.db2.gz JVFLAUJGUTZFPF-HWOWSKLDSA-N 1 0 308.378 2.566 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000278534847 214218867 /nfs/dbraw/zinc/21/88/67/214218867.db2.gz VRWOXLJYKZMZMN-UHFFFAOYSA-N 1 0 323.393 2.642 20 5 DFBDRO CCC[C@@H]([NH2+]CC1(O)CC(OCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000278564751 214239985 /nfs/dbraw/zinc/23/99/85/214239985.db2.gz WWYZVOLZJWKBAU-AQFXKWCLSA-N 1 0 322.405 2.956 20 5 DFBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278684555 214323366 /nfs/dbraw/zinc/32/33/66/214323366.db2.gz IHRMROGEEUWFIX-QPUJVOFHSA-N 1 0 304.268 2.881 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH2+]Cc1cccnc1 ZINC000315854559 231145029 /nfs/dbraw/zinc/14/50/29/231145029.db2.gz GUVHCILAYBCCIJ-UHFFFAOYSA-N 1 0 300.362 2.890 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000317947046 231165131 /nfs/dbraw/zinc/16/51/31/231165131.db2.gz GIKKOBSHCZPKCQ-QWHCGFSZSA-N 1 0 305.378 2.565 20 5 DFBDRO O=[N+]([O-])c1cccc2c(NCC[NH+]3CCSCC3)ccnc21 ZINC000318585018 231172660 /nfs/dbraw/zinc/17/26/60/231172660.db2.gz DYNBFILNEXZBCJ-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000317351643 231161013 /nfs/dbraw/zinc/16/10/13/231161013.db2.gz YYQJTMLOQFDOBF-WDEREUQCSA-N 1 0 306.322 2.542 20 5 DFBDRO Cc1cc(C(=O)Nc2cccc3c2C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000323741257 231218825 /nfs/dbraw/zinc/21/88/25/231218825.db2.gz XZYBNEHTGBUYGJ-UHFFFAOYSA-N 1 0 311.341 2.801 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214520 185220081 /nfs/dbraw/zinc/22/00/81/185220081.db2.gz PPRHRWLHXQRMHT-CYBMUJFWSA-N 1 0 318.377 2.652 20 5 DFBDRO CN(CCC[NH+](C)C)c1c(Br)cccc1[N+](=O)[O-] ZINC000596187150 398351349 /nfs/dbraw/zinc/35/13/49/398351349.db2.gz YZYLRQNHTXPUMX-UHFFFAOYSA-N 1 0 316.199 2.745 20 5 DFBDRO C[C@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000591915866 398353597 /nfs/dbraw/zinc/35/35/97/398353597.db2.gz XQZSYDOBCVJMOF-AAEUAGOBSA-N 1 0 304.394 2.763 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081636485 398365015 /nfs/dbraw/zinc/36/50/15/398365015.db2.gz JESJSTGKODCMOW-AWEZNQCLSA-N 1 0 321.396 2.898 20 5 DFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596244414 398366577 /nfs/dbraw/zinc/36/65/77/398366577.db2.gz QJLYKEWLIKEEEE-FZMZJTMJSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000596243904 398366108 /nfs/dbraw/zinc/36/61/08/398366108.db2.gz MFPBEVMHLBEVJI-SMDDNHRTSA-N 1 0 300.362 2.672 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000596251845 398368632 /nfs/dbraw/zinc/36/86/32/398368632.db2.gz ZOJGJNAVPHOLBX-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO CCCC[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000066371840 398372224 /nfs/dbraw/zinc/37/22/24/398372224.db2.gz IIJNAPJLTCFISR-UHFFFAOYSA-N 1 0 323.422 2.980 20 5 DFBDRO CC[NH+](CC)Cc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000008375732 398373250 /nfs/dbraw/zinc/37/32/50/398373250.db2.gz CCJHPIJZOKQLQX-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1[NH+](C)C ZINC000413191751 295684848 /nfs/dbraw/zinc/68/48/48/295684848.db2.gz ZDHBLRXCYNMJAV-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO COc1cc(N(C)C[C@@H]2CCC[N@@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596279773 398375246 /nfs/dbraw/zinc/37/52/46/398375246.db2.gz WFNBHWAYLVPGRZ-JTQLQIEISA-N 1 0 313.785 2.787 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000596309358 398382415 /nfs/dbraw/zinc/38/24/15/398382415.db2.gz ZKJKPGREINTMRP-VIFPVBQESA-N 1 0 309.395 2.589 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090177840 185285064 /nfs/dbraw/zinc/28/50/64/185285064.db2.gz MJQDKBWUWXURCH-DGCLKSJQSA-N 1 0 305.378 2.645 20 5 DFBDRO CC(C)CC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552687 185302808 /nfs/dbraw/zinc/30/28/08/185302808.db2.gz HZESPFQKRHUNKB-CQSZACIVSA-N 1 0 307.394 2.657 20 5 DFBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552693 185302951 /nfs/dbraw/zinc/30/29/51/185302951.db2.gz VUYZQXBROWZWNP-DZGCQCFKSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596335994 398389355 /nfs/dbraw/zinc/38/93/55/398389355.db2.gz KGKXIBYLYXBYGG-VIFPVBQESA-N 1 0 321.406 2.884 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1[N+](=O)[O-] ZINC000092648538 185331396 /nfs/dbraw/zinc/33/13/96/185331396.db2.gz OITGDERHTNWKNG-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000592140187 398390352 /nfs/dbraw/zinc/39/03/52/398390352.db2.gz PFAGEKGIYDXRDI-HNNXBMFYSA-N 1 0 313.357 2.858 20 5 DFBDRO Cc1cccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCC2)c1 ZINC000592146435 398391738 /nfs/dbraw/zinc/39/17/38/398391738.db2.gz PXFMNGDMNSWOGF-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592153910 398393817 /nfs/dbraw/zinc/39/38/17/398393817.db2.gz MHIZFKRHRWBQFI-UONOGXRCSA-N 1 0 306.410 2.940 20 5 DFBDRO Cc1nc(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)no1 ZINC000092787691 185341522 /nfs/dbraw/zinc/34/15/22/185341522.db2.gz AQRGRVUJPSRPTE-UHFFFAOYSA-N 1 0 316.361 2.974 20 5 DFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)ccc1[N+](=O)[O-] ZINC000015387642 398395835 /nfs/dbraw/zinc/39/58/35/398395835.db2.gz STFQEWNSLVPKFS-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H]1CC2(C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592181101 398397385 /nfs/dbraw/zinc/39/73/85/398397385.db2.gz CECOHNQZROQHMT-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO COCCOCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181472646 199302371 /nfs/dbraw/zinc/30/23/71/199302371.db2.gz SKFPHORYKXCQKL-UHFFFAOYSA-N 1 0 305.334 2.526 20 5 DFBDRO O=[N+]([O-])c1cnccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000066810974 398400713 /nfs/dbraw/zinc/40/07/13/398400713.db2.gz XSJMTWOXJNVODZ-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592199037 398400774 /nfs/dbraw/zinc/40/07/74/398400774.db2.gz BAKHFTQNMXYFDI-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO CCc1nn(C)c(N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301988604 529767678 /nfs/dbraw/zinc/76/76/78/529767678.db2.gz NTHQDWAPWNOBRT-FRRDWIJNSA-N 1 0 323.441 2.669 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000066945568 398409042 /nfs/dbraw/zinc/40/90/42/398409042.db2.gz KCMUGDKCESFSSG-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+](C)C ZINC000596428715 398409986 /nfs/dbraw/zinc/40/99/86/398409986.db2.gz GZENBEFULLVORN-SECBINFHSA-N 1 0 303.309 2.948 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596437517 398412308 /nfs/dbraw/zinc/41/23/08/398412308.db2.gz VOMWEMBUBPYBAI-LLVKDONJSA-N 1 0 324.356 2.682 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596440886 398413015 /nfs/dbraw/zinc/41/30/15/398413015.db2.gz LXHTZMGMFICROC-ZDUSSCGKSA-N 1 0 306.366 2.589 20 5 DFBDRO C/C(=C\c1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592356893 398414976 /nfs/dbraw/zinc/41/49/76/398414976.db2.gz KZOBFXZUYVFBCC-WTNCMQEWSA-N 1 0 300.318 2.963 20 5 DFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](CC)C1 ZINC000596458047 398417964 /nfs/dbraw/zinc/41/79/64/398417964.db2.gz RHCSSHZYYCBUDS-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000596458048 398418225 /nfs/dbraw/zinc/41/82/25/398418225.db2.gz RHCSSHZYYCBUDS-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCS[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000592380897 398419374 /nfs/dbraw/zinc/41/93/74/398419374.db2.gz UGGUEADODCWJJI-KOLCDFICSA-N 1 0 312.391 2.596 20 5 DFBDRO Cc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426216 398424316 /nfs/dbraw/zinc/42/43/16/398424316.db2.gz NBHMKONTVDEXNJ-HOTGVXAUSA-N 1 0 303.406 2.867 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592421312 398424558 /nfs/dbraw/zinc/42/45/58/398424558.db2.gz CJNOVEXDCCRZOC-AWEZNQCLSA-N 1 0 318.377 2.699 20 5 DFBDRO CO[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000253341772 398421332 /nfs/dbraw/zinc/42/13/32/398421332.db2.gz ZLRDMAOZEWSQLX-XJKSGUPXSA-N 1 0 308.378 2.721 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCS[C@H]1C ZINC000592400047 398421776 /nfs/dbraw/zinc/42/17/76/398421776.db2.gz PYYBZBUAQDJQKG-UHIISALHSA-N 1 0 323.418 2.796 20 5 DFBDRO CCOC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083243311 192366516 /nfs/dbraw/zinc/36/65/16/192366516.db2.gz PBHGCHFINHATQI-NSHDSACASA-N 1 0 305.334 2.594 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](C)C1 ZINC000592459940 398428930 /nfs/dbraw/zinc/42/89/30/398428930.db2.gz QSUGJYRORKETNT-LBPRGKRZSA-N 1 0 324.356 2.682 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000088724353 398440867 /nfs/dbraw/zinc/44/08/67/398440867.db2.gz XGMGZFBKZCRPSN-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000592515447 398439199 /nfs/dbraw/zinc/43/91/99/398439199.db2.gz FUCOZDQMWMJDNQ-FEPLPGBKSA-N 1 0 318.373 2.739 20 5 DFBDRO C[C@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273070029 398449743 /nfs/dbraw/zinc/44/97/43/398449743.db2.gz OEPVGOVPINUHCA-SJORKVTESA-N 1 0 320.389 2.911 20 5 DFBDRO CCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596627174 398464374 /nfs/dbraw/zinc/46/43/74/398464374.db2.gz VXKWGTJIZVLTOB-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000089724171 398464481 /nfs/dbraw/zinc/46/44/81/398464481.db2.gz AXFFFWROKLWABJ-CJNGLKHVSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCCC2)CC1 ZINC000027118666 398459501 /nfs/dbraw/zinc/45/95/01/398459501.db2.gz UNCCKQPUAWIBQA-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083409842 192369304 /nfs/dbraw/zinc/36/93/04/192369304.db2.gz ORDPTHMAYOUGLQ-MRXNPFEDSA-N 1 0 320.389 2.755 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000028068164 398471112 /nfs/dbraw/zinc/47/11/12/398471112.db2.gz ZPZRLPGHYBUDQJ-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO C[NH+](C)CCc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000596647519 398471464 /nfs/dbraw/zinc/47/14/64/398471464.db2.gz OBBUVCDXCYGVEV-UHFFFAOYSA-N 1 0 314.385 2.901 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000587979825 398473262 /nfs/dbraw/zinc/47/32/62/398473262.db2.gz WXXOYKVDXVAKEK-JTQLQIEISA-N 1 0 321.406 2.886 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181695284 199339957 /nfs/dbraw/zinc/33/99/57/199339957.db2.gz JXKFBZRZCBOYJL-IMJJTQAJSA-N 1 0 320.389 2.897 20 5 DFBDRO CC1(C)C[C@H](NCC23CC(C2)C[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000596655683 398472995 /nfs/dbraw/zinc/47/29/95/398472995.db2.gz WVMAMQGEUPWDAT-XNYLIXPXSA-N 1 0 301.390 2.659 20 5 DFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccc([N+](=O)[O-])s2)C1 ZINC000588072499 398480169 /nfs/dbraw/zinc/48/01/69/398480169.db2.gz RKKSPULCHVTEFY-UHFFFAOYSA-N 1 0 303.387 2.977 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000588231724 398490575 /nfs/dbraw/zinc/49/05/75/398490575.db2.gz YDTJOUKRTJHRCD-NQBHXWOUSA-N 1 0 309.341 2.792 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000030276776 398499298 /nfs/dbraw/zinc/49/92/98/398499298.db2.gz SNIDMZKVSUNBEU-UHFFFAOYSA-N 1 0 303.318 2.648 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235076106 201911563 /nfs/dbraw/zinc/91/15/63/201911563.db2.gz NMPZEDWIXFGETA-QMMMGPOBSA-N 1 0 306.288 2.761 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCSCC2)cc1[N+](=O)[O-] ZINC000305100072 398504815 /nfs/dbraw/zinc/50/48/15/398504815.db2.gz ATPFPQVCOBDHJG-GFCCVEGCSA-N 1 0 310.419 2.812 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[NH2+]2)c(Br)cc1[N+](=O)[O-] ZINC000235899360 201921774 /nfs/dbraw/zinc/92/17/74/201921774.db2.gz MUTQCHZZRYUYRI-VIFPVBQESA-N 1 0 314.183 2.830 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000305797127 398507507 /nfs/dbraw/zinc/50/75/07/398507507.db2.gz VWLYKTAVOYJUKC-ZDUSSCGKSA-N 1 0 300.358 2.980 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000588815899 398509446 /nfs/dbraw/zinc/50/94/46/398509446.db2.gz FRYYXLXLTCSLDK-CYBMUJFWSA-N 1 0 305.378 2.764 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000596837440 398511105 /nfs/dbraw/zinc/51/11/05/398511105.db2.gz VFXSVAGYPAXHII-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000314026910 398517854 /nfs/dbraw/zinc/51/78/54/398517854.db2.gz XTCSXJAWIIFOOZ-LBPRGKRZSA-N 1 0 310.785 2.612 20 5 DFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000314337319 398519302 /nfs/dbraw/zinc/51/93/02/398519302.db2.gz MEKSXOYDIXQLIZ-NSHDSACASA-N 1 0 323.780 2.653 20 5 DFBDRO CC1(C)Cc2ccsc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000459572904 299137809 /nfs/dbraw/zinc/13/78/09/299137809.db2.gz AYUPVGIJWGHTRK-UHFFFAOYSA-N 1 0 306.391 2.690 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000091453506 398529351 /nfs/dbraw/zinc/52/93/51/398529351.db2.gz BZJNLCDWFCPEAW-GFCCVEGCSA-N 1 0 323.368 2.807 20 5 DFBDRO C[C@H](CSc1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593045455 398529460 /nfs/dbraw/zinc/52/94/60/398529460.db2.gz IYIVGBAKSQHYEU-CYBMUJFWSA-N 1 0 320.418 2.904 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091457700 398530476 /nfs/dbraw/zinc/53/04/76/398530476.db2.gz KAOMMTCCCUGOGP-GFCCVEGCSA-N 1 0 323.393 2.756 20 5 DFBDRO CN(C)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000589183710 398533725 /nfs/dbraw/zinc/53/37/25/398533725.db2.gz IZFZNBCUZLBURA-UHFFFAOYSA-N 1 0 314.389 2.730 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000414092165 295766484 /nfs/dbraw/zinc/76/64/84/295766484.db2.gz FCEUHUHZQDDSED-RYUDHWBXSA-N 1 0 305.378 2.948 20 5 DFBDRO CON1CCC([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000459588628 299142488 /nfs/dbraw/zinc/14/24/88/299142488.db2.gz OTMFATZJEVUXQJ-UHFFFAOYSA-N 1 0 313.785 2.706 20 5 DFBDRO O=C(CC[NH2+]C1(C2CCC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000593080321 398539826 /nfs/dbraw/zinc/53/98/26/398539826.db2.gz LXBVCJUZYUEXKR-UHFFFAOYSA-N 1 0 303.362 2.846 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000444769141 297250294 /nfs/dbraw/zinc/25/02/94/297250294.db2.gz WLGAZHHCHXVWBE-QGZVFWFLSA-N 1 0 322.405 2.991 20 5 DFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459605600 299146021 /nfs/dbraw/zinc/14/60/21/299146021.db2.gz DEARLJKPKHGSTN-FRFSOERESA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1NCCC[NH2+]Cc1cccnc1 ZINC000319554769 398542796 /nfs/dbraw/zinc/54/27/96/398542796.db2.gz PAYXPCMWUPZUJU-UHFFFAOYSA-N 1 0 321.768 2.630 20 5 DFBDRO CN(CC[NH+]1CCCCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593111148 398548356 /nfs/dbraw/zinc/54/83/56/398548356.db2.gz DPTHIXRQKDAVSF-UHFFFAOYSA-N 1 0 313.348 2.791 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000589374609 398549128 /nfs/dbraw/zinc/54/91/28/398549128.db2.gz FIWFJHJXWZWFCF-LBPRGKRZSA-N 1 0 320.393 2.715 20 5 DFBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593118981 398550401 /nfs/dbraw/zinc/55/04/01/398550401.db2.gz XTZPJJFBWRSRCQ-LBPRGKRZSA-N 1 0 318.352 2.592 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321591134 398553914 /nfs/dbraw/zinc/55/39/14/398553914.db2.gz JEZPBBQCCMYOMH-LSDHHAIUSA-N 1 0 318.377 2.733 20 5 DFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593127516 398553332 /nfs/dbraw/zinc/55/33/32/398553332.db2.gz XXYJJNQCUIXSPX-XFBWCDHKSA-N 1 0 318.373 2.787 20 5 DFBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593131826 398554509 /nfs/dbraw/zinc/55/45/09/398554509.db2.gz LHBNTCQQHSWPCU-UHFFFAOYSA-N 1 0 306.366 2.544 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000459626762 299151007 /nfs/dbraw/zinc/15/10/07/299151007.db2.gz CSQROTNHKDRAHE-BETUJISGSA-N 1 0 324.377 2.658 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000286968117 219249654 /nfs/dbraw/zinc/24/96/54/219249654.db2.gz PHKYXPRPJLJSCB-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)C[N@H+](C)C(C)C ZINC000589606222 398563365 /nfs/dbraw/zinc/56/33/65/398563365.db2.gz VLYCRGIUYYZCAR-GFCCVEGCSA-N 1 0 323.393 2.830 20 5 DFBDRO Cn1ncc(C2CC2)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597122596 398570313 /nfs/dbraw/zinc/57/03/13/398570313.db2.gz ZOMAZIGMTDKQOD-UHFFFAOYSA-N 1 0 314.389 2.880 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000279887534 215208764 /nfs/dbraw/zinc/20/87/64/215208764.db2.gz KONAPTHFPZZISF-OBJOEFQTSA-N 1 0 306.362 2.662 20 5 DFBDRO C[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H]1C[NH3+] ZINC000593233742 398576827 /nfs/dbraw/zinc/57/68/27/398576827.db2.gz WKLBGRUIAUOGPC-BDJLRTHQSA-N 1 0 300.362 2.707 20 5 DFBDRO CCCN(c1ccnc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[NH2+]C1 ZINC000593232782 398576881 /nfs/dbraw/zinc/57/68/81/398576881.db2.gz PUCOLYKIADBQTH-CYBMUJFWSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H]1C[NH3+] ZINC000593233744 398576942 /nfs/dbraw/zinc/57/69/42/398576942.db2.gz WKLBGRUIAUOGPC-MEDUHNTESA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589938122 398584158 /nfs/dbraw/zinc/58/41/58/398584158.db2.gz FFODGLIZPPYNOU-AAEUAGOBSA-N 1 0 318.295 2.839 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590012293 398590702 /nfs/dbraw/zinc/59/07/02/398590702.db2.gz QCYJYUDGLJXCTC-CJNGLKHVSA-N 1 0 319.405 2.518 20 5 DFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597218608 398593643 /nfs/dbraw/zinc/59/36/43/398593643.db2.gz PMURYZLMCPDAPD-BETUJISGSA-N 1 0 306.362 2.759 20 5 DFBDRO CCOc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685971 398594568 /nfs/dbraw/zinc/59/45/68/398594568.db2.gz RMUKOGNCSDJZCB-ZFWWWQNUSA-N 1 0 319.405 2.914 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590083194 398594263 /nfs/dbraw/zinc/59/42/63/398594263.db2.gz DXXOMLZKJFYPGV-RISCZKNCSA-N 1 0 300.362 2.895 20 5 DFBDRO C[NH2+]Cc1ccccc1CNCc1ccc([N+](=O)[O-])cc1F ZINC000593317423 398596560 /nfs/dbraw/zinc/59/65/60/398596560.db2.gz JZOVRXMIWCDZNI-UHFFFAOYSA-N 1 0 303.337 2.743 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000597242054 398603437 /nfs/dbraw/zinc/60/34/37/398603437.db2.gz UONQCTGTTQGHQC-BXUZGUMPSA-N 1 0 312.391 2.868 20 5 DFBDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554034 282678197 /nfs/dbraw/zinc/67/81/97/282678197.db2.gz RCSUJAQIPSIDQW-HUUCEWRRSA-N 1 0 321.421 2.951 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000072606198 398625180 /nfs/dbraw/zinc/62/51/80/398625180.db2.gz CYIMPIDSHOOYED-HNNXBMFYSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000043754740 398629792 /nfs/dbraw/zinc/62/97/92/398629792.db2.gz LHFOUHINJRDNIB-JSGCOSHPSA-N 1 0 310.394 2.701 20 5 DFBDRO CN(C)C(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152591958 186087934 /nfs/dbraw/zinc/08/79/34/186087934.db2.gz CPNMHMOWUBXTAK-OAHLLOKOSA-N 1 0 305.422 2.846 20 5 DFBDRO O=C(C[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000152640642 186092698 /nfs/dbraw/zinc/09/26/98/186092698.db2.gz LXIXAAXJECXHDD-GHMZBOCLSA-N 1 0 323.780 2.919 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152657066 186094220 /nfs/dbraw/zinc/09/42/20/186094220.db2.gz HRIQSBIGUUZOPP-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590569162 398632825 /nfs/dbraw/zinc/63/28/25/398632825.db2.gz NMNIPDYRMZXUJG-RISCZKNCSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155745644 186108811 /nfs/dbraw/zinc/10/88/11/186108811.db2.gz JBPMEEQAQNFSHZ-ZDUSSCGKSA-N 1 0 315.377 2.660 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590566443 398631648 /nfs/dbraw/zinc/63/16/48/398631648.db2.gz IWDOMIURKPABGA-IUODEOHRSA-N 1 0 319.405 2.883 20 5 DFBDRO Cc1noc(C)c1C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590595307 398636732 /nfs/dbraw/zinc/63/67/32/398636732.db2.gz ZSXMYCGXLVYZJB-NSHDSACASA-N 1 0 303.362 2.963 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000593466112 398637542 /nfs/dbraw/zinc/63/75/42/398637542.db2.gz VWTHZMVGBLORKV-AWEZNQCLSA-N 1 0 310.357 2.594 20 5 DFBDRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000072790061 398637917 /nfs/dbraw/zinc/63/79/17/398637917.db2.gz KMXTVBOHZOEGKF-UHFFFAOYSA-N 1 0 306.366 2.592 20 5 DFBDRO Cc1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093536809 398641460 /nfs/dbraw/zinc/64/14/60/398641460.db2.gz WAVCQYKZHPMQPH-BRWVUGGUSA-N 1 0 315.417 2.819 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000414656212 295812546 /nfs/dbraw/zinc/81/25/46/295812546.db2.gz IACWKUKAAMEDEB-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000459710990 299170283 /nfs/dbraw/zinc/17/02/83/299170283.db2.gz LQQCYSSRRLITFW-HNNXBMFYSA-N 1 0 308.378 2.994 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000188012794 186243490 /nfs/dbraw/zinc/24/34/90/186243490.db2.gz AJQUYXFEMMKTTO-JXMROGBWSA-N 1 0 317.389 2.551 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191848956 186263432 /nfs/dbraw/zinc/26/34/32/186263432.db2.gz OHWNHBUQWBZYGU-CQSZACIVSA-N 1 0 321.377 2.710 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000590658475 398646284 /nfs/dbraw/zinc/64/62/84/398646284.db2.gz QKZBVOQIIAHNCJ-YUELXQCFSA-N 1 0 320.389 2.847 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000094132598 398653378 /nfs/dbraw/zinc/65/33/78/398653378.db2.gz CGJHRHXBHFIJLK-UHFFFAOYSA-N 1 0 321.421 2.982 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000459739933 299177971 /nfs/dbraw/zinc/17/79/71/299177971.db2.gz BAOZWOMDKYDAPQ-HUUCEWRRSA-N 1 0 324.352 2.790 20 5 DFBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000171948589 198013058 /nfs/dbraw/zinc/01/30/58/198013058.db2.gz YIRKNZZAGAJCGZ-LBPRGKRZSA-N 1 0 323.393 2.910 20 5 DFBDRO COc1ccc(CNCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000414861638 295827458 /nfs/dbraw/zinc/82/74/58/295827458.db2.gz SNKVGXSJAXLRKS-UHFFFAOYSA-N 1 0 307.394 2.745 20 5 DFBDRO CCC[NH2+]CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414873581 295828785 /nfs/dbraw/zinc/82/87/85/295828785.db2.gz RIHDUVDVYNCGFB-UHFFFAOYSA-N 1 0 320.418 2.808 20 5 DFBDRO Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000045083358 398662423 /nfs/dbraw/zinc/66/24/23/398662423.db2.gz CFNZDZIXBGZHDF-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000280084457 215363395 /nfs/dbraw/zinc/36/33/95/215363395.db2.gz OBQXYWLLQOXIHQ-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO COC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182630791 290947337 /nfs/dbraw/zinc/94/73/37/290947337.db2.gz VNNXYMBZIZLHON-GFCCVEGCSA-N 1 0 306.362 2.849 20 5 DFBDRO O=[N+]([O-])c1cc(CNC[C@@H]2[NH2+]CCc3ccccc32)cs1 ZINC000414943071 295838127 /nfs/dbraw/zinc/83/81/27/295838127.db2.gz CMCLFVXILFRMFS-AWEZNQCLSA-N 1 0 303.387 2.633 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590776837 398672241 /nfs/dbraw/zinc/67/22/41/398672241.db2.gz JXNCOXWZUBSMHP-SUMWQHHRSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414958613 295840947 /nfs/dbraw/zinc/84/09/47/295840947.db2.gz PHCKONYQQQDYQF-SWLSCSKDSA-N 1 0 315.373 2.942 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000414955026 295840244 /nfs/dbraw/zinc/84/02/44/295840244.db2.gz MKCPBLJAJHHZRN-QGZVFWFLSA-N 1 0 315.348 2.711 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459777635 299189507 /nfs/dbraw/zinc/18/95/07/299189507.db2.gz LEKYHXSKPBVRSY-QNWHQSFQSA-N 1 0 303.362 2.700 20 5 DFBDRO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000172831460 198155750 /nfs/dbraw/zinc/15/57/50/198155750.db2.gz WPWPZOQXDOJBAA-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO O=C(CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000459781462 299190973 /nfs/dbraw/zinc/19/09/73/299190973.db2.gz NVRULENNKTWTEP-AGIUHOORSA-N 1 0 303.362 2.702 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000102515185 398678610 /nfs/dbraw/zinc/67/86/10/398678610.db2.gz CEYHOSNUZLJXSO-UHFFFAOYSA-N 1 0 322.361 2.521 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593724785 398677949 /nfs/dbraw/zinc/67/79/49/398677949.db2.gz ZQAVASRAIJCMMK-CJNGLKHVSA-N 1 0 319.405 2.894 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727672 398678006 /nfs/dbraw/zinc/67/80/06/398678006.db2.gz PRTZOMWHEIXTSH-UONOGXRCSA-N 1 0 319.405 2.512 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173159360 198190379 /nfs/dbraw/zinc/19/03/79/198190379.db2.gz DBSKVRPVPZYYLX-UHFFFAOYSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1O ZINC000072926619 191252832 /nfs/dbraw/zinc/25/28/32/191252832.db2.gz SPYWZKSHGKBRKJ-GOEBONIOSA-N 1 0 324.377 2.602 20 5 DFBDRO C[C@@H]([N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000045769570 398684060 /nfs/dbraw/zinc/68/40/60/398684060.db2.gz XYCXIOUVJNWSSW-GFCCVEGCSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072976066 191261402 /nfs/dbraw/zinc/26/14/02/191261402.db2.gz WIVWEWSIFDRFJR-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000459805680 299197082 /nfs/dbraw/zinc/19/70/82/299197082.db2.gz PUMQTKSHRIIWMZ-DOTOQJQBSA-N 1 0 322.405 2.893 20 5 DFBDRO COc1ccc(OCCN2Cc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000173704255 198242797 /nfs/dbraw/zinc/24/27/97/198242797.db2.gz JTDFDOXTYBQGOE-UHFFFAOYSA-N 1 0 314.341 2.998 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173881335 198263872 /nfs/dbraw/zinc/26/38/72/198263872.db2.gz JCXBTROHMRWUCV-HNNXBMFYSA-N 1 0 303.406 2.903 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000331997215 234367926 /nfs/dbraw/zinc/36/79/26/234367926.db2.gz BJIQZJXTVBCRQP-ZFWWWQNUSA-N 1 0 318.377 2.652 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000174126641 198294450 /nfs/dbraw/zinc/29/44/50/198294450.db2.gz XYWWIUJJIYHRNI-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000593882313 398699714 /nfs/dbraw/zinc/69/97/14/398699714.db2.gz HMNZIAPOQPQEFB-CQSZACIVSA-N 1 0 319.405 2.643 20 5 DFBDRO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000174183052 198302467 /nfs/dbraw/zinc/30/24/67/198302467.db2.gz JLLJVISPQBXJNA-GOOCMWNKSA-N 1 0 317.389 2.648 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597861391 398706197 /nfs/dbraw/zinc/70/61/97/398706197.db2.gz SZSGIIPWGLSTRL-NSHDSACASA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859324 398706327 /nfs/dbraw/zinc/70/63/27/398706327.db2.gz UONKGALSDGYRDO-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO CCN(CCn1cc([N+](=O)[O-])cn1)Cc1c(F)cccc1F ZINC000174840525 198392067 /nfs/dbraw/zinc/39/20/67/198392067.db2.gz UJWABKQVLJPRHC-UHFFFAOYSA-N 1 0 310.304 2.592 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1noc3ccccc13)CC2 ZINC000593969896 398710695 /nfs/dbraw/zinc/71/06/95/398710695.db2.gz FTFCWNWGVDLLLA-UHFFFAOYSA-N 1 0 324.340 2.732 20 5 DFBDRO Cc1cc(N[C@H](C)Cn2cncn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277079471 213280474 /nfs/dbraw/zinc/28/04/74/213280474.db2.gz JSDLSETXILHYEO-LLVKDONJSA-N 1 0 312.333 2.544 20 5 DFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC000176191966 198556620 /nfs/dbraw/zinc/55/66/20/198556620.db2.gz JMQJFKJLMPGLHS-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO COC1([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000591051816 398719620 /nfs/dbraw/zinc/71/96/20/398719620.db2.gz LZHKAAPXENHTPI-CYBMUJFWSA-N 1 0 308.378 2.911 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415297311 295875966 /nfs/dbraw/zinc/87/59/66/295875966.db2.gz NKWJEDLHVQZFIO-ZDUSSCGKSA-N 1 0 318.377 2.570 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415306877 295876326 /nfs/dbraw/zinc/87/63/26/295876326.db2.gz YPJAOISQHVEIKB-QWHCGFSZSA-N 1 0 320.393 2.803 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000594017188 398721690 /nfs/dbraw/zinc/72/16/90/398721690.db2.gz UCFHMBJLPYALOO-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924914 398721952 /nfs/dbraw/zinc/72/19/52/398721952.db2.gz UZMQFPNQLXAYNX-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000046868285 398723347 /nfs/dbraw/zinc/72/33/47/398723347.db2.gz APBGAVRRNPSLQS-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C ZINC000277015927 213241370 /nfs/dbraw/zinc/24/13/70/213241370.db2.gz YZDPOFQPEGONMB-LBPRGKRZSA-N 1 0 323.393 2.906 20 5 DFBDRO Cc1cc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000415421741 295882524 /nfs/dbraw/zinc/88/25/24/295882524.db2.gz VIKGKPZQUDFGIQ-CQSZACIVSA-N 1 0 320.393 2.932 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000415419946 295882670 /nfs/dbraw/zinc/88/26/70/295882670.db2.gz RSNMJQXGVUCLFH-DGCLKSJQSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415494941 295887889 /nfs/dbraw/zinc/88/78/89/295887889.db2.gz FMRLVUKWFWWFJN-BXUZGUMPSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415494944 295887943 /nfs/dbraw/zinc/88/79/43/295887943.db2.gz FMRLVUKWFWWFJN-FZMZJTMJSA-N 1 0 306.366 2.637 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415583702 295892010 /nfs/dbraw/zinc/89/20/10/295892010.db2.gz RGZXMVRUGNTTEV-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415585104 295892132 /nfs/dbraw/zinc/89/21/32/295892132.db2.gz ULLHOAMYSLEZHL-NEPJUHHUSA-N 1 0 306.366 2.603 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591149551 398732593 /nfs/dbraw/zinc/73/25/93/398732593.db2.gz GJXLGSHBLPBEGR-XHDPSFHLSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597993374 398735168 /nfs/dbraw/zinc/73/51/68/398735168.db2.gz SJYZJZGBCKIFLC-ZFWWWQNUSA-N 1 0 321.421 2.620 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597993371 398735217 /nfs/dbraw/zinc/73/52/17/398735217.db2.gz SJYZJZGBCKIFLC-DZGCQCFKSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047187785 398738734 /nfs/dbraw/zinc/73/87/34/398738734.db2.gz HMHNVRBFSGVWCK-CQSZACIVSA-N 1 0 319.405 2.837 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000591243862 398741665 /nfs/dbraw/zinc/74/16/65/398741665.db2.gz CZMHNXRZYCRJJG-HIFRSBDPSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591298992 398746179 /nfs/dbraw/zinc/74/61/79/398746179.db2.gz UTPJITSWFPZGSN-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO CCCC[N@H+](CC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132645033 283125396 /nfs/dbraw/zinc/12/53/96/283125396.db2.gz VZNOTLQMBVNCOV-HNNXBMFYSA-N 1 0 305.378 2.822 20 5 DFBDRO COc1ccccc1[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000591424728 398758611 /nfs/dbraw/zinc/75/86/11/398758611.db2.gz VJTZBVVZADADBO-ZDUSSCGKSA-N 1 0 317.345 2.724 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)cc1OC(F)F ZINC000591424166 398758795 /nfs/dbraw/zinc/75/87/95/398758795.db2.gz RVYBNCCFPWMVMV-UHFFFAOYSA-N 1 0 301.293 2.608 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000080160974 192008244 /nfs/dbraw/zinc/00/82/44/192008244.db2.gz YBWLKKDVZIHJRF-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000591437541 398760817 /nfs/dbraw/zinc/76/08/17/398760817.db2.gz KQSPPOMJSMARIR-GXSJLCMTSA-N 1 0 315.320 2.760 20 5 DFBDRO Cc1cc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074738717 398762909 /nfs/dbraw/zinc/76/29/09/398762909.db2.gz BZGYFKPGWVFYDV-STQMWFEESA-N 1 0 322.409 2.598 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591449316 398763136 /nfs/dbraw/zinc/76/31/36/398763136.db2.gz VCAKFOFEUOUGGX-XJKSGUPXSA-N 1 0 319.405 2.566 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000591443319 398762414 /nfs/dbraw/zinc/76/24/14/398762414.db2.gz ZNZZHBVFLKQTQO-HUUCEWRRSA-N 1 0 318.421 2.823 20 5 DFBDRO COc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591443332 398762415 /nfs/dbraw/zinc/76/24/15/398762415.db2.gz ZPOSKDWVYNZMKI-ZIAGYGMSSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287535744 219570290 /nfs/dbraw/zinc/57/02/90/219570290.db2.gz DUNODYPEXJJOIJ-WCQYABFASA-N 1 0 318.295 2.837 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000598265927 398780807 /nfs/dbraw/zinc/78/08/07/398780807.db2.gz WDDPGKBATXWMIW-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134482174 283188709 /nfs/dbraw/zinc/18/87/09/283188709.db2.gz WNMMUSKCIMWYDN-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO CC(C)C(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000591762917 398785672 /nfs/dbraw/zinc/78/56/72/398785672.db2.gz GSEFSFBTHBFAKK-CQSZACIVSA-N 1 0 324.421 2.852 20 5 DFBDRO CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000048965013 398789617 /nfs/dbraw/zinc/78/96/17/398789617.db2.gz CHFQQWDOFPAKOA-UHFFFAOYSA-N 1 0 311.382 2.628 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276934738 213186121 /nfs/dbraw/zinc/18/61/21/213186121.db2.gz RMZQJSXUUHSAIM-NSHDSACASA-N 1 0 304.350 2.578 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000237143638 202165397 /nfs/dbraw/zinc/16/53/97/202165397.db2.gz QSCNXLDMEGHYBM-OAHLLOKOSA-N 1 0 319.405 2.795 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000416288226 295938806 /nfs/dbraw/zinc/93/88/06/295938806.db2.gz GMGPVRDKJAWPRI-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO CC(C)(CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178162109 198824887 /nfs/dbraw/zinc/82/48/87/198824887.db2.gz GJEPXFKYCBBBSB-OAHLLOKOSA-N 1 0 306.406 2.914 20 5 DFBDRO CCOc1cc(C[NH+]2CCC([C@@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000276878587 213150324 /nfs/dbraw/zinc/15/03/24/213150324.db2.gz INDUTEKTCAUART-GFCCVEGCSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276834384 213122554 /nfs/dbraw/zinc/12/25/54/213122554.db2.gz BKAWUWUTAMTREW-HNNXBMFYSA-N 1 0 316.357 2.817 20 5 DFBDRO CCC[C@@H]([NH2+]CCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000178589029 198893316 /nfs/dbraw/zinc/89/33/16/198893316.db2.gz PIWYLUAFAOBOQC-OAHLLOKOSA-N 1 0 321.377 2.868 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000276829251 213118688 /nfs/dbraw/zinc/11/86/88/213118688.db2.gz BILVQQZRRSYAIK-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000594445761 398804948 /nfs/dbraw/zinc/80/49/48/398804948.db2.gz LLRFRXYJVXZBSD-WFASDCNBSA-N 1 0 305.378 2.552 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075505751 398807427 /nfs/dbraw/zinc/80/74/27/398807427.db2.gz HQUWTAHDONEHQR-ZDUSSCGKSA-N 1 0 323.418 2.747 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598465280 398817018 /nfs/dbraw/zinc/81/70/18/398817018.db2.gz KWUKYKNTJBAOOP-ZDUSSCGKSA-N 1 0 321.421 2.935 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000598465703 398817126 /nfs/dbraw/zinc/81/71/26/398817126.db2.gz JEBGDOOOVDTHSL-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO COCCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075747329 398820705 /nfs/dbraw/zinc/82/07/05/398820705.db2.gz APKVUWWSJOGRQG-CYBMUJFWSA-N 1 0 308.378 2.783 20 5 DFBDRO Nc1c(F)c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594597952 398827562 /nfs/dbraw/zinc/82/75/62/398827562.db2.gz FKGLEXUIXFLBEA-JQWIXIFHSA-N 1 0 308.357 2.745 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375737748 291127098 /nfs/dbraw/zinc/12/70/98/291127098.db2.gz FNYDPZOLZGKLSF-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000594594034 398826503 /nfs/dbraw/zinc/82/65/03/398826503.db2.gz ITTOZGBJAMVWBS-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000052159778 398833601 /nfs/dbraw/zinc/83/36/01/398833601.db2.gz QCTVPDNCHARQEP-LLVKDONJSA-N 1 0 323.422 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)s2)cc1 ZINC000179949996 199098036 /nfs/dbraw/zinc/09/80/36/199098036.db2.gz JTCRRRLOFMUHBK-CYBMUJFWSA-N 1 0 304.371 2.890 20 5 DFBDRO CC(=O)c1ccc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000052207182 398835567 /nfs/dbraw/zinc/83/55/67/398835567.db2.gz CEPUBLYLGFXKEM-GFCCVEGCSA-N 1 0 305.378 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000594650298 398837862 /nfs/dbraw/zinc/83/78/62/398837862.db2.gz HWZQUUGTKYNYIU-UHFFFAOYSA-N 1 0 315.377 2.657 20 5 DFBDRO CC(=O)c1ccc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052405772 398839832 /nfs/dbraw/zinc/83/98/32/398839832.db2.gz AMCLWJSJXFJBQP-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1ccnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000594696043 398844228 /nfs/dbraw/zinc/84/42/28/398844228.db2.gz IKTPYLSCIPLFAG-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180259849 199138126 /nfs/dbraw/zinc/13/81/26/199138126.db2.gz YTFKRUSXWCAWEO-CZUORRHYSA-N 1 0 308.378 2.831 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@@H]1CC1(F)F)OCCO2 ZINC000598648262 398847393 /nfs/dbraw/zinc/84/73/93/398847393.db2.gz PHQNNPLXIBAVRP-SNVBAGLBSA-N 1 0 314.288 2.501 20 5 DFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000052607524 398847861 /nfs/dbraw/zinc/84/78/61/398847861.db2.gz YMKBFTQPMMOKNN-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000598663977 398850386 /nfs/dbraw/zinc/85/03/86/398850386.db2.gz DMHIFIGGTNXOTK-KGLIPLIRSA-N 1 0 319.405 2.860 20 5 DFBDRO CC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000598663385 398850449 /nfs/dbraw/zinc/85/04/49/398850449.db2.gz BQPQNAMYWDKOES-CZUORRHYSA-N 1 0 319.405 2.942 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598678387 398854204 /nfs/dbraw/zinc/85/42/04/398854204.db2.gz XDZPKHYTUMYJCZ-WEJWTIOFSA-N 1 0 304.390 2.948 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180407238 199155096 /nfs/dbraw/zinc/15/50/96/199155096.db2.gz AEMKAKRCFLWXQY-LBPRGKRZSA-N 1 0 307.394 2.798 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180407256 199155345 /nfs/dbraw/zinc/15/53/45/199155345.db2.gz AEMKAKRCFLWXQY-GFCCVEGCSA-N 1 0 307.394 2.798 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153089512 283351612 /nfs/dbraw/zinc/35/16/12/283351612.db2.gz JKAORQWQLZNITB-LBPRGKRZSA-N 1 0 318.377 2.620 20 5 DFBDRO CC[C@H](COC)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594924514 398872619 /nfs/dbraw/zinc/87/26/19/398872619.db2.gz ZZXUETQNVRVZMK-CQSZACIVSA-N 1 0 318.377 2.510 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000076850402 398872699 /nfs/dbraw/zinc/87/26/99/398872699.db2.gz CUILVOPSYLQACV-NSHDSACASA-N 1 0 308.338 2.647 20 5 DFBDRO O=[N+]([O-])c1c(NCCC[NH+]2CCCCC2)nc2sccn21 ZINC000137661623 398876069 /nfs/dbraw/zinc/87/60/69/398876069.db2.gz YYYBMGCVHIGGRE-UHFFFAOYSA-N 1 0 309.395 2.592 20 5 DFBDRO Cc1c(C[NH2+]Cc2c(C3CC3)cnn2C)cccc1[N+](=O)[O-] ZINC000594938284 398877145 /nfs/dbraw/zinc/87/71/45/398877145.db2.gz LYMYGWXJWAINOP-UHFFFAOYSA-N 1 0 300.362 2.804 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000594964655 398883286 /nfs/dbraw/zinc/88/32/86/398883286.db2.gz LTBAJFHAEVRPRT-ARFHVFGLSA-N 1 0 322.405 2.559 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594985894 398887365 /nfs/dbraw/zinc/88/73/65/398887365.db2.gz CGHPWEXTDNUAGK-YHTPHNNESA-N 1 0 302.374 2.891 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594984785 398886232 /nfs/dbraw/zinc/88/62/32/398886232.db2.gz OEJDVZMCXGIVCE-SCAQPMJSSA-N 1 0 312.373 2.883 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594993800 398888035 /nfs/dbraw/zinc/88/80/35/398888035.db2.gz QSXUUTAEGBJPTI-AWEZNQCLSA-N 1 0 319.405 2.640 20 5 DFBDRO NC(=O)CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000594999526 398888818 /nfs/dbraw/zinc/88/88/18/398888818.db2.gz BCWXJWBNDHYSSD-UHFFFAOYSA-N 1 0 305.378 2.510 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000595002963 398889324 /nfs/dbraw/zinc/88/93/24/398889324.db2.gz AAFUXFMNZCBGHW-LBPRGKRZSA-N 1 0 319.405 2.881 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000468739896 299281351 /nfs/dbraw/zinc/28/13/51/299281351.db2.gz SLNDKNNAEMSKDL-WASHYIJTSA-N 1 0 312.373 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000595012860 398892005 /nfs/dbraw/zinc/89/20/05/398892005.db2.gz PIXJLUKBNKNVOM-VXGBXAGGSA-N 1 0 307.394 2.737 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051201064 425882937 /nfs/dbraw/zinc/88/29/37/425882937.db2.gz ORGZOQSFRWVNFN-AWEZNQCLSA-N 1 0 306.362 2.678 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000598915492 398892740 /nfs/dbraw/zinc/89/27/40/398892740.db2.gz MYJARCWMTYGTIK-DOMZBBRYSA-N 1 0 318.377 2.591 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598915731 398892786 /nfs/dbraw/zinc/89/27/86/398892786.db2.gz NMGDHNYBCFNFKL-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000598917060 398892932 /nfs/dbraw/zinc/89/29/32/398892932.db2.gz UGEZLEIVVMTVQM-JTQLQIEISA-N 1 0 322.340 2.530 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC2(CC[NH2+]2)CC1 ZINC000598915811 398892993 /nfs/dbraw/zinc/89/29/93/398892993.db2.gz PPWHAZXYWROYGR-UHFFFAOYSA-N 1 0 324.768 2.608 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598916492 398893006 /nfs/dbraw/zinc/89/30/06/398893006.db2.gz ZVMKBAFQSZXJMC-BDAKNGLRSA-N 1 0 312.757 2.510 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142231089 398897939 /nfs/dbraw/zinc/89/79/39/398897939.db2.gz GBMMBDNEEMLFNV-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595058447 398898808 /nfs/dbraw/zinc/89/88/08/398898808.db2.gz BOTGOWXFXZAMKM-RXKRBEDVSA-N 1 0 310.419 2.935 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595058988 398899470 /nfs/dbraw/zinc/89/94/70/398899470.db2.gz DXFCQMPAFLSAHS-IAOVAPTHSA-N 1 0 320.389 2.613 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccoc1 ZINC000595079355 398902830 /nfs/dbraw/zinc/90/28/30/398902830.db2.gz WQNIQGJQSNAFQP-GFCCVEGCSA-N 1 0 317.345 2.737 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595087925 398903237 /nfs/dbraw/zinc/90/32/37/398903237.db2.gz GBCFSTOCABSRRZ-DOMZBBRYSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1ccc(CN(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000186944415 200035217 /nfs/dbraw/zinc/03/52/17/200035217.db2.gz OTXMGNBTNWTTJL-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO COC(=O)[C@]1(C)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470182871 299293680 /nfs/dbraw/zinc/29/36/80/299293680.db2.gz OCPHWEHCRUBRIM-JZUUQJBKSA-N 1 0 318.373 2.883 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000598998075 398905643 /nfs/dbraw/zinc/90/56/43/398905643.db2.gz LXAQTTPCQDUKLN-HNNXBMFYSA-N 1 0 307.369 2.840 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595105192 398906054 /nfs/dbraw/zinc/90/60/54/398906054.db2.gz RBMDSUKPOJQNDW-OLZOCXBDSA-N 1 0 319.405 2.892 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN(C)CC(F)F ZINC000599024014 398909832 /nfs/dbraw/zinc/90/98/32/398909832.db2.gz XIPJJGSYPSEHGL-XYOKQWHBSA-N 1 0 313.348 2.785 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225775 398911686 /nfs/dbraw/zinc/91/16/86/398911686.db2.gz OGZFOGZPEAATLR-NEPJUHHUSA-N 1 0 323.418 2.651 20 5 DFBDRO C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000595229127 398911790 /nfs/dbraw/zinc/91/17/90/398911790.db2.gz SEKXKTIHIOUCTP-RISCZKNCSA-N 1 0 319.405 2.702 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225779 398911823 /nfs/dbraw/zinc/91/18/23/398911823.db2.gz OGZFOGZPEAATLR-RYUDHWBXSA-N 1 0 323.418 2.651 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595268213 398914799 /nfs/dbraw/zinc/91/47/99/398914799.db2.gz DTKPUPWGJDQWGK-LBPRGKRZSA-N 1 0 320.393 2.535 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)cn1 ZINC000595288636 398916088 /nfs/dbraw/zinc/91/60/88/398916088.db2.gz QOODHWYKOAZCHM-QLFBSQMISA-N 1 0 316.405 2.548 20 5 DFBDRO Cc1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237576911 202290735 /nfs/dbraw/zinc/29/07/35/202290735.db2.gz KHZNFUCMFNOGLT-LBPRGKRZSA-N 1 0 305.378 2.868 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@@H]1CCOC1 ZINC000595296074 398917863 /nfs/dbraw/zinc/91/78/63/398917863.db2.gz XDFBIWPONCOIJF-WBVHZDCISA-N 1 0 322.405 2.857 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc[nH]c1=O ZINC000599082459 398917870 /nfs/dbraw/zinc/91/78/70/398917870.db2.gz CMAYTUMHDYTXAU-GFCCVEGCSA-N 1 0 301.346 2.806 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000599083520 398918789 /nfs/dbraw/zinc/91/87/89/398918789.db2.gz YFXGBYNJDMEUPB-UNRBTCAZSA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CCCF)CC1 ZINC000599094321 398920653 /nfs/dbraw/zinc/92/06/53/398920653.db2.gz UASMTNPCNBKMPJ-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000188689987 200288965 /nfs/dbraw/zinc/28/89/65/200288965.db2.gz MCUTYORGOUBGAH-GFCCVEGCSA-N 1 0 323.393 2.717 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599125685 398925320 /nfs/dbraw/zinc/92/53/20/398925320.db2.gz AHASCIBFGBDQAK-AWEZNQCLSA-N 1 0 321.425 2.939 20 5 DFBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000471751538 299302470 /nfs/dbraw/zinc/30/24/70/299302470.db2.gz ZXVIBOSDYHLZSA-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1cccn1)CCCC2 ZINC000417308216 296008698 /nfs/dbraw/zinc/00/86/98/296008698.db2.gz HQKOZIZWENENFB-INIZCTEOSA-N 1 0 300.362 2.849 20 5 DFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189084455 200346165 /nfs/dbraw/zinc/34/61/65/200346165.db2.gz BBZAREJVNTYMEV-CYBMUJFWSA-N 1 0 319.405 2.790 20 5 DFBDRO Cc1noc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417304614 296008545 /nfs/dbraw/zinc/00/85/45/296008545.db2.gz CIAGVXPHDHYLMO-HNNXBMFYSA-N 1 0 316.361 2.886 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381077 398930309 /nfs/dbraw/zinc/93/03/09/398930309.db2.gz ITUPSLHMGZAIDX-GJZGRUSLSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1ccoc1CN(C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000292392782 223045773 /nfs/dbraw/zinc/04/57/73/223045773.db2.gz SKVBPHGNGFXCHB-LBPRGKRZSA-N 1 0 317.345 2.955 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281166697 216125937 /nfs/dbraw/zinc/12/59/37/216125937.db2.gz POHSMGVDGYFIRZ-PBHICJAKSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342989 296012025 /nfs/dbraw/zinc/01/20/25/296012025.db2.gz NPDLBISHEFFQDS-OGXQQIFESA-N 1 0 310.419 2.719 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]C[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417343873 296012127 /nfs/dbraw/zinc/01/21/27/296012127.db2.gz VCXWOEUFVPUMIP-DZGCQCFKSA-N 1 0 312.373 2.807 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417343874 296012197 /nfs/dbraw/zinc/01/21/97/296012197.db2.gz VCXWOEUFVPUMIP-HIFRSBDPSA-N 1 0 312.373 2.807 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1ccnn1)CCCC2 ZINC000417347352 296012419 /nfs/dbraw/zinc/01/24/19/296012419.db2.gz VWNTZJUCRKIQNF-MRXNPFEDSA-N 1 0 315.377 2.634 20 5 DFBDRO C[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000417357982 296013397 /nfs/dbraw/zinc/01/33/97/296013397.db2.gz HIBLPWGJACXATL-DOTOQJQBSA-N 1 0 317.389 2.621 20 5 DFBDRO COC[C@](C)(O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351197 296012737 /nfs/dbraw/zinc/01/27/37/296012737.db2.gz RHLYQTWQUBUVJL-IAGOWNOFSA-N 1 0 322.405 2.739 20 5 DFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCc2nccn2C1 ZINC000595444110 398940048 /nfs/dbraw/zinc/94/00/48/398940048.db2.gz KZGCBZZUKFYMDY-LBPRGKRZSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1[N+](=O)[O-] ZINC000595470521 398945359 /nfs/dbraw/zinc/94/53/59/398945359.db2.gz ONNWDGHFNOETBX-CABNGKKXSA-N 1 0 323.393 2.653 20 5 DFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000595507154 398953104 /nfs/dbraw/zinc/95/31/04/398953104.db2.gz KPMQCMCPQLQWHR-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO Cc1ccc(NC(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281302491 216223813 /nfs/dbraw/zinc/22/38/13/216223813.db2.gz HWJHRQIXTZZJIJ-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595508193 398953541 /nfs/dbraw/zinc/95/35/41/398953541.db2.gz VFETWPJUURUWHF-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO CC[C@@H]([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599352296 398958318 /nfs/dbraw/zinc/95/83/18/398958318.db2.gz AMSFONPVGRFPBW-MRXNPFEDSA-N 1 0 308.378 2.831 20 5 DFBDRO Cc1noc(C[NH2+][C@@H](C)CCCc2cccnc2)c1[N+](=O)[O-] ZINC000595540250 398962052 /nfs/dbraw/zinc/96/20/52/398962052.db2.gz PGRUFPPPUQUTIC-NSHDSACASA-N 1 0 304.350 2.787 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000613390667 398968721 /nfs/dbraw/zinc/96/87/21/398968721.db2.gz WVMIKDCAEQYELA-WBMJQRKESA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1cnn(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192969101 200970074 /nfs/dbraw/zinc/97/00/74/200970074.db2.gz GPYWLTIKXUJRCT-MRXNPFEDSA-N 1 0 300.362 2.767 20 5 DFBDRO CC(C)[N@H+](CCCN1CCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000193478649 201058734 /nfs/dbraw/zinc/05/87/34/201058734.db2.gz RYXBBBLLBMTTIX-UHFFFAOYSA-N 1 0 321.421 2.528 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000193451562 283666490 /nfs/dbraw/zinc/66/64/90/283666490.db2.gz WYPBBQYUPQJNJZ-CQSZACIVSA-N 1 0 304.394 2.632 20 5 DFBDRO Cc1cc(NC(=O)NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000193667836 201099141 /nfs/dbraw/zinc/09/91/41/201099141.db2.gz QJLCRGYWZJGNEJ-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000193681776 201103298 /nfs/dbraw/zinc/10/32/98/201103298.db2.gz CYSGGTKCQVHTJM-LLVKDONJSA-N 1 0 321.333 2.504 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194724032 201279780 /nfs/dbraw/zinc/27/97/80/201279780.db2.gz GOXUUHSHJGSBCB-RYUDHWBXSA-N 1 0 314.345 2.668 20 5 DFBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000195508051 201396624 /nfs/dbraw/zinc/39/66/24/201396624.db2.gz TUDSUKLRFCXJMM-LLVKDONJSA-N 1 0 318.402 2.910 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595631423 399010328 /nfs/dbraw/zinc/01/03/28/399010328.db2.gz ICCIOGMZQCMUAG-BMFZPTHFSA-N 1 0 322.405 2.559 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+]3CC[C@H]4CC[C@@H](C3)S4)nc2c1 ZINC000599552470 399012304 /nfs/dbraw/zinc/01/23/04/399012304.db2.gz DDRSDHDEEDQZPP-NEPJUHHUSA-N 1 0 318.402 2.941 20 5 DFBDRO CCn1cncc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000417980788 296068900 /nfs/dbraw/zinc/06/89/00/296068900.db2.gz JGTXRLLFRSQMNA-UHFFFAOYSA-N 1 0 308.769 2.797 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595642100 399015816 /nfs/dbraw/zinc/01/58/16/399015816.db2.gz NYGCNANNNBBKJA-LBPRGKRZSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599601479 399027154 /nfs/dbraw/zinc/02/71/54/399027154.db2.gz VHDQOWJFSFWDST-ZDUSSCGKSA-N 1 0 318.377 2.618 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626505 399033203 /nfs/dbraw/zinc/03/32/03/399033203.db2.gz XCGAWUAHVHAKHI-YWDSYVAPSA-N 1 0 308.378 2.895 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626502 399033367 /nfs/dbraw/zinc/03/33/67/399033367.db2.gz XCGAWUAHVHAKHI-BUWBCJGYSA-N 1 0 308.378 2.895 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000171108855 399035036 /nfs/dbraw/zinc/03/50/36/399035036.db2.gz SIYAZQGBAYVUIO-UHFFFAOYSA-N 1 0 322.409 2.540 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673032 193088805 /nfs/dbraw/zinc/08/88/05/193088805.db2.gz ZWRAAFGVBNHGDW-VXGBXAGGSA-N 1 0 311.769 2.523 20 5 DFBDRO Cc1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043255 193145681 /nfs/dbraw/zinc/14/56/81/193145681.db2.gz LLZYSDMWHPURHL-CVEARBPZSA-N 1 0 303.406 2.819 20 5 DFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533748 291363062 /nfs/dbraw/zinc/36/30/62/291363062.db2.gz VKDIVQYTNQNOKR-CHWSQXEVSA-N 1 0 306.362 2.849 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CCCF)CC1 ZINC000599671195 399055149 /nfs/dbraw/zinc/05/51/49/399055149.db2.gz OINIZOSHWKQZHQ-AWEZNQCLSA-N 1 0 309.385 2.941 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000079550617 399057340 /nfs/dbraw/zinc/05/73/40/399057340.db2.gz NUWZPMJFEYDLDJ-ZIAGYGMSSA-N 1 0 318.377 2.652 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600469277 399058848 /nfs/dbraw/zinc/05/88/48/399058848.db2.gz IWKKRHQMLGLVPX-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000171842906 399060040 /nfs/dbraw/zinc/06/00/40/399060040.db2.gz KOROROCWWRCDBN-AWEZNQCLSA-N 1 0 318.320 2.693 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000171829552 399059813 /nfs/dbraw/zinc/05/98/13/399059813.db2.gz CWEFSJOCEKLCMX-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000057877731 399068645 /nfs/dbraw/zinc/06/86/45/399068645.db2.gz IWODVSRRZBNBRO-UHFFFAOYSA-N 1 0 300.362 2.924 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760159 399074584 /nfs/dbraw/zinc/07/45/84/399074584.db2.gz SGPFYBJBYZEYQI-PBHICJAKSA-N 1 0 320.389 2.850 20 5 DFBDRO CC[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000595764416 399075842 /nfs/dbraw/zinc/07/58/42/399075842.db2.gz BFFYZJMWTWDCDG-ZDUSSCGKSA-N 1 0 321.377 2.710 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000595767812 399077108 /nfs/dbraw/zinc/07/71/08/399077108.db2.gz DBNJZJKIHIFHHP-ZBFHGGJFSA-N 1 0 314.389 2.829 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418688260 296109926 /nfs/dbraw/zinc/10/99/26/296109926.db2.gz MWBOBNWXLVRZHE-ZDUSSCGKSA-N 1 0 322.409 2.642 20 5 DFBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000595777033 399081295 /nfs/dbraw/zinc/08/12/95/399081295.db2.gz FFCSDXPHYUHCSC-ZIAGYGMSSA-N 1 0 322.409 2.507 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595777939 399081694 /nfs/dbraw/zinc/08/16/94/399081694.db2.gz MIFDZMMSHZGOOP-HZPDHXFCSA-N 1 0 320.389 2.775 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595777940 399081759 /nfs/dbraw/zinc/08/17/59/399081759.db2.gz MIFDZMMSHZGOOP-JKSUJKDBSA-N 1 0 320.389 2.775 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000419007769 296123618 /nfs/dbraw/zinc/12/36/18/296123618.db2.gz KHHOAYWWLKIERM-UHFFFAOYSA-N 1 0 301.293 2.702 20 5 DFBDRO O=C1CCCC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000595808834 399093275 /nfs/dbraw/zinc/09/32/75/399093275.db2.gz XSIRPRPVKNTGNA-UHFFFAOYSA-N 1 0 318.373 2.809 20 5 DFBDRO COC(=O)c1cc(NCC[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000079914708 399097395 /nfs/dbraw/zinc/09/73/95/399097395.db2.gz RILRDKZVNQHVRG-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261843398 203130472 /nfs/dbraw/zinc/13/04/72/203130472.db2.gz VCEMETAHJGWSPO-GOEBONIOSA-N 1 0 319.405 2.849 20 5 DFBDRO COCCCC[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000419387433 296138883 /nfs/dbraw/zinc/13/88/83/296138883.db2.gz JORALWNQGZJTFB-UHFFFAOYSA-N 1 0 320.349 2.503 20 5 DFBDRO C[C@@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000262186187 203224234 /nfs/dbraw/zinc/22/42/34/203224234.db2.gz LNVZJDRNLLWZFB-HACGYAERSA-N 1 0 317.389 2.552 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340296375 284170262 /nfs/dbraw/zinc/17/02/62/284170262.db2.gz VGAREIAZKOPULA-ZDUSSCGKSA-N 1 0 321.421 2.719 20 5 DFBDRO CC[NH+](CC)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000093900033 193326604 /nfs/dbraw/zinc/32/66/04/193326604.db2.gz KNQVEYKBDWTFCC-UHFFFAOYSA-N 1 0 307.394 2.592 20 5 DFBDRO Cc1cc(N2CC[C@@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420172474 296160362 /nfs/dbraw/zinc/16/03/62/296160362.db2.gz PRBXBNMRKHHLTQ-VIFPVBQESA-N 1 0 303.284 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000600759381 399137740 /nfs/dbraw/zinc/13/77/40/399137740.db2.gz CYAGRNIOUNRCSL-ZBFHGGJFSA-N 1 0 320.389 2.671 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000340945441 284222416 /nfs/dbraw/zinc/22/24/16/284222416.db2.gz GBNCFFBBMSFDLI-AAEUAGOBSA-N 1 0 304.350 2.546 20 5 DFBDRO O=[N+]([O-])c1ccccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000264199728 203762300 /nfs/dbraw/zinc/76/23/00/203762300.db2.gz DMKHDSAYDUWHMD-UHFFFAOYSA-N 1 0 305.378 2.652 20 5 DFBDRO Cc1cc(N2CC[NH2+][C@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420184689 296160972 /nfs/dbraw/zinc/16/09/72/296160972.db2.gz AZVOFZDQOXEOIS-SECBINFHSA-N 1 0 303.284 2.720 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420185558 296161091 /nfs/dbraw/zinc/16/10/91/296161091.db2.gz KZIUJPIZXACANH-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936453 399139430 /nfs/dbraw/zinc/13/94/30/399139430.db2.gz ZIZLLTRCRQZWHV-GFCCVEGCSA-N 1 0 323.418 2.508 20 5 DFBDRO CN(CC(C)(C)[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000595945832 399140659 /nfs/dbraw/zinc/14/06/59/399140659.db2.gz OUOFEJFOVSJOCX-UHFFFAOYSA-N 1 0 307.375 2.619 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420192016 296161394 /nfs/dbraw/zinc/16/13/94/296161394.db2.gz RYTKERNSHLYVCX-NXEZZACHSA-N 1 0 315.320 2.760 20 5 DFBDRO C[NH2+]CC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000420189665 296161409 /nfs/dbraw/zinc/16/14/09/296161409.db2.gz OEERLBKGUVJIKM-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCC1 ZINC000595948187 399141205 /nfs/dbraw/zinc/14/12/05/399141205.db2.gz BJWIGJPWKHVYKQ-UHFFFAOYSA-N 1 0 323.418 2.708 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420192019 296161547 /nfs/dbraw/zinc/16/15/47/296161547.db2.gz RYTKERNSHLYVCX-UWVGGRQHSA-N 1 0 315.320 2.760 20 5 DFBDRO CCCN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000420220870 296163348 /nfs/dbraw/zinc/16/33/48/296163348.db2.gz PVTKINMUAMSCAG-NSHDSACASA-N 1 0 315.320 2.775 20 5 DFBDRO CC[NH2+]CC1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000420211948 296162605 /nfs/dbraw/zinc/16/26/05/296162605.db2.gz OSXWYCGXQJJVKA-UHFFFAOYSA-N 1 0 305.378 2.623 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC4(C3)CC[NH2+]CC4)ccc2c1 ZINC000420223934 296163410 /nfs/dbraw/zinc/16/34/10/296163410.db2.gz DHTXOYJWDXTIEG-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420228388 296163997 /nfs/dbraw/zinc/16/39/97/296163997.db2.gz FCORGRMDLKBUKF-CYBMUJFWSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCC[NH2+]C1 ZINC000420225949 296163582 /nfs/dbraw/zinc/16/35/82/296163582.db2.gz FTUNFSCULBZLAE-CQSZACIVSA-N 1 0 315.320 2.998 20 5 DFBDRO CC1(CNc2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]CC1 ZINC000420224890 296163656 /nfs/dbraw/zinc/16/36/56/296163656.db2.gz BVYGZBUMZYWSBQ-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420226624 296163683 /nfs/dbraw/zinc/16/36/83/296163683.db2.gz ANPXLCUVZGXHEQ-TZMCWYRMSA-N 1 0 312.373 2.830 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420234929 296164382 /nfs/dbraw/zinc/16/43/82/296164382.db2.gz HWBAMWBFPVDFBC-RKDXNWHRSA-N 1 0 301.293 2.878 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420234919 296164543 /nfs/dbraw/zinc/16/45/43/296164543.db2.gz HWBAMWBFPVDFBC-BDAKNGLRSA-N 1 0 301.293 2.878 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420249229 296165597 /nfs/dbraw/zinc/16/55/97/296165597.db2.gz XWTBPRRIGURNQI-HNNXBMFYSA-N 1 0 307.394 2.931 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)n1 ZINC000420246235 296165375 /nfs/dbraw/zinc/16/53/75/296165375.db2.gz SAZQQASUOHWLJL-LSDHHAIUSA-N 1 0 312.373 2.538 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577415 204007231 /nfs/dbraw/zinc/00/72/31/204007231.db2.gz BCOGCQZREQQYCE-CHWSQXEVSA-N 1 0 318.295 2.525 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264619720 204033680 /nfs/dbraw/zinc/03/36/80/204033680.db2.gz RJNINVGWGOQTTP-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000080464143 399150259 /nfs/dbraw/zinc/15/02/59/399150259.db2.gz USWGALZWUTVBLN-GXTWGEPZSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420269780 296167774 /nfs/dbraw/zinc/16/77/74/296167774.db2.gz BIGWYKUUFWVCHM-OLZOCXBDSA-N 1 0 314.389 2.803 20 5 DFBDRO COc1cc(NC[C@H]2CC[C@H](C[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000420270498 296168017 /nfs/dbraw/zinc/16/80/17/296168017.db2.gz ZCTVJECTJXAGNN-XYPYZODXSA-N 1 0 311.357 2.920 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@]1(C)C[NH3+] ZINC000420275370 296168468 /nfs/dbraw/zinc/16/84/68/296168468.db2.gz FYILSEQEMASXJY-YMTOWFKASA-N 1 0 315.320 2.617 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264872846 204225676 /nfs/dbraw/zinc/22/56/76/204225676.db2.gz BBAARQFNKCESEA-GFCCVEGCSA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420290225 296169750 /nfs/dbraw/zinc/16/97/50/296169750.db2.gz VHPKRFHDUOEHAP-DGCLKSJQSA-N 1 0 300.362 2.564 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000264935808 204283099 /nfs/dbraw/zinc/28/30/99/204283099.db2.gz UIIFGPWEEDRWSP-UHFFFAOYSA-N 1 0 311.357 2.586 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000265012796 204341746 /nfs/dbraw/zinc/34/17/46/204341746.db2.gz XHEAFGGTPBOFIB-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1OCc1cccc2c1CC[NH2+]C2 ZINC000596070621 399162585 /nfs/dbraw/zinc/16/25/85/399162585.db2.gz GZDPYHSXJYDIOA-UHFFFAOYSA-N 1 0 319.748 2.868 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000274895235 212016912 /nfs/dbraw/zinc/01/69/12/212016912.db2.gz FOSXLJRALWNSPJ-UOJCXKCYSA-N 1 0 322.405 2.698 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596076029 399164489 /nfs/dbraw/zinc/16/44/89/399164489.db2.gz ASDUYTWOGXPJCY-STQMWFEESA-N 1 0 322.409 2.865 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596077358 399164279 /nfs/dbraw/zinc/16/42/79/399164279.db2.gz UVYAMIAEKAGGGN-GFCCVEGCSA-N 1 0 308.382 2.762 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271729406 209164692 /nfs/dbraw/zinc/16/46/92/209164692.db2.gz OSUAGLHMWSQKEM-WFASDCNBSA-N 1 0 306.362 2.931 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091521 399169606 /nfs/dbraw/zinc/16/96/06/399169606.db2.gz MBFSTEBKJYQWAB-VIFPVBQESA-N 1 0 311.769 2.905 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C[NH3+])C(C)(C)C ZINC000420352960 296178736 /nfs/dbraw/zinc/17/87/36/296178736.db2.gz BCIGZEZWUVOXSB-OAHLLOKOSA-N 1 0 309.410 2.845 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]CC1(C)C ZINC000420361349 296179952 /nfs/dbraw/zinc/17/99/52/296179952.db2.gz MDKOLCKJIBOCCI-INIZCTEOSA-N 1 0 321.421 2.860 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCOCCF ZINC000596095512 399172071 /nfs/dbraw/zinc/17/20/71/399172071.db2.gz QDXZULDPEIOKTB-UKRRQHHQSA-N 1 0 310.369 2.882 20 5 DFBDRO O=C1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C2(CCC2)N1 ZINC000282593334 217111964 /nfs/dbraw/zinc/11/19/64/217111964.db2.gz CKRDRTJZSMZLSI-ZDUSSCGKSA-N 1 0 323.780 2.539 20 5 DFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C2(CCC2)N1 ZINC000282593332 217112372 /nfs/dbraw/zinc/11/23/72/217112372.db2.gz CKRDRTJZSMZLSI-CYBMUJFWSA-N 1 0 323.780 2.539 20 5 DFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596105537 399175120 /nfs/dbraw/zinc/17/51/20/399175120.db2.gz UOVLDOOFNVZVQS-LLVKDONJSA-N 1 0 308.382 2.618 20 5 DFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282679245 217170533 /nfs/dbraw/zinc/17/05/33/217170533.db2.gz KCTUQUKFBQQFGN-ZDUSSCGKSA-N 1 0 323.780 2.539 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000600939808 399182155 /nfs/dbraw/zinc/18/21/55/399182155.db2.gz JFKDMWASNPHZNN-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1cc(N2CCC(OCC[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596125984 399182489 /nfs/dbraw/zinc/18/24/89/399182489.db2.gz SFCGQQQPULXFSO-UHFFFAOYSA-N 1 0 313.423 2.512 20 5 DFBDRO Cc1ccc([C@@H](O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000266036083 205046989 /nfs/dbraw/zinc/04/69/89/205046989.db2.gz SSADMRNWZVIBKQ-DRDHIDPGSA-N 1 0 302.330 2.833 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000600950594 399184420 /nfs/dbraw/zinc/18/44/20/399184420.db2.gz MGVIVWDGOYZDGY-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000342479306 284342215 /nfs/dbraw/zinc/34/22/15/284342215.db2.gz LJSWATNSIFXKFH-ORVZXPRGSA-N 1 0 318.421 2.986 20 5 DFBDRO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[NH2+]1 ZINC000600955847 399186536 /nfs/dbraw/zinc/18/65/36/399186536.db2.gz SGEHGORTWIGIGL-WCBMZHEXSA-N 1 0 301.293 2.749 20 5 DFBDRO [NH3+]C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600951749 399185085 /nfs/dbraw/zinc/18/50/85/399185085.db2.gz MTUFMBJIVDDGDU-WCBMZHEXSA-N 1 0 321.274 2.697 20 5 DFBDRO CCC(=O)c1ccc(N[C@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000600952136 399185735 /nfs/dbraw/zinc/18/57/35/399185735.db2.gz WXVDLWSYUOONDE-HNNXBMFYSA-N 1 0 303.362 2.884 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1c3ccccc3ncc1[N+](=O)[O-])C2 ZINC000600955758 399186323 /nfs/dbraw/zinc/18/63/23/399186323.db2.gz HLKQSYZUWCQSHI-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO Cc1ccnc(NCC[C@@H]([NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000600960579 399188599 /nfs/dbraw/zinc/18/85/99/399188599.db2.gz FWGFGLNSAXFFFX-CQSZACIVSA-N 1 0 300.362 2.670 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1C[NH3+] ZINC000600962080 399188692 /nfs/dbraw/zinc/18/86/92/399188692.db2.gz UXRPWVZMAUKTRW-CMPLNLGQSA-N 1 0 318.402 2.749 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600960977 399188728 /nfs/dbraw/zinc/18/87/28/399188728.db2.gz KITMFKLSZLXISK-DTWKUNHWSA-N 1 0 303.284 2.645 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000266117503 205111187 /nfs/dbraw/zinc/11/11/87/205111187.db2.gz IIVWXQJJFKTFBB-LBPRGKRZSA-N 1 0 311.407 2.603 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600964840 399189111 /nfs/dbraw/zinc/18/91/11/399189111.db2.gz SXSVFUANFPZIPG-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000600958221 399187466 /nfs/dbraw/zinc/18/74/66/399187466.db2.gz DAUKYQYPGZLSOK-CYBMUJFWSA-N 1 0 304.394 2.576 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000600966939 399190433 /nfs/dbraw/zinc/19/04/33/399190433.db2.gz WRILOJMEPQOZNA-CMPLNLGQSA-N 1 0 312.757 2.510 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000266187663 205169014 /nfs/dbraw/zinc/16/90/14/205169014.db2.gz FFIOHXCLIRDWLA-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO O=c1[nH]ccc(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596152498 399193609 /nfs/dbraw/zinc/19/36/09/399193609.db2.gz CJWSZCGLDOEHQF-UHFFFAOYSA-N 1 0 306.366 2.514 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000266253066 205216076 /nfs/dbraw/zinc/21/60/76/205216076.db2.gz SLZUPASJLSWOAK-LBPRGKRZSA-N 1 0 323.418 2.604 20 5 DFBDRO Cc1cc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1 ZINC000266311995 205256386 /nfs/dbraw/zinc/25/63/86/205256386.db2.gz GWASZHOXABYVHW-GOOCMWNKSA-N 1 0 317.389 2.648 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601003790 399199999 /nfs/dbraw/zinc/19/99/99/399199999.db2.gz SEFTWIRCZLRMKD-TUKIKUTGSA-N 1 0 305.378 2.502 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000420636882 296194791 /nfs/dbraw/zinc/19/47/91/296194791.db2.gz NZGPOCCTIQMJGC-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601020853 399205016 /nfs/dbraw/zinc/20/50/16/399205016.db2.gz GHZXIAXFJXHWJI-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000063727216 399205092 /nfs/dbraw/zinc/20/50/92/399205092.db2.gz RCGMULSTEAOWGO-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1F ZINC000282976976 217363583 /nfs/dbraw/zinc/36/35/83/217363583.db2.gz DGHIXAUVRHPPDU-UHFFFAOYSA-N 1 0 318.352 2.843 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105697 399228478 /nfs/dbraw/zinc/22/84/78/399228478.db2.gz MIMXXRYVJLMRNG-MBNYWOFBSA-N 1 0 322.384 2.971 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000267431686 206061863 /nfs/dbraw/zinc/06/18/63/206061863.db2.gz MSJGSBILQXSSOX-ZDUSSCGKSA-N 1 0 316.361 2.576 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601137547 399238588 /nfs/dbraw/zinc/23/85/88/399238588.db2.gz ZAMZICIDGBDCBH-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO Cn1ccnc1[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601134851 399237065 /nfs/dbraw/zinc/23/70/65/399237065.db2.gz IQQPGRNKCJOBTP-LBPRGKRZSA-N 1 0 323.356 2.870 20 5 DFBDRO CN(c1ccccc1[N+](=O)[O-])C1CC[NH+](C2CCOCC2)CC1 ZINC000065231510 399239645 /nfs/dbraw/zinc/23/96/45/399239645.db2.gz CQBYZXLHGQNQED-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@H](C)O1 ZINC000601148776 399240600 /nfs/dbraw/zinc/24/06/00/399240600.db2.gz AEUZWHCDACIVOD-PTRXPTGYSA-N 1 0 316.304 2.852 20 5 DFBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601153638 399242276 /nfs/dbraw/zinc/24/22/76/399242276.db2.gz RSDGXLRVEDWZKK-KRWDZBQOSA-N 1 0 318.348 2.817 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000601150734 399241743 /nfs/dbraw/zinc/24/17/43/399241743.db2.gz AZEWXWSGUBXJKA-STQMWFEESA-N 1 0 320.311 2.941 20 5 DFBDRO Cc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601150387 399241949 /nfs/dbraw/zinc/24/19/49/399241949.db2.gz WTWYYAVSETUPBR-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000601169932 399246094 /nfs/dbraw/zinc/24/60/94/399246094.db2.gz SFZFFRCMCNSDQV-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000065674880 399248659 /nfs/dbraw/zinc/24/86/59/399248659.db2.gz WEPKIIIZWZYBIQ-QWRGUYRKSA-N 1 0 311.407 2.507 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000420999778 296222562 /nfs/dbraw/zinc/22/25/62/296222562.db2.gz JSIFDXLADQFPOD-OAHLLOKOSA-N 1 0 307.394 2.520 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526886 296225966 /nfs/dbraw/zinc/22/59/66/296225966.db2.gz QLXDQNWUPHAJKR-MRXNPFEDSA-N 1 0 317.389 2.685 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421065694 296232684 /nfs/dbraw/zinc/23/26/84/296232684.db2.gz KNPQDISFRGJYLE-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000267852485 206303435 /nfs/dbraw/zinc/30/34/35/206303435.db2.gz CLAHEWYFVVXDQC-UHFFFAOYSA-N 1 0 307.394 2.526 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CC[C@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000601298227 399272529 /nfs/dbraw/zinc/27/25/29/399272529.db2.gz FJRRFKJFUDXTMD-OLZOCXBDSA-N 1 0 314.332 2.923 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(F)F ZINC000601299337 399272862 /nfs/dbraw/zinc/27/28/62/399272862.db2.gz PBWJTIXGYSRGRI-MFKMUULPSA-N 1 0 302.321 2.522 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601300662 399273714 /nfs/dbraw/zinc/27/37/14/399273714.db2.gz IXDLPUHXUZRERW-AUTRQRHGSA-N 1 0 306.284 2.866 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601365169 399281807 /nfs/dbraw/zinc/28/18/07/399281807.db2.gz QQAGIWZJSQUKLB-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421525200 296263022 /nfs/dbraw/zinc/26/30/22/296263022.db2.gz FKWZIXQCDJPJIZ-UONOGXRCSA-N 1 0 317.389 2.568 20 5 DFBDRO C[C@@H](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000601433913 399289040 /nfs/dbraw/zinc/28/90/40/399289040.db2.gz KSORYSQSKHNMRI-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO CC(C)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000608972361 399302352 /nfs/dbraw/zinc/30/23/52/399302352.db2.gz BQAQGJJUJWCSIE-OAHLLOKOSA-N 1 0 306.410 2.724 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042243602 183246187 /nfs/dbraw/zinc/24/61/87/183246187.db2.gz NNOZQELOPAGISQ-CQSZACIVSA-N 1 0 317.389 2.748 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000615239433 399315909 /nfs/dbraw/zinc/31/59/09/399315909.db2.gz OXSZZHLBETXPLJ-ZDUSSCGKSA-N 1 0 305.378 2.542 20 5 DFBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000609540925 399321958 /nfs/dbraw/zinc/32/19/58/399321958.db2.gz RWJBDQACTHLMPX-ZFWWWQNUSA-N 1 0 308.378 2.863 20 5 DFBDRO COc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000051685238 425883402 /nfs/dbraw/zinc/88/34/02/425883402.db2.gz QQGJIZYSESCRJC-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO Cc1cc(C(=O)NC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000421683074 296272440 /nfs/dbraw/zinc/27/24/40/296272440.db2.gz CFHVKAGQJZZFGS-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO COc1cc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1F ZINC000268242732 206573700 /nfs/dbraw/zinc/57/37/00/206573700.db2.gz XUISJYIMHBXLBK-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000274131196 211384108 /nfs/dbraw/zinc/38/41/08/211384108.db2.gz BXEBFCYVCKLPCC-VJUNAUMWSA-N 1 0 320.389 2.972 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000610133304 399343736 /nfs/dbraw/zinc/34/37/36/399343736.db2.gz BRAZZIHQOOMYNF-WDEREUQCSA-N 1 0 302.334 2.875 20 5 DFBDRO CCC(=O)c1ccc(N[C@H]2C[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000619484864 399352653 /nfs/dbraw/zinc/35/26/53/399352653.db2.gz KKEYXSHDXJNXPL-RISCZKNCSA-N 1 0 305.378 2.940 20 5 DFBDRO CN(C(=O)C[NH+]1C2CCCC1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000610394963 399363294 /nfs/dbraw/zinc/36/32/94/399363294.db2.gz CLJXSIGZOSXPSD-UHFFFAOYSA-N 1 0 317.389 2.965 20 5 DFBDRO CCC(CC)(CCO)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284995997 218249435 /nfs/dbraw/zinc/24/94/35/218249435.db2.gz YQWICNQFTWEHRR-UHFFFAOYSA-N 1 0 311.338 2.534 20 5 DFBDRO CC(C)[NH+]1CCC(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284989326 218250197 /nfs/dbraw/zinc/25/01/97/218250197.db2.gz GKYSPTBFRVSBQN-GFCCVEGCSA-N 1 0 306.410 2.700 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)[C@H]1CCCCN(C)C1=O ZINC000601971000 399372059 /nfs/dbraw/zinc/37/20/59/399372059.db2.gz SMTMHVMORNYBPW-WFASDCNBSA-N 1 0 305.378 2.599 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)o1 ZINC000601978034 399372895 /nfs/dbraw/zinc/37/28/95/399372895.db2.gz WNZJLOAJWZUPOR-BETUJISGSA-N 1 0 314.341 2.933 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601976500 399373053 /nfs/dbraw/zinc/37/30/53/399373053.db2.gz RBNZTFXQLHGMNM-AWEZNQCLSA-N 1 0 319.405 2.665 20 5 DFBDRO CC1(C)C[NH2+]CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000601984457 399373864 /nfs/dbraw/zinc/37/38/64/399373864.db2.gz RHQHBWBBOLWTAQ-NSHDSACASA-N 1 0 315.377 2.728 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610539318 399378252 /nfs/dbraw/zinc/37/82/52/399378252.db2.gz JDBJQHQOMCUEOG-MRRJBJDNSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1nc(N(CC[NH+](C)C)Cc2cccs2)ccc1[N+](=O)[O-] ZINC000268458783 206730163 /nfs/dbraw/zinc/73/01/63/206730163.db2.gz HGJOQFIRWBHAPY-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO CO[C@@H](C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000610582649 399382784 /nfs/dbraw/zinc/38/27/84/399382784.db2.gz HSRZTMOAMDJDLU-NSHDSACASA-N 1 0 307.350 2.981 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273736504 211017938 /nfs/dbraw/zinc/01/79/38/211017938.db2.gz NLSLWEJAXZWGQD-NXEZZACHSA-N 1 0 314.769 2.926 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285178904 218321892 /nfs/dbraw/zinc/32/18/92/218321892.db2.gz NFJYPVGWZZQDGP-UHTWSYAYSA-N 1 0 321.377 2.559 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000271905064 209311962 /nfs/dbraw/zinc/31/19/62/209311962.db2.gz WKHTVUHRKWISOQ-BZUAXINKSA-N 1 0 302.374 2.685 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610678138 399391913 /nfs/dbraw/zinc/39/19/13/399391913.db2.gz DKKNXIKLHBGQBK-MWLCHTKSSA-N 1 0 315.320 2.948 20 5 DFBDRO CCC[NH+]1CCC(N(C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000109786865 194285769 /nfs/dbraw/zinc/28/57/69/194285769.db2.gz QQRPQLNKGBEPCE-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO CCC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000109786447 194286098 /nfs/dbraw/zinc/28/60/98/194286098.db2.gz NPVXRVBOCNBDIN-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000610678129 399392346 /nfs/dbraw/zinc/39/23/46/399392346.db2.gz DDLWKMIOIFQGLP-IAQYHMDHSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)nc2c1 ZINC000610683067 399393172 /nfs/dbraw/zinc/39/31/72/399393172.db2.gz MOJKWCSSYIJKGK-FZMZJTMJSA-N 1 0 317.345 2.737 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000285572119 218517223 /nfs/dbraw/zinc/51/72/23/218517223.db2.gz NTVXBRFMBNVKFC-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO O=C(NCC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273479858 210807189 /nfs/dbraw/zinc/80/71/89/210807189.db2.gz QEFYHPYIDTULQH-UHFFFAOYSA-N 1 0 324.356 2.731 20 5 DFBDRO Cc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000273450194 210784667 /nfs/dbraw/zinc/78/46/67/210784667.db2.gz CKEBKQAAMSQBHU-HNNXBMFYSA-N 1 0 303.362 2.716 20 5 DFBDRO COc1cc(N2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000610715052 399396737 /nfs/dbraw/zinc/39/67/37/399396737.db2.gz HLXKIVOMMMIEKA-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2C[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610716241 399396961 /nfs/dbraw/zinc/39/69/61/399396961.db2.gz FGBWETUELWYDHL-FZMZJTMJSA-N 1 0 321.377 2.524 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602131840 399399242 /nfs/dbraw/zinc/39/92/42/399399242.db2.gz DHGWJHGWKRPRDY-INIZCTEOSA-N 1 0 317.389 2.570 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268883555 207053807 /nfs/dbraw/zinc/05/38/07/207053807.db2.gz FUSLAIXTUUVMCK-OPFPJEHXSA-N 1 0 319.405 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1 ZINC000610765567 399403895 /nfs/dbraw/zinc/40/38/95/399403895.db2.gz XDLSKGAZOIUKHD-KRWDZBQOSA-N 1 0 313.357 2.781 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1cccc([N+](=O)[O-])c1 ZINC000268946944 207112797 /nfs/dbraw/zinc/11/27/97/207112797.db2.gz UJHTVMPFXLEQNI-DOTOQJQBSA-N 1 0 321.421 2.746 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422721273 296321325 /nfs/dbraw/zinc/32/13/25/296321325.db2.gz UUZVVCGYQXVVHO-CVEARBPZSA-N 1 0 313.357 2.838 20 5 DFBDRO CN(CCOC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610859649 399413300 /nfs/dbraw/zinc/41/33/00/399413300.db2.gz FRGMHTHUWHYVQI-UHFFFAOYSA-N 1 0 307.350 2.983 20 5 DFBDRO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000610864607 399413647 /nfs/dbraw/zinc/41/36/47/399413647.db2.gz MPNNNSAJYQLQRS-RYUDHWBXSA-N 1 0 313.423 2.958 20 5 DFBDRO Cc1ncc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000268972663 207134549 /nfs/dbraw/zinc/13/45/49/207134549.db2.gz ZJDTWQMXTYSICW-LLVKDONJSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616061960 399417618 /nfs/dbraw/zinc/41/76/18/399417618.db2.gz HXQUQEFGMTXLKB-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616060709 399417641 /nfs/dbraw/zinc/41/76/41/399417641.db2.gz GNOXDAJPKINRBH-SMDDNHRTSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H]1C[NH+](CCCCNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610864660 399414002 /nfs/dbraw/zinc/41/40/02/399414002.db2.gz XAXTVYSLYYNPFV-RYUDHWBXSA-N 1 0 313.423 2.958 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000058092754 184074337 /nfs/dbraw/zinc/07/43/37/184074337.db2.gz PFFFYIULKFEOKL-UHFFFAOYSA-N 1 0 313.357 2.886 20 5 DFBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])s2)ccn1 ZINC000611193804 399444334 /nfs/dbraw/zinc/44/43/34/399444334.db2.gz CGGBCZVUMWXXFQ-UHFFFAOYSA-N 1 0 322.390 2.604 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602437450 399444352 /nfs/dbraw/zinc/44/43/52/399444352.db2.gz XZUFSPIURLEZJF-OAHLLOKOSA-N 1 0 300.362 2.535 20 5 DFBDRO CC(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])Cc1ccccc1 ZINC000602445863 399446098 /nfs/dbraw/zinc/44/60/98/399446098.db2.gz XCQBXHUVNAOTNH-UHFFFAOYSA-N 1 0 302.378 2.987 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000611225392 399448111 /nfs/dbraw/zinc/44/81/11/399448111.db2.gz PHZHJUFPTOTZPH-VXGBXAGGSA-N 1 0 318.377 2.651 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](Cc2c[nH]c3ncncc23)C2CC2)c1 ZINC000602441760 399444741 /nfs/dbraw/zinc/44/47/41/399444741.db2.gz ZKSTZWHVDZWSFY-UHFFFAOYSA-N 1 0 323.356 2.982 20 5 DFBDRO CC[C@]1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274834 399456712 /nfs/dbraw/zinc/45/67/12/399456712.db2.gz JQAONFGOBGLIEE-MRXNPFEDSA-N 1 0 306.362 2.988 20 5 DFBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478401 399457074 /nfs/dbraw/zinc/45/70/74/399457074.db2.gz XYYNLHISFMXUCS-HIFRSBDPSA-N 1 0 314.389 2.781 20 5 DFBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478979 399457260 /nfs/dbraw/zinc/45/72/60/399457260.db2.gz WHCUEYLTJIIHPL-YPMHNXCESA-N 1 0 318.352 2.845 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000611280899 399457377 /nfs/dbraw/zinc/45/73/77/399457377.db2.gz MLOSYOXPLJTWDO-AWEZNQCLSA-N 1 0 319.405 2.544 20 5 DFBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478403 399457389 /nfs/dbraw/zinc/45/73/89/399457389.db2.gz XYYNLHISFMXUCS-ZFWWWQNUSA-N 1 0 314.389 2.781 20 5 DFBDRO COCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602506936 399463527 /nfs/dbraw/zinc/46/35/27/399463527.db2.gz YTKWHCCGRWPQHR-UHFFFAOYSA-N 1 0 309.185 2.545 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCOC2)cc1Br ZINC000602510781 399463931 /nfs/dbraw/zinc/46/39/31/399463931.db2.gz OGDXKWVYXJEVDS-SSDOTTSWSA-N 1 0 321.196 2.545 20 5 DFBDRO CC[C@](C)(O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602511574 399464877 /nfs/dbraw/zinc/46/48/77/399464877.db2.gz OTGGOEHKHVLMFA-JTQLQIEISA-N 1 0 323.212 2.669 20 5 DFBDRO COc1cc(C[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000602516770 399466464 /nfs/dbraw/zinc/46/64/64/399466464.db2.gz QSQLPHGULZGDMJ-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CC2CC2)c2ccccc2)n1 ZINC000611395519 399470544 /nfs/dbraw/zinc/47/05/44/399470544.db2.gz GIBLNIVHJBEUNP-HNNXBMFYSA-N 1 0 300.362 2.922 20 5 DFBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602559751 399475133 /nfs/dbraw/zinc/47/51/33/399475133.db2.gz QKFFFADWCVAXTM-BDAKNGLRSA-N 1 0 306.284 2.720 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562923 399476402 /nfs/dbraw/zinc/47/64/02/399476402.db2.gz IJFQHEDVXBMCHO-IUODEOHRSA-N 1 0 304.394 2.737 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)(C)n2cncn2)cc1[N+](=O)[O-] ZINC000602562998 399476407 /nfs/dbraw/zinc/47/64/07/399476407.db2.gz LAJHLOQGVDTMCN-QWHCGFSZSA-N 1 0 317.393 2.969 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000602562879 399476483 /nfs/dbraw/zinc/47/64/83/399476483.db2.gz KDCJRMDDCYTHCM-CXAGYDPISA-N 1 0 322.405 2.995 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562927 399476768 /nfs/dbraw/zinc/47/67/68/399476768.db2.gz IJFQHEDVXBMCHO-WFASDCNBSA-N 1 0 304.394 2.737 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000602562885 399476910 /nfs/dbraw/zinc/47/69/10/399476910.db2.gz KDCJRMDDCYTHCM-SUMWQHHRSA-N 1 0 322.405 2.995 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+]C(C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000611433986 399476212 /nfs/dbraw/zinc/47/62/12/399476212.db2.gz AQQZCARREGYBDW-UHFFFAOYSA-N 1 0 323.393 2.812 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1CCC([NH3+])CC1 ZINC000422762389 296328981 /nfs/dbraw/zinc/32/89/81/296328981.db2.gz MTKNAHRLNSUZTA-UHFFFAOYSA-N 1 0 305.378 2.520 20 5 DFBDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602580739 399481790 /nfs/dbraw/zinc/48/17/90/399481790.db2.gz ZQWNVXJTSRWELX-LURJTMIESA-N 1 0 323.212 2.668 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cnc(C3CC3)nc2)cc1 ZINC000602582324 399482281 /nfs/dbraw/zinc/48/22/81/399482281.db2.gz WGBVIYSWMWDDAD-UHFFFAOYSA-N 1 0 312.373 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501865 399482976 /nfs/dbraw/zinc/48/29/76/399482976.db2.gz JOAMGCAJSSXNIZ-SMDDNHRTSA-N 1 0 323.368 2.912 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000611501786 399483299 /nfs/dbraw/zinc/48/32/99/399483299.db2.gz MAEVHCRDOXNXHG-INIZCTEOSA-N 1 0 308.378 2.721 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000422768251 296329871 /nfs/dbraw/zinc/32/98/71/296329871.db2.gz RVWZMBHRGKIVKA-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCO1 ZINC000602584772 399483973 /nfs/dbraw/zinc/48/39/73/399483973.db2.gz ANHXMZPGCLGEAM-ZWNOBZJWSA-N 1 0 305.334 2.783 20 5 DFBDRO COc1cc(C[NH2+][C@](C)(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611515747 399486308 /nfs/dbraw/zinc/48/63/08/399486308.db2.gz RPDYTSZCRKTJQS-QGZVFWFLSA-N 1 0 316.357 2.601 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@H](C4CC4)C3)nc2c1 ZINC000602616482 399491881 /nfs/dbraw/zinc/49/18/81/399491881.db2.gz JDVAZADVCLQMLI-NHYWBVRUSA-N 1 0 317.345 2.783 20 5 DFBDRO CC(C)([NH2+]Cc1c[nH]c2ncncc12)c1ccc([N+](=O)[O-])cc1 ZINC000602612780 399489917 /nfs/dbraw/zinc/48/99/17/399489917.db2.gz QVNUUBKSYYWBHM-UHFFFAOYSA-N 1 0 311.345 2.843 20 5 DFBDRO CC1(C)CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602624324 399494177 /nfs/dbraw/zinc/49/41/77/399494177.db2.gz MIMRHRKQBKLDQA-LLVKDONJSA-N 1 0 305.334 2.783 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(CCO)CC1 ZINC000602624304 399494203 /nfs/dbraw/zinc/49/42/03/399494203.db2.gz LXRLJBBBWNSQRD-UHFFFAOYSA-N 1 0 318.295 2.866 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919376 194536235 /nfs/dbraw/zinc/53/62/35/194536235.db2.gz KWJKRNWUQWJWPY-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](OC(F)F)C2)c1 ZINC000611578440 399496197 /nfs/dbraw/zinc/49/61/97/399496197.db2.gz OLPICOKPWIBPIJ-CYBMUJFWSA-N 1 0 316.304 2.677 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000602635838 399498744 /nfs/dbraw/zinc/49/87/44/399498744.db2.gz VGZFTBDEEDOJEV-BRWVUGGUSA-N 1 0 320.389 2.719 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000602632403 399497391 /nfs/dbraw/zinc/49/73/91/399497391.db2.gz IPJTWRNDELMADC-UHFFFAOYSA-N 1 0 324.274 2.644 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3cc(O)ccc3C2)cc1 ZINC000602634517 399497897 /nfs/dbraw/zinc/49/78/97/399497897.db2.gz RXIDOWZEYJSFPL-INIZCTEOSA-N 1 0 312.369 2.990 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(CO)CC3(CCC3)C2)cc1 ZINC000602639380 399499393 /nfs/dbraw/zinc/49/93/93/399499393.db2.gz KJQZAQZNVSANKR-UHFFFAOYSA-N 1 0 304.390 2.670 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc1 ZINC000273177018 210554485 /nfs/dbraw/zinc/55/44/85/210554485.db2.gz NMDZSSICSXEIBL-OAHLLOKOSA-N 1 0 313.361 2.634 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000422805760 296336403 /nfs/dbraw/zinc/33/64/03/296336403.db2.gz HJEADPVOPPYKNN-AWEZNQCLSA-N 1 0 319.405 2.640 20 5 DFBDRO C[NH2+]CC1CCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000422809417 296336852 /nfs/dbraw/zinc/33/68/52/296336852.db2.gz PQTPDMAZZPQJOX-UHFFFAOYSA-N 1 0 319.405 2.592 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671674 399513593 /nfs/dbraw/zinc/51/35/93/399513593.db2.gz SRYYNFQSWWZBDE-LBPRGKRZSA-N 1 0 320.393 2.946 20 5 DFBDRO C[C@H]([NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000602674561 399515803 /nfs/dbraw/zinc/51/58/03/399515803.db2.gz VYOZLBVILRGRKD-LBPRGKRZSA-N 1 0 317.393 2.835 20 5 DFBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCOC1 ZINC000602697280 399525148 /nfs/dbraw/zinc/52/51/48/399525148.db2.gz FNDMRXQAFDNFDZ-GFCCVEGCSA-N 1 0 305.334 2.737 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347558993 285078055 /nfs/dbraw/zinc/07/80/55/285078055.db2.gz OXDJJNIGQVNJGG-GFCCVEGCSA-N 1 0 317.345 2.728 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000262579617 285085892 /nfs/dbraw/zinc/08/58/92/285085892.db2.gz YTGQTFIQHSZFQC-GXSJLCMTSA-N 1 0 315.295 2.802 20 5 DFBDRO CC1CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602716722 399536713 /nfs/dbraw/zinc/53/67/13/399536713.db2.gz XZOSKDDABSTKLX-UHFFFAOYSA-N 1 0 304.394 2.594 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724447 399541757 /nfs/dbraw/zinc/54/17/57/399541757.db2.gz SXTYGDLMJQKURX-LBPRGKRZSA-N 1 0 318.377 2.558 20 5 DFBDRO CCN1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000159265010 197341442 /nfs/dbraw/zinc/34/14/42/197341442.db2.gz JVKNZHBLJAKVFM-QGZVFWFLSA-N 1 0 317.433 2.990 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCO)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000283925976 285111959 /nfs/dbraw/zinc/11/19/59/285111959.db2.gz CLVFOVTTZPIYPB-UHFFFAOYSA-N 1 0 323.349 2.630 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cc1 ZINC000288710518 285115202 /nfs/dbraw/zinc/11/52/02/285115202.db2.gz ZFGWCSWOWJMVQN-AWEZNQCLSA-N 1 0 302.305 2.827 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000423071492 296375066 /nfs/dbraw/zinc/37/50/66/296375066.db2.gz OKSPKLLDBUOYRA-XJKSGUPXSA-N 1 0 319.405 2.720 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000319271193 285131415 /nfs/dbraw/zinc/13/14/15/285131415.db2.gz ARNYKOKXSVAIEO-ZDUSSCGKSA-N 1 0 315.295 2.803 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000602761077 399559511 /nfs/dbraw/zinc/55/95/11/399559511.db2.gz VXUZRINXDNOTTB-INIZCTEOSA-N 1 0 314.389 2.807 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnc1 ZINC000271068906 208598715 /nfs/dbraw/zinc/59/87/15/208598715.db2.gz DNLKDSATXXZGFY-CYBMUJFWSA-N 1 0 320.418 2.952 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2ncnn21 ZINC000602763562 399561172 /nfs/dbraw/zinc/56/11/72/399561172.db2.gz MAZWTHKFPXQNMO-HNNXBMFYSA-N 1 0 315.377 2.584 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286471978 219007523 /nfs/dbraw/zinc/00/75/23/219007523.db2.gz NTMLFNNSPAYGFO-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000271092858 208618427 /nfs/dbraw/zinc/61/84/27/208618427.db2.gz LPQLXOZARGGRSL-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO COc1cc(N2CCC([NH2+]C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271106492 208627265 /nfs/dbraw/zinc/62/72/65/208627265.db2.gz SBDJWWSBXPILPH-UHFFFAOYSA-N 1 0 311.357 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000278381988 285140888 /nfs/dbraw/zinc/14/08/88/285140888.db2.gz FFBQUVIVXCQLLF-CYBMUJFWSA-N 1 0 315.377 2.536 20 5 DFBDRO Cn1cc(C[NH2+]C(C)(C)CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602774368 399567211 /nfs/dbraw/zinc/56/72/11/399567211.db2.gz YDYITCYLVWLXTI-UHFFFAOYSA-N 1 0 302.378 2.829 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000370516110 285160554 /nfs/dbraw/zinc/16/05/54/285160554.db2.gz AFSVMYKXWBRMDX-QAPCUYQASA-N 1 0 312.369 2.980 20 5 DFBDRO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000157793374 197215864 /nfs/dbraw/zinc/21/58/64/197215864.db2.gz QEVGPXZSKSPYMX-BBRMVZONSA-N 1 0 308.378 2.783 20 5 DFBDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157759669 197213958 /nfs/dbraw/zinc/21/39/58/197213958.db2.gz UHIRCOANWOBPMI-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000157659787 197205575 /nfs/dbraw/zinc/20/55/75/197205575.db2.gz IEOXVYNUOLAQMR-UHFFFAOYSA-N 1 0 321.402 2.995 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120313261 195141360 /nfs/dbraw/zinc/14/13/60/195141360.db2.gz UAEOUNGXGLUPKZ-OAGGEKHMSA-N 1 0 320.389 2.719 20 5 DFBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602815125 399585814 /nfs/dbraw/zinc/58/58/14/399585814.db2.gz CBJBTYRVNNIDRR-QWHCGFSZSA-N 1 0 312.439 2.754 20 5 DFBDRO CC(C)C([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000612121397 399587395 /nfs/dbraw/zinc/58/73/95/399587395.db2.gz UDQRMDFKMZYZLC-ZDUSSCGKSA-N 1 0 310.394 2.605 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000291625274 285186710 /nfs/dbraw/zinc/18/67/10/285186710.db2.gz KWHOCAUCIXHRDY-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C(C)(C)c1ccccc1 ZINC000602826251 399590338 /nfs/dbraw/zinc/59/03/38/399590338.db2.gz JXZSOYRDVRIUJY-UHFFFAOYSA-N 1 0 302.378 2.967 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000602833330 399593941 /nfs/dbraw/zinc/59/39/41/399593941.db2.gz OMKTYUFZFCHENE-UHFFFAOYSA-N 1 0 302.325 2.609 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000156776903 197139625 /nfs/dbraw/zinc/13/96/25/197139625.db2.gz VMGVWFABEMPEFG-UHFFFAOYSA-N 1 0 313.785 2.660 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156505459 197119208 /nfs/dbraw/zinc/11/92/08/197119208.db2.gz CBYILABZBZOTQU-CJNGLKHVSA-N 1 0 300.362 2.874 20 5 DFBDRO CCc1ccc([C@@H](NCC2C[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423304674 296402583 /nfs/dbraw/zinc/40/25/83/296402583.db2.gz OQZMONRUMWJEBO-KRWDZBQOSA-N 1 0 315.373 2.649 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156078488 197084848 /nfs/dbraw/zinc/08/48/48/197084848.db2.gz CHLOWOINQVGWOC-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156023074 197080560 /nfs/dbraw/zinc/08/05/60/197080560.db2.gz OSDWGRDZZWOSSM-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000294734035 224200152 /nfs/dbraw/zinc/20/01/52/224200152.db2.gz WNDZXKBLLVXQDC-IUODEOHRSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423431656 296416189 /nfs/dbraw/zinc/41/61/89/296416189.db2.gz AQAACSBPTKMKMY-PBWFPOADSA-N 1 0 317.389 2.567 20 5 DFBDRO COc1ccc(C[N@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000120384352 195155864 /nfs/dbraw/zinc/15/58/64/195155864.db2.gz CJXOUHGKFASPRM-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO C[NH+](C)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000602891321 399616988 /nfs/dbraw/zinc/61/69/88/399616988.db2.gz XDTKBRFQEOKTTP-LBPRGKRZSA-N 1 0 317.311 2.750 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000120782535 195237861 /nfs/dbraw/zinc/23/78/61/195237861.db2.gz WPLUOWGGRTVZFI-UHFFFAOYSA-N 1 0 307.394 2.789 20 5 DFBDRO Cc1cc(Cl)c(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294850846 224263655 /nfs/dbraw/zinc/26/36/55/224263655.db2.gz GIYPNKDCJWNFTF-SNVBAGLBSA-N 1 0 313.785 2.627 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289570153 221075090 /nfs/dbraw/zinc/07/50/90/221075090.db2.gz JLNMVFMUSIHYTM-FKEKPDDDSA-N 1 0 303.406 2.960 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289676170 221146108 /nfs/dbraw/zinc/14/61/08/221146108.db2.gz CCGXGPDKHCNPQM-MSOLQXFVSA-N 1 0 312.369 2.851 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602925812 399630313 /nfs/dbraw/zinc/63/03/13/399630313.db2.gz DSJUTGSGUNDKRA-MKBNYLNASA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423660297 296437230 /nfs/dbraw/zinc/43/72/30/296437230.db2.gz JXFBNXKHQBBMNJ-HDJSIYSDSA-N 1 0 319.405 2.707 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000289770796 221214489 /nfs/dbraw/zinc/21/44/89/221214489.db2.gz LFZOPAPBSXWTBL-UHFFFAOYSA-N 1 0 318.377 2.541 20 5 DFBDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000289840730 221262371 /nfs/dbraw/zinc/26/23/71/221262371.db2.gz PIXKVNQIDMBKRM-GOEBONIOSA-N 1 0 303.406 2.962 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000294944920 224329586 /nfs/dbraw/zinc/32/95/86/224329586.db2.gz LOEMECFROKYRNG-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO CC1(F)CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602993031 399653150 /nfs/dbraw/zinc/65/31/50/399653150.db2.gz NUIPDLZDIPNDJP-UHFFFAOYSA-N 1 0 309.341 2.747 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997656 399655211 /nfs/dbraw/zinc/65/52/11/399655211.db2.gz OLGHYFQIDOPGHX-XHSDSOJGSA-N 1 0 320.389 2.729 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000602999945 399655405 /nfs/dbraw/zinc/65/54/05/399655405.db2.gz PYDYZPSWJRXAMB-HNNXBMFYSA-N 1 0 319.405 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000612402177 399643550 /nfs/dbraw/zinc/64/35/50/399643550.db2.gz TURUCBFCCKHTIK-CYBMUJFWSA-N 1 0 306.362 2.549 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](O)CCc2ccccc2)cc1 ZINC000612606098 399688148 /nfs/dbraw/zinc/68/81/48/399688148.db2.gz IPKDCOCCAIFKBF-SFHVURJKSA-N 1 0 314.385 2.721 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000603185760 399705068 /nfs/dbraw/zinc/70/50/68/399705068.db2.gz LISCMNGBUBRRBF-IINYFYTJSA-N 1 0 303.366 2.842 20 5 DFBDRO Cc1c(Cn2cc(C[NH2+]C3CCCC3)nn2)cccc1[N+](=O)[O-] ZINC000603194410 399706991 /nfs/dbraw/zinc/70/69/91/399706991.db2.gz BKZXDVBECFSFEA-UHFFFAOYSA-N 1 0 315.377 2.575 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+]C2CCCC2)nn1 ZINC000603218377 399713639 /nfs/dbraw/zinc/71/36/39/399713639.db2.gz LHWCIKUUQAWWMX-GFCCVEGCSA-N 1 0 315.377 2.828 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000119557134 542573446 /nfs/dbraw/zinc/57/34/46/542573446.db2.gz ZMVWHRXZPGZYSK-JTNHKYCSSA-N 1 0 305.378 2.608 20 5 DFBDRO Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000121960877 195382222 /nfs/dbraw/zinc/38/22/22/195382222.db2.gz FMBBHDXXRKHHMX-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1CCC[C@@](CNC(=O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124508722 195649027 /nfs/dbraw/zinc/64/90/27/195649027.db2.gz SPDYQOZTCCFBRR-SUMWQHHRSA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1nc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000603415565 399771202 /nfs/dbraw/zinc/77/12/02/399771202.db2.gz KYNYQBZFWOMKCU-HOTGVXAUSA-N 1 0 324.384 2.761 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000423972584 296470267 /nfs/dbraw/zinc/47/02/67/296470267.db2.gz IJKPMVRQCROUKI-GFCCVEGCSA-N 1 0 319.386 2.649 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000146475877 542660330 /nfs/dbraw/zinc/66/03/30/542660330.db2.gz MGQAVVZUXNUZRO-CQSZACIVSA-N 1 0 317.389 2.732 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617731479 399786624 /nfs/dbraw/zinc/78/66/24/399786624.db2.gz GTNMDOSMMWBDIA-HIFRSBDPSA-N 1 0 319.405 2.689 20 5 DFBDRO CC(C)(CC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000424058965 296481364 /nfs/dbraw/zinc/48/13/64/296481364.db2.gz ONIHIGYVBDRFIY-UHFFFAOYSA-N 1 0 307.375 2.667 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000212085501 542870710 /nfs/dbraw/zinc/87/07/10/542870710.db2.gz XKXRQMILTUSTLT-FPLPWBNLSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261623367 542952153 /nfs/dbraw/zinc/95/21/53/542952153.db2.gz CEDPPYIXJAEQED-ZJUUUORDSA-N 1 0 319.386 2.619 20 5 DFBDRO COc1ccnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000424304676 296500304 /nfs/dbraw/zinc/50/03/04/296500304.db2.gz BPGRLBJBJNMFHA-GFCCVEGCSA-N 1 0 316.361 2.504 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424349595 296504546 /nfs/dbraw/zinc/50/45/46/296504546.db2.gz MCEUJTIMRRIGEU-NRWUCQMLSA-N 1 0 303.362 2.700 20 5 DFBDRO CC1CC[NH+](C[C@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000604525118 399852516 /nfs/dbraw/zinc/85/25/16/399852516.db2.gz PUMMPUZAQYSPOI-OAHLLOKOSA-N 1 0 318.421 2.938 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553982 399855688 /nfs/dbraw/zinc/85/56/88/399855688.db2.gz IMLPXVWXPVPXMQ-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO COC(=O)c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000348931367 285724909 /nfs/dbraw/zinc/72/49/09/285724909.db2.gz AXCMVSMSFSKQMY-UHFFFAOYSA-N 1 0 300.314 2.671 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052661922 425885371 /nfs/dbraw/zinc/88/53/71/425885371.db2.gz VYOYAYTVLUWZOI-ZDUSSCGKSA-N 1 0 320.393 2.981 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000172863272 145321308 /nfs/dbraw/zinc/32/13/08/145321308.db2.gz WXJFCFSKFXGFEH-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000173043527 145330358 /nfs/dbraw/zinc/33/03/58/145330358.db2.gz GKCXUZULMKPYNA-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000174062489 145365860 /nfs/dbraw/zinc/36/58/60/145365860.db2.gz FDBOAHSTZQPUCZ-XQQFMLRXSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194971 146128791 /nfs/dbraw/zinc/12/87/91/146128791.db2.gz LLZYSDMWHPURHL-HOTGVXAUSA-N 1 0 303.406 2.819 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246669918 146148721 /nfs/dbraw/zinc/14/87/21/146148721.db2.gz MBDOEGIJIAKKTM-BLLLJJGKSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247354143 146166523 /nfs/dbraw/zinc/16/65/23/146166523.db2.gz PNOUJUGHMIYIIY-DGCLKSJQSA-N 1 0 318.377 2.604 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000249698504 146203647 /nfs/dbraw/zinc/20/36/47/146203647.db2.gz CUOACFFTVDJHKV-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000261708717 146264005 /nfs/dbraw/zinc/26/40/05/146264005.db2.gz KXFXEYNDFNBUOV-UHFFFAOYSA-N 1 0 318.377 2.591 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1 ZINC000261745939 146269280 /nfs/dbraw/zinc/26/92/80/146269280.db2.gz MZKVFSZRAGCSGT-UONOGXRCSA-N 1 0 303.387 2.583 20 5 DFBDRO CSc1ccc(-c2nc(C3([NH3+])CCC3)no2)cc1[N+](=O)[O-] ZINC000261798087 146279328 /nfs/dbraw/zinc/27/93/28/146279328.db2.gz OZPQYZZAHJNEFL-UHFFFAOYSA-N 1 0 306.347 2.705 20 5 DFBDRO COc1ccc(CN2CC[NH2+]CC23CCCCC3)cc1[N+](=O)[O-] ZINC000261842173 146287789 /nfs/dbraw/zinc/28/77/89/146287789.db2.gz YRVXGXBNXRYGLK-UHFFFAOYSA-N 1 0 319.405 2.712 20 5 DFBDRO COc1cccc(NC[C@@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000261870813 146291996 /nfs/dbraw/zinc/29/19/96/146291996.db2.gz LJGKZRRKEYUHTK-HNNXBMFYSA-N 1 0 313.357 2.902 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]CC12CCCCC2 ZINC000262077552 146330744 /nfs/dbraw/zinc/33/07/44/146330744.db2.gz GUXNUTNFSSFZGU-UHFFFAOYSA-N 1 0 307.369 2.842 20 5 DFBDRO Cc1ccc(CN(CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000262095478 146332965 /nfs/dbraw/zinc/33/29/65/146332965.db2.gz VDDRABFJTGXCEZ-UHFFFAOYSA-N 1 0 313.401 2.907 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@H]1[NH2+]CCc2ccccc21 ZINC000262434073 146359213 /nfs/dbraw/zinc/35/92/13/146359213.db2.gz GECGLYUVMMCNGH-CYBMUJFWSA-N 1 0 318.764 2.942 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268185262 146509737 /nfs/dbraw/zinc/50/97/37/146509737.db2.gz UOGXILHDSXIPTF-NSHDSACASA-N 1 0 309.366 2.524 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000354371752 147011292 /nfs/dbraw/zinc/01/12/92/147011292.db2.gz JRINKVBOXZGLPD-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354413754 147027699 /nfs/dbraw/zinc/02/76/99/147027699.db2.gz YFTXMSTZHHCUNW-OCCSQVGLSA-N 1 0 305.378 2.540 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354419552 147029779 /nfs/dbraw/zinc/02/97/79/147029779.db2.gz XJQPBNHFHLLQBE-HNNXBMFYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354435488 147034680 /nfs/dbraw/zinc/03/46/80/147034680.db2.gz PIQCYJGHNMNZRM-CMPLNLGQSA-N 1 0 311.407 2.601 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000355046884 147219799 /nfs/dbraw/zinc/21/97/99/147219799.db2.gz ZZZAPHIARKTYKV-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@H](OCC)C1(C)C ZINC000355339660 147273331 /nfs/dbraw/zinc/27/33/31/147273331.db2.gz UUJCHRIIODTLDX-KBPBESRZSA-N 1 0 324.425 2.744 20 5 DFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354515 147281520 /nfs/dbraw/zinc/28/15/20/147281520.db2.gz LIYSMWBGMRNNLR-GOEBONIOSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[NH+]1CCCC1 ZINC000355577049 147369565 /nfs/dbraw/zinc/36/95/65/147369565.db2.gz CVDQIGWAZKOINJ-UHFFFAOYSA-N 1 0 320.393 2.819 20 5 DFBDRO CSC1(CNc2c(F)cccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357588568 148049073 /nfs/dbraw/zinc/04/90/73/148049073.db2.gz ZRXBDJJVUWBFGA-UHFFFAOYSA-N 1 0 313.398 2.973 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358023056 148215653 /nfs/dbraw/zinc/21/56/53/148215653.db2.gz JWLORMLYUUMTDU-ZDUSSCGKSA-N 1 0 316.357 2.817 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000358031808 148218423 /nfs/dbraw/zinc/21/84/23/148218423.db2.gz ZDAJWWFPSSONMP-CYBMUJFWSA-N 1 0 316.357 2.817 20 5 DFBDRO CO[C@@]1(C)C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000358087948 148239988 /nfs/dbraw/zinc/23/99/88/148239988.db2.gz QTFPCNGGDLCCHK-HOCLYGCPSA-N 1 0 308.378 2.767 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358310488 148325452 /nfs/dbraw/zinc/32/54/52/148325452.db2.gz RAOVBUNRVLMRLU-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000358324669 148329573 /nfs/dbraw/zinc/32/95/73/148329573.db2.gz UUMDFBKWVQDKGP-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000360880683 148962907 /nfs/dbraw/zinc/96/29/07/148962907.db2.gz AEEWSBDUFZUIKG-LBPRGKRZSA-N 1 0 323.422 2.896 20 5 DFBDRO Cc1cc(Cc2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263839 149070278 /nfs/dbraw/zinc/07/02/78/149070278.db2.gz WEWJQEXFKCEDMR-AAEUAGOBSA-N 1 0 316.361 2.542 20 5 DFBDRO C[C@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000361350307 149092789 /nfs/dbraw/zinc/09/27/89/149092789.db2.gz DWDMQFPDAXZQBD-RDJZCZTQSA-N 1 0 304.390 2.667 20 5 DFBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)(C)C ZINC000361530063 149140494 /nfs/dbraw/zinc/14/04/94/149140494.db2.gz YBQJOKFGBQNNDF-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000361652149 149180932 /nfs/dbraw/zinc/18/09/32/149180932.db2.gz HUIUKXXQKFUYER-ZIAGYGMSSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000361661702 149185096 /nfs/dbraw/zinc/18/50/96/149185096.db2.gz OGRWJAIURZQBTD-JSGCOSHPSA-N 1 0 316.357 2.915 20 5 DFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000286541891 286094860 /nfs/dbraw/zinc/09/48/60/286094860.db2.gz WPNNXEXTHIJCRP-GJZGRUSLSA-N 1 0 319.405 2.593 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000362742503 149355845 /nfs/dbraw/zinc/35/58/45/149355845.db2.gz RXUUILOTIMRNHW-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351501161 286137108 /nfs/dbraw/zinc/13/71/08/286137108.db2.gz IPMUOYVNLNLZSB-IHRRRGAJSA-N 1 0 324.425 2.662 20 5 DFBDRO COc1ccc(CN2CCC[N@H+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000369583436 149806555 /nfs/dbraw/zinc/80/65/55/149806555.db2.gz IXXFPKBCNFNMFD-UHFFFAOYSA-N 1 0 321.421 2.767 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000371198098 150000743 /nfs/dbraw/zinc/00/07/43/150000743.db2.gz ZZRCYSZCRWILBQ-JKSUJKDBSA-N 1 0 317.389 2.504 20 5 DFBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000371332863 150024924 /nfs/dbraw/zinc/02/49/24/150024924.db2.gz BJTVKRVVPPQNAX-BOTMBNHJSA-N 1 0 313.361 2.606 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371546300 150063188 /nfs/dbraw/zinc/06/31/88/150063188.db2.gz ZICHPSAXRDKMCH-UXILZDJPSA-N 1 0 301.390 2.634 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CCCOCC3)o2)c1 ZINC000371557059 150065434 /nfs/dbraw/zinc/06/54/34/150065434.db2.gz NLFUVAMSKPPUEE-UHFFFAOYSA-N 1 0 317.345 2.515 20 5 DFBDRO Cc1cn2c(n1)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000372949537 150206765 /nfs/dbraw/zinc/20/67/65/150206765.db2.gz OXJRFYHFJQKPIZ-AWEZNQCLSA-N 1 0 300.362 2.767 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC23CCC3)c2c(c1)COCO2 ZINC000373103406 150231164 /nfs/dbraw/zinc/23/11/64/150231164.db2.gz GCOHDQLUJVLZMK-UHFFFAOYSA-N 1 0 304.346 2.980 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000373766435 150254950 /nfs/dbraw/zinc/25/49/50/150254950.db2.gz NCHOSOTZBBNGTE-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO COc1cc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632281 286176086 /nfs/dbraw/zinc/17/60/86/286176086.db2.gz WZIRLXULXBGZMV-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000373987997 150287776 /nfs/dbraw/zinc/28/77/76/150287776.db2.gz OHBCPVGUIFTJRM-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccc([N+](=O)[O-])s3)C2)CC1 ZINC000374099077 150305840 /nfs/dbraw/zinc/30/58/40/150305840.db2.gz JUXWTILGWXJMOE-UHFFFAOYSA-N 1 0 323.418 2.604 20 5 DFBDRO C[NH+]1CCC2(CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)CC1 ZINC000374149653 150312593 /nfs/dbraw/zinc/31/25/93/150312593.db2.gz BOAQSRNWNANUCE-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@]1(C)CCCc2ccccc21 ZINC000351724342 286203415 /nfs/dbraw/zinc/20/34/15/286203415.db2.gz RACVIWDMLGOOLK-MRXNPFEDSA-N 1 0 300.362 2.670 20 5 DFBDRO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000351937294 286250155 /nfs/dbraw/zinc/25/01/55/286250155.db2.gz POIJOIDTNSVCDN-HIFRSBDPSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000178200099 292246458 /nfs/dbraw/zinc/24/64/58/292246458.db2.gz IXZACBDFYAQPSM-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352045060 286278709 /nfs/dbraw/zinc/27/87/09/286278709.db2.gz IWKYISWFPQNXSE-NSHDSACASA-N 1 0 313.348 2.789 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000352050278 286279960 /nfs/dbraw/zinc/27/99/60/286279960.db2.gz YYTLPMYRANUUSS-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360094 286352964 /nfs/dbraw/zinc/35/29/64/286352964.db2.gz LWBGQZOBXYTCCV-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360076 286353061 /nfs/dbraw/zinc/35/30/61/286353061.db2.gz LOKAEPJQRLXRHS-DOMZBBRYSA-N 1 0 314.389 2.919 20 5 DFBDRO C[NH+](C)CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352356983 286351964 /nfs/dbraw/zinc/35/19/64/286351964.db2.gz PEABKQOPXOYAGJ-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000352382851 286359477 /nfs/dbraw/zinc/35/94/77/286359477.db2.gz SXCKNANUPVJUNM-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO COc1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352417081 286368133 /nfs/dbraw/zinc/36/81/33/286368133.db2.gz MRIHVYRJVMPLIQ-INIZCTEOSA-N 1 0 316.357 2.769 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066535385 286384008 /nfs/dbraw/zinc/38/40/08/286384008.db2.gz CEJPZDRLBNTCCK-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246214775 292288886 /nfs/dbraw/zinc/28/88/86/292288886.db2.gz ASBVDWGSGIXGQI-ZFWWWQNUSA-N 1 0 316.405 2.751 20 5 DFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352795604 286470249 /nfs/dbraw/zinc/47/02/49/286470249.db2.gz DSMBVSJQKVTWPQ-ZFWWWQNUSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352796544 286470463 /nfs/dbraw/zinc/47/04/63/286470463.db2.gz GOFLAMBGTUFXLY-OLZOCXBDSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000353017707 286529568 /nfs/dbraw/zinc/52/95/68/286529568.db2.gz RVXAUCLYCDBFOO-BLLLJJGKSA-N 1 0 319.405 2.740 20 5 DFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353133557 286559182 /nfs/dbraw/zinc/55/91/82/286559182.db2.gz GAOMVSCHSJAIPI-DZGCQCFKSA-N 1 0 323.368 2.517 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353142675 286561815 /nfs/dbraw/zinc/56/18/15/286561815.db2.gz HCAVIVUNNGGZKG-ZIAGYGMSSA-N 1 0 314.769 2.532 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247697698 158148947 /nfs/dbraw/zinc/14/89/47/158148947.db2.gz WZOPBUCKRZHSEG-HIFRSBDPSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000248371923 158169031 /nfs/dbraw/zinc/16/90/31/158169031.db2.gz ZHADCANHUDXMSR-QWRGUYRKSA-N 1 0 302.334 2.875 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000356909750 158322038 /nfs/dbraw/zinc/32/20/38/158322038.db2.gz VYRVGICTQURKAJ-ZDUSSCGKSA-N 1 0 321.421 2.717 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000357053882 158356533 /nfs/dbraw/zinc/35/65/33/158356533.db2.gz HDPCQJWDCASMJK-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000358382787 158374561 /nfs/dbraw/zinc/37/45/61/158374561.db2.gz OQSQZTNJUHPUHE-QWHCGFSZSA-N 1 0 302.378 2.919 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430590991 296798403 /nfs/dbraw/zinc/79/84/03/296798403.db2.gz DVMGEEWLKXPNQB-CABCVRRESA-N 1 0 319.405 2.708 20 5 DFBDRO C[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000188133058 286875675 /nfs/dbraw/zinc/87/56/75/286875675.db2.gz MXLHLTJLAKDUEY-NSHDSACASA-N 1 0 308.769 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3=CCCOC3)CC2)cc1 ZINC000130739981 196105482 /nfs/dbraw/zinc/10/54/82/196105482.db2.gz RQLZKDLCLFXEHA-UHFFFAOYSA-N 1 0 318.373 2.785 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000131503669 196175667 /nfs/dbraw/zinc/17/56/67/196175667.db2.gz CLOQRYNCLUJMHW-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000132211552 196234935 /nfs/dbraw/zinc/23/49/35/196234935.db2.gz JXGMSTPJJHBQTO-GJZGRUSLSA-N 1 0 300.362 2.717 20 5 DFBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000132323337 196245061 /nfs/dbraw/zinc/24/50/61/196245061.db2.gz LDQOZVNBECWMJA-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000134083504 196360415 /nfs/dbraw/zinc/36/04/15/196360415.db2.gz LQZNPWZWNXHMGT-SOUVJXGZSA-N 1 0 321.421 2.663 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000054779408 425891372 /nfs/dbraw/zinc/89/13/72/425891372.db2.gz CUOACFFTVDJHKV-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296680956 226115908 /nfs/dbraw/zinc/11/59/08/226115908.db2.gz IGZVPSGJTSRVFI-BBRMVZONSA-N 1 0 316.357 2.685 20 5 DFBDRO COCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000290951228 222025566 /nfs/dbraw/zinc/02/55/66/222025566.db2.gz MBBMSAHLVQIACQ-UHFFFAOYSA-N 1 0 311.357 2.565 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291160998 222183024 /nfs/dbraw/zinc/18/30/24/222183024.db2.gz CLGXSPRFBAAFNB-GOSISDBHSA-N 1 0 312.369 2.731 20 5 DFBDRO CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291185066 222204174 /nfs/dbraw/zinc/20/41/74/222204174.db2.gz OPZVYTVXHHEHAS-INIZCTEOSA-N 1 0 323.368 2.770 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)C ZINC000291326482 222313724 /nfs/dbraw/zinc/31/37/24/222313724.db2.gz VHKQFWLRRYGUAU-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000291549349 222460115 /nfs/dbraw/zinc/46/01/15/222460115.db2.gz MQJMBZLSQBIOLY-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO C[NH+](C)CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299349972 229065762 /nfs/dbraw/zinc/06/57/62/229065762.db2.gz QXOZZSVMDUYKPW-UHFFFAOYSA-N 1 0 314.773 2.712 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000055406525 425893616 /nfs/dbraw/zinc/89/36/16/425893616.db2.gz QGNGAPLMHJYTQB-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063308418 425900402 /nfs/dbraw/zinc/90/04/02/425900402.db2.gz OYUNLNHTJGFJAF-CYBMUJFWSA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000063465572 425900659 /nfs/dbraw/zinc/90/06/59/425900659.db2.gz QQVFNKAPLHAQTE-UHFFFAOYSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000063308972 425900682 /nfs/dbraw/zinc/90/06/82/425900682.db2.gz MCMHUYVXQPKBML-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO CCNC(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102419942 425921482 /nfs/dbraw/zinc/92/14/82/425921482.db2.gz IOHCFPZKYNAOGK-UHFFFAOYSA-N 1 0 319.386 2.549 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000124444230 425920106 /nfs/dbraw/zinc/92/01/06/425920106.db2.gz ZLMVAXYRIGZMGP-AWEZNQCLSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000068830262 425922147 /nfs/dbraw/zinc/92/21/47/425922147.db2.gz ZCEKPKABZUTWDY-ZDUSSCGKSA-N 1 0 317.389 2.606 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000102758823 425927107 /nfs/dbraw/zinc/92/71/07/425927107.db2.gz FUKIGFQUDUZOSX-UHFFFAOYSA-N 1 0 307.394 2.837 20 5 DFBDRO CC(C)(CNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000069296963 425934797 /nfs/dbraw/zinc/93/47/97/425934797.db2.gz GLDBRUXXWKLIEK-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007386154 425642850 /nfs/dbraw/zinc/64/28/50/425642850.db2.gz LKFVOBLZFLHFEG-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811838 425652938 /nfs/dbraw/zinc/65/29/38/425652938.db2.gz GSLZANHCJZWLMX-VXGBXAGGSA-N 1 0 305.378 2.820 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000186450806 267817423 /nfs/dbraw/zinc/81/74/23/267817423.db2.gz MGSNOVAEOVFOLA-JSGCOSHPSA-N 1 0 321.377 2.785 20 5 DFBDRO CO[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000190949440 267981025 /nfs/dbraw/zinc/98/10/25/267981025.db2.gz WNBIANPJIIIAHF-JQWIXIFHSA-N 1 0 316.304 2.853 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000042537427 425853558 /nfs/dbraw/zinc/85/35/58/425853558.db2.gz GROCSYNAZYLNIX-GFCCVEGCSA-N 1 0 322.409 2.539 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@H]1CCC[NH2+]C1 ZINC000044503213 425856919 /nfs/dbraw/zinc/85/69/19/425856919.db2.gz RNHISYZMPIAACI-VIFPVBQESA-N 1 0 314.183 2.769 20 5 DFBDRO CC[NH+](CC)CCN(CC(C)C)c1ncc([N+](=O)[O-])s1 ZINC000192502182 268038729 /nfs/dbraw/zinc/03/87/29/268038729.db2.gz VYUXKRMMUKWPCD-UHFFFAOYSA-N 1 0 300.428 2.856 20 5 DFBDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193051772 268057935 /nfs/dbraw/zinc/05/79/35/268057935.db2.gz OHPHMOUITYXQFX-MRXNPFEDSA-N 1 0 319.405 2.724 20 5 DFBDRO CC(C)C(=O)NCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193051790 268057939 /nfs/dbraw/zinc/05/79/39/268057939.db2.gz OHPHMOUITYXQFX-INIZCTEOSA-N 1 0 319.405 2.724 20 5 DFBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193214935 268062725 /nfs/dbraw/zinc/06/27/25/268062725.db2.gz SRMKUSPOHVAZBS-INIZCTEOSA-N 1 0 322.405 2.845 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCC2)CC1 ZINC000047322846 425869069 /nfs/dbraw/zinc/86/90/69/425869069.db2.gz LOQMMMHKVMTXOJ-UHFFFAOYSA-N 1 0 318.377 2.687 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195163713 268128339 /nfs/dbraw/zinc/12/83/39/268128339.db2.gz VDACQBKEQRBXNK-IUODEOHRSA-N 1 0 317.389 2.652 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248368747 268165960 /nfs/dbraw/zinc/16/59/60/268165960.db2.gz VNRAAMMKLXKHFW-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C ZINC000263794596 268171498 /nfs/dbraw/zinc/17/14/98/268171498.db2.gz ONKDYOHBIWILJQ-LLVKDONJSA-N 1 0 323.393 2.908 20 5 DFBDRO Cc1nc(N2CCC(CCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000270882651 268230627 /nfs/dbraw/zinc/23/06/27/268230627.db2.gz DZLLOYVDGCQHFV-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO Cc1nccn1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270913586 268234617 /nfs/dbraw/zinc/23/46/17/268234617.db2.gz TVTHTBVWVQFHRV-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO CCc1nn(C)c(NC[C@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000271317796 268248640 /nfs/dbraw/zinc/24/86/40/268248640.db2.gz TZUUIWWDEKVHIC-GFCCVEGCSA-N 1 0 323.422 2.667 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273359949 268254530 /nfs/dbraw/zinc/25/45/30/268254530.db2.gz DYXYWSVGKBTKRG-QMTHXVAHSA-N 1 0 324.356 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277862075 268265311 /nfs/dbraw/zinc/26/53/11/268265311.db2.gz JYVGQACDHUZIRZ-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1nc(NCc2ccc(F)c(C[NH+](C)C)c2)ncc1[N+](=O)[O-] ZINC000297127923 268310001 /nfs/dbraw/zinc/31/00/01/268310001.db2.gz MWIASDZVLHKIKP-UHFFFAOYSA-N 1 0 319.340 2.506 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000298654167 268315898 /nfs/dbraw/zinc/31/58/98/268315898.db2.gz PFNGMJORPXQTMQ-CYBMUJFWSA-N 1 0 319.386 2.689 20 5 DFBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000319329000 268346386 /nfs/dbraw/zinc/34/63/86/268346386.db2.gz MMXKJKSEUHYGBO-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051058560 425882278 /nfs/dbraw/zinc/88/22/78/425882278.db2.gz OGQYUPBBLFHGFG-OAHLLOKOSA-N 1 0 319.405 2.723 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125754599 425989159 /nfs/dbraw/zinc/98/91/59/425989159.db2.gz AOLKJEKWPNEUTE-LBPRGKRZSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125754374 425989261 /nfs/dbraw/zinc/98/92/61/425989261.db2.gz AOLKJEKWPNEUTE-GFCCVEGCSA-N 1 0 321.377 2.664 20 5 DFBDRO CCc1nnc(CN(Cc2ccc([N+](=O)[O-])cc2)C(C)C)o1 ZINC000125764551 425989273 /nfs/dbraw/zinc/98/92/73/425989273.db2.gz LCUZKFWMXDZFOZ-UHFFFAOYSA-N 1 0 304.350 2.951 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000124829040 425939681 /nfs/dbraw/zinc/93/96/81/425939681.db2.gz IHRJJQDIIZQJBU-CYBMUJFWSA-N 1 0 313.357 2.675 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158544873 425944043 /nfs/dbraw/zinc/94/40/43/425944043.db2.gz LJQCJGAHHNUTMV-WFASDCNBSA-N 1 0 307.369 2.650 20 5 DFBDRO CCOc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000336852807 268440716 /nfs/dbraw/zinc/44/07/16/268440716.db2.gz YUMZBGLQCIEOOD-ONXXMXGDSA-N 1 0 305.378 2.713 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000161879173 426043359 /nfs/dbraw/zinc/04/33/59/426043359.db2.gz WVSMCWAMRMPQQG-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111297896 426044915 /nfs/dbraw/zinc/04/49/15/426044915.db2.gz OJQWVULRRIMTNF-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162670915 426072181 /nfs/dbraw/zinc/07/21/81/426072181.db2.gz ZQVPIQHOUKZWQS-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000162471265 426066049 /nfs/dbraw/zinc/06/60/49/426066049.db2.gz DCXOVOOQNMPVCO-NEPJUHHUSA-N 1 0 312.391 2.868 20 5 DFBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162508077 426067582 /nfs/dbraw/zinc/06/75/82/426067582.db2.gz IKIZPLQZFBFGHU-GJZGRUSLSA-N 1 0 307.394 2.561 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CN2CCSCC2)c1 ZINC000126239383 426011479 /nfs/dbraw/zinc/01/14/79/426011479.db2.gz WPRUUHKURXKLAO-UHFFFAOYSA-N 1 0 304.318 2.745 20 5 DFBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000108364297 426013717 /nfs/dbraw/zinc/01/37/17/426013717.db2.gz PZHAQOWYKUBVJK-MRXNPFEDSA-N 1 0 322.405 2.988 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163120140 426090648 /nfs/dbraw/zinc/09/06/48/426090648.db2.gz SXULAUKJIIZIOL-CHWSQXEVSA-N 1 0 320.393 2.850 20 5 DFBDRO CCC[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000337908277 268574260 /nfs/dbraw/zinc/57/42/60/268574260.db2.gz FKTFJZVAYDJGCO-UHFFFAOYSA-N 1 0 314.389 2.983 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128497784 426120356 /nfs/dbraw/zinc/12/03/56/426120356.db2.gz KBHJWAWUTKZMDJ-UHFFFAOYSA-N 1 0 309.341 2.937 20 5 DFBDRO O=c1[nH]c2ccccc2cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000077220974 426123593 /nfs/dbraw/zinc/12/35/93/426123593.db2.gz NKTRWCZCJFKVEF-UHFFFAOYSA-N 1 0 309.325 2.726 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000112532145 426081408 /nfs/dbraw/zinc/08/14/08/426081408.db2.gz HNJWHIKFIWIIMC-ZJUUUORDSA-N 1 0 320.374 2.729 20 5 DFBDRO Cc1noc([C@@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000171631580 426201293 /nfs/dbraw/zinc/20/12/93/426201293.db2.gz YXHXEMVETKQIEQ-LLVKDONJSA-N 1 0 320.324 2.805 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC1(C)C ZINC000170872831 426156465 /nfs/dbraw/zinc/15/64/65/426156465.db2.gz XVVUUVHZAKBSNH-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC3(CCCCC3)C2)c1 ZINC000079504705 426194581 /nfs/dbraw/zinc/19/45/81/426194581.db2.gz FZOCIOFNMHYCDY-UHFFFAOYSA-N 1 0 310.423 2.543 20 5 DFBDRO COCC[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000172071452 426222764 /nfs/dbraw/zinc/22/27/64/426222764.db2.gz FNMBCVNYCCLLNG-MRXNPFEDSA-N 1 0 310.394 2.595 20 5 DFBDRO Cc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000118787492 426244095 /nfs/dbraw/zinc/24/40/95/426244095.db2.gz CVUCBVCVZDPDHT-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@@H]([NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000174345069 426254310 /nfs/dbraw/zinc/25/43/10/426254310.db2.gz JNTNZKHZWFMYBV-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150753750 426260801 /nfs/dbraw/zinc/26/08/01/426260801.db2.gz SXYMTXGGSRHTFB-OAHLLOKOSA-N 1 0 317.389 2.685 20 5 DFBDRO CC(C)C[C@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000087329834 426270881 /nfs/dbraw/zinc/27/08/81/426270881.db2.gz NIYLMYOLYVQTLM-MRXNPFEDSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117333569 426211372 /nfs/dbraw/zinc/21/13/72/426211372.db2.gz OVHLEPTYJJBHMF-GFCCVEGCSA-N 1 0 319.361 2.767 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000080643230 426215634 /nfs/dbraw/zinc/21/56/34/426215634.db2.gz RLILVYVRQFDUCF-HOCLYGCPSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000089728667 426304542 /nfs/dbraw/zinc/30/45/42/426304542.db2.gz QUPOTAMKHVDKLH-JSGCOSHPSA-N 1 0 305.378 2.563 20 5 DFBDRO C[N@H+](CCC1CCCCC1)CCn1cc([N+](=O)[O-])ccc1=O ZINC000090524685 426327437 /nfs/dbraw/zinc/32/74/37/426327437.db2.gz MDUNQKKVMARUQR-UHFFFAOYSA-N 1 0 307.394 2.659 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000121229629 426328202 /nfs/dbraw/zinc/32/82/02/426328202.db2.gz MIJLXEPKRAAWCS-LBPRGKRZSA-N 1 0 313.357 2.853 20 5 DFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)(C)C ZINC000090552453 426328382 /nfs/dbraw/zinc/32/83/82/426328382.db2.gz KXWIFOYQOXDXKZ-UHFFFAOYSA-N 1 0 309.410 2.761 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000175861539 426334165 /nfs/dbraw/zinc/33/41/65/426334165.db2.gz OZZHIMCZGZGAEE-CQSZACIVSA-N 1 0 321.402 2.825 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000175089110 426279002 /nfs/dbraw/zinc/27/90/02/426279002.db2.gz ASQMYAVBUPXIJP-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO CSC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000153675934 426398867 /nfs/dbraw/zinc/39/88/67/426398867.db2.gz DIJKNFLCCUHANJ-DOMZBBRYSA-N 1 0 312.435 2.620 20 5 DFBDRO CSC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000153676044 426399347 /nfs/dbraw/zinc/39/93/47/426399347.db2.gz DIJKNFLCCUHANJ-SWLSCSKDSA-N 1 0 312.435 2.620 20 5 DFBDRO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122131138 426360284 /nfs/dbraw/zinc/36/02/84/426360284.db2.gz PVNIWKMZHDQRRK-LBPRGKRZSA-N 1 0 321.377 2.866 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000094125349 426360909 /nfs/dbraw/zinc/36/09/09/426360909.db2.gz XEQCIXBJTSHUET-AWEZNQCLSA-N 1 0 319.405 2.592 20 5 DFBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176228229 426362200 /nfs/dbraw/zinc/36/22/00/426362200.db2.gz QHNFLCYXULOSAH-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3cccs3)CC2)n1 ZINC000176248695 426363178 /nfs/dbraw/zinc/36/31/78/426363178.db2.gz YRPKLNPVTUQRIH-UHFFFAOYSA-N 1 0 304.375 2.642 20 5 DFBDRO Cc1ccc(C[C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176250945 426364647 /nfs/dbraw/zinc/36/46/47/426364647.db2.gz YOIQHWKQHUFWSU-AWEZNQCLSA-N 1 0 302.378 2.663 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153146397 426372964 /nfs/dbraw/zinc/37/29/64/426372964.db2.gz OHFQWOLSTSQCFS-NSHDSACASA-N 1 0 304.350 2.578 20 5 DFBDRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)cc([N+](=O)[O-])c1 ZINC000122409352 426373819 /nfs/dbraw/zinc/37/38/19/426373819.db2.gz UNQIXWPJUYEZLL-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3C[C@H]4CCC[C@@H]4C3)n2)c1 ZINC000153271627 426378362 /nfs/dbraw/zinc/37/83/62/426378362.db2.gz HIHIBKHZYJLPPD-CHWSQXEVSA-N 1 0 314.345 2.877 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)n2)cc1 ZINC000153273162 426378614 /nfs/dbraw/zinc/37/86/14/426378614.db2.gz NJQNWFJSNRUHNW-BETUJISGSA-N 1 0 314.345 2.877 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153901731 426413130 /nfs/dbraw/zinc/41/31/30/426413130.db2.gz AFOLAZREOJVJFS-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(CCC3)C2)c2c(c1)COCO2 ZINC000123264529 426423969 /nfs/dbraw/zinc/42/39/69/426423969.db2.gz HLDDXNNUUMZZTH-UHFFFAOYSA-N 1 0 304.346 2.837 20 5 DFBDRO C[N@H+](CCc1cccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154377988 426437639 /nfs/dbraw/zinc/43/76/39/426437639.db2.gz GQWNHFCGPHZTIT-HNNXBMFYSA-N 1 0 306.387 2.864 20 5 DFBDRO CN1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154520494 426443337 /nfs/dbraw/zinc/44/33/37/426443337.db2.gz LUPQONSVDYBHNA-HOTGVXAUSA-N 1 0 303.406 2.600 20 5 DFBDRO COc1cccc(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000341178166 269053620 /nfs/dbraw/zinc/05/36/20/269053620.db2.gz BQTJSSNSAKNQFI-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cnn(C)c1 ZINC000101730303 426486102 /nfs/dbraw/zinc/48/61/02/426486102.db2.gz OTQABAVRPONWBW-UHFFFAOYSA-N 1 0 318.377 2.619 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000102069506 426487838 /nfs/dbraw/zinc/48/78/38/426487838.db2.gz GKKTUZZGNRIOKC-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000186394399 426518281 /nfs/dbraw/zinc/51/82/81/426518281.db2.gz OIHBZLRZQKWXGU-HOTGVXAUSA-N 1 0 320.389 2.659 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280288043 426541533 /nfs/dbraw/zinc/54/15/33/426541533.db2.gz DYGMWMNYBABISV-HZPDHXFCSA-N 1 0 308.378 2.519 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186518198 426542134 /nfs/dbraw/zinc/54/21/34/426542134.db2.gz WWRLJJZGKZDMPA-NSHDSACASA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177531575 426492995 /nfs/dbraw/zinc/49/29/95/426492995.db2.gz ARJUMKFWTNGBDW-UKRRQHHQSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177533756 426493408 /nfs/dbraw/zinc/49/34/08/426493408.db2.gz OGUJFHJDWOZXGB-OLZOCXBDSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000280413709 426570610 /nfs/dbraw/zinc/57/06/10/426570610.db2.gz YRUDELPRTVFYEW-QGZVFWFLSA-N 1 0 320.389 2.673 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280636595 426621003 /nfs/dbraw/zinc/62/10/03/426621003.db2.gz XUZVHJYTABJHAC-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000222087114 426581992 /nfs/dbraw/zinc/58/19/92/426581992.db2.gz UUODUQRARRXAJH-GFCCVEGCSA-N 1 0 323.393 2.988 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000222623313 426583361 /nfs/dbraw/zinc/58/33/61/426583361.db2.gz SNADPZUHTUQSRR-NEPJUHHUSA-N 1 0 306.284 2.949 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000222623377 426584305 /nfs/dbraw/zinc/58/43/05/426584305.db2.gz SNADPZUHTUQSRR-RYUDHWBXSA-N 1 0 306.284 2.949 20 5 DFBDRO C[C@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273067884 426587573 /nfs/dbraw/zinc/58/75/73/426587573.db2.gz NTJRSPXFOLYYEM-CVEARBPZSA-N 1 0 306.362 2.521 20 5 DFBDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000273086427 426590218 /nfs/dbraw/zinc/59/02/18/426590218.db2.gz RQUKOVUBZOHQPH-OLZOCXBDSA-N 1 0 308.378 2.898 20 5 DFBDRO COCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273274950 426631492 /nfs/dbraw/zinc/63/14/92/426631492.db2.gz MXARQNOKMPFGGW-HUUCEWRRSA-N 1 0 320.345 2.589 20 5 DFBDRO CC[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000227714507 426631493 /nfs/dbraw/zinc/63/14/93/426631493.db2.gz LNVMOPITHVIVEM-ZDUSSCGKSA-N 1 0 323.393 2.988 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000273383183 426654523 /nfs/dbraw/zinc/65/45/23/426654523.db2.gz CHOVKTCBGVQMKF-AWEZNQCLSA-N 1 0 315.377 2.709 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280793080 426656590 /nfs/dbraw/zinc/65/65/90/426656590.db2.gz UVZKFZGAIMTPIJ-GFCCVEGCSA-N 1 0 305.378 2.575 20 5 DFBDRO CCC[C@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273412557 426659644 /nfs/dbraw/zinc/65/96/44/426659644.db2.gz ICNGKPDRAGOXSG-LBPRGKRZSA-N 1 0 314.407 2.537 20 5 DFBDRO Cc1cc(N2CCC[C@@H]2C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235837246 426659751 /nfs/dbraw/zinc/65/97/51/426659751.db2.gz ABWFHHCUIYNHTR-SECBINFHSA-N 1 0 314.183 2.593 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3(CO)CCC3)cs2)c1 ZINC000178637307 426668489 /nfs/dbraw/zinc/66/84/89/426668489.db2.gz ACQPWXZNWBEODA-UHFFFAOYSA-N 1 0 319.386 2.723 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280850580 426669825 /nfs/dbraw/zinc/66/98/25/426669825.db2.gz BNJJIMZDHTWCTI-JSGCOSHPSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CC3(C2)CCCCC3)c1 ZINC000273462204 426670030 /nfs/dbraw/zinc/67/00/30/426670030.db2.gz BPCKBEZURPCBDX-OAHLLOKOSA-N 1 0 320.389 2.601 20 5 DFBDRO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178638913 426670131 /nfs/dbraw/zinc/67/01/31/426670131.db2.gz JEKKJMFXTIDGEP-APHBMKBZSA-N 1 0 317.389 2.868 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000273487669 426672383 /nfs/dbraw/zinc/67/23/83/426672383.db2.gz VYVZHSOTNZOYBO-OAHLLOKOSA-N 1 0 318.373 2.678 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000178682869 426675220 /nfs/dbraw/zinc/67/52/20/426675220.db2.gz SDJMJKBFNCMKJI-QWHCGFSZSA-N 1 0 307.394 2.809 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273505966 426676809 /nfs/dbraw/zinc/67/68/09/426676809.db2.gz WDTFPUVQKHGWBL-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000226649000 426622303 /nfs/dbraw/zinc/62/23/03/426622303.db2.gz CFNWWZCXTCQCBP-CYBMUJFWSA-N 1 0 321.377 2.694 20 5 DFBDRO Cc1c[nH+]ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000178420184 426626710 /nfs/dbraw/zinc/62/67/10/426626710.db2.gz CEYHRMRCYKYCDE-UHFFFAOYSA-N 1 0 321.358 2.716 20 5 DFBDRO Cc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccn1 ZINC000178420173 426627385 /nfs/dbraw/zinc/62/73/85/426627385.db2.gz ZOQDMJFDPJERMV-UHFFFAOYSA-N 1 0 321.358 2.716 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000227685934 426628427 /nfs/dbraw/zinc/62/84/27/426628427.db2.gz WMZDWXZOLJKZBL-LBPRGKRZSA-N 1 0 323.393 2.906 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000289328806 426629811 /nfs/dbraw/zinc/62/98/11/426629811.db2.gz GMYLSVNWRHEYEM-UHFFFAOYSA-N 1 0 312.373 2.926 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227759090 426630448 /nfs/dbraw/zinc/63/04/48/426630448.db2.gz XBCRRAQRVHSUCE-SNVBAGLBSA-N 1 0 314.183 2.863 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000178762672 426691137 /nfs/dbraw/zinc/69/11/37/426691137.db2.gz OIIXDKPKSIFJKL-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273647771 426701327 /nfs/dbraw/zinc/70/13/27/426701327.db2.gz UAFWYQUUKBGWCL-HNNXBMFYSA-N 1 0 315.377 2.880 20 5 DFBDRO COc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518353 426783185 /nfs/dbraw/zinc/78/31/85/426783185.db2.gz CBKUDNNKNXAIFF-MNOVXSKESA-N 1 0 321.377 2.649 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245438980 426738894 /nfs/dbraw/zinc/73/88/94/426738894.db2.gz SLOOEYZOKYDMDF-SWLSCSKDSA-N 1 0 309.385 2.896 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000290336908 426745525 /nfs/dbraw/zinc/74/55/25/426745525.db2.gz JJPNNCBLOBIUHW-CYBMUJFWSA-N 1 0 317.389 2.709 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245537823 426747788 /nfs/dbraw/zinc/74/77/88/426747788.db2.gz YSJLLRPIZIOLBW-UKRRQHHQSA-N 1 0 315.377 2.893 20 5 DFBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942644 426800460 /nfs/dbraw/zinc/80/04/60/426800460.db2.gz QIDQBPCSLFGKMN-GOEBONIOSA-N 1 0 314.389 2.744 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N(C)CC1CC[NH+](C)CC1 ZINC000266949476 426801733 /nfs/dbraw/zinc/80/17/33/426801733.db2.gz DREVUIOBTJWACF-UHFFFAOYSA-N 1 0 307.394 2.519 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000290857070 426857032 /nfs/dbraw/zinc/85/70/32/426857032.db2.gz YCGMELRPOYDXET-PWSUYJOCSA-N 1 0 303.362 2.835 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188929978 426803689 /nfs/dbraw/zinc/80/36/89/426803689.db2.gz WHVCGIULGQINQM-AWEZNQCLSA-N 1 0 319.405 2.932 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000188984922 426807652 /nfs/dbraw/zinc/80/76/52/426807652.db2.gz NGMBTNIIEIDZEI-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO COC[C@@](C)([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000274679525 426817014 /nfs/dbraw/zinc/81/70/14/426817014.db2.gz HVCROJZUBBLRKU-NSHDSACASA-N 1 0 308.165 2.677 20 5 DFBDRO CC(=O)c1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764910 426833782 /nfs/dbraw/zinc/83/37/82/426833782.db2.gz KNTQNMAUARZJNP-ZWNOBZJWSA-N 1 0 303.362 2.835 20 5 DFBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267173060 426837788 /nfs/dbraw/zinc/83/77/88/426837788.db2.gz IKDKFOXMPVVXJE-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO C[C@@H]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@@H+]1C1CC1 ZINC000290785754 426839739 /nfs/dbraw/zinc/83/97/39/426839739.db2.gz NQXIZUQOSALYNL-MNOVXSKESA-N 1 0 302.378 2.600 20 5 DFBDRO COc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800020 426840611 /nfs/dbraw/zinc/84/06/11/426840611.db2.gz POPBYVFNBLHRLU-ZJUUUORDSA-N 1 0 309.341 2.780 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccc([N+](=O)[O-])c2ccccc12)C1CC1 ZINC000290818607 426847957 /nfs/dbraw/zinc/84/79/57/426847957.db2.gz SEPKHVWXAAFJEB-CYBMUJFWSA-N 1 0 316.357 2.582 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290860481 426856133 /nfs/dbraw/zinc/85/61/33/426856133.db2.gz INNUKBOUCVUJEM-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246063380 426795722 /nfs/dbraw/zinc/79/57/22/426795722.db2.gz ZKXWNXYGWZABRH-ZENOOKHLSA-N 1 0 317.389 2.678 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247201009 426914338 /nfs/dbraw/zinc/91/43/38/426914338.db2.gz OZZZLPBTEWYWMJ-SWLSCSKDSA-N 1 0 301.350 2.584 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280929 426862636 /nfs/dbraw/zinc/86/26/36/426862636.db2.gz OUQMYMZNIAHNMC-HUUCEWRRSA-N 1 0 317.389 2.860 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246847320 426873303 /nfs/dbraw/zinc/87/33/03/426873303.db2.gz QZNZAIXECNWOFZ-STQMWFEESA-N 1 0 320.393 2.850 20 5 DFBDRO O=C(CC[N@@H+]1CCCC2(CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000189588580 426899645 /nfs/dbraw/zinc/89/96/45/426899645.db2.gz PNHQGEIWNIFYFZ-UHFFFAOYSA-N 1 0 321.352 2.939 20 5 DFBDRO C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCC1 ZINC000317103390 426955940 /nfs/dbraw/zinc/95/59/40/426955940.db2.gz PKCLKIKYUKSEDF-LLVKDONJSA-N 1 0 303.366 2.615 20 5 DFBDRO C[C@](O)(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189845811 426964135 /nfs/dbraw/zinc/96/41/35/426964135.db2.gz UUPPQUBNJVSGMT-KRWDZBQOSA-N 1 0 300.358 2.982 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000181637029 426969327 /nfs/dbraw/zinc/96/93/27/426969327.db2.gz VGHOGRRGOLTEPY-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247979741 426971318 /nfs/dbraw/zinc/97/13/18/426971318.db2.gz METBXPYQLQSEFP-QLFBSQMISA-N 1 0 321.421 2.745 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000181695346 426976627 /nfs/dbraw/zinc/97/66/27/426976627.db2.gz WQAZNABRQVADOH-GJZGRUSLSA-N 1 0 308.378 2.897 20 5 DFBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(=O)OC ZINC000283254683 426982910 /nfs/dbraw/zinc/98/29/10/426982910.db2.gz VQNAGWVMXBLUQG-UHFFFAOYSA-N 1 0 312.341 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248343197 426990234 /nfs/dbraw/zinc/99/02/34/426990234.db2.gz KAHTVVZBYJFVQW-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268145414 426927262 /nfs/dbraw/zinc/92/72/62/426927262.db2.gz KGQXQWFPZIKLMH-UHFFFAOYSA-N 1 0 311.357 2.586 20 5 DFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000275841833 426931602 /nfs/dbraw/zinc/93/16/02/426931602.db2.gz MPFTYBQSGGERGG-UHFFFAOYSA-N 1 0 303.318 2.544 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248495625 427007668 /nfs/dbraw/zinc/00/76/68/427007668.db2.gz QKQRYPSGHVYWBA-AGIUHOORSA-N 1 0 305.378 2.948 20 5 DFBDRO CCOC(CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OCC ZINC000276230275 427013159 /nfs/dbraw/zinc/01/31/59/427013159.db2.gz OMUWMAYIRBFESX-VQHVLOKHSA-N 1 0 308.378 2.987 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000283461702 427018411 /nfs/dbraw/zinc/01/84/11/427018411.db2.gz VLKZFZLKFHQURF-LSDHHAIUSA-N 1 0 317.389 2.837 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cccc1[N+](=O)[O-] ZINC000283488240 427022923 /nfs/dbraw/zinc/02/29/23/427022923.db2.gz XRXDFCTVGMZKJQ-IUODEOHRSA-N 1 0 317.389 2.755 20 5 DFBDRO CCOc1cc(C[N@H+](C(C)C)[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000291940689 427033889 /nfs/dbraw/zinc/03/38/89/427033889.db2.gz UCTBIPXLBNBXFK-AWEZNQCLSA-N 1 0 308.378 2.993 20 5 DFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248832225 427046986 /nfs/dbraw/zinc/04/69/86/427046986.db2.gz HTXJLEOGADBMHO-NZVBXONLSA-N 1 0 310.419 2.674 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000276367083 427047633 /nfs/dbraw/zinc/04/76/33/427047633.db2.gz NSDDJZPHJIZDRO-UHFFFAOYSA-N 1 0 312.345 2.539 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000276436017 427068520 /nfs/dbraw/zinc/06/85/20/427068520.db2.gz QPGGMAFKUPJAGP-FRRDWIJNSA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)[nH+]1 ZINC000190323390 427073080 /nfs/dbraw/zinc/07/30/80/427073080.db2.gz CYHQWHRUXDLHCZ-NSHDSACASA-N 1 0 319.390 2.693 20 5 DFBDRO COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458051 427073304 /nfs/dbraw/zinc/07/33/04/427073304.db2.gz QHBBFLLGGRWQDX-DGFSRKRXSA-N 1 0 322.336 2.507 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000276492681 427081641 /nfs/dbraw/zinc/08/16/41/427081641.db2.gz QGBJYWDGNJCNRP-GFCCVEGCSA-N 1 0 304.375 2.738 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[C@H](Oc3ccccn3)C2)cs1 ZINC000268689794 427089990 /nfs/dbraw/zinc/08/99/90/427089990.db2.gz OOPFVZOPKDWAPU-LBPRGKRZSA-N 1 0 305.359 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000296178157 427103661 /nfs/dbraw/zinc/10/36/61/427103661.db2.gz ZXQBDRDIXBZTAE-UHFFFAOYSA-N 1 0 320.349 2.932 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000249409945 427113277 /nfs/dbraw/zinc/11/32/77/427113277.db2.gz XTWZRPZSRRVRIB-LNSITVRQSA-N 1 0 305.378 2.598 20 5 DFBDRO COC[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284023345 427117169 /nfs/dbraw/zinc/11/71/69/427117169.db2.gz KXKNCCOWLATTBL-SNVBAGLBSA-N 1 0 300.305 2.731 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284036192 427120743 /nfs/dbraw/zinc/12/07/43/427120743.db2.gz JOJYFQJLSVUPCQ-LKFCYVNXSA-N 1 0 307.375 2.623 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000296338191 427152151 /nfs/dbraw/zinc/15/21/51/427152151.db2.gz RDDGWRRLIKKBEW-VCTAVGKDSA-N 1 0 324.352 2.646 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCn2ccnc2)C2CC2)c1 ZINC000182867463 427159348 /nfs/dbraw/zinc/15/93/48/427159348.db2.gz PDWNVHLSPYQCRG-UHFFFAOYSA-N 1 0 300.362 2.846 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@H](C)C1 ZINC000171694187 271106151 /nfs/dbraw/zinc/10/61/51/271106151.db2.gz HFCBQFGZHZIWHI-GFCCVEGCSA-N 1 0 323.418 2.669 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000174171757 271131180 /nfs/dbraw/zinc/13/11/80/271131180.db2.gz DLDWCWXTNDDETN-JCVNQNCUSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000175034492 271144617 /nfs/dbraw/zinc/14/46/17/271144617.db2.gz VHNSCIZZVOVJPT-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])cn2)ccc1F ZINC000265206341 271279067 /nfs/dbraw/zinc/27/90/67/271279067.db2.gz KTCBXWBKEZSXPF-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO COC[C@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000270533286 271304604 /nfs/dbraw/zinc/30/46/04/271304604.db2.gz FWSQQGZTOUNZPQ-LBPRGKRZSA-N 1 0 317.345 2.718 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000280912400 271326959 /nfs/dbraw/zinc/32/69/59/271326959.db2.gz PEACEWFXSZJJOH-QEJZJMRPSA-N 1 0 320.389 2.705 20 5 DFBDRO CC(=O)c1cc(NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000286161688 271343757 /nfs/dbraw/zinc/34/37/57/271343757.db2.gz CEKVAWGCRBKMIU-LBPRGKRZSA-N 1 0 305.378 2.941 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)CC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000190792623 427182019 /nfs/dbraw/zinc/18/20/19/427182019.db2.gz FRBOCZYAKUUWTM-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277373583 427182701 /nfs/dbraw/zinc/18/27/01/427182701.db2.gz XULASSSGCCBJLG-GFCCVEGCSA-N 1 0 318.377 2.652 20 5 DFBDRO C[N@@H+]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000269380900 427183924 /nfs/dbraw/zinc/18/39/24/427183924.db2.gz XKJCYXWTAGQWKT-UHFFFAOYSA-N 1 0 315.373 2.992 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183050160 427191007 /nfs/dbraw/zinc/19/10/07/427191007.db2.gz QBGDBGFGLLTIDY-WDEREUQCSA-N 1 0 309.366 2.566 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](C(C)C)C(C)C ZINC000183045513 427191711 /nfs/dbraw/zinc/19/17/11/427191711.db2.gz NGBKMMHOGQYJAX-UHFFFAOYSA-N 1 0 309.366 2.661 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292710023 427197188 /nfs/dbraw/zinc/19/71/88/427197188.db2.gz GSXYOHPYJZCGDQ-CQSZACIVSA-N 1 0 310.785 2.565 20 5 DFBDRO COCCCOCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183092115 427198163 /nfs/dbraw/zinc/19/81/63/427198163.db2.gz WQCPAHZUUSGWAR-AWEZNQCLSA-N 1 0 310.394 2.949 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCN(c2ccccn2)C1 ZINC000269835885 427285637 /nfs/dbraw/zinc/28/56/37/427285637.db2.gz AOTSJIPFCVKDOZ-NSHDSACASA-N 1 0 302.309 2.820 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394146 427220269 /nfs/dbraw/zinc/22/02/69/427220269.db2.gz WWMKHZZDZFBICN-AAEUAGOBSA-N 1 0 305.378 2.929 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000285400930 427221991 /nfs/dbraw/zinc/22/19/91/427221991.db2.gz DYPOWWBXXLKSBA-CGZBRXJRSA-N 1 0 320.389 2.519 20 5 DFBDRO C[C@H](COCC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285409720 427224807 /nfs/dbraw/zinc/22/48/07/427224807.db2.gz XRCHIQRONBVFCU-RKDXNWHRSA-N 1 0 321.299 2.795 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435950 427229196 /nfs/dbraw/zinc/22/91/96/427229196.db2.gz HZKQQTAOEODNQK-PBWFPOADSA-N 1 0 307.369 2.791 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H](O)Cc1ccccc1 ZINC000293168655 427235243 /nfs/dbraw/zinc/23/52/43/427235243.db2.gz CUEOADBEMCOIAQ-OAHLLOKOSA-N 1 0 318.348 2.769 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183284705 427239163 /nfs/dbraw/zinc/23/91/63/427239163.db2.gz JBAZZNUDJBHZGY-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000338295844 427241545 /nfs/dbraw/zinc/24/15/45/427241545.db2.gz ICPMOUFLISNHLC-VHSXEESVSA-N 1 0 314.769 2.926 20 5 DFBDRO Cc1ccc(CN[C@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285488659 427245388 /nfs/dbraw/zinc/24/53/88/427245388.db2.gz LWMDCCCBMMCPJX-AWEZNQCLSA-N 1 0 303.366 2.519 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686252 427249590 /nfs/dbraw/zinc/24/95/90/427249590.db2.gz ZXOKVEYLEJFDTL-LSDHHAIUSA-N 1 0 310.419 2.702 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000293225633 427251814 /nfs/dbraw/zinc/25/18/14/427251814.db2.gz YYYRDIPJVBANFT-WBMJQRKESA-N 1 0 308.378 2.634 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@](C)(COC)C2)ccc1[N+](=O)[O-] ZINC000296875347 427260403 /nfs/dbraw/zinc/26/04/03/427260403.db2.gz UVBKXXVMXUDKIO-MRXNPFEDSA-N 1 0 308.378 2.852 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3(O)CCCC3)CC2)cc1 ZINC000330559498 427265258 /nfs/dbraw/zinc/26/52/58/427265258.db2.gz ATAXPLQUDAQECM-UHFFFAOYSA-N 1 0 320.389 2.743 20 5 DFBDRO CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293269449 427268449 /nfs/dbraw/zinc/26/84/49/427268449.db2.gz UUHXCCZNJJJBKD-CYBMUJFWSA-N 1 0 305.378 2.541 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613823 427275300 /nfs/dbraw/zinc/27/53/00/427275300.db2.gz RPHWUPZIJDADGO-DZGCQCFKSA-N 1 0 321.421 2.908 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccccc1 ZINC000285569252 427276441 /nfs/dbraw/zinc/27/64/41/427276441.db2.gz JPXNSRKQFHVHON-INIZCTEOSA-N 1 0 300.362 2.892 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000191327278 427321265 /nfs/dbraw/zinc/32/12/65/427321265.db2.gz OIPXEUVLXXAYII-CYBMUJFWSA-N 1 0 320.393 2.627 20 5 DFBDRO Nc1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000285737774 427321705 /nfs/dbraw/zinc/32/17/05/427321705.db2.gz TWDLPMVVDPFVDR-HNNXBMFYSA-N 1 0 312.373 2.863 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000331102964 427345776 /nfs/dbraw/zinc/34/57/76/427345776.db2.gz FESGYVVHNPJZOI-ZDUSSCGKSA-N 1 0 319.405 2.640 20 5 DFBDRO COCC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000330663484 427288644 /nfs/dbraw/zinc/28/86/44/427288644.db2.gz XKDHEHWGVCJXJV-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285626756 427290973 /nfs/dbraw/zinc/29/09/73/427290973.db2.gz KOSISGHCBPEFCF-SWLSCSKDSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000285621770 427292213 /nfs/dbraw/zinc/29/22/13/427292213.db2.gz JURCTMIMRIIUSG-SGIREYDYSA-N 1 0 319.405 2.939 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000271004656 427371184 /nfs/dbraw/zinc/37/11/84/427371184.db2.gz KWGFWYKVXVBNER-DLBZAZTESA-N 1 0 313.357 2.860 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000277994933 427380098 /nfs/dbraw/zinc/38/00/98/427380098.db2.gz RNGANVIZFLWNAR-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO Cn1nccc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000338562487 427381483 /nfs/dbraw/zinc/38/14/83/427381483.db2.gz DCEDDEMVGOENLA-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262953427 427385224 /nfs/dbraw/zinc/38/52/24/427385224.db2.gz JWPHXDIECMXORK-PJODQICGSA-N 1 0 305.378 2.680 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331262660 427386235 /nfs/dbraw/zinc/38/62/35/427386235.db2.gz MWYPKAQWVLCCDM-AWEZNQCLSA-N 1 0 319.405 2.884 20 5 DFBDRO CC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1 ZINC000293641641 427389602 /nfs/dbraw/zinc/38/96/02/427389602.db2.gz IBLBXSKGKHKKQD-TZMCWYRMSA-N 1 0 306.410 2.702 20 5 DFBDRO CCOc1cccc(N2CC[C@@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000184126611 427398838 /nfs/dbraw/zinc/39/88/38/427398838.db2.gz HXGYPVLVCZZQJT-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338598110 427403852 /nfs/dbraw/zinc/40/38/52/427403852.db2.gz OLWKMZAURGBXOW-SMDDNHRTSA-N 1 0 305.378 2.611 20 5 DFBDRO CCc1nnc(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)[nH]1 ZINC000191686211 427406460 /nfs/dbraw/zinc/40/64/60/427406460.db2.gz MVPVQKRXALRWOH-UHFFFAOYSA-N 1 0 315.377 2.655 20 5 DFBDRO CO[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000293698972 427406834 /nfs/dbraw/zinc/40/68/34/427406834.db2.gz LWSIJFUWXSSWJG-NVXWUHKLSA-N 1 0 304.390 2.931 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690072 427408774 /nfs/dbraw/zinc/40/87/74/427408774.db2.gz KWNSJVFSBREAOI-NEPJUHHUSA-N 1 0 317.393 2.669 20 5 DFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000286226573 427460349 /nfs/dbraw/zinc/46/03/49/427460349.db2.gz UCFQFPJUQPHBDO-GFCCVEGCSA-N 1 0 317.345 2.685 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])cn1 ZINC000286252091 427470271 /nfs/dbraw/zinc/47/02/71/427470271.db2.gz DOGSCIQVBJYQLJ-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO CC(=O)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286277475 427475370 /nfs/dbraw/zinc/47/53/70/427475370.db2.gz GPLKWEFCYNSZEO-NNQSOWQGSA-N 1 0 317.389 2.859 20 5 DFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000331686315 427477623 /nfs/dbraw/zinc/47/76/23/427477623.db2.gz VMZADUXTMCGNKS-NWDGAFQWSA-N 1 0 319.361 2.623 20 5 DFBDRO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000278867668 427482660 /nfs/dbraw/zinc/48/26/60/427482660.db2.gz YZCJRWIGLKNUEX-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000271153784 427420154 /nfs/dbraw/zinc/42/01/54/427420154.db2.gz AMDHOLUCNNPRLJ-CQSZACIVSA-N 1 0 318.373 2.678 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293753349 427426942 /nfs/dbraw/zinc/42/69/42/427426942.db2.gz OHBGHBHCJNLSGA-ZBEGNZNMSA-N 1 0 301.346 2.561 20 5 DFBDRO NC(=O)CCC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000271169026 427427885 /nfs/dbraw/zinc/42/78/85/427427885.db2.gz CZVRXYIAADJIDV-HWKANZROSA-N 1 0 317.389 2.586 20 5 DFBDRO COc1cc(CCNc2cccc(C)[nH+]2)c([N+](=O)[O-])cc1OC ZINC000184555991 427487269 /nfs/dbraw/zinc/48/72/69/427487269.db2.gz VJUKALKRXRPVDW-UHFFFAOYSA-N 1 0 317.345 2.970 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172114 427430990 /nfs/dbraw/zinc/43/09/90/427430990.db2.gz UJUMSGGAWRCHRF-QWHCGFSZSA-N 1 0 309.410 2.984 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)[NH+](C)C ZINC000271171257 427431359 /nfs/dbraw/zinc/43/13/59/427431359.db2.gz ADYULZWGOFGIFZ-UHFFFAOYSA-N 1 0 307.394 2.590 20 5 DFBDRO COc1cc(C[NH2+][C@H](CCO)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184317563 427438072 /nfs/dbraw/zinc/43/80/72/427438072.db2.gz HQMQENHBMWLWKH-CQSZACIVSA-N 1 0 314.357 2.629 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286158988 427440821 /nfs/dbraw/zinc/44/08/21/427440821.db2.gz ONWSGZVPDPEFMY-JTQLQIEISA-N 1 0 321.406 2.886 20 5 DFBDRO CS[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000338697529 427444127 /nfs/dbraw/zinc/44/41/27/427444127.db2.gz FKKURVGBOVIMQB-LSDHHAIUSA-N 1 0 321.446 2.919 20 5 DFBDRO Cc1ccc(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000293810582 427444610 /nfs/dbraw/zinc/44/46/10/427444610.db2.gz FCNCYHAGRRZJJX-QGZVFWFLSA-N 1 0 314.385 2.939 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271200054 427444781 /nfs/dbraw/zinc/44/47/81/427444781.db2.gz ILZTUUGAUHOHSV-INIZCTEOSA-N 1 0 318.348 2.736 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCS2)n1 ZINC000331571256 427446365 /nfs/dbraw/zinc/44/63/65/427446365.db2.gz IQYINFFFHWXEAR-FRRDWIJNSA-N 1 0 310.423 2.760 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338791837 427491903 /nfs/dbraw/zinc/49/19/03/427491903.db2.gz LKENXNPLNCIGHK-FZMZJTMJSA-N 1 0 305.378 2.611 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338794447 427492907 /nfs/dbraw/zinc/49/29/07/427492907.db2.gz POXCSCIOANNZCG-RISCZKNCSA-N 1 0 305.378 2.611 20 5 DFBDRO Nc1ccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323723 427493981 /nfs/dbraw/zinc/49/39/81/427493981.db2.gz UXGRWRBPLWWYAF-SWLSCSKDSA-N 1 0 316.405 2.630 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H](C)[NH+]1C ZINC000338797431 427494963 /nfs/dbraw/zinc/49/49/63/427494963.db2.gz YWFISWCXQKTIMY-NXEZZACHSA-N 1 0 315.320 2.725 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286336985 427497246 /nfs/dbraw/zinc/49/72/46/427497246.db2.gz GHAUCUFYNAAPCZ-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000286343393 427498557 /nfs/dbraw/zinc/49/85/57/427498557.db2.gz KKHWUOSRPDYINF-MNOVXSKESA-N 1 0 319.390 2.638 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287177808 427554558 /nfs/dbraw/zinc/55/45/58/427554558.db2.gz CHUTXIOMTWPBJM-UONOGXRCSA-N 1 0 317.389 2.600 20 5 DFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCCCC[NH+]1CCCC1 ZINC000293961101 427503803 /nfs/dbraw/zinc/50/38/03/427503803.db2.gz PSJSBPOBEVIYKK-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332141816 427522187 /nfs/dbraw/zinc/52/21/87/427522187.db2.gz MKTFCLHOAXZSKI-UHOFOFEASA-N 1 0 317.389 2.868 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332141819 427522361 /nfs/dbraw/zinc/52/23/61/427522361.db2.gz MKTFCLHOAXZSKI-WQVCFCJDSA-N 1 0 317.389 2.868 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294022324 427524349 /nfs/dbraw/zinc/52/43/49/427524349.db2.gz QOZUBWDSHVVUHO-IRBPBCMDSA-N 1 0 317.389 2.549 20 5 DFBDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271419439 427530204 /nfs/dbraw/zinc/53/02/04/427530204.db2.gz BQGVDSBPBALIMV-MLGOLLRUSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000271442561 427538596 /nfs/dbraw/zinc/53/85/96/427538596.db2.gz DONKNIQZMHXVDF-CHWSQXEVSA-N 1 0 305.378 2.563 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000338893300 427543618 /nfs/dbraw/zinc/54/36/18/427543618.db2.gz SZHHBPGYUKEDOS-UHFFFAOYSA-N 1 0 319.361 2.755 20 5 DFBDRO CCc1nc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000271468741 427550613 /nfs/dbraw/zinc/55/06/13/427550613.db2.gz LLHBGMCFAIXKGF-NSHDSACASA-N 1 0 304.350 2.742 20 5 DFBDRO CCn1cnnc1CN[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279091515 427556387 /nfs/dbraw/zinc/55/63/87/427556387.db2.gz NKFDGSNOJVFEIY-AWEZNQCLSA-N 1 0 315.377 2.718 20 5 DFBDRO Cc1noc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000279109847 427563159 /nfs/dbraw/zinc/56/31/59/427563159.db2.gz PBXOEFBWRFLDMH-AWEZNQCLSA-N 1 0 316.361 2.841 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnc1)CCC2 ZINC000192591449 427568209 /nfs/dbraw/zinc/56/82/09/427568209.db2.gz OKKHKBZDRADKCV-INIZCTEOSA-N 1 0 300.362 2.849 20 5 DFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263787882 427571052 /nfs/dbraw/zinc/57/10/52/427571052.db2.gz WRYGWIURLXGYMG-AWEZNQCLSA-N 1 0 319.405 2.723 20 5 DFBDRO CC1(C)CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000332303223 427573578 /nfs/dbraw/zinc/57/35/78/427573578.db2.gz LBUYRNFAUJZKSF-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000287321930 427577442 /nfs/dbraw/zinc/57/74/42/427577442.db2.gz MFINTGWAWBQUSI-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO CCC(CC)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000192698497 427588348 /nfs/dbraw/zinc/58/83/48/427588348.db2.gz BVHSNMNDMQVQOV-SNVBAGLBSA-N 1 0 309.366 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@@H]3CCOC3)CC2)cc1 ZINC000332363403 427591787 /nfs/dbraw/zinc/59/17/87/427591787.db2.gz YAFYQELRKSCBKH-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@]2(O)CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279198046 427592438 /nfs/dbraw/zinc/59/24/38/427592438.db2.gz XBWXLMGDVHSWDW-GDBMZVCRSA-N 1 0 322.430 2.775 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000192713355 427592794 /nfs/dbraw/zinc/59/27/94/427592794.db2.gz LPLKCYAMULBLTO-WMLDXEAASA-N 1 0 321.421 2.746 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263871451 427598093 /nfs/dbraw/zinc/59/80/93/427598093.db2.gz GEWLBTAVWLGZTE-NSHDSACASA-N 1 0 319.361 2.801 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000339012488 427625703 /nfs/dbraw/zinc/62/57/03/427625703.db2.gz WFLLWBNJDHWMTF-MRXNPFEDSA-N 1 0 306.362 2.693 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082022 427625782 /nfs/dbraw/zinc/62/57/82/427625782.db2.gz HJSHPLGJPNDLTG-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[NH+]3CCCCC3)c2)c1 ZINC000272097111 427629960 /nfs/dbraw/zinc/62/99/60/427629960.db2.gz KIWYZUPLWYBDSD-UHFFFAOYSA-N 1 0 300.362 2.944 20 5 DFBDRO C[C@@H](O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373275 427640970 /nfs/dbraw/zinc/64/09/70/427640970.db2.gz BCJJYNLCAPOMAJ-ZJUUUORDSA-N 1 0 318.295 2.816 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279332391 427643798 /nfs/dbraw/zinc/64/37/98/427643798.db2.gz OZGOGMBJQIWXFI-MRXNPFEDSA-N 1 0 308.378 2.994 20 5 DFBDRO Cn1cc([C@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000264110341 427661856 /nfs/dbraw/zinc/66/18/56/427661856.db2.gz SSHSUNJXXYLSHK-CQSZACIVSA-N 1 0 316.361 2.544 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000343280417 272111895 /nfs/dbraw/zinc/11/18/95/272111895.db2.gz FQABIZUUKLWGDF-UHFFFAOYSA-N 1 0 306.410 2.919 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000343321519 272118353 /nfs/dbraw/zinc/11/83/53/272118353.db2.gz LEGCDJVQDBTACS-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000343321523 272118890 /nfs/dbraw/zinc/11/88/90/272118890.db2.gz LEGCDJVQDBTACS-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO CCC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000343393136 272135445 /nfs/dbraw/zinc/13/54/45/272135445.db2.gz XBGMBUROWCRKIU-UHFFFAOYSA-N 1 0 319.361 2.767 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343446127 272148916 /nfs/dbraw/zinc/14/89/16/272148916.db2.gz LWGCXYWMUHLIQP-KGLIPLIRSA-N 1 0 319.405 2.733 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000343463530 272153688 /nfs/dbraw/zinc/15/36/88/272153688.db2.gz UDJJEHJJUYZWFH-GXFFZTMASA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@@H+]1C ZINC000343488395 272158258 /nfs/dbraw/zinc/15/82/58/272158258.db2.gz FQOCOHFKQPRLPN-MFKMUULPSA-N 1 0 317.345 2.554 20 5 DFBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000343810697 272224367 /nfs/dbraw/zinc/22/43/67/272224367.db2.gz QXXKSZHZWYITLF-GXTWGEPZSA-N 1 0 317.393 2.740 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000343887410 272232283 /nfs/dbraw/zinc/23/22/83/272232283.db2.gz NGVWCYRQIGFESL-UHFFFAOYSA-N 1 0 324.377 2.637 20 5 DFBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914220 272236170 /nfs/dbraw/zinc/23/61/70/272236170.db2.gz VBTABUXIFUISII-GDBMZVCRSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914223 272236341 /nfs/dbraw/zinc/23/63/41/272236341.db2.gz VBTABUXIFUISII-ZBFHGGJFSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343918041 272237469 /nfs/dbraw/zinc/23/74/69/272237469.db2.gz HCUFUMBKMAAYJE-XJKSGUPXSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344025458 272250421 /nfs/dbraw/zinc/25/04/21/272250421.db2.gz YYAJGJXITWRUGS-CYBMUJFWSA-N 1 0 303.362 2.574 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344027738 272251231 /nfs/dbraw/zinc/25/12/31/272251231.db2.gz JETBCGKMYAOYJA-YPMHNXCESA-N 1 0 303.362 2.654 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344065481 272255044 /nfs/dbraw/zinc/25/50/44/272255044.db2.gz OKMJZRBIYPPDAX-HUUCEWRRSA-N 1 0 320.389 2.623 20 5 DFBDRO CCC(CC)[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344076561 272257547 /nfs/dbraw/zinc/25/75/47/272257547.db2.gz VXRHIHZVEASWKB-OAHLLOKOSA-N 1 0 310.394 2.845 20 5 DFBDRO CCC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000295060055 427677799 /nfs/dbraw/zinc/67/77/99/427677799.db2.gz GMQWNRZBXAWMRV-LBPRGKRZSA-N 1 0 312.366 2.517 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000193216515 427678105 /nfs/dbraw/zinc/67/81/05/427678105.db2.gz FTMFOBUMNYZEMK-DGCLKSJQSA-N 1 0 322.386 2.747 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344172975 272280026 /nfs/dbraw/zinc/28/00/26/272280026.db2.gz PIYNHUQCCCLSAV-APHBMKBZSA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000344179670 272281590 /nfs/dbraw/zinc/28/15/90/272281590.db2.gz OBWDOXCEFXPDFX-LBPRGKRZSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000344207343 272287077 /nfs/dbraw/zinc/28/70/77/272287077.db2.gz GLDPRFTZTLUPAF-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000344207339 272287570 /nfs/dbraw/zinc/28/75/70/272287570.db2.gz GLDPRFTZTLUPAF-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[C@@]1(C)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344225895 272291962 /nfs/dbraw/zinc/29/19/62/272291962.db2.gz YWMXEKPVPQBYPH-INIZCTEOSA-N 1 0 305.378 2.680 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344273685 272302514 /nfs/dbraw/zinc/30/25/14/272302514.db2.gz LUGMJKWQOCMZOT-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344424669 272329897 /nfs/dbraw/zinc/32/98/97/272329897.db2.gz VAYLFNXNXZVPRR-UMVBOHGHSA-N 1 0 304.394 2.831 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000344425845 272330364 /nfs/dbraw/zinc/33/03/64/272330364.db2.gz WQESDTZEPVQZLK-UKRRQHHQSA-N 1 0 322.409 2.539 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344682908 272356353 /nfs/dbraw/zinc/35/63/53/272356353.db2.gz OZQANBDDIXOKIZ-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000344718498 272359636 /nfs/dbraw/zinc/35/96/36/272359636.db2.gz WMMKOIPJRVOKDQ-LSDHHAIUSA-N 1 0 324.377 2.515 20 5 DFBDRO CO[C@H](CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000344808519 272372727 /nfs/dbraw/zinc/37/27/27/272372727.db2.gz IEBKYYLVERJULX-GFCCVEGCSA-N 1 0 306.284 2.960 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCN2CCC2)o1 ZINC000344835749 272376830 /nfs/dbraw/zinc/37/68/30/272376830.db2.gz JFMBTZMHVFDSMV-UHFFFAOYSA-N 1 0 301.346 2.650 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000344861234 272378715 /nfs/dbraw/zinc/37/87/15/272378715.db2.gz JVWDCLMITXCEFP-MYWXAZLQSA-N 1 0 317.389 2.597 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(=O)NC1CC1 ZINC000344885627 272381420 /nfs/dbraw/zinc/38/14/20/272381420.db2.gz ULAXURIXVFPPMH-RAXLEYEMSA-N 1 0 317.389 2.647 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2COc3ccccc3O2)c1 ZINC000345032204 272396362 /nfs/dbraw/zinc/39/63/62/272396362.db2.gz WBWAAMDOOCIXDK-HNNXBMFYSA-N 1 0 314.341 2.915 20 5 DFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677283 427687609 /nfs/dbraw/zinc/68/76/09/427687609.db2.gz KAGOUMPWENKCNS-NHYWBVRUSA-N 1 0 305.378 2.962 20 5 DFBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3nonc32)CC1 ZINC000298735346 427693148 /nfs/dbraw/zinc/69/31/48/427693148.db2.gz OOUFLSWRBNOAFX-UHFFFAOYSA-N 1 0 319.365 2.806 20 5 DFBDRO Cc1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108023 427697481 /nfs/dbraw/zinc/69/74/81/427697481.db2.gz UYNPFFDBJFWVOT-YPMHNXCESA-N 1 0 319.409 2.758 20 5 DFBDRO CCc1nn(C)c(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301347442 427790931 /nfs/dbraw/zinc/79/09/31/427790931.db2.gz IONRPIFXTOBKQQ-MLGOLLRUSA-N 1 0 323.441 2.813 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+]C2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000339508911 427785577 /nfs/dbraw/zinc/78/55/77/427785577.db2.gz VGKVKVQZBVXVTM-NSHDSACASA-N 1 0 321.377 2.709 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301267085 427786165 /nfs/dbraw/zinc/78/61/65/427786165.db2.gz WMVDRZYEKXAQMX-CYBMUJFWSA-N 1 0 309.414 2.703 20 5 DFBDRO Cc1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1[N+](=O)[O-] ZINC000339513820 427786437 /nfs/dbraw/zinc/78/64/37/427786437.db2.gz NFSXTGLPJVCIDX-UHFFFAOYSA-N 1 0 312.373 2.903 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193978958 427725616 /nfs/dbraw/zinc/72/56/16/427725616.db2.gz BIFZJEJWRXAFJC-IUODEOHRSA-N 1 0 321.333 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000193978975 427725836 /nfs/dbraw/zinc/72/58/36/427725836.db2.gz BIFZJEJWRXAFJC-DOMZBBRYSA-N 1 0 321.333 2.504 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301345073 427790413 /nfs/dbraw/zinc/79/04/13/427790413.db2.gz KBUFUVNSGKRQMO-SNVBAGLBSA-N 1 0 310.354 2.891 20 5 DFBDRO C[C@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000336793075 427751970 /nfs/dbraw/zinc/75/19/70/427751970.db2.gz VIVRRWCTRKKXGK-MRVPVSSYSA-N 1 0 317.187 2.682 20 5 DFBDRO Cc1cnc(N2CC[NH+](C3CCC(C)CC3)CC2)c([N+](=O)[O-])c1 ZINC000301453837 427796940 /nfs/dbraw/zinc/79/69/40/427796940.db2.gz RHVJNRNXPJIZGT-UHFFFAOYSA-N 1 0 318.421 2.999 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000345876232 272548501 /nfs/dbraw/zinc/54/85/01/272548501.db2.gz DHIKFLXJJZGUMX-RYUDHWBXSA-N 1 0 306.366 2.541 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000301607329 427809289 /nfs/dbraw/zinc/80/92/89/427809289.db2.gz NSXLJZFQRYIFJF-ZANVPECISA-N 1 0 317.311 3.000 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339685380 427811444 /nfs/dbraw/zinc/81/14/44/427811444.db2.gz ZPHDOHCIEKVTPS-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000339729641 427819645 /nfs/dbraw/zinc/81/96/45/427819645.db2.gz JNICUBUHBMSFTA-MRXNPFEDSA-N 1 0 322.405 2.880 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339773694 427827204 /nfs/dbraw/zinc/82/72/04/427827204.db2.gz WYBMNCWNDWRDEG-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339815472 427833517 /nfs/dbraw/zinc/83/35/17/427833517.db2.gz AXBCVVRBQVDLEB-MRXNPFEDSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1ccc(CN2CCN(Cc3ccco3)CC2)cc1[N+](=O)[O-] ZINC000349653626 427836438 /nfs/dbraw/zinc/83/64/38/427836438.db2.gz JSFRNJZLQFWFJW-UHFFFAOYSA-N 1 0 315.373 2.814 20 5 DFBDRO COc1ccc([C@H](C)N(C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355658750 427837752 /nfs/dbraw/zinc/83/77/52/427837752.db2.gz MKYWSVAUSPTIIP-NSHDSACASA-N 1 0 304.350 2.530 20 5 DFBDRO COc1cc(N[C@@H]2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000301934982 427844418 /nfs/dbraw/zinc/84/44/18/427844418.db2.gz REBRBMHGUGRLOX-MNOVXSKESA-N 1 0 309.366 2.507 20 5 DFBDRO CCC[N@H+](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345657283 427848014 /nfs/dbraw/zinc/84/80/14/427848014.db2.gz MQBVDMJVJFFRJK-HNNXBMFYSA-N 1 0 323.418 2.511 20 5 DFBDRO CCC[N@H+](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345657287 427848340 /nfs/dbraw/zinc/84/83/40/427848340.db2.gz MQBVDMJVJFFRJK-OAHLLOKOSA-N 1 0 323.418 2.511 20 5 DFBDRO Cc1nccnc1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340489458 427860787 /nfs/dbraw/zinc/86/07/87/427860787.db2.gz NQEPADHAAJHYBC-QGZVFWFLSA-N 1 0 312.373 2.903 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000346271417 272610227 /nfs/dbraw/zinc/61/02/27/272610227.db2.gz DPRKGUOGILUJFF-GXTWGEPZSA-N 1 0 317.389 2.603 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000337377082 427872522 /nfs/dbraw/zinc/87/25/22/427872522.db2.gz BOTKOZQYROGQHB-MRXNPFEDSA-N 1 0 318.377 2.679 20 5 DFBDRO COC(=O)COc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355744843 427873389 /nfs/dbraw/zinc/87/33/89/427873389.db2.gz ZDPKUDGBYCUZNS-RYUDHWBXSA-N 1 0 322.361 2.519 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302882655 427885722 /nfs/dbraw/zinc/88/57/22/427885722.db2.gz KCJMUPUKDUMEFK-CYBMUJFWSA-N 1 0 318.421 2.953 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2cccc(F)c2)cc1 ZINC000359530469 427893617 /nfs/dbraw/zinc/89/36/17/427893617.db2.gz MXRFHWOQUZNLGC-MRXNPFEDSA-N 1 0 304.321 2.600 20 5 DFBDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000349903764 427894038 /nfs/dbraw/zinc/89/40/38/427894038.db2.gz AXWWYUVQWRSSTA-QGZVFWFLSA-N 1 0 322.405 2.735 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000337478230 427924287 /nfs/dbraw/zinc/92/42/87/427924287.db2.gz UDXZLFMDNPJXJL-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO O=C(NCC[NH+]1CCC1)c1cc2ccccc2c2cccnc12 ZINC000337598873 427973634 /nfs/dbraw/zinc/97/36/34/427973634.db2.gz QMYKQSIDSUQRQF-UHFFFAOYSA-N 1 0 305.381 2.824 20 5 DFBDRO COCCC[N@H+](C)CCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413168984 427980660 /nfs/dbraw/zinc/98/06/60/427980660.db2.gz LIODASMBZJYTFA-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000340756628 427936601 /nfs/dbraw/zinc/93/66/01/427936601.db2.gz WICMVUTZVYFYCV-KRWDZBQOSA-N 1 0 315.373 2.975 20 5 DFBDRO CCCCCC[C@@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369677595 428032885 /nfs/dbraw/zinc/03/28/85/428032885.db2.gz XTMCTNHBGRPBMF-OAHLLOKOSA-N 1 0 324.425 2.760 20 5 DFBDRO C[NH+]1CCC2(CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000369720942 428045145 /nfs/dbraw/zinc/04/51/45/428045145.db2.gz KVUSZJFYQDHCMH-UHFFFAOYSA-N 1 0 303.406 2.903 20 5 DFBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])s1 ZINC000413439643 428051414 /nfs/dbraw/zinc/05/14/14/428051414.db2.gz BCYWMLSSVORERG-UHFFFAOYSA-N 1 0 312.420 2.681 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764354 428054193 /nfs/dbraw/zinc/05/41/93/428054193.db2.gz BRYYQHCPAZNICM-HOTGVXAUSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346183150 428055141 /nfs/dbraw/zinc/05/51/41/428055141.db2.gz QMMCXDCYRVNFNW-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1c(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000369766432 428055795 /nfs/dbraw/zinc/05/57/95/428055795.db2.gz LRKNOXJSVPNVFC-DLBZAZTESA-N 1 0 303.406 2.962 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000359743294 428000501 /nfs/dbraw/zinc/00/05/01/428000501.db2.gz MQJMBZLSQBIOLY-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000340367775 428004081 /nfs/dbraw/zinc/00/40/81/428004081.db2.gz APHRXMFBIGWJGC-CJNGLKHVSA-N 1 0 306.362 2.806 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369585622 428005965 /nfs/dbraw/zinc/00/59/65/428005965.db2.gz UAEOUNGXGLUPKZ-ARFHVFGLSA-N 1 0 320.389 2.719 20 5 DFBDRO Cc1cccc([C@]2(F)CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000377135065 428067788 /nfs/dbraw/zinc/06/77/88/428067788.db2.gz XYKDEVZXLNBNCD-INIZCTEOSA-N 1 0 318.352 2.670 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412788 428124996 /nfs/dbraw/zinc/12/49/96/428124996.db2.gz OUWGMLAOWQZGQO-JSGCOSHPSA-N 1 0 300.362 2.916 20 5 DFBDRO Cc1cccc([C@@]2(F)CCN(CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000377135066 428066292 /nfs/dbraw/zinc/06/62/92/428066292.db2.gz XYKDEVZXLNBNCD-MRXNPFEDSA-N 1 0 318.352 2.670 20 5 DFBDRO CC1CC[NH+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352357767 428132456 /nfs/dbraw/zinc/13/24/56/428132456.db2.gz TXZXHWNBOKHLCN-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352357541 428132718 /nfs/dbraw/zinc/13/27/18/428132718.db2.gz RWVKHPPSHQEWKS-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358238 428133637 /nfs/dbraw/zinc/13/36/37/428133637.db2.gz XICTVNHHMLEYIK-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DFBDRO COc1ccc(C[NH+]2CCC(CCCO)CC2)cc1[N+](=O)[O-] ZINC000360088702 428156517 /nfs/dbraw/zinc/15/65/17/428156517.db2.gz NFVKYXCIXCEQBW-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000341761276 428185489 /nfs/dbraw/zinc/18/54/89/428185489.db2.gz PMYJIGOQCVIWJL-NSHDSACASA-N 1 0 308.382 2.755 20 5 DFBDRO CC[C@@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000360144860 428180753 /nfs/dbraw/zinc/18/07/53/428180753.db2.gz RIUWTFRVZKKLHZ-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000414099154 428206407 /nfs/dbraw/zinc/20/64/07/428206407.db2.gz JJVIQUJREVBCML-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO CC(C)[C@@]1(CO)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000377730039 428210520 /nfs/dbraw/zinc/21/05/20/428210520.db2.gz ZVRFUWDQLPFYIJ-KRWDZBQOSA-N 1 0 322.405 2.704 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1F ZINC000370472858 428217718 /nfs/dbraw/zinc/21/77/18/428217718.db2.gz XAIHEQWZVDSKID-AWEZNQCLSA-N 1 0 307.369 2.794 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000346490664 428194357 /nfs/dbraw/zinc/19/43/57/428194357.db2.gz SZBGCQVAWHZDTP-QWHCGFSZSA-N 1 0 320.393 2.850 20 5 DFBDRO CCN1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342233 428263284 /nfs/dbraw/zinc/26/32/84/428263284.db2.gz MBCTWECALYNWOP-PVAVHDDUSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000346707697 428283890 /nfs/dbraw/zinc/28/38/90/428283890.db2.gz IBYHBLSRRJNPHE-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3cccc(F)c3)CC2)n1 ZINC000378008254 428285973 /nfs/dbraw/zinc/28/59/73/428285973.db2.gz WWGYROSZYFETBH-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865906 428287696 /nfs/dbraw/zinc/28/76/96/428287696.db2.gz FNFJRRKHTMWKRK-ZBFHGGJFSA-N 1 0 322.405 2.989 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776519 428242549 /nfs/dbraw/zinc/24/25/49/428242549.db2.gz CRSFCIKTAQIXHV-GJZGRUSLSA-N 1 0 320.389 2.852 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC000414342741 428262537 /nfs/dbraw/zinc/26/25/37/428262537.db2.gz MSZGMGSPOGSBBX-TZMCWYRMSA-N 1 0 307.394 2.738 20 5 DFBDRO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342232 428262774 /nfs/dbraw/zinc/26/27/74/428262774.db2.gz MBCTWECALYNWOP-HYVNUMGLSA-N 1 0 317.433 2.990 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279058616 273587650 /nfs/dbraw/zinc/58/76/50/273587650.db2.gz KTCZHBBGVXOXHQ-NEPJUHHUSA-N 1 0 318.295 2.830 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000356811759 428317297 /nfs/dbraw/zinc/31/72/97/428317297.db2.gz PVAJSYKCDZPNKB-JTQLQIEISA-N 1 0 313.785 2.707 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000414515864 428327551 /nfs/dbraw/zinc/32/75/51/428327551.db2.gz NTMWDTAJDPASCX-XQQFMLRXSA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000414528486 428329785 /nfs/dbraw/zinc/32/97/85/428329785.db2.gz ASGUOYKOLSHQFS-MDUKQBBOSA-N 1 0 312.316 2.746 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c(F)c1 ZINC000414533663 428330419 /nfs/dbraw/zinc/33/04/19/428330419.db2.gz UIUXFZZPPWVWMW-CYBMUJFWSA-N 1 0 322.311 2.739 20 5 DFBDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414540172 428333981 /nfs/dbraw/zinc/33/39/81/428333981.db2.gz GAIOZSIXRPWHLN-LBPRGKRZSA-N 1 0 307.394 2.721 20 5 DFBDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000414555965 428341473 /nfs/dbraw/zinc/34/14/73/428341473.db2.gz IWQGCCBSSIXMFI-PKYBCLHXSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000353005383 428345996 /nfs/dbraw/zinc/34/59/96/428345996.db2.gz CRYINOJVSOAALM-GFCCVEGCSA-N 1 0 300.305 2.698 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163175505 273641480 /nfs/dbraw/zinc/64/14/80/273641480.db2.gz YKOQWHYNWLRSDC-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353017708 428353595 /nfs/dbraw/zinc/35/35/95/428353595.db2.gz RVXAUCLYCDBFOO-LRDDRELGSA-N 1 0 319.405 2.740 20 5 DFBDRO COc1cc(-c2nc(C3([NH3+])CCCC3)no2)cc([N+](=O)[O-])c1C ZINC000414614691 428355076 /nfs/dbraw/zinc/35/50/76/428355076.db2.gz HKZXCMLGMPVRNB-UHFFFAOYSA-N 1 0 318.333 2.690 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000342340631 428409347 /nfs/dbraw/zinc/40/93/47/428409347.db2.gz POXVKCCJKBENKU-ZIAGYGMSSA-N 1 0 319.405 2.955 20 5 DFBDRO [NH3+]C1(c2noc(-c3c[nH]c4ccc([N+](=O)[O-])cc34)n2)CCCC1 ZINC000414622247 428357907 /nfs/dbraw/zinc/35/79/07/428357907.db2.gz SHGCYHYVXWNPRX-UHFFFAOYSA-N 1 0 313.317 2.854 20 5 DFBDRO C[C@H](CN(C)C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000342225392 428359460 /nfs/dbraw/zinc/35/94/60/428359460.db2.gz WUOHATBWCQSALZ-GFCCVEGCSA-N 1 0 303.362 2.895 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](COC(F)F)C2)c1 ZINC000353024559 428359983 /nfs/dbraw/zinc/35/99/83/428359983.db2.gz PEARUTBFHLFXFO-LLVKDONJSA-N 1 0 316.304 2.535 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342235141 428363784 /nfs/dbraw/zinc/36/37/84/428363784.db2.gz QBQJWDHJYSGVHZ-KRWDZBQOSA-N 1 0 300.358 2.635 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000342241491 428365228 /nfs/dbraw/zinc/36/52/28/428365228.db2.gz ZPUAZMTZKOQGGY-OAHLLOKOSA-N 1 0 306.387 2.696 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414665166 428368489 /nfs/dbraw/zinc/36/84/89/428368489.db2.gz URGCVCZZJGOSEV-CQSZACIVSA-N 1 0 320.393 2.932 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000353053283 428369566 /nfs/dbraw/zinc/36/95/66/428369566.db2.gz SXVQXCNTZUIXKB-KKBVYLPWSA-N 1 0 320.389 2.972 20 5 DFBDRO Cc1c(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000414702079 428380431 /nfs/dbraw/zinc/38/04/31/428380431.db2.gz LMNOMWGQXZEJDU-CQSZACIVSA-N 1 0 320.393 2.803 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCCNC1 ZINC000414890198 428447104 /nfs/dbraw/zinc/44/71/04/428447104.db2.gz MFKVBBROYQHTQN-KBMXLJTQSA-N 1 0 303.406 2.648 20 5 DFBDRO Cc1ccc(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000372416793 428447105 /nfs/dbraw/zinc/44/71/05/428447105.db2.gz RFDMOADSRJHBNX-HOTGVXAUSA-N 1 0 303.406 2.962 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372436511 428447278 /nfs/dbraw/zinc/44/72/78/428447278.db2.gz JDJNJDFCKIBPPT-ZDUSSCGKSA-N 1 0 319.405 2.764 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2nccn2C1 ZINC000372576253 428465443 /nfs/dbraw/zinc/46/54/43/428465443.db2.gz YBLCATGCUBQNLI-OAHLLOKOSA-N 1 0 314.389 2.528 20 5 DFBDRO C[NH+](C)C1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000362359496 273792659 /nfs/dbraw/zinc/79/26/59/273792659.db2.gz OOVNUZPKTUDDGE-UHFFFAOYSA-N 1 0 316.336 2.546 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000414832502 428428076 /nfs/dbraw/zinc/42/80/76/428428076.db2.gz QOUQDKLBUFGKPQ-CYBMUJFWSA-N 1 0 315.373 2.944 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000360918439 428491293 /nfs/dbraw/zinc/49/12/93/428491293.db2.gz JUGPEMYVXHWTFC-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000395694292 428496869 /nfs/dbraw/zinc/49/68/69/428496869.db2.gz AILFWXRBNNIZKO-ZDUSSCGKSA-N 1 0 307.394 2.577 20 5 DFBDRO COc1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059793 428505744 /nfs/dbraw/zinc/50/57/44/428505744.db2.gz XMYVDTVCDZRANZ-HUUCEWRRSA-N 1 0 319.405 2.567 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347285296 428528948 /nfs/dbraw/zinc/52/89/48/428528948.db2.gz MMIGPLPLONHPPI-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000360881335 428475915 /nfs/dbraw/zinc/47/59/15/428475915.db2.gz QKDIYCHMOLCPIA-CYBMUJFWSA-N 1 0 309.414 2.652 20 5 DFBDRO C[NH+]1CCC(CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347302290 428534628 /nfs/dbraw/zinc/53/46/28/428534628.db2.gz MKMSVDBBWNUPQB-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)c1ccco1 ZINC000343251821 428541316 /nfs/dbraw/zinc/54/13/16/428541316.db2.gz PNEDNZAPOYFILT-STQMWFEESA-N 1 0 318.377 3.433 20 5 DFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000353451975 428542948 /nfs/dbraw/zinc/54/29/48/428542948.db2.gz UGGQFCJINPZOIC-CQSZACIVSA-N 1 0 314.389 3.312 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)CC[C@@H]1C ZINC000353450994 428543149 /nfs/dbraw/zinc/54/31/49/428543149.db2.gz VHHWNAGJNWITDZ-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000358307527 428594109 /nfs/dbraw/zinc/59/41/09/428594109.db2.gz GJMFWTMGSHYMSN-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO CCCC[N@@H+](CC(N)=O)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347348379 428559685 /nfs/dbraw/zinc/55/96/85/428559685.db2.gz XGTUFEVISNMQBJ-UKTHLTGXSA-N 1 0 305.378 2.586 20 5 DFBDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361407685 428564409 /nfs/dbraw/zinc/56/44/09/428564409.db2.gz GAZSFIRZCCWNQX-CQSZACIVSA-N 1 0 317.345 2.595 20 5 DFBDRO O=C(CC[N@@H+]1CC2CCC1CC2)Nc1cc([N+](=O)[O-])ccc1F ZINC000373425786 428572380 /nfs/dbraw/zinc/57/23/80/428572380.db2.gz GLVZWFDTVAFCRL-UHFFFAOYSA-N 1 0 321.352 2.937 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415584292 428598277 /nfs/dbraw/zinc/59/82/77/428598277.db2.gz SJLBCZMONOZCCD-BMIGLBTASA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415582927 428598636 /nfs/dbraw/zinc/59/86/36/428598636.db2.gz QANDNJOABCNNQP-ZDUSSCGKSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415588702 428601151 /nfs/dbraw/zinc/60/11/51/428601151.db2.gz YABXYAVALDYOAO-GXTWGEPZSA-N 1 0 320.393 2.945 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000408243263 428626414 /nfs/dbraw/zinc/62/64/14/428626414.db2.gz FJSUDOMLQXNLSV-OLZOCXBDSA-N 1 0 320.393 2.768 20 5 DFBDRO COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000278806352 274050850 /nfs/dbraw/zinc/05/08/50/274050850.db2.gz NGIROUMHFIWMJL-ULQDDVLXSA-N 1 0 320.389 2.756 20 5 DFBDRO COCC[C@H](COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353651917 428640048 /nfs/dbraw/zinc/64/00/48/428640048.db2.gz UZBSSXBKXDRZOP-CZUORRHYSA-N 1 0 308.378 2.613 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408433626 428659132 /nfs/dbraw/zinc/65/91/32/428659132.db2.gz NBMPBDOCCCQAMD-GFCCVEGCSA-N 1 0 300.362 2.592 20 5 DFBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357036491 274205385 /nfs/dbraw/zinc/20/53/85/274205385.db2.gz KNMPYJWGEOWMKT-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000316820187 274217927 /nfs/dbraw/zinc/21/79/27/274217927.db2.gz XZZUCQLIQAMAJB-NSHDSACASA-N 1 0 303.366 2.757 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000132440134 274239458 /nfs/dbraw/zinc/23/94/58/274239458.db2.gz WWWDKWPRQDPXFZ-RKDXNWHRSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000127336078 274240995 /nfs/dbraw/zinc/24/09/95/274240995.db2.gz WETQXKJEBRNJNK-BDAKNGLRSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000358405615 274284698 /nfs/dbraw/zinc/28/46/98/274284698.db2.gz CBGYGOKCEONMEC-CYBMUJFWSA-N 1 0 317.389 2.748 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342472 274362992 /nfs/dbraw/zinc/36/29/92/274362992.db2.gz SVTYZLZKFQOLTG-SCZZXKLOSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251723665 274363775 /nfs/dbraw/zinc/36/37/75/274363775.db2.gz KAPFUSPZHHIVRX-LDYMZIIASA-N 1 0 303.284 2.787 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000344827162 428710441 /nfs/dbraw/zinc/71/04/41/428710441.db2.gz RCZUKMBYEADWQH-CYBMUJFWSA-N 1 0 306.362 2.795 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000344827164 428711373 /nfs/dbraw/zinc/71/13/73/428711373.db2.gz RCZUKMBYEADWQH-ZDUSSCGKSA-N 1 0 306.362 2.795 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348249844 428679084 /nfs/dbraw/zinc/67/90/84/428679084.db2.gz ZSVYKYITWCVIOG-RDJZCZTQSA-N 1 0 315.373 2.807 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000353745116 428690158 /nfs/dbraw/zinc/69/01/58/428690158.db2.gz GZGHVZNUMXXNBI-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C(C)C)C1CC1 ZINC000411176215 428753231 /nfs/dbraw/zinc/75/32/31/428753231.db2.gz SLHUGBKHFXCPIP-UHFFFAOYSA-N 1 0 321.377 2.805 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C(C)(C)CCc1ccccc1 ZINC000362480960 428763413 /nfs/dbraw/zinc/76/34/13/428763413.db2.gz CUBFNJZLYFEJFX-UHFFFAOYSA-N 1 0 302.378 2.829 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000411279346 428769347 /nfs/dbraw/zinc/76/93/47/428769347.db2.gz BUVQQBBTPXCNPB-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000353915503 428774418 /nfs/dbraw/zinc/77/44/18/428774418.db2.gz SDVJIHSJKOZNKG-UHFFFAOYSA-N 1 0 320.393 2.715 20 5 DFBDRO Cc1cccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])n1 ZINC000348554415 428787453 /nfs/dbraw/zinc/78/74/53/428787453.db2.gz RNXOHBCKFZGQLN-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000290231989 274530734 /nfs/dbraw/zinc/53/07/34/274530734.db2.gz IRQDPOTYXCYCSM-XNJJOIOASA-N 1 0 314.341 2.740 20 5 DFBDRO CCC(=O)c1ccc(N[C@@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358953671 428747960 /nfs/dbraw/zinc/74/79/60/428747960.db2.gz OARDTGIIOOZVTD-GFCCVEGCSA-N 1 0 303.362 2.836 20 5 DFBDRO CCC[NH+](CCC)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411160599 428748412 /nfs/dbraw/zinc/74/84/12/428748412.db2.gz AQVLYAZOMZSYQL-HNNXBMFYSA-N 1 0 305.378 2.822 20 5 DFBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000354083325 428852691 /nfs/dbraw/zinc/85/26/91/428852691.db2.gz BBEAQRPUQXYXOQ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023507 428827359 /nfs/dbraw/zinc/82/73/59/428827359.db2.gz CTPMCMRWGQAOLT-UONOGXRCSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCNC(=O)[C@@H]1CC(C)C ZINC000354053123 428841090 /nfs/dbraw/zinc/84/10/90/428841090.db2.gz KCAFVIPJBHEZJO-INIZCTEOSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363108307 428859718 /nfs/dbraw/zinc/85/97/18/428859718.db2.gz CZAMULMWFDKVSU-OAHLLOKOSA-N 1 0 319.405 2.534 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108591 428859955 /nfs/dbraw/zinc/85/99/55/428859955.db2.gz UINWNWFQEDTUSQ-NEPJUHHUSA-N 1 0 321.377 2.651 20 5 DFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348920900 428877185 /nfs/dbraw/zinc/87/71/85/428877185.db2.gz LUFJUEZHCMKEGK-UHFFFAOYSA-N 1 0 301.346 2.569 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449844 428917384 /nfs/dbraw/zinc/91/73/84/428917384.db2.gz NGDVEMDRPSPMMX-IRXDYDNUSA-N 1 0 319.405 2.532 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115866 428922674 /nfs/dbraw/zinc/92/26/74/428922674.db2.gz FKVAZTGRXYGTNN-DOMZBBRYSA-N 1 0 305.378 2.646 20 5 DFBDRO O=[N+]([O-])c1ccccc1Cc1noc(-c2ccc3c[nH+]cn3c2)n1 ZINC000345530288 428924873 /nfs/dbraw/zinc/92/48/73/428924873.db2.gz QSZOKNXHQIMBOF-UHFFFAOYSA-N 1 0 321.296 2.883 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000310828875 274710989 /nfs/dbraw/zinc/71/09/89/274710989.db2.gz YLXXDOKZIHZHEX-SCZZXKLOSA-N 1 0 314.183 2.592 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000363488686 428929335 /nfs/dbraw/zinc/92/93/35/428929335.db2.gz QBQRKTBSNIPXHV-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000349213713 428942068 /nfs/dbraw/zinc/94/20/68/428942068.db2.gz DPIPVMYXLLNGOI-QGZVFWFLSA-N 1 0 324.421 2.981 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420242422 428950417 /nfs/dbraw/zinc/95/04/17/428950417.db2.gz VHZWVBCFRKBNBS-ZIAGYGMSSA-N 1 0 312.373 3.339 20 5 DFBDRO COc1ccc(C[NH2+]CCSCC(F)(F)F)cc1[N+](=O)[O-] ZINC000354287883 428956169 /nfs/dbraw/zinc/95/61/69/428956169.db2.gz AABAKQYHKBMHIX-UHFFFAOYSA-N 1 0 324.324 2.989 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433283423 429017589 /nfs/dbraw/zinc/01/75/89/429017589.db2.gz OMEOHFOZXPQDBZ-NEPJUHHUSA-N 1 0 300.305 2.533 20 5 DFBDRO CN1CCC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433304278 429021737 /nfs/dbraw/zinc/02/17/37/429021737.db2.gz MTQQUMGVWFVQRK-CABCVRRESA-N 1 0 317.389 2.528 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)n1 ZINC000433323097 429025823 /nfs/dbraw/zinc/02/58/23/429025823.db2.gz ULSGZUMKHOMOBT-ZDUSSCGKSA-N 1 0 320.780 2.934 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000451958369 429025990 /nfs/dbraw/zinc/02/59/90/429025990.db2.gz WEQBNSLELICFBR-RRFJBIMHSA-N 1 0 322.405 2.845 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423602050 428981198 /nfs/dbraw/zinc/98/11/98/428981198.db2.gz HFOPFYIRFRDLPE-BXUZGUMPSA-N 1 0 305.378 2.589 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423598064 428981304 /nfs/dbraw/zinc/98/13/04/428981304.db2.gz VKLGMACQVILIBY-GHMZBOCLSA-N 1 0 323.418 2.707 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809717 428982413 /nfs/dbraw/zinc/98/24/13/428982413.db2.gz FJWAIUUMROLQAT-IAGOWNOFSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813191 428983072 /nfs/dbraw/zinc/98/30/72/428983072.db2.gz JFYOOLMPGFUZAM-DOMZBBRYSA-N 1 0 318.377 2.685 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1COCC1(C)C ZINC000451813802 428987090 /nfs/dbraw/zinc/98/70/90/428987090.db2.gz WCEZMZOMEDGRRA-OAHLLOKOSA-N 1 0 308.378 2.897 20 5 DFBDRO CCn1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1=O ZINC000433066755 428990313 /nfs/dbraw/zinc/99/03/13/428990313.db2.gz KSLGLIRMDGLTJV-CYBMUJFWSA-N 1 0 315.373 2.936 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859129 428999023 /nfs/dbraw/zinc/99/90/23/428999023.db2.gz ILVPHFMPQCFRJL-GDBMZVCRSA-N 1 0 317.389 2.684 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433145397 429001056 /nfs/dbraw/zinc/00/10/56/429001056.db2.gz GXIOCMAIOKNFKK-OAHLLOKOSA-N 1 0 319.405 2.823 20 5 DFBDRO CC(C)C1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000433151546 429001498 /nfs/dbraw/zinc/00/14/98/429001498.db2.gz OIIFVWQRDBQPOT-UHFFFAOYSA-N 1 0 321.421 2.903 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423709055 429002381 /nfs/dbraw/zinc/00/23/81/429002381.db2.gz QFUQAAVNKBEEJW-GXTWGEPZSA-N 1 0 319.405 2.966 20 5 DFBDRO COc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000423728689 429005633 /nfs/dbraw/zinc/00/56/33/429005633.db2.gz TUXPHIBDCDQZFC-STQMWFEESA-N 1 0 321.377 2.840 20 5 DFBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000451888172 429009074 /nfs/dbraw/zinc/00/90/74/429009074.db2.gz IVPDINPKRBUDFE-LLVKDONJSA-N 1 0 304.350 2.671 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020382 429039215 /nfs/dbraw/zinc/03/92/15/429039215.db2.gz ZITYGSBPBXZWIU-STQMWFEESA-N 1 0 308.378 2.597 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H](C)C1 ZINC000452064110 429046492 /nfs/dbraw/zinc/04/64/92/429046492.db2.gz YWELXEFPMBDBGE-MELADBBJSA-N 1 0 307.394 2.561 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000376120226 429061722 /nfs/dbraw/zinc/06/17/22/429061722.db2.gz YDCFYBYPACQPFC-LYKUJDHUSA-N 1 0 312.373 2.657 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376183819 429071838 /nfs/dbraw/zinc/07/18/38/429071838.db2.gz DOBGKLFHXNPNPU-QYJAPNMZSA-N 1 0 320.349 2.564 20 5 DFBDRO Cn1nccc1C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279086422 274903937 /nfs/dbraw/zinc/90/39/37/274903937.db2.gz NBFKKAMOEWMYGQ-HNNXBMFYSA-N 1 0 300.362 2.841 20 5 DFBDRO Cc1sc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434444938 429088040 /nfs/dbraw/zinc/08/80/40/429088040.db2.gz MCMLQINNKDITSL-LBPRGKRZSA-N 1 0 323.418 2.711 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413140689 429146430 /nfs/dbraw/zinc/14/64/30/429146430.db2.gz ORJHSHVWKJFTNP-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494705320 429148106 /nfs/dbraw/zinc/14/81/06/429148106.db2.gz APLLBSJMGSRSLU-HNNXBMFYSA-N 1 0 320.389 2.865 20 5 DFBDRO C[C@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000413157263 429152199 /nfs/dbraw/zinc/15/21/99/429152199.db2.gz HHKHJEYPQUEPEX-IUCAKERBSA-N 1 0 318.299 2.903 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1O ZINC000424164396 429102355 /nfs/dbraw/zinc/10/23/55/429102355.db2.gz CGGJHHFQLJIFMS-AAEUAGOBSA-N 1 0 306.362 2.835 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423508643 429102946 /nfs/dbraw/zinc/10/29/46/429102946.db2.gz IXDKFNHMSMFJHC-GHMZBOCLSA-N 1 0 323.418 2.516 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424330625 429128145 /nfs/dbraw/zinc/12/81/45/429128145.db2.gz RYFRGIUBZASSCC-CZUORRHYSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452576024 429129018 /nfs/dbraw/zinc/12/90/18/429129018.db2.gz SSWXGUSVUOMSDI-AVGNSLFASA-N 1 0 305.378 2.645 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000413064027 429130573 /nfs/dbraw/zinc/13/05/73/429130573.db2.gz ACUZBMHJSVQQAH-QMMMGPOBSA-N 1 0 316.283 2.657 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424360395 429132127 /nfs/dbraw/zinc/13/21/27/429132127.db2.gz WELMVPFOMVTEML-NRWUCQMLSA-N 1 0 303.362 2.700 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413081282 429133880 /nfs/dbraw/zinc/13/38/80/429133880.db2.gz ZHBBZOPOOJXLEF-SECBINFHSA-N 1 0 318.299 2.905 20 5 DFBDRO CC[N@@H+]1CCC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413081284 429134157 /nfs/dbraw/zinc/13/41/57/429134157.db2.gz ZHBBZOPOOJXLEF-VIFPVBQESA-N 1 0 318.299 2.905 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435750669 429162122 /nfs/dbraw/zinc/16/21/22/429162122.db2.gz OEUWPSLRPJDXQK-GFCCVEGCSA-N 1 0 317.345 2.555 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000364072484 429165748 /nfs/dbraw/zinc/16/57/48/429165748.db2.gz NJKVPEKPOFJEPL-GJZGRUSLSA-N 1 0 317.389 2.507 20 5 DFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000375317322 275026415 /nfs/dbraw/zinc/02/64/15/275026415.db2.gz DFXXRIZAOUQKGM-SFHVURJKSA-N 1 0 323.352 2.691 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH2+]CC2CC2)CC1 ZINC000133683440 275033557 /nfs/dbraw/zinc/03/35/57/275033557.db2.gz QEDUDIICPKUSIB-UHFFFAOYSA-N 1 0 310.785 2.612 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F ZINC000320012611 275036796 /nfs/dbraw/zinc/03/67/96/275036796.db2.gz GOOGTKLEIXWBRV-SKDRFNHKSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1C(F)(F)F ZINC000320012587 275036920 /nfs/dbraw/zinc/03/69/20/275036920.db2.gz GOOGTKLEIXWBRV-BXKDBHETSA-N 1 0 315.295 2.802 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000364163142 429173097 /nfs/dbraw/zinc/17/30/97/429173097.db2.gz SDDJHXPBZXTHQI-QGZVFWFLSA-N 1 0 314.389 2.926 20 5 DFBDRO COc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364283020 429174114 /nfs/dbraw/zinc/17/41/14/429174114.db2.gz QSLTXWONFMGAQW-IHRRRGAJSA-N 1 0 317.389 2.524 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487930666 429175807 /nfs/dbraw/zinc/17/58/07/429175807.db2.gz FZLJKEWYVNEZAU-CYBMUJFWSA-N 1 0 314.389 2.709 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000364329921 429182635 /nfs/dbraw/zinc/18/26/35/429182635.db2.gz SXACEBPAONUILZ-GFCCVEGCSA-N 1 0 306.391 2.998 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000364313468 429179880 /nfs/dbraw/zinc/17/98/80/429179880.db2.gz YJGPAQWFGUQXNV-VBQJREDUSA-N 1 0 320.389 2.892 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@@H]1C ZINC000488762575 429196778 /nfs/dbraw/zinc/19/67/78/429196778.db2.gz DJYUIFNSMMJMDN-STQMWFEESA-N 1 0 308.378 2.585 20 5 DFBDRO O=[N+]([O-])c1cnccc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425272902 429256488 /nfs/dbraw/zinc/25/64/88/429256488.db2.gz HNHOVTNVTVVZAC-MAUKXSAKSA-N 1 0 324.384 2.701 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000364740537 429259301 /nfs/dbraw/zinc/25/93/01/429259301.db2.gz CRTGOXMUGKRNPZ-MRXNPFEDSA-N 1 0 300.362 2.846 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCn3ccnc3C2)c2ncccc12 ZINC000489883006 429266070 /nfs/dbraw/zinc/26/60/70/429266070.db2.gz IFQZZRYQCQQRCZ-LLVKDONJSA-N 1 0 309.329 2.766 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437303 429318379 /nfs/dbraw/zinc/31/83/79/429318379.db2.gz LXMSPKOYASBMPM-QWHCGFSZSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554850 429322674 /nfs/dbraw/zinc/32/26/74/429322674.db2.gz WYMBDORIIWLSGY-VXGBXAGGSA-N 1 0 301.350 2.572 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000449073378 429325153 /nfs/dbraw/zinc/32/51/53/429325153.db2.gz IQEAECMGXJOEJH-IUODEOHRSA-N 1 0 314.389 2.927 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N(C)C ZINC000449080178 429327259 /nfs/dbraw/zinc/32/72/59/429327259.db2.gz TXQYIQVNDDWNSL-CYBMUJFWSA-N 1 0 314.389 2.777 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000456434576 429306339 /nfs/dbraw/zinc/30/63/39/429306339.db2.gz VAEMFEPHBAEPQS-PWSUYJOCSA-N 1 0 300.318 2.536 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503506 429311976 /nfs/dbraw/zinc/31/19/76/429311976.db2.gz SLWJHVCPTYNYSY-QWHCGFSZSA-N 1 0 301.350 2.584 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457076441 429391720 /nfs/dbraw/zinc/39/17/20/429391720.db2.gz NSFBYATZSVGWMB-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccsc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425985778 429357124 /nfs/dbraw/zinc/35/71/24/429357124.db2.gz SLGDUOCERRZRNF-UHFFFAOYSA-N 1 0 306.391 2.998 20 5 DFBDRO CCc1nnc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449211072 429358151 /nfs/dbraw/zinc/35/81/51/429358151.db2.gz WWWSREZFQQTHDW-WDEREUQCSA-N 1 0 303.366 2.557 20 5 DFBDRO C[N@H+](CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000491521264 429368667 /nfs/dbraw/zinc/36/86/67/429368667.db2.gz UBONTRRYBYZMDA-KTKRTIGZSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491530278 429371080 /nfs/dbraw/zinc/37/10/80/429371080.db2.gz AOPINXAEKBDYRW-JXMROGBWSA-N 1 0 319.405 2.654 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792899 429373301 /nfs/dbraw/zinc/37/33/01/429373301.db2.gz CSRXQRAOAIQEMQ-GFCCVEGCSA-N 1 0 323.349 2.752 20 5 DFBDRO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000457023030 429379384 /nfs/dbraw/zinc/37/93/84/429379384.db2.gz GIESOPUILQULHA-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426301521 429380095 /nfs/dbraw/zinc/38/00/95/429380095.db2.gz NIUKTALAKCMAAZ-CHWSQXEVSA-N 1 0 304.350 2.966 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccc(F)cc3)CC2)n1 ZINC000365834174 429383666 /nfs/dbraw/zinc/38/36/66/429383666.db2.gz BCXSELORRIYPFJ-UHFFFAOYSA-N 1 0 304.325 2.768 20 5 DFBDRO COCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449333365 429390368 /nfs/dbraw/zinc/39/03/68/429390368.db2.gz BETZDGFCNWVHSE-CQSZACIVSA-N 1 0 322.405 2.559 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000449535400 429446635 /nfs/dbraw/zinc/44/66/35/429446635.db2.gz HPYUNRJSPHSKQH-WBVHZDCISA-N 1 0 313.357 3.000 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449580954 429454743 /nfs/dbraw/zinc/45/47/43/429454743.db2.gz VWRXXFCVVJTWDF-OSZGCLPASA-N 1 0 318.373 2.929 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457243786 429431944 /nfs/dbraw/zinc/43/19/44/429431944.db2.gz QAXYRBNIQDOOOQ-CQSZACIVSA-N 1 0 321.421 2.620 20 5 DFBDRO CC(C)c1nnc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000492154631 429478072 /nfs/dbraw/zinc/47/80/72/429478072.db2.gz UKQMNSROCVSCEZ-UHFFFAOYSA-N 1 0 312.420 2.964 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@]3(CC[NH2+]C3)C2)c2ccncc21 ZINC000520206471 429502718 /nfs/dbraw/zinc/50/27/18/429502718.db2.gz LCWKRKPAXKCHDT-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000520224568 429506070 /nfs/dbraw/zinc/50/60/70/429506070.db2.gz MPFBUEICACOEJN-LSDHHAIUSA-N 1 0 320.389 2.865 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000449788182 429510928 /nfs/dbraw/zinc/51/09/28/429510928.db2.gz DBBYQVSYHLMZIK-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000520586666 429521946 /nfs/dbraw/zinc/52/19/46/429521946.db2.gz GZSNBBBBZFAJMT-LBPRGKRZSA-N 1 0 320.393 2.840 20 5 DFBDRO CCOc1cc(CN(C)C[C@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000492790152 429616180 /nfs/dbraw/zinc/61/61/80/429616180.db2.gz OREFWWMGZBEKRT-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492847212 429628892 /nfs/dbraw/zinc/62/88/92/429628892.db2.gz LYRLDGWRKKAUOU-CXAGYDPISA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C[NH+](C)C ZINC000450538767 429643482 /nfs/dbraw/zinc/64/34/82/429643482.db2.gz IKDFYPLXIMKHSC-NSHDSACASA-N 1 0 320.418 3.328 20 5 DFBDRO CCOc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000450545742 429645347 /nfs/dbraw/zinc/64/53/47/429645347.db2.gz AQMMYJYLCKCCOP-ZDUSSCGKSA-N 1 0 319.405 2.914 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C(C)C ZINC000429372772 429604086 /nfs/dbraw/zinc/60/40/86/429604086.db2.gz OKYQNDCEGOJITF-ZFWWWQNUSA-N 1 0 306.362 2.614 20 5 DFBDRO CCc1ccc(C(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458222756 429605018 /nfs/dbraw/zinc/60/50/18/429605018.db2.gz QPMZGQAYUSAOBG-CYBMUJFWSA-N 1 0 319.405 2.619 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CC1CCCCC1 ZINC000430214190 429663215 /nfs/dbraw/zinc/66/32/15/429663215.db2.gz XMWIWJGCJMUGDL-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430211106 429663680 /nfs/dbraw/zinc/66/36/80/429663680.db2.gz WXSVGGKKBSOWQO-QWHCGFSZSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CCOCC1 ZINC000430217648 429663932 /nfs/dbraw/zinc/66/39/32/429663932.db2.gz JYNJMRMDVFTSNA-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430211107 429663943 /nfs/dbraw/zinc/66/39/43/429663943.db2.gz WXSVGGKKBSOWQO-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000430227910 429664922 /nfs/dbraw/zinc/66/49/22/429664922.db2.gz CPMUEZGHBKVGFV-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000493004432 429666132 /nfs/dbraw/zinc/66/61/32/429666132.db2.gz PIKAIPQUJZRTCT-GFCCVEGCSA-N 1 0 309.797 2.917 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243986 429666300 /nfs/dbraw/zinc/66/63/00/429666300.db2.gz NGPZXLITABSPLM-DZGCQCFKSA-N 1 0 321.421 2.908 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000430241214 429667754 /nfs/dbraw/zinc/66/77/54/429667754.db2.gz GEARFNLHGPAONY-TZMCWYRMSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000430245936 429668177 /nfs/dbraw/zinc/66/81/77/429668177.db2.gz VAVDVBZPNQITLO-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)S1 ZINC000525787468 429673003 /nfs/dbraw/zinc/67/30/03/429673003.db2.gz LBIQOLSRYBEBET-QWRGUYRKSA-N 1 0 324.402 2.787 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000493032248 429673403 /nfs/dbraw/zinc/67/34/03/429673403.db2.gz KMELMYIZENSQOI-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(C2CC2)CCOCC1 ZINC000367567342 429673489 /nfs/dbraw/zinc/67/34/89/429673489.db2.gz VUIOCLSOYRGZAA-UHFFFAOYSA-N 1 0 306.362 2.522 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000153829541 276225834 /nfs/dbraw/zinc/22/58/34/276225834.db2.gz SVHSEMFTVKFSKZ-PWSUYJOCSA-N 1 0 312.801 2.810 20 5 DFBDRO C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000367609799 429684950 /nfs/dbraw/zinc/68/49/50/429684950.db2.gz XTPOTUXYQBUNLA-VYDXJSESSA-N 1 0 303.406 2.600 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000261800877 276264371 /nfs/dbraw/zinc/26/43/71/276264371.db2.gz UVWDBYSSOUSLBG-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@@H](C)C1 ZINC000526053227 429698593 /nfs/dbraw/zinc/69/85/93/429698593.db2.gz ZGLIZODSIHXVJA-MKRLJBPISA-N 1 0 303.406 2.930 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189716146 276375881 /nfs/dbraw/zinc/37/58/81/276375881.db2.gz OUVMWPZLZWMZNQ-AWEZNQCLSA-N 1 0 319.405 2.932 20 5 DFBDRO CCOc1cccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000262316130 276381482 /nfs/dbraw/zinc/38/14/82/276381482.db2.gz QITRLGBDPDVHMU-XQQFMLRXSA-N 1 0 305.378 2.557 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698727 429703969 /nfs/dbraw/zinc/70/39/69/429703969.db2.gz FQYUKFQFODAHRV-LBPRGKRZSA-N 1 0 320.780 2.971 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000527109510 429724850 /nfs/dbraw/zinc/72/48/50/429724850.db2.gz OVAGPDYSIJRKBR-INIZCTEOSA-N 1 0 308.378 2.768 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430952300 429728940 /nfs/dbraw/zinc/72/89/40/429728940.db2.gz YQIYRGVOAOGZSA-WFASDCNBSA-N 1 0 307.394 2.551 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430952299 429729726 /nfs/dbraw/zinc/72/97/26/429729726.db2.gz YQIYRGVOAOGZSA-SWLSCSKDSA-N 1 0 307.394 2.551 20 5 DFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000527316205 429742638 /nfs/dbraw/zinc/74/26/38/429742638.db2.gz MDZBUSJUIKCPMR-CZUORRHYSA-N 1 0 308.378 2.768 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451294906 429805976 /nfs/dbraw/zinc/80/59/76/429805976.db2.gz IPXIHVUJIMKION-UWVGGRQHSA-N 1 0 320.315 2.929 20 5 DFBDRO CCOc1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1[N+](=O)[O-] ZINC000262316138 276498987 /nfs/dbraw/zinc/49/89/87/276498987.db2.gz QITRLGBDPDVHMU-YNEHKIRRSA-N 1 0 305.378 2.557 20 5 DFBDRO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102890 429767727 /nfs/dbraw/zinc/76/77/27/429767727.db2.gz FSNHXVLVMOYOFL-QWHCGFSZSA-N 1 0 307.394 2.796 20 5 DFBDRO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102891 429767794 /nfs/dbraw/zinc/76/77/94/429767794.db2.gz FSNHXVLVMOYOFL-STQMWFEESA-N 1 0 307.394 2.796 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000451101617 429767843 /nfs/dbraw/zinc/76/78/43/429767843.db2.gz DMPLVUGUHXVMBX-NSHDSACASA-N 1 0 317.389 2.550 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2CC23CCOCC3)cc1[N+](=O)[O-] ZINC000431650012 429775583 /nfs/dbraw/zinc/77/55/83/429775583.db2.gz RWGLMPRWIKWVPI-ZDUSSCGKSA-N 1 0 306.362 2.510 20 5 DFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451489221 429836039 /nfs/dbraw/zinc/83/60/39/429836039.db2.gz NNNWEPGSBQECCD-XJKSGUPXSA-N 1 0 318.377 2.764 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000432813906 429842880 /nfs/dbraw/zinc/84/28/80/429842880.db2.gz PSKCZLXGZHUFNS-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000432881082 429847218 /nfs/dbraw/zinc/84/72/18/429847218.db2.gz PSSKVUMPPFGRKN-AWEZNQCLSA-N 1 0 307.394 2.816 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000368429527 429847506 /nfs/dbraw/zinc/84/75/06/429847506.db2.gz OOCIRBBOHMUBBQ-HBCZOZSTSA-N 1 0 317.389 2.563 20 5 DFBDRO CCO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451552538 429851669 /nfs/dbraw/zinc/85/16/69/429851669.db2.gz YUANJVVAOLGXFD-CZUORRHYSA-N 1 0 308.378 2.721 20 5 DFBDRO Cc1c(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451599782 429860319 /nfs/dbraw/zinc/86/03/19/429860319.db2.gz GIYOHKAEZQOWPF-RDJZCZTQSA-N 1 0 304.390 2.790 20 5 DFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC3[N+](=O)[O-])c2C1 ZINC000368948460 429903236 /nfs/dbraw/zinc/90/32/36/429903236.db2.gz JUNKORYTAYIEPT-XJKSGUPXSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCc2nccn2C1 ZINC000369279626 429922290 /nfs/dbraw/zinc/92/22/90/429922290.db2.gz MKXMYDROHHTIRS-CQSZACIVSA-N 1 0 314.389 2.794 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000451694309 429872919 /nfs/dbraw/zinc/87/29/19/429872919.db2.gz BCXBGUQXILHUKV-QLFBSQMISA-N 1 0 320.389 2.586 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451700496 429875181 /nfs/dbraw/zinc/87/51/81/429875181.db2.gz GKSNHXVZEOLACM-BMFZPTHFSA-N 1 0 304.390 2.886 20 5 DFBDRO Cc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000573467660 429955207 /nfs/dbraw/zinc/95/52/07/429955207.db2.gz PDTMVNOMCYLLKY-CYBMUJFWSA-N 1 0 307.369 2.868 20 5 DFBDRO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CCC[NH2+]C1 ZINC000573488689 429956937 /nfs/dbraw/zinc/95/69/37/429956937.db2.gz BUNBSQUJIWDULX-YPMHNXCESA-N 1 0 304.394 2.669 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000557329194 429935981 /nfs/dbraw/zinc/93/59/81/429935981.db2.gz GAQHDGLLLYRGOV-LSDHHAIUSA-N 1 0 319.405 2.580 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000557329190 429936028 /nfs/dbraw/zinc/93/60/28/429936028.db2.gz GAQHDGLLLYRGOV-GJZGRUSLSA-N 1 0 319.405 2.580 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1 ZINC000369458795 429949980 /nfs/dbraw/zinc/94/99/80/429949980.db2.gz RNHPLZNXLCOOHT-JKSUJKDBSA-N 1 0 306.362 2.617 20 5 DFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000573973259 429999517 /nfs/dbraw/zinc/99/95/17/429999517.db2.gz SHDRCEVQULVBJF-GXFFZTMASA-N 1 0 314.357 2.629 20 5 DFBDRO CCc1nocc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000559303459 430003817 /nfs/dbraw/zinc/00/38/17/430003817.db2.gz VEZQAVWIZVSRNM-UHFFFAOYSA-N 1 0 314.345 2.959 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCC[C@@H]12 ZINC000560093594 430021722 /nfs/dbraw/zinc/02/17/22/430021722.db2.gz MAUTWAZFQMCCLK-VNQPRFMTSA-N 1 0 319.405 2.657 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000580573915 430135769 /nfs/dbraw/zinc/13/57/69/430135769.db2.gz SAVBEWOVRHREDB-QWHCGFSZSA-N 1 0 317.389 2.565 20 5 DFBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C1C[NH2+]C1 ZINC000357056946 276985947 /nfs/dbraw/zinc/98/59/47/276985947.db2.gz SRZZTVNBDCEFRV-UHFFFAOYSA-N 1 0 303.387 2.727 20 5 DFBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CC[NH2+]C1 ZINC000580713734 430147984 /nfs/dbraw/zinc/14/79/84/430147984.db2.gz ISBMKLZCDXRPPJ-CQSZACIVSA-N 1 0 301.346 2.649 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000154087191 277085078 /nfs/dbraw/zinc/08/50/78/277085078.db2.gz OCLSNUSODFWJQX-JQWIXIFHSA-N 1 0 310.785 2.564 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000245674169 277155380 /nfs/dbraw/zinc/15/53/80/277155380.db2.gz FWZFZHABMDAJOT-SWLSCSKDSA-N 1 0 318.377 2.543 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000261963000 277275942 /nfs/dbraw/zinc/27/59/42/277275942.db2.gz PBICDCOMZVGYPR-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO CC(C)[NH2+]CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000565354218 430207484 /nfs/dbraw/zinc/20/74/84/430207484.db2.gz ODJFOWZMGXACOT-UHFFFAOYSA-N 1 0 320.418 3.518 20 5 DFBDRO CCCCN(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587629 430221900 /nfs/dbraw/zinc/22/19/00/430221900.db2.gz RAUWNNQICBHGSK-CABCVRRESA-N 1 0 323.441 2.597 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000373721709 277389638 /nfs/dbraw/zinc/38/96/38/277389638.db2.gz VXENSALGLJYVGD-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000542521504 430212880 /nfs/dbraw/zinc/21/28/80/430212880.db2.gz NAPXTGVLHXLQCO-UHFFFAOYSA-N 1 0 309.753 2.719 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000544188812 430275964 /nfs/dbraw/zinc/27/59/64/430275964.db2.gz IOVMOTBBHAUHKS-DZGCQCFKSA-N 1 0 322.405 2.703 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(O)Cc2ccccc2C1 ZINC000567178365 430278809 /nfs/dbraw/zinc/27/88/09/430278809.db2.gz GTUICLBLEFLDAR-KRWDZBQOSA-N 1 0 324.380 2.702 20 5 DFBDRO COCC[C@@H](COC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353648975 277545874 /nfs/dbraw/zinc/54/58/74/277545874.db2.gz MTYUHZOCOHEZRN-BLLLJJGKSA-N 1 0 322.405 2.958 20 5 DFBDRO COCC[C@@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279109935 277548979 /nfs/dbraw/zinc/54/89/79/277548979.db2.gz PCXVZARMVMTZMZ-NVXWUHKLSA-N 1 0 322.405 2.694 20 5 DFBDRO COC[C@@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000290781568 277564439 /nfs/dbraw/zinc/56/44/39/277564439.db2.gz CIRHLEPPIJFLKU-SNVBAGLBSA-N 1 0 323.176 2.653 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000568872871 430399725 /nfs/dbraw/zinc/39/97/25/430399725.db2.gz BGUIYSWXSPJMIK-OAHLLOKOSA-N 1 0 320.389 2.647 20 5 DFBDRO O=C(CC[NH2+]CC1(C2CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000583689226 430418564 /nfs/dbraw/zinc/41/85/64/430418564.db2.gz ZEQYQIKGJHPRLL-UHFFFAOYSA-N 1 0 303.362 2.703 20 5 DFBDRO CCO[C@@H]1C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973569 430446977 /nfs/dbraw/zinc/44/69/77/430446977.db2.gz SBOBNXDXSLSKKT-ZIAGYGMSSA-N 1 0 319.386 2.985 20 5 DFBDRO CC(C)[NH+](CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000584030375 430451477 /nfs/dbraw/zinc/45/14/77/430451477.db2.gz HDFMLVMDCXBILB-CQSZACIVSA-N 1 0 321.421 2.933 20 5 DFBDRO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000584124104 430462861 /nfs/dbraw/zinc/46/28/61/430462861.db2.gz UBEQVMSQGLDSEA-BMIGLBTASA-N 1 0 300.362 2.834 20 5 DFBDRO CC(C)(C)OCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569553474 430464894 /nfs/dbraw/zinc/46/48/94/430464894.db2.gz RBKGVZSOKBLHRG-STQMWFEESA-N 1 0 310.398 2.680 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000547798131 430423750 /nfs/dbraw/zinc/42/37/50/430423750.db2.gz OECNPPLLVWOUDX-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1nc(NC[C@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599128016 430527374 /nfs/dbraw/zinc/52/73/74/430527374.db2.gz VKIISKXURWELCD-CQSZACIVSA-N 1 0 304.394 3.117 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000276970182 277825257 /nfs/dbraw/zinc/82/52/57/277825257.db2.gz DPTQBHDERKYPKI-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000269276086 277854006 /nfs/dbraw/zinc/85/40/06/277854006.db2.gz OSEHLPDZIDNFAT-RISCZKNCSA-N 1 0 319.405 2.702 20 5 DFBDRO C[NH+](C)C1(CN[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000570934757 430590705 /nfs/dbraw/zinc/59/07/05/430590705.db2.gz QZOBSYXYLDKNHI-LBPRGKRZSA-N 1 0 317.311 2.882 20 5 DFBDRO C[C@@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+](C)C ZINC000571171046 430609032 /nfs/dbraw/zinc/60/90/32/430609032.db2.gz DJSRFPCDWORZOJ-GWCFXTLKSA-N 1 0 319.327 2.986 20 5 DFBDRO C[C@H]1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507158 430633247 /nfs/dbraw/zinc/63/32/47/430633247.db2.gz SCIUIHRQAGFLAV-GUYCJALGSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000332009539 278312995 /nfs/dbraw/zinc/31/29/95/278312995.db2.gz WNJLZJIYQBNVBL-MMTVNHQJSA-N 1 0 320.389 2.518 20 5 DFBDRO C[C@@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273063046 278330162 /nfs/dbraw/zinc/33/01/62/278330162.db2.gz YQZCWLQNAJZXPT-SNVBAGLBSA-N 1 0 323.780 2.628 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000299723088 278337860 /nfs/dbraw/zinc/33/78/60/278337860.db2.gz SWQNACUIJUCRDH-CHWSQXEVSA-N 1 0 305.378 2.646 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279122640 278389978 /nfs/dbraw/zinc/38/99/78/278389978.db2.gz QESNREITEHKGLE-GJZGRUSLSA-N 1 0 317.389 2.576 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000194494310 278931706 /nfs/dbraw/zinc/93/17/06/278931706.db2.gz PQJBMAPWZANBEG-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832834 279011935 /nfs/dbraw/zinc/01/19/35/279011935.db2.gz NRMLLRLIQMIIGE-VXGBXAGGSA-N 1 0 318.352 2.938 20 5 DFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262744985 279105320 /nfs/dbraw/zinc/10/53/20/279105320.db2.gz FQDLVHCVQXPHSW-NWDGAFQWSA-N 1 0 319.405 2.715 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000216205959 279992475 /nfs/dbraw/zinc/99/24/75/279992475.db2.gz BDXLRDVNCAISDI-DTWKUNHWSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193633440 280048568 /nfs/dbraw/zinc/04/85/68/280048568.db2.gz ZKGGGDKNMTWFED-BXUZGUMPSA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295677398 280102066 /nfs/dbraw/zinc/10/20/66/280102066.db2.gz LFWCSXCYTYXCMX-NHYWBVRUSA-N 1 0 315.377 2.534 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272572 280189550 /nfs/dbraw/zinc/18/95/50/280189550.db2.gz VVUGLXQFVLRSNQ-WMLDXEAASA-N 1 0 321.421 2.604 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000354706592 280397835 /nfs/dbraw/zinc/39/78/35/280397835.db2.gz BFAOCWYYEDKIMZ-TZMCWYRMSA-N 1 0 319.405 2.542 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000297287731 280596814 /nfs/dbraw/zinc/59/68/14/280596814.db2.gz CRDDODHJBLVDHJ-MKBNYLNASA-N 1 0 319.405 2.916 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000332013414 281008625 /nfs/dbraw/zinc/00/86/25/281008625.db2.gz PPJFLUYATGLNPA-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000121751470 281195858 /nfs/dbraw/zinc/19/58/58/281195858.db2.gz VETGUPMMKVDQAX-WDEREUQCSA-N 1 0 311.332 2.936 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269387516 288317866 /nfs/dbraw/zinc/31/78/66/288317866.db2.gz RDILYYZAFYHUCI-RYUDHWBXSA-N 1 0 310.785 2.706 20 5 DFBDRO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362861638 281362490 /nfs/dbraw/zinc/36/24/90/281362490.db2.gz OKIKMXMCNXNXJE-AWEZNQCLSA-N 1 0 300.362 2.974 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000274842949 282012269 /nfs/dbraw/zinc/01/22/69/282012269.db2.gz UPXFSKNCYNYUMS-NEPJUHHUSA-N 1 0 307.394 2.939 20 5 DFBDRO C[NH+](C)C1CN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000270614642 282053259 /nfs/dbraw/zinc/05/32/59/282053259.db2.gz PMRRKGRKQFVFCU-UHFFFAOYSA-N 1 0 305.381 2.774 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415699482 289121333 /nfs/dbraw/zinc/12/13/33/289121333.db2.gz IZIQZXMLGULVOG-LBPRGKRZSA-N 1 0 320.393 2.766 20 5 DFBDRO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC([NH3+])C1 ZINC000415706971 289121974 /nfs/dbraw/zinc/12/19/74/289121974.db2.gz VVEMVYPCFJNJRX-UHFFFAOYSA-N 1 0 320.393 2.846 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415759005 289131005 /nfs/dbraw/zinc/13/10/05/289131005.db2.gz IFQLRHAGOVCCLX-AWEZNQCLSA-N 1 0 320.393 2.763 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415758587 289131216 /nfs/dbraw/zinc/13/12/16/289131216.db2.gz HRFBTNLXSVDKQM-XHDPSFHLSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415764951 289132407 /nfs/dbraw/zinc/13/24/07/289132407.db2.gz QCGOEOSPPRBMIO-RISCZKNCSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415763664 289132682 /nfs/dbraw/zinc/13/26/82/289132682.db2.gz OTCPQKRMSAEPCJ-CQSZACIVSA-N 1 0 322.409 2.994 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000269085049 290240757 /nfs/dbraw/zinc/24/07/57/290240757.db2.gz HQLSOEMMROETBA-GWCFXTLKSA-N 1 0 310.785 2.564 20 5 DFBDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000495073373 299901780 /nfs/dbraw/zinc/90/17/80/299901780.db2.gz XCHYDJFZNWKNLM-OAHLLOKOSA-N 1 0 319.405 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000440810492 297166086 /nfs/dbraw/zinc/16/60/86/297166086.db2.gz VWZZBPMCPAZTLN-UHFFFAOYSA-N 1 0 314.267 2.669 20 5 DFBDRO COc1ccc(OCC[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000441172018 297174110 /nfs/dbraw/zinc/17/41/10/297174110.db2.gz GYTINSBBOZJEAI-CHWSQXEVSA-N 1 0 308.378 2.960 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441212234 297176205 /nfs/dbraw/zinc/17/62/05/297176205.db2.gz UAFIXACBUWRACC-QWHCGFSZSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346843 297219940 /nfs/dbraw/zinc/21/99/40/297219940.db2.gz WUDFDCDERDHHCU-KEYYUXOJSA-N 1 0 322.405 2.845 20 5 DFBDRO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000444588064 297240412 /nfs/dbraw/zinc/24/04/12/297240412.db2.gz DFPKWOWHOYKNAF-UHFFFAOYSA-N 1 0 306.366 2.576 20 5 DFBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000446833274 297287661 /nfs/dbraw/zinc/28/76/61/297287661.db2.gz FXVIWYAUCLKQSX-UHFFFAOYSA-N 1 0 304.350 2.520 20 5 DFBDRO Cc1csc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447531423 297306955 /nfs/dbraw/zinc/30/69/55/297306955.db2.gz RBFIDEUDBFGJOC-NEPJUHHUSA-N 1 0 321.406 2.830 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cscn2)n1 ZINC000447559585 297308309 /nfs/dbraw/zinc/30/83/09/297308309.db2.gz AASRSEWFTYDUGU-NEPJUHHUSA-N 1 0 307.379 2.521 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000447560535 297308434 /nfs/dbraw/zinc/30/84/34/297308434.db2.gz DPBBKHZOXBIOQD-BFHYXJOUSA-N 1 0 324.425 2.926 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000447586883 297309470 /nfs/dbraw/zinc/30/94/70/297309470.db2.gz NZXWEWOKSVZWFG-MRXNPFEDSA-N 1 0 312.373 2.903 20 5 DFBDRO COCCOC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585803 297309634 /nfs/dbraw/zinc/30/96/34/297309634.db2.gz LOHGXLIYIMVTIU-MLGOLLRUSA-N 1 0 308.378 2.613 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC(F)(F)F)n1 ZINC000447585630 297309658 /nfs/dbraw/zinc/30/96/58/297309658.db2.gz KZFPQEKTUCLCTI-VHSXEESVSA-N 1 0 306.288 2.817 20 5 DFBDRO CCC(O)(CC)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600740 297310346 /nfs/dbraw/zinc/31/03/46/297310346.db2.gz NICIFUUSVPXMJY-KGLIPLIRSA-N 1 0 324.425 2.806 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCCCC1 ZINC000449085809 297402827 /nfs/dbraw/zinc/40/28/27/297402827.db2.gz AKKZQJLLVRLGOM-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1nc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000449199841 297421682 /nfs/dbraw/zinc/42/16/82/297421682.db2.gz APUJISKSDRYHAU-NSHDSACASA-N 1 0 303.362 2.963 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNc1ccccn1 ZINC000449222830 297425108 /nfs/dbraw/zinc/42/51/08/297425108.db2.gz ISAOHANBRKZWHD-CYBMUJFWSA-N 1 0 300.362 2.623 20 5 DFBDRO CC(C)[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000449314955 297444450 /nfs/dbraw/zinc/44/44/50/297444450.db2.gz GAOXZHDNBGDYBK-DOMZBBRYSA-N 1 0 317.393 2.641 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449509865 297482286 /nfs/dbraw/zinc/48/22/86/297482286.db2.gz JXERLESWNUJUCG-KGLIPLIRSA-N 1 0 306.362 2.725 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449509374 297482402 /nfs/dbraw/zinc/48/24/02/297482402.db2.gz OMPRKFKEWJLKMM-DLBZAZTESA-N 1 0 304.390 2.790 20 5 DFBDRO Nc1c(F)c(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000450884281 297707360 /nfs/dbraw/zinc/70/73/60/297707360.db2.gz ZKLLJKVHOPCBLY-UHFFFAOYSA-N 1 0 308.357 2.745 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451483504 297814045 /nfs/dbraw/zinc/81/40/45/297814045.db2.gz XZQUSASJKOMQLZ-DAXOMENPSA-N 1 0 320.389 2.897 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000451495189 297817119 /nfs/dbraw/zinc/81/71/19/297817119.db2.gz SEWCMBMYWDUGOK-APHBMKBZSA-N 1 0 318.373 2.651 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000451506382 297819583 /nfs/dbraw/zinc/81/95/83/297819583.db2.gz VPCSROBVDZTOMK-VQISRLSMSA-N 1 0 308.378 2.753 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451784665 297874567 /nfs/dbraw/zinc/87/45/67/297874567.db2.gz DQXXXZRYFPDVNF-DFBGVHRSSA-N 1 0 306.362 2.977 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453301936 298081821 /nfs/dbraw/zinc/08/18/21/298081821.db2.gz YEGSZNPAUUUNPT-CWRNSKLLSA-N 1 0 308.378 2.687 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453338830 298084760 /nfs/dbraw/zinc/08/47/60/298084760.db2.gz YYATTYAUHIIAJB-RRQGHBQHSA-N 1 0 320.389 2.613 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453338823 298084802 /nfs/dbraw/zinc/08/48/02/298084802.db2.gz YYATTYAUHIIAJB-IAOVAPTHSA-N 1 0 320.389 2.613 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[C@H]2CCOC2)n1 ZINC000453341186 298084825 /nfs/dbraw/zinc/08/48/25/298084825.db2.gz COAVRGUOGWIHNP-SOUVJXGZSA-N 1 0 322.409 2.681 20 5 DFBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000453623537 298105996 /nfs/dbraw/zinc/10/59/96/298105996.db2.gz BPIKIGXLNDCPTM-SKDRFNHKSA-N 1 0 316.304 2.853 20 5 DFBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000453623532 298106211 /nfs/dbraw/zinc/10/62/11/298106211.db2.gz BPIKIGXLNDCPTM-JOYOIKCWSA-N 1 0 316.304 2.853 20 5 DFBDRO CON1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000453626168 298106778 /nfs/dbraw/zinc/10/67/78/298106778.db2.gz SSBUMXXXLRUZHS-UHFFFAOYSA-N 1 0 313.785 2.706 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454140613 298125185 /nfs/dbraw/zinc/12/51/85/298125185.db2.gz PZRYFSQJKZYYOW-ZDUSSCGKSA-N 1 0 306.366 2.543 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454140608 298125524 /nfs/dbraw/zinc/12/55/24/298125524.db2.gz PZRYFSQJKZYYOW-CYBMUJFWSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000454359497 298161721 /nfs/dbraw/zinc/16/17/21/298161721.db2.gz SJZUYAWMQFTLIE-AWEZNQCLSA-N 1 0 306.366 2.541 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000455087745 298297561 /nfs/dbraw/zinc/29/75/61/298297561.db2.gz XYMHKDKGIATSJA-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000516857539 300363916 /nfs/dbraw/zinc/36/39/16/300363916.db2.gz FXQIVBHBDVTAFV-DAXOMENPSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC3(O)CCCC3)c2c1 ZINC000517129264 300384068 /nfs/dbraw/zinc/38/40/68/300384068.db2.gz HPZKIOZDSXVFSV-UHFFFAOYSA-N 1 0 303.362 2.513 20 5 DFBDRO CCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000517556417 300399166 /nfs/dbraw/zinc/39/91/66/300399166.db2.gz JZNHOGMBEYGTPC-AWEZNQCLSA-N 1 0 322.405 2.895 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000517746007 300405810 /nfs/dbraw/zinc/40/58/10/300405810.db2.gz PZNCUJYNRAUCMR-UHFFFAOYSA-N 1 0 305.378 2.590 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000519768224 300475768 /nfs/dbraw/zinc/47/57/68/300475768.db2.gz LSUFJVPBALWZEJ-CXAGYDPISA-N 1 0 300.358 2.849 20 5 DFBDRO CCOc1cc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000530669187 301062419 /nfs/dbraw/zinc/06/24/19/301062419.db2.gz CYFGFHKWBQWXQS-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531094951 301078860 /nfs/dbraw/zinc/07/88/60/301078860.db2.gz LYNJJBNQZCNCGO-LBPRGKRZSA-N 1 0 323.784 2.697 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531693492 301104341 /nfs/dbraw/zinc/10/43/41/301104341.db2.gz AYROTDBPNBUHAD-CHWSQXEVSA-N 1 0 307.394 2.859 20 5 DFBDRO COc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000532080215 301129135 /nfs/dbraw/zinc/12/91/35/301129135.db2.gz MUXYTNCLZSBYIH-NSHDSACASA-N 1 0 311.357 2.885 20 5 DFBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532239525 301139115 /nfs/dbraw/zinc/13/91/15/301139115.db2.gz CATMHUWLUAFXFN-DOMZBBRYSA-N 1 0 323.393 2.573 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000532299739 301143315 /nfs/dbraw/zinc/14/33/15/301143315.db2.gz RFFVBKBIKMOCAD-ZDUSSCGKSA-N 1 0 307.394 2.883 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)N2C3CCC2CC3)cccc1[N+](=O)[O-] ZINC000532466546 301154455 /nfs/dbraw/zinc/15/44/55/301154455.db2.gz QIGRXFNUPJNAHE-PNESKVBLSA-N 1 0 303.362 2.857 20 5 DFBDRO C[C@@H]1[C@H](C)N(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@H+]1C ZINC000537824113 301312311 /nfs/dbraw/zinc/31/23/11/301312311.db2.gz YJNADQLFMLAYJT-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1noc(CCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539080607 301337640 /nfs/dbraw/zinc/33/76/40/301337640.db2.gz VHFFMABQLMZQGK-LLVKDONJSA-N 1 0 304.350 2.878 20 5 DFBDRO Cc1[nH+]ccc(NCCOc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000539813125 301350351 /nfs/dbraw/zinc/35/03/51/301350351.db2.gz VALYXISJNFLCCW-UHFFFAOYSA-N 1 0 307.737 2.864 20 5 DFBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000540324810 301361619 /nfs/dbraw/zinc/36/16/19/301361619.db2.gz MZWVEIFXGAXTAP-CYBMUJFWSA-N 1 0 318.377 2.929 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000540660404 301366725 /nfs/dbraw/zinc/36/67/25/301366725.db2.gz YHXMYFLJCTVOAA-CYBMUJFWSA-N 1 0 316.357 2.817 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CC2)CC1 ZINC000540751347 301368864 /nfs/dbraw/zinc/36/88/64/301368864.db2.gz CQJLSBAVMWLLSL-NSHDSACASA-N 1 0 303.362 2.844 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000540903916 301373861 /nfs/dbraw/zinc/37/38/61/301373861.db2.gz JSMKRSLGEQBLEY-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CO)C2CCCCC2)c1 ZINC000543836839 301438924 /nfs/dbraw/zinc/43/89/24/301438924.db2.gz TXBPDKNNDVCONR-MRXNPFEDSA-N 1 0 308.378 2.504 20 5 DFBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000548159981 301570584 /nfs/dbraw/zinc/57/05/84/301570584.db2.gz CHQGIGAMCNDPFF-HIFRSBDPSA-N 1 0 307.394 2.705 20 5 DFBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000548480185 301593550 /nfs/dbraw/zinc/59/35/50/301593550.db2.gz QKKBDPRRHDIUNI-UHFFFAOYSA-N 1 0 322.409 2.697 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000561095838 301922813 /nfs/dbraw/zinc/92/28/13/301922813.db2.gz YYQBRGPIHRWMQX-LBPRGKRZSA-N 1 0 321.421 2.820 20 5 DFBDRO Cc1c(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000562746853 301998093 /nfs/dbraw/zinc/99/80/93/301998093.db2.gz XLLLMFJGVOIMQZ-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000562998653 302023163 /nfs/dbraw/zinc/02/31/63/302023163.db2.gz AAXHJHKZFPEJIO-AWEZNQCLSA-N 1 0 308.378 2.504 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418079 302070188 /nfs/dbraw/zinc/07/01/88/302070188.db2.gz SXESEZYXQJBUDC-DOMZBBRYSA-N 1 0 319.405 2.724 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423671 302071327 /nfs/dbraw/zinc/07/13/27/302071327.db2.gz OGPHRKAZUYWFOE-CZUORRHYSA-N 1 0 303.406 2.902 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ncccn1 ZINC000564740632 302155541 /nfs/dbraw/zinc/15/55/41/302155541.db2.gz PEFLIDKNYYHQMM-HIFRSBDPSA-N 1 0 312.373 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H](O)CC(F)(F)F)cc1 ZINC000566117994 302261237 /nfs/dbraw/zinc/26/12/37/302261237.db2.gz RJQRUSBXNGPCIZ-ZDUSSCGKSA-N 1 0 320.311 2.820 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000566474432 302290778 /nfs/dbraw/zinc/29/07/78/302290778.db2.gz GMKXFLRINFAQSB-SGMGOOAPSA-N 1 0 312.316 2.720 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000566631055 302301148 /nfs/dbraw/zinc/30/11/48/302301148.db2.gz SCFWPDPNBZNSHE-ZENOOKHLSA-N 1 0 304.390 2.970 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566781225 302311217 /nfs/dbraw/zinc/31/12/17/302311217.db2.gz KEHACXFJADSPNA-UONOGXRCSA-N 1 0 319.405 2.641 20 5 DFBDRO CCCn1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000566831350 302314701 /nfs/dbraw/zinc/31/47/01/302314701.db2.gz HUXZIPDMTHYXGY-UHFFFAOYSA-N 1 0 303.362 2.975 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000567367162 302354830 /nfs/dbraw/zinc/35/48/30/302354830.db2.gz WRXVIJWHIVIUAN-QWHCGFSZSA-N 1 0 322.409 2.696 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)C[C@H](C)[NH3+] ZINC000567471640 302361553 /nfs/dbraw/zinc/36/15/53/302361553.db2.gz VHPWIQADUHICGO-JGVFFNPUSA-N 1 0 315.757 2.573 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569343165 302513157 /nfs/dbraw/zinc/51/31/57/302513157.db2.gz VCHQFYFVXNUHQM-DTWKUNHWSA-N 1 0 307.375 2.665 20 5 DFBDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000570010045 302550755 /nfs/dbraw/zinc/55/07/55/302550755.db2.gz PRRVUZXSCPSWDA-ZNMIVQPWSA-N 1 0 323.441 2.595 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000570169622 302559770 /nfs/dbraw/zinc/55/97/70/302559770.db2.gz HOQRLZGNVZYKGA-OWCLPIDISA-N 1 0 318.373 2.521 20 5 DFBDRO C[C@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+](C)C ZINC000571171149 302607403 /nfs/dbraw/zinc/60/74/03/302607403.db2.gz DJSRFPCDWORZOJ-ZWNOBZJWSA-N 1 0 319.327 2.986 20 5 DFBDRO CCOc1ccccc1[C@H](CC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000179732938 316017645 /nfs/dbraw/zinc/01/76/45/316017645.db2.gz KCHPOFCMDWVZBW-HNNXBMFYSA-N 1 0 318.377 2.931 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000183304399 316137770 /nfs/dbraw/zinc/13/77/70/316137770.db2.gz STFZLHHUXUGTOK-KRWDZBQOSA-N 1 0 303.406 2.963 20 5 DFBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000185880430 316194267 /nfs/dbraw/zinc/19/42/67/316194267.db2.gz YCJAXMPGJVVEKF-CABCVRRESA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@H]1CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000187982630 316216062 /nfs/dbraw/zinc/21/60/62/316216062.db2.gz WNJIFRDKFWEDKY-XJKSGUPXSA-N 1 0 317.389 2.822 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000317227339 316246945 /nfs/dbraw/zinc/24/69/45/316246945.db2.gz CLWNXNVQUZMZTG-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414523637 316618152 /nfs/dbraw/zinc/61/81/52/316618152.db2.gz YPMCBOGWBMWBOJ-TUAOUCFPSA-N 1 0 324.377 2.515 20 5 DFBDRO Cc1c(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414702051 316635893 /nfs/dbraw/zinc/63/58/93/316635893.db2.gz LLSYDNPQGVQTOM-NEPJUHHUSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1c(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414702057 316636054 /nfs/dbraw/zinc/63/60/54/316636054.db2.gz LLSYDNPQGVQTOM-VXGBXAGGSA-N 1 0 306.366 2.542 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414793603 316660147 /nfs/dbraw/zinc/66/01/47/316660147.db2.gz KXCODWHTYAYZAX-AWEZNQCLSA-N 1 0 303.362 2.928 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000421749544 316757933 /nfs/dbraw/zinc/75/79/33/316757933.db2.gz QUIBUYWUVCAHAO-AWEZNQCLSA-N 1 0 321.421 2.918 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000421767874 316762274 /nfs/dbraw/zinc/76/22/74/316762274.db2.gz CAJDRVBEDIXBFO-UHFFFAOYSA-N 1 0 319.405 2.625 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(F)C1 ZINC000449378033 317033606 /nfs/dbraw/zinc/03/36/06/317033606.db2.gz VAFUUUXWVCZWCG-CKQAKLJMSA-N 1 0 309.341 2.792 20 5 DFBDRO COCC(COC)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000449547390 317040300 /nfs/dbraw/zinc/04/03/00/317040300.db2.gz XTPXALXKWDVFMI-UHFFFAOYSA-N 1 0 320.345 2.606 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000449557382 317043472 /nfs/dbraw/zinc/04/34/72/317043472.db2.gz UTXHLSDJEVXVLV-ILXRZTDVSA-N 1 0 320.389 2.586 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c([N+](=O)[O-])cc1OC ZINC000449559290 317044120 /nfs/dbraw/zinc/04/41/20/317044120.db2.gz ZECZBFWPMJJINL-AAEUAGOBSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1nc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450260730 317077088 /nfs/dbraw/zinc/07/70/88/317077088.db2.gz DWDDDGIFSWKYQF-MBNYWOFBSA-N 1 0 319.409 2.535 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000453078478 317159845 /nfs/dbraw/zinc/15/98/45/317159845.db2.gz IGURCMMJXIMVTD-LSDHHAIUSA-N 1 0 306.362 2.651 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453265493 317172977 /nfs/dbraw/zinc/17/29/77/317172977.db2.gz JUMNVGOZDUKYMG-YJNKXOJESA-N 1 0 324.425 2.926 20 5 DFBDRO CCc1ncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453393343 317182396 /nfs/dbraw/zinc/18/23/96/317182396.db2.gz RNVDPWAKLVFLPN-CHWSQXEVSA-N 1 0 319.365 2.615 20 5 DFBDRO CC[C@H]([NH2+]CCc1cnc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000453395313 317183367 /nfs/dbraw/zinc/18/33/67/317183367.db2.gz HRUCCWXHOALALK-INIZCTEOSA-N 1 0 300.362 2.977 20 5 DFBDRO Cc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000456164819 317223806 /nfs/dbraw/zinc/22/38/06/317223806.db2.gz COQWCBNTZYYPRM-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)CC2CCCCC2)cc1 ZINC000485905685 317340465 /nfs/dbraw/zinc/34/04/65/317340465.db2.gz LKJRMHUUWQGDHF-UHFFFAOYSA-N 1 0 322.405 2.848 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488062925 317363872 /nfs/dbraw/zinc/36/38/72/317363872.db2.gz IPORJKYVYTVJHA-CYBMUJFWSA-N 1 0 314.389 2.709 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](C)c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000491605739 317587213 /nfs/dbraw/zinc/58/72/13/317587213.db2.gz YPIYQWFWYVJHEJ-LLVKDONJSA-N 1 0 318.377 2.886 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000505415494 317686119 /nfs/dbraw/zinc/68/61/19/317686119.db2.gz OLCJHFFCHZPPSC-UHFFFAOYSA-N 1 0 321.421 2.673 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000573188413 318013437 /nfs/dbraw/zinc/01/34/37/318013437.db2.gz GUYUEXVPAZAUKA-HNNXBMFYSA-N 1 0 321.421 2.908 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1 ZINC000575981064 318095529 /nfs/dbraw/zinc/09/55/29/318095529.db2.gz YIMUEJDLDPCDGZ-GWCFXTLKSA-N 1 0 323.418 2.659 20 5 DFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296044 318116923 /nfs/dbraw/zinc/11/69/23/318116923.db2.gz ZECYIBYIUQJKLH-ZIAGYGMSSA-N 1 0 319.405 2.689 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cccc(O)c2)n1 ZINC000576543578 318133381 /nfs/dbraw/zinc/13/33/81/318133381.db2.gz CMKSXALNCLYPMR-HUUCEWRRSA-N 1 0 316.361 2.770 20 5 DFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC000577904745 318225348 /nfs/dbraw/zinc/22/53/48/318225348.db2.gz URJVVBHJIITHIS-CVEARBPZSA-N 1 0 320.389 2.863 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000577929816 318226446 /nfs/dbraw/zinc/22/64/46/318226446.db2.gz UUZWAYPGRXYCEY-ZDUSSCGKSA-N 1 0 319.405 2.687 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000578259745 318248961 /nfs/dbraw/zinc/24/89/61/318248961.db2.gz XBMVPTKVMQCSMK-FEDKZRLMSA-N 1 0 304.390 2.996 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000578340981 318254551 /nfs/dbraw/zinc/25/45/51/318254551.db2.gz QMIUFYPOYISYNI-KCPJHIHWSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000578340982 318254656 /nfs/dbraw/zinc/25/46/56/318254656.db2.gz QMIUFYPOYISYNI-NILFDRSVSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1cc(CN2CCOC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000579469652 318332505 /nfs/dbraw/zinc/33/25/05/318332505.db2.gz CLLDVSGIXXCNQK-OAHLLOKOSA-N 1 0 306.362 2.604 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000382418275 323297950 /nfs/dbraw/zinc/29/79/50/323297950.db2.gz IIOFRFHPYIEVKF-RKDXNWHRSA-N 1 0 314.183 2.897 20 5 DFBDRO [NH3+]CCC1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000389728168 323336044 /nfs/dbraw/zinc/33/60/44/323336044.db2.gz JAZIRIMKNXNFPM-UHFFFAOYSA-N 1 0 318.299 2.574 20 5 DFBDRO Cc1sc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000580302835 323367205 /nfs/dbraw/zinc/36/72/05/323367205.db2.gz ANHWYRGVLRRPOP-SNVBAGLBSA-N 1 0 323.418 2.569 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000584182448 331858473 /nfs/dbraw/zinc/85/84/73/331858473.db2.gz AUHSFOWTMMWNHH-PVUWLOKVSA-N 1 0 318.373 2.510 20 5 DFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000573973258 500590052 /nfs/dbraw/zinc/59/00/52/500590052.db2.gz SHDRCEVQULVBJF-GWCFXTLKSA-N 1 0 314.357 2.629 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424327334 500836279 /nfs/dbraw/zinc/83/62/79/500836279.db2.gz ZBQYCWYJWPBRTR-CYGXGOLOSA-N 1 0 304.390 2.931 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000302084867 534245640 /nfs/dbraw/zinc/24/56/40/534245640.db2.gz KIIDYNZCJHCQKZ-GFCCVEGCSA-N 1 0 321.377 2.668 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000302140134 534246671 /nfs/dbraw/zinc/24/66/71/534246671.db2.gz FELBGUZHXQJYOK-BXUZGUMPSA-N 1 0 321.377 2.522 20 5 DFBDRO CC(C)C[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450215151 517419863 /nfs/dbraw/zinc/41/98/63/517419863.db2.gz LQCRTBXDJMJWER-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCOc1cccc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000364913975 521383540 /nfs/dbraw/zinc/38/35/40/521383540.db2.gz FFCARJMXFQRCIM-TZMCWYRMSA-N 1 0 305.378 2.524 20 5 DFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000315894864 534659655 /nfs/dbraw/zinc/65/96/55/534659655.db2.gz ADIHNELXLJTESD-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000157346878 526871965 /nfs/dbraw/zinc/87/19/65/526871965.db2.gz DZSCEVQCFLLKOB-NEPJUHHUSA-N 1 0 323.418 2.521 20 5 DFBDRO Cc1nc(N2CCC([NH2+]C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000366169025 526963227 /nfs/dbraw/zinc/96/32/27/526963227.db2.gz DWGGKAHGMRPUON-UHFFFAOYSA-N 1 0 304.394 2.799 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000237790919 527204272 /nfs/dbraw/zinc/20/42/72/527204272.db2.gz YUFPUKDKXIGQKX-QGZVFWFLSA-N 1 0 305.381 2.855 20 5 DFBDRO CC(=O)c1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000294871149 527210214 /nfs/dbraw/zinc/21/02/14/527210214.db2.gz DZZLNCCVHHSLHZ-LBPRGKRZSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293069723 527217008 /nfs/dbraw/zinc/21/70/08/527217008.db2.gz MXOYYYSQSFLSNP-AWEZNQCLSA-N 1 0 317.389 2.720 20 5 DFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000294917879 527227854 /nfs/dbraw/zinc/22/78/54/527227854.db2.gz YNQWCXMIEMKCKF-AWEZNQCLSA-N 1 0 319.405 2.708 20 5 DFBDRO [NH3+]C[C@H](NC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000237917877 527227995 /nfs/dbraw/zinc/22/79/95/527227995.db2.gz YUFPUKDKXIGQKX-KRWDZBQOSA-N 1 0 305.381 2.855 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000365160471 527346850 /nfs/dbraw/zinc/34/68/50/527346850.db2.gz QHXRQKWEBKOWRE-UHFFFAOYSA-N 1 0 300.362 2.671 20 5 DFBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000365094986 527361278 /nfs/dbraw/zinc/36/12/78/527361278.db2.gz YDYDBYJZRHABAL-UKRRQHHQSA-N 1 0 323.780 2.592 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccc(F)cc2)C2CC2)c1 ZINC000157457183 527414672 /nfs/dbraw/zinc/41/46/72/527414672.db2.gz MREBDWOOHHBLMB-UHFFFAOYSA-N 1 0 304.325 2.595 20 5 DFBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000302781522 527860624 /nfs/dbraw/zinc/86/06/24/527860624.db2.gz RWMPEZPUBNAOOJ-LLVKDONJSA-N 1 0 315.320 2.727 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000298245224 527940273 /nfs/dbraw/zinc/94/02/73/527940273.db2.gz CUHOBZNOWYOGQR-ZNMIVQPWSA-N 1 0 310.419 2.636 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296540229 528062772 /nfs/dbraw/zinc/06/27/72/528062772.db2.gz FAILSNIJMHXVNB-AVGNSLFASA-N 1 0 307.394 2.939 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298620200 528815885 /nfs/dbraw/zinc/81/58/85/528815885.db2.gz ORFPNQISCTZTIL-UHFFFAOYSA-N 1 0 319.361 2.801 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000323295553 528819357 /nfs/dbraw/zinc/81/93/57/528819357.db2.gz QQWZSEBXNMRAAU-UHFFFAOYSA-N 1 0 320.393 2.622 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000318366900 529059033 /nfs/dbraw/zinc/05/90/33/529059033.db2.gz DUHCLVJGCVVPND-SECBINFHSA-N 1 0 318.299 2.905 20 5 DFBDRO CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000317436217 529158932 /nfs/dbraw/zinc/15/89/32/529158932.db2.gz REIIAHOCUIKKPM-CQSZACIVSA-N 1 0 307.394 2.940 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000295294139 529355568 /nfs/dbraw/zinc/35/55/68/529355568.db2.gz UORFQCKCKAAYOA-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CCO)C1 ZINC000357822406 535021725 /nfs/dbraw/zinc/02/17/25/535021725.db2.gz YPWWXMIUSQPYFR-CYBMUJFWSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@](C)(C[NH3+])C1 ZINC000261928277 535022376 /nfs/dbraw/zinc/02/23/76/535022376.db2.gz ZPJACALUZZRKSV-MRXNPFEDSA-N 1 0 307.394 2.553 20 5 DFBDRO CC(C)(CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000358264568 535135079 /nfs/dbraw/zinc/13/50/79/535135079.db2.gz MJZKVQPOORHJFR-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000261650732 535461872 /nfs/dbraw/zinc/46/18/72/535461872.db2.gz FGUIZAHXBNVKFO-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459246586 299066198 /nfs/dbraw/zinc/06/61/98/299066198.db2.gz CFTUFSGSLCTEKH-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NCCC[NH+]1CCCCC1)CCN2 ZINC000302825377 230843624 /nfs/dbraw/zinc/84/36/24/230843624.db2.gz GTHUYLRPUCOCPT-UHFFFAOYSA-N 1 0 304.394 2.851 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1Br ZINC000081941370 192343993 /nfs/dbraw/zinc/34/39/93/192343993.db2.gz YOTDJDMGANPSTI-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO COC(=O)c1coc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000278629293 214287995 /nfs/dbraw/zinc/28/79/95/214287995.db2.gz GUYOYRWORDGOFN-LLVKDONJSA-N 1 0 318.329 2.868 20 5 DFBDRO CC[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000078966895 185136708 /nfs/dbraw/zinc/13/67/08/185136708.db2.gz SNCCFLGTJPCOCW-INIZCTEOSA-N 1 0 313.357 2.935 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000309787900 231105764 /nfs/dbraw/zinc/10/57/64/231105764.db2.gz GYUCJHKCTMBDJX-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000317323794 231161108 /nfs/dbraw/zinc/16/11/08/231161108.db2.gz WGJIWNUQFOFIPV-GHMZBOCLSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000323315627 231216369 /nfs/dbraw/zinc/21/63/69/231216369.db2.gz SFPCVQMOOWPQGE-UHFFFAOYSA-N 1 0 311.341 2.801 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000320917634 231198551 /nfs/dbraw/zinc/19/85/51/231198551.db2.gz CIRXEEBGCIEXDA-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000596167632 398346392 /nfs/dbraw/zinc/34/63/92/398346392.db2.gz FPAIDCYWVKILOK-CMPLNLGQSA-N 1 0 310.785 2.564 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596230844 398362919 /nfs/dbraw/zinc/36/29/19/398362919.db2.gz CLCOJPBUPNWDFS-QWRGUYRKSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596230845 398363317 /nfs/dbraw/zinc/36/33/17/398363317.db2.gz CLCOJPBUPNWDFS-WDEREUQCSA-N 1 0 310.785 2.706 20 5 DFBDRO CC(C)(C)C1=CC[N@H+](CCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596234875 398363930 /nfs/dbraw/zinc/36/39/30/398363930.db2.gz XBZUPJRCWRKYBX-UHFFFAOYSA-N 1 0 320.393 2.786 20 5 DFBDRO C[NH+](C)Cc1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1F ZINC000413216035 295686897 /nfs/dbraw/zinc/68/68/97/295686897.db2.gz QDBOQLRTHOKIFC-UHFFFAOYSA-N 1 0 322.315 2.942 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000592059259 398378537 /nfs/dbraw/zinc/37/85/37/398378537.db2.gz YUOZSAWLTNNCPI-OAHLLOKOSA-N 1 0 319.405 2.534 20 5 DFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068413 185280795 /nfs/dbraw/zinc/28/07/95/185280795.db2.gz UAIHAJBPLANYGQ-DOMZBBRYSA-N 1 0 307.394 2.940 20 5 DFBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000272832084 210232230 /nfs/dbraw/zinc/23/22/30/210232230.db2.gz LGQDRPKLGTUTNM-BDJLRTHQSA-N 1 0 301.346 2.659 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090453930 185297330 /nfs/dbraw/zinc/29/73/30/185297330.db2.gz WJYZJUISOWAYPK-FZMZJTMJSA-N 1 0 300.362 2.834 20 5 DFBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538344 185301617 /nfs/dbraw/zinc/30/16/17/185301617.db2.gz KLZFOHBPBQFORH-CYBMUJFWSA-N 1 0 318.377 2.929 20 5 DFBDRO CC(C)C[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559467 185303456 /nfs/dbraw/zinc/30/34/56/185303456.db2.gz DBDFFJCTRGRWOC-AWEZNQCLSA-N 1 0 307.394 2.657 20 5 DFBDRO C[N@H+](CCC(C)(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592144557 398391615 /nfs/dbraw/zinc/39/16/15/398391615.db2.gz NABGKBAMTUIDEE-AWEZNQCLSA-N 1 0 310.394 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000592156408 398393572 /nfs/dbraw/zinc/39/35/72/398393572.db2.gz PUGYCYAANZRXIU-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1COc2ccccc2O1 ZINC000015296968 398395214 /nfs/dbraw/zinc/39/52/14/398395214.db2.gz QZAYBRWFHSMAJM-OAHLLOKOSA-N 1 0 314.341 2.867 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180264 398397123 /nfs/dbraw/zinc/39/71/23/398397123.db2.gz CIKZVKGZRDIDLC-YNEHKIRRSA-N 1 0 303.362 2.620 20 5 DFBDRO Cc1cc(NC[C@@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272817717 210216920 /nfs/dbraw/zinc/21/69/20/210216920.db2.gz IDPFGHSWQOXZIE-GFCCVEGCSA-N 1 0 315.251 2.787 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181427698 199295395 /nfs/dbraw/zinc/29/53/95/199295395.db2.gz JPUBNXXCPBBDAK-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181526606 199312432 /nfs/dbraw/zinc/31/24/32/199312432.db2.gz MHADMFIEZFHZLW-CYBMUJFWSA-N 1 0 318.333 2.571 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181531562 199312974 /nfs/dbraw/zinc/31/29/74/199312974.db2.gz DFVJRYWGNUZGSC-INIZCTEOSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537333 199313481 /nfs/dbraw/zinc/31/34/81/199313481.db2.gz FUABHYPKDIHGGJ-BZNIZROVSA-N 1 0 302.330 2.685 20 5 DFBDRO Cc1cc(N2CC[C@H]([C@@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272808313 210209531 /nfs/dbraw/zinc/20/95/31/210209531.db2.gz GHXQKRWLRFJWEX-NEPJUHHUSA-N 1 0 301.346 2.659 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181561047 199318313 /nfs/dbraw/zinc/31/83/13/199318313.db2.gz XRYRMDKAXYVMPX-CABCVRRESA-N 1 0 310.394 2.812 20 5 DFBDRO CCc1nn(C)c(N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301988605 529767638 /nfs/dbraw/zinc/76/76/38/529767638.db2.gz NTHQDWAPWNOBRT-JHJVBQTASA-N 1 0 323.441 2.669 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000181546132 199315141 /nfs/dbraw/zinc/31/51/41/199315141.db2.gz PVBYNKPEBGXUPG-ZDUSSCGKSA-N 1 0 318.333 2.571 20 5 DFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000592210812 398403057 /nfs/dbraw/zinc/40/30/57/398403057.db2.gz CDVRCDVAXQDRBF-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C)C1 ZINC000592252175 398407929 /nfs/dbraw/zinc/40/79/29/398407929.db2.gz VJPGQSAVXYEGIH-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000181592654 199324437 /nfs/dbraw/zinc/32/44/37/199324437.db2.gz RZBAXYFLHQCDFS-UONOGXRCSA-N 1 0 310.394 2.701 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181635412 199330326 /nfs/dbraw/zinc/33/03/26/199330326.db2.gz MZSXRLQIDCTBID-LBPRGKRZSA-N 1 0 317.345 2.728 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596439119 398412071 /nfs/dbraw/zinc/41/20/71/398412071.db2.gz BQRTUVOHNYDYOD-LLVKDONJSA-N 1 0 324.356 2.728 20 5 DFBDRO CC(C)Cn1nccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000592365863 398416498 /nfs/dbraw/zinc/41/64/98/398416498.db2.gz AXYQXWMPZUMVNJ-UHFFFAOYSA-N 1 0 302.378 2.780 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000592357246 398415445 /nfs/dbraw/zinc/41/54/45/398415445.db2.gz YGIJOKYSTZYOIG-JTQLQIEISA-N 1 0 310.260 2.542 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584833019 398418528 /nfs/dbraw/zinc/41/85/28/398418528.db2.gz PUADLYLVCZJXMF-CQSZACIVSA-N 1 0 317.389 2.522 20 5 DFBDRO Cc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426218 398424442 /nfs/dbraw/zinc/42/44/42/398424442.db2.gz NBHMKONTVDEXNJ-HZPDHXFCSA-N 1 0 303.406 2.867 20 5 DFBDRO C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000584876147 398424534 /nfs/dbraw/zinc/42/45/34/398424534.db2.gz RCDKWMVRAHQJAI-ZIAGYGMSSA-N 1 0 319.405 2.546 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592427690 398425687 /nfs/dbraw/zinc/42/56/87/398425687.db2.gz QJDQPXSKQDNMIS-DOMZBBRYSA-N 1 0 307.394 2.553 20 5 DFBDRO CC(C)C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000023887583 398426971 /nfs/dbraw/zinc/42/69/71/398426971.db2.gz XTGVHROFMGDEFP-JTQLQIEISA-N 1 0 311.411 2.692 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCS[C@H]1C ZINC000592397970 398421080 /nfs/dbraw/zinc/42/10/80/398421080.db2.gz HAFXAZLTIJDKSM-SUNKGSAMSA-N 1 0 323.418 2.796 20 5 DFBDRO C[N@H+](CC1CCCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378587 398432192 /nfs/dbraw/zinc/43/21/92/398432192.db2.gz MFHCPMCAUPJPHW-INIZCTEOSA-N 1 0 317.389 2.822 20 5 DFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1[NH3+] ZINC000592487976 398432661 /nfs/dbraw/zinc/43/26/61/398432661.db2.gz DUOPLAXRFVJYBH-CZUORRHYSA-N 1 0 321.421 2.941 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000592501325 398435320 /nfs/dbraw/zinc/43/53/20/398435320.db2.gz IWOABDDLWKDTFB-GOEBONIOSA-N 1 0 319.405 2.707 20 5 DFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000592568284 398446094 /nfs/dbraw/zinc/44/60/94/398446094.db2.gz MBWZAIMTZASMMX-JTQLQIEISA-N 1 0 323.780 2.653 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592568973 398445695 /nfs/dbraw/zinc/44/56/95/398445695.db2.gz SLENQPLGVYWNNW-AWEZNQCLSA-N 1 0 317.389 2.562 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000459433051 299105452 /nfs/dbraw/zinc/10/54/52/299105452.db2.gz ZYPPZFJJQPFJOT-NWANDNLSSA-N 1 0 310.419 2.636 20 5 DFBDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000269773231 398447286 /nfs/dbraw/zinc/44/72/86/398447286.db2.gz CDOMOAOKWYLUMU-DZGCQCFKSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796349 398447796 /nfs/dbraw/zinc/44/77/96/398447796.db2.gz RJEYUUBKJYWONN-ZIAGYGMSSA-N 1 0 319.405 2.942 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796333 398447914 /nfs/dbraw/zinc/44/79/14/398447914.db2.gz QLAHJIVBDUFTKC-STQMWFEESA-N 1 0 305.378 2.633 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026161131 398450623 /nfs/dbraw/zinc/45/06/23/398450623.db2.gz RXBVZVNCPADZMT-STQMWFEESA-N 1 0 305.378 2.901 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026161181 398451022 /nfs/dbraw/zinc/45/10/22/398451022.db2.gz GKWOBLUIAOJDQC-CHWSQXEVSA-N 1 0 305.378 2.901 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000299364477 529990390 /nfs/dbraw/zinc/99/03/90/529990390.db2.gz WETMXKOTOBPYLD-KRWDZBQOSA-N 1 0 300.358 2.630 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(CO)CCCCC2)c(F)c1 ZINC000586767894 398456340 /nfs/dbraw/zinc/45/63/40/398456340.db2.gz JXLCKOINPRYKCJ-UHFFFAOYSA-N 1 0 300.305 2.658 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000596625307 398464212 /nfs/dbraw/zinc/46/42/12/398464212.db2.gz BPZZNBQKEROWOS-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027743284 398466179 /nfs/dbraw/zinc/46/61/79/398466179.db2.gz WWXMHNBRGPYVSN-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[N@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000459467415 299113984 /nfs/dbraw/zinc/11/39/84/299113984.db2.gz SAUBEIUNNSQVKI-BETUJISGSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ncc(-c2cccc(OCC[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000596632135 398465328 /nfs/dbraw/zinc/46/53/28/398465328.db2.gz YBZMMMXEZPGQDU-UHFFFAOYSA-N 1 0 301.346 2.906 20 5 DFBDRO CC(C)(C)OCCCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000355282947 534977431 /nfs/dbraw/zinc/97/74/31/534977431.db2.gz SIBPTAXEFXNZFH-UHFFFAOYSA-N 1 0 307.394 2.943 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)c1 ZINC000083411531 192369812 /nfs/dbraw/zinc/36/98/12/192369812.db2.gz JRWZXLRSMQOHTA-KRWDZBQOSA-N 1 0 320.389 2.755 20 5 DFBDRO CC(C)([NH2+]CCn1cc(Cl)cn1)c1ccccc1[N+](=O)[O-] ZINC000459482713 299117802 /nfs/dbraw/zinc/11/78/02/299117802.db2.gz BACXRTLETVFHIQ-UHFFFAOYSA-N 1 0 308.769 2.970 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000227409878 201799964 /nfs/dbraw/zinc/79/99/64/201799964.db2.gz FGMXTDNERPQZBF-UHFFFAOYSA-N 1 0 323.393 2.642 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000592773301 398482580 /nfs/dbraw/zinc/48/25/80/398482580.db2.gz UCUZSEMBCSRMQU-CABCVRRESA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000181810310 199354897 /nfs/dbraw/zinc/35/48/97/199354897.db2.gz MHXQAMYQEFBGNT-SNVBAGLBSA-N 1 0 320.374 2.649 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090412544 398486547 /nfs/dbraw/zinc/48/65/47/398486547.db2.gz AUYIYBJOSSVBEG-HOCLYGCPSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029623217 398488813 /nfs/dbraw/zinc/48/88/13/398488813.db2.gz GOUDZUBAHQTTOA-LLVKDONJSA-N 1 0 308.338 2.789 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909803 398497519 /nfs/dbraw/zinc/49/75/19/398497519.db2.gz KBIHCFFWGOARIB-OAHLLOKOSA-N 1 0 300.362 2.538 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCSCC2)cc1[N+](=O)[O-] ZINC000305100073 398504857 /nfs/dbraw/zinc/50/48/57/398504857.db2.gz ATPFPQVCOBDHJG-LBPRGKRZSA-N 1 0 310.419 2.812 20 5 DFBDRO CC(C)[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000313362508 398515872 /nfs/dbraw/zinc/51/58/72/398515872.db2.gz QJSQYWQSLTWZRD-ZDUSSCGKSA-N 1 0 309.757 2.544 20 5 DFBDRO CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000596867655 398518951 /nfs/dbraw/zinc/51/89/51/398518951.db2.gz SNFXIZQIDUKYGQ-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279667478 215046478 /nfs/dbraw/zinc/04/64/78/215046478.db2.gz DSARXRNBABGZJG-CQSZACIVSA-N 1 0 321.421 2.698 20 5 DFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000272660517 210065977 /nfs/dbraw/zinc/06/59/77/210065977.db2.gz BTTZIICIQCIDLK-SNVBAGLBSA-N 1 0 323.780 2.628 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC23CCCC3)c2c(c1)COCO2 ZINC000593040002 398528091 /nfs/dbraw/zinc/52/80/91/398528091.db2.gz VCIPOICGLHKCMZ-UHFFFAOYSA-N 1 0 304.346 2.980 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272653448 210059311 /nfs/dbraw/zinc/05/93/11/210059311.db2.gz FMHYAJPKIIWXGQ-LBPRGKRZSA-N 1 0 317.389 2.537 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000091457698 398530354 /nfs/dbraw/zinc/53/03/54/398530354.db2.gz QNLOPZOQCOSWFO-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000593048477 398530620 /nfs/dbraw/zinc/53/06/20/398530620.db2.gz LDKQIUJIBOENBE-OCCSQVGLSA-N 1 0 310.394 2.880 20 5 DFBDRO CC(C)O[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593055800 398532305 /nfs/dbraw/zinc/53/23/05/398532305.db2.gz QEMSGXQFHAVCBB-CQSZACIVSA-N 1 0 308.378 2.863 20 5 DFBDRO COc1ccc(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414074880 295764212 /nfs/dbraw/zinc/76/42/12/295764212.db2.gz GWQIOMPZUBNFKC-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000032732198 398537335 /nfs/dbraw/zinc/53/73/35/398537335.db2.gz WNBIVZKEOPZBAK-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO CC(=O)c1ccc(N2CCC[N@@H+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000068916436 398537423 /nfs/dbraw/zinc/53/74/23/398537423.db2.gz AMSZTTZJDWXUSM-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593077050 398538385 /nfs/dbraw/zinc/53/83/85/398538385.db2.gz VSJACISZQVGVQO-CYBMUJFWSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459605602 299145903 /nfs/dbraw/zinc/14/59/03/299145903.db2.gz DEARLJKPKHGSTN-UKPHBRMFSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459609130 299146869 /nfs/dbraw/zinc/14/68/69/299146869.db2.gz IQVGCXAJCISTAO-CPUCHLNUSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000320191203 398546700 /nfs/dbraw/zinc/54/67/00/398546700.db2.gz AGOYVXPSBUDURK-YUMQZZPRSA-N 1 0 302.172 2.895 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000320798711 398549587 /nfs/dbraw/zinc/54/95/87/398549587.db2.gz GVFBQJWOWSLWSN-HTQZYQBOSA-N 1 0 302.172 2.895 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414239419 295779915 /nfs/dbraw/zinc/77/99/15/295779915.db2.gz YPRAOYRPSVTJSU-MDZLAQPJSA-N 1 0 323.418 2.796 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000322374993 398557483 /nfs/dbraw/zinc/55/74/83/398557483.db2.gz BNZJABNSRMNISB-SJORKVTESA-N 1 0 321.421 2.746 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000589502052 398557521 /nfs/dbraw/zinc/55/75/21/398557521.db2.gz GRKYFSSCTXPXHT-VXGBXAGGSA-N 1 0 306.362 2.859 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000414331060 295788748 /nfs/dbraw/zinc/78/87/48/295788748.db2.gz CSISNFKDIYPZSR-NEPJUHHUSA-N 1 0 323.393 2.557 20 5 DFBDRO COCc1csc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000597127069 398571148 /nfs/dbraw/zinc/57/11/48/398571148.db2.gz KOXBESSRTPBARE-UHFFFAOYSA-N 1 0 321.402 2.768 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000593203878 398571567 /nfs/dbraw/zinc/57/15/67/398571567.db2.gz JQAVULIBYWGDFE-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO CC(C)C[N@H+](C)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593204166 398571703 /nfs/dbraw/zinc/57/17/03/398571703.db2.gz WFZCMNWKPMFCSV-CQSZACIVSA-N 1 0 321.421 2.792 20 5 DFBDRO Cn1cc(C[NH+]2CC(C3CC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000589736840 398573460 /nfs/dbraw/zinc/57/34/60/398573460.db2.gz RWSBXCKVNHYAHT-UHFFFAOYSA-N 1 0 312.373 2.837 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Br ZINC000070447973 190895156 /nfs/dbraw/zinc/89/51/56/190895156.db2.gz HRZHFAISXXMQHV-JTQLQIEISA-N 1 0 302.172 2.753 20 5 DFBDRO C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1C[NH3+] ZINC000593229892 398576253 /nfs/dbraw/zinc/57/62/53/398576253.db2.gz RGZCQYGAMMIHBP-NWDGAFQWSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069612183 398578628 /nfs/dbraw/zinc/57/86/28/398578628.db2.gz TWBWDNOCIPNCBT-UHFFFAOYSA-N 1 0 320.393 2.851 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000092612795 398587242 /nfs/dbraw/zinc/58/72/42/398587242.db2.gz BCMOCVFQHSDFHM-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000042506008 398592853 /nfs/dbraw/zinc/59/28/53/398592853.db2.gz BGDRDRGSBYYOTI-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO CC(C)C[NH+]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000170874308 197843604 /nfs/dbraw/zinc/84/36/04/197843604.db2.gz KVYLTULBLCNWAC-FNORWQNLSA-N 1 0 303.406 2.882 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593314790 398596882 /nfs/dbraw/zinc/59/68/82/398596882.db2.gz IIJSBQZEYCVBNW-YOEHRIQHSA-N 1 0 319.405 2.554 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000042626708 398597133 /nfs/dbraw/zinc/59/71/33/398597133.db2.gz WMKAFRXQDLHWRA-UHFFFAOYSA-N 1 0 320.393 2.837 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000042626709 398597393 /nfs/dbraw/zinc/59/73/93/398597393.db2.gz BTALHLCSTMQJBH-UHFFFAOYSA-N 1 0 320.393 2.837 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](CO)C2)o1 ZINC000092763801 398600052 /nfs/dbraw/zinc/60/00/52/398600052.db2.gz RYFLFTYVEAABME-LBPRGKRZSA-N 1 0 302.330 2.669 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000597236944 398600907 /nfs/dbraw/zinc/60/09/07/398600907.db2.gz ZHMRZQZFDYEFLU-GOEBONIOSA-N 1 0 306.362 2.806 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092826733 398602369 /nfs/dbraw/zinc/60/23/69/398602369.db2.gz XGFAVEKVQKPMFQ-AWEZNQCLSA-N 1 0 317.393 2.606 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CCCCC1 ZINC000071088455 398610247 /nfs/dbraw/zinc/61/02/47/398610247.db2.gz AOMQYZIBKULXEP-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000459683313 299164100 /nfs/dbraw/zinc/16/41/00/299164100.db2.gz TXYFLKQRTIJDFO-ZFWWWQNUSA-N 1 0 318.373 2.604 20 5 DFBDRO COc1cccc([C@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)c1 ZINC000072520391 398618237 /nfs/dbraw/zinc/61/82/37/398618237.db2.gz NLLQJIRHKFMICB-HNNXBMFYSA-N 1 0 316.361 2.713 20 5 DFBDRO O=[N+]([O-])c1cccnc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000149476562 186050038 /nfs/dbraw/zinc/05/00/38/186050038.db2.gz BAXLMTNFUCHENX-UHFFFAOYSA-N 1 0 313.361 2.713 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043347039 398619641 /nfs/dbraw/zinc/61/96/41/398619641.db2.gz GKDRHTFCOVGJRB-LLVKDONJSA-N 1 0 308.382 2.755 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150753694 186063708 /nfs/dbraw/zinc/06/37/08/186063708.db2.gz ZCXYIWLZZNXGFE-AWEZNQCLSA-N 1 0 317.389 2.685 20 5 DFBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000459694144 299166284 /nfs/dbraw/zinc/16/62/84/299166284.db2.gz DEHAUYBLLYJRPJ-HIFRSBDPSA-N 1 0 318.373 2.604 20 5 DFBDRO CC(C)(c1nc(C2([NH3+])CCC2)no1)c1ccccc1[N+](=O)[O-] ZINC000414631416 295809190 /nfs/dbraw/zinc/80/91/90/295809190.db2.gz XBSQKKIGVDARHO-UHFFFAOYSA-N 1 0 302.334 2.642 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(C)C)CC1 ZINC000287176752 219361984 /nfs/dbraw/zinc/36/19/84/219361984.db2.gz ZENNRUVJIBXQHN-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593478746 398641170 /nfs/dbraw/zinc/64/11/70/398641170.db2.gz GHEZAPBEFZPFBJ-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)C[N@H+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000593479339 398641421 /nfs/dbraw/zinc/64/14/21/398641421.db2.gz BAVNUYZVLNICTD-UHFFFAOYSA-N 1 0 323.422 2.989 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000177893882 186200344 /nfs/dbraw/zinc/20/03/44/186200344.db2.gz USXBKUXMPMUUFF-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000414662936 295813166 /nfs/dbraw/zinc/81/31/66/295813166.db2.gz RQXIXQDJVURFOY-WCQYABFASA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871144 398643724 /nfs/dbraw/zinc/64/37/24/398643724.db2.gz OTBMSBCAZZPLGW-TXEJJXNPSA-N 1 0 305.378 2.820 20 5 DFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000044523761 398646989 /nfs/dbraw/zinc/64/69/89/398646989.db2.gz JDBYZOPOCHUGBF-MNOVXSKESA-N 1 0 311.407 2.649 20 5 DFBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000191829485 186260053 /nfs/dbraw/zinc/26/00/53/186260053.db2.gz FTULDJKZNFYGIE-HUBLWGQQSA-N 1 0 306.362 2.787 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000414696256 295817145 /nfs/dbraw/zinc/81/71/45/295817145.db2.gz HBBDDBXNTYZLHE-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839885 186372072 /nfs/dbraw/zinc/37/20/72/186372072.db2.gz ANNRMZKNXGBBJN-ZWNOBZJWSA-N 1 0 303.362 2.835 20 5 DFBDRO CCc1nn(C)c(NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000094137064 398654486 /nfs/dbraw/zinc/65/44/86/398654486.db2.gz ISKPLVQSAXVNIQ-BETUJISGSA-N 1 0 323.441 2.671 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000280057967 215343856 /nfs/dbraw/zinc/34/38/56/215343856.db2.gz MMTJYLOWMKCCTB-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000459739928 299178055 /nfs/dbraw/zinc/17/80/55/299178055.db2.gz BAOZWOMDKYDAPQ-CABCVRRESA-N 1 0 324.352 2.790 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]([NH3+])c1ccccc1 ZINC000414833223 295823860 /nfs/dbraw/zinc/82/38/60/295823860.db2.gz PNIABTWKMKTCEM-MRXNPFEDSA-N 1 0 315.373 2.783 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]([NH3+])c1ccccc1 ZINC000414833221 295823865 /nfs/dbraw/zinc/82/38/65/295823865.db2.gz PNIABTWKMKTCEM-INIZCTEOSA-N 1 0 315.373 2.783 20 5 DFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171886389 198001123 /nfs/dbraw/zinc/00/11/23/198001123.db2.gz ZDXBZNKQWYGITF-LLVKDONJSA-N 1 0 324.768 2.560 20 5 DFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000171887022 198001362 /nfs/dbraw/zinc/00/13/62/198001362.db2.gz FFMCVDFCRKKYPT-GFCCVEGCSA-N 1 0 319.386 2.689 20 5 DFBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171954957 198013960 /nfs/dbraw/zinc/01/39/60/198013960.db2.gz QKNCLDBVHAGALD-GFCCVEGCSA-N 1 0 323.393 2.940 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000459739560 299178437 /nfs/dbraw/zinc/17/84/37/299178437.db2.gz KSLJUPAACCPLFX-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000172180969 198053322 /nfs/dbraw/zinc/05/33/22/198053322.db2.gz NPQFZQBWFYZWES-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000593652400 398666257 /nfs/dbraw/zinc/66/62/57/398666257.db2.gz FYCPXEKHRACHPV-SFHVURJKSA-N 1 0 312.369 2.561 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)nc1 ZINC000590754718 398667203 /nfs/dbraw/zinc/66/72/03/398667203.db2.gz PVTVYTZSPYQVCM-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763373 299185234 /nfs/dbraw/zinc/18/52/34/299185234.db2.gz CIKZVKGZRDIDLC-FRRDWIJNSA-N 1 0 303.362 2.620 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950737 295839464 /nfs/dbraw/zinc/83/94/64/295839464.db2.gz GKROHYRUDRHTPX-WBMJQRKESA-N 1 0 315.373 2.942 20 5 DFBDRO CCC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718933 398677133 /nfs/dbraw/zinc/67/71/33/398677133.db2.gz BJVXZDPMMZCUOE-SJORKVTESA-N 1 0 322.405 2.957 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122540962 282831828 /nfs/dbraw/zinc/83/18/28/282831828.db2.gz CKCGXLGZANDRHF-AWEZNQCLSA-N 1 0 307.394 2.609 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 ZINC000459788610 299193535 /nfs/dbraw/zinc/19/35/35/299193535.db2.gz QVRCKKACMBDYIF-KWCYVHTRSA-N 1 0 314.345 2.923 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000173147037 198189152 /nfs/dbraw/zinc/18/91/52/198189152.db2.gz WXRNPFYNCUPPQN-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1c(C[NH2+][C@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000331870519 234216535 /nfs/dbraw/zinc/21/65/35/234216535.db2.gz TVNHOVWAEGGFSH-AWEZNQCLSA-N 1 0 300.362 2.804 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000173162518 198191182 /nfs/dbraw/zinc/19/11/82/198191182.db2.gz HIXFLGJVHWENCI-CQSZACIVSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597716152 398685251 /nfs/dbraw/zinc/68/52/51/398685251.db2.gz ONRJYLXIWWKRCH-OAHLLOKOSA-N 1 0 323.418 2.523 20 5 DFBDRO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000459815307 299198466 /nfs/dbraw/zinc/19/84/66/299198466.db2.gz YAVHGXMNIWGMBN-AWEZNQCLSA-N 1 0 305.378 2.752 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593917815 398703103 /nfs/dbraw/zinc/70/31/03/398703103.db2.gz YBXOTAMVTUNIAB-KOLCDFICSA-N 1 0 311.407 2.554 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593917814 398703129 /nfs/dbraw/zinc/70/31/29/398703129.db2.gz YBXOTAMVTUNIAB-GXSJLCMTSA-N 1 0 311.407 2.554 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000073848751 398704104 /nfs/dbraw/zinc/70/41/04/398704104.db2.gz SODZMFCUPOWULA-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859672 398705682 /nfs/dbraw/zinc/70/56/82/398705682.db2.gz XMMVMGVPRUFKDG-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597861392 398705819 /nfs/dbraw/zinc/70/58/19/398705819.db2.gz TVWUECIPDYWZGF-LLVKDONJSA-N 1 0 323.368 2.584 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174558231 198352698 /nfs/dbraw/zinc/35/26/98/198352698.db2.gz GNLUFVZZRRFUIB-CQSZACIVSA-N 1 0 317.389 2.543 20 5 DFBDRO C[NH+](C)CCc1ccc(-c2cc(CO)cc([N+](=O)[O-])c2)cc1 ZINC000593952340 398706912 /nfs/dbraw/zinc/70/69/12/398706912.db2.gz JYBFQJMCEBWUQH-UHFFFAOYSA-N 1 0 300.358 2.858 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000174883209 198396897 /nfs/dbraw/zinc/39/68/97/198396897.db2.gz LOSHMOLSFDZPGI-UONOGXRCSA-N 1 0 309.797 2.917 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108494598 398711135 /nfs/dbraw/zinc/71/11/35/398711135.db2.gz QIXJVUHYKIBCKV-AWEZNQCLSA-N 1 0 318.377 2.509 20 5 DFBDRO Cc1cc(N[C@@H](C)Cn2cncn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277079472 213280889 /nfs/dbraw/zinc/28/08/89/213280889.db2.gz JSDLSETXILHYEO-NSHDSACASA-N 1 0 312.333 2.544 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000594015025 398721678 /nfs/dbraw/zinc/72/16/78/398721678.db2.gz SREJSRFKBOTJKN-HNNXBMFYSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597923741 398721828 /nfs/dbraw/zinc/72/18/28/398721828.db2.gz OYWLOZINAGFGSD-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000415416862 295882351 /nfs/dbraw/zinc/88/23/51/295882351.db2.gz LFRKVORKMAAETH-ZDUSSCGKSA-N 1 0 306.366 2.542 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415477523 295885847 /nfs/dbraw/zinc/88/58/47/295885847.db2.gz BJHOPVFLOOGOGO-LBPRGKRZSA-N 1 0 308.382 2.851 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000332365350 234857987 /nfs/dbraw/zinc/85/79/87/234857987.db2.gz UUDIKKLTNUIEHR-ZDUSSCGKSA-N 1 0 324.356 2.682 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287377026 219487563 /nfs/dbraw/zinc/48/75/63/219487563.db2.gz XNFSLTOSSJIANJ-ZYHUDNBSSA-N 1 0 323.418 2.664 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415578920 295891713 /nfs/dbraw/zinc/89/17/13/295891713.db2.gz JHYZFASBCPHQQA-CHWSQXEVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415590016 295892336 /nfs/dbraw/zinc/89/23/36/295892336.db2.gz ZQVRJKWVURPSDA-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000594048947 398732087 /nfs/dbraw/zinc/73/20/87/398732087.db2.gz MUDZYISLPNFYCY-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415664925 295897211 /nfs/dbraw/zinc/89/72/11/295897211.db2.gz USRWJYRLKMXTOH-UHFFFAOYSA-N 1 0 324.381 2.633 20 5 DFBDRO C[C@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000591194751 398738227 /nfs/dbraw/zinc/73/82/27/398738227.db2.gz RELYYOMAYNKWOG-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594093508 398742090 /nfs/dbraw/zinc/74/20/90/398742090.db2.gz BBBMGMKZRJPRIB-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)c1 ZINC000591239960 398742028 /nfs/dbraw/zinc/74/20/28/398742028.db2.gz LBZYBLZDPVPBIJ-GFCCVEGCSA-N 1 0 320.780 2.592 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594096503 398743220 /nfs/dbraw/zinc/74/32/20/398743220.db2.gz DCOQHITUKQUPOI-BETUJISGSA-N 1 0 320.393 2.673 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000591307956 398746913 /nfs/dbraw/zinc/74/69/13/398746913.db2.gz KHYFCKTXPVUXPY-TZMCWYRMSA-N 1 0 320.393 2.748 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281839 398745450 /nfs/dbraw/zinc/74/54/50/398745450.db2.gz OMHWNIOMTHVDHU-QCEMKRCNSA-N 1 0 321.396 2.596 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000114473572 398745587 /nfs/dbraw/zinc/74/55/87/398745587.db2.gz VIBHNHFSXQBSRV-LLVKDONJSA-N 1 0 305.378 2.508 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000591349004 398750842 /nfs/dbraw/zinc/75/08/42/398750842.db2.gz HFCISBPMRRZZTJ-NEPJUHHUSA-N 1 0 313.348 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000591429962 398759301 /nfs/dbraw/zinc/75/93/01/398759301.db2.gz LGUPVEPVEPZYOI-SNVBAGLBSA-N 1 0 301.293 2.750 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591438670 398761100 /nfs/dbraw/zinc/76/11/00/398761100.db2.gz PHYDXQRTDWEXAZ-GXSJLCMTSA-N 1 0 315.295 2.802 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000591442765 398761599 /nfs/dbraw/zinc/76/15/99/398761599.db2.gz RWLXKKMDXYUIEF-KGLIPLIRSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cnc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000591442971 398761676 /nfs/dbraw/zinc/76/16/76/398761676.db2.gz VSBQNDUYZRYFCF-KBPBESRZSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591441393 398761743 /nfs/dbraw/zinc/76/17/43/398761743.db2.gz AHDQCHLKLUOYGC-CHWSQXEVSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591443243 398762427 /nfs/dbraw/zinc/76/24/27/398762427.db2.gz ZDMCOKMMMSAWMJ-ZIAGYGMSSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(N(C)CC[N@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000074742972 398763385 /nfs/dbraw/zinc/76/33/85/398763385.db2.gz UOADKBBBYBIBHC-UHFFFAOYSA-N 1 0 306.410 2.999 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000594203897 398765628 /nfs/dbraw/zinc/76/56/28/398765628.db2.gz VIWAJNDHEAQGRD-HOTGVXAUSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000081330856 192250941 /nfs/dbraw/zinc/25/09/41/192250941.db2.gz JFNONTLRCZGWLJ-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000081291000 192245144 /nfs/dbraw/zinc/24/51/44/192245144.db2.gz BFZYPCKVNJWQCO-LBPRGKRZSA-N 1 0 323.418 2.651 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000591529603 398770309 /nfs/dbraw/zinc/77/03/09/398770309.db2.gz XCGRGSKFELISRY-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)c1 ZINC000416112831 295921864 /nfs/dbraw/zinc/92/18/64/295921864.db2.gz XTRLZJBMFDZFPX-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081363677 192256902 /nfs/dbraw/zinc/25/69/02/192256902.db2.gz YJYIFALCHYYBPJ-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598221937 398774105 /nfs/dbraw/zinc/77/41/05/398774105.db2.gz ZCGZKSZRQLYLLG-CYBMUJFWSA-N 1 0 317.389 2.732 20 5 DFBDRO CC(C)OCC[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000081650673 192306443 /nfs/dbraw/zinc/30/64/43/192306443.db2.gz QYDHEMKAYZUHHM-OAHLLOKOSA-N 1 0 321.421 2.698 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])c1 ZINC000591676575 398779928 /nfs/dbraw/zinc/77/99/28/398779928.db2.gz YCTCTTOENFMXTP-HZMBPMFUSA-N 1 0 323.418 2.516 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591677624 398780056 /nfs/dbraw/zinc/78/00/56/398780056.db2.gz QERDPBSBHAQLFR-NSHDSACASA-N 1 0 323.418 2.579 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598262860 398780095 /nfs/dbraw/zinc/78/00/95/398780095.db2.gz MXUQVYYQMYKHMI-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591677296 398780144 /nfs/dbraw/zinc/78/01/44/398780144.db2.gz GWOLOENKBGVUSH-ZDUSSCGKSA-N 1 0 305.378 2.590 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591754736 398783891 /nfs/dbraw/zinc/78/38/91/398783891.db2.gz SUPVJMXTHPKTNS-SNVBAGLBSA-N 1 0 313.304 2.701 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000236945745 202086941 /nfs/dbraw/zinc/08/69/41/202086941.db2.gz LSZCZOITCBHZQB-HUUCEWRRSA-N 1 0 317.389 2.552 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@]2(CC)CO)ccc1[N+](=O)[O-] ZINC000276919024 213175279 /nfs/dbraw/zinc/17/52/79/213175279.db2.gz OQRBZVBOLAAPLG-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902516 213164427 /nfs/dbraw/zinc/16/44/27/213164427.db2.gz MAGTUFKWVAETPQ-HIFRSBDPSA-N 1 0 321.421 2.908 20 5 DFBDRO CCOc1cc(C[N@H+](C)CCCn2ccnc2)ccc1[N+](=O)[O-] ZINC000276878528 213150782 /nfs/dbraw/zinc/15/07/82/213150782.db2.gz ILWRLLBJUISEAG-UHFFFAOYSA-N 1 0 318.377 2.712 20 5 DFBDRO CCOc1cc(C[N@@H+]2[C@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276826550 213117102 /nfs/dbraw/zinc/11/71/02/213117102.db2.gz ALMFVLJRGDJDRT-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000178764040 198927372 /nfs/dbraw/zinc/92/73/72/198927372.db2.gz RCPFJNZATBKOHT-INIZCTEOSA-N 1 0 321.421 2.746 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000151059334 283275040 /nfs/dbraw/zinc/27/50/40/283275040.db2.gz OWSZDTQTKVYRCH-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC(=O)OC(C)(C)C ZINC000150951879 283271989 /nfs/dbraw/zinc/27/19/89/283271989.db2.gz UMELXUQCHBMQQM-UHFFFAOYSA-N 1 0 324.377 2.637 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC[C@H]1CCCO1 ZINC000594490720 398808108 /nfs/dbraw/zinc/80/81/08/398808108.db2.gz QYGDUKIGTQWQCM-CZUORRHYSA-N 1 0 320.389 2.757 20 5 DFBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cccc(Cl)c1 ZINC000179599078 199061279 /nfs/dbraw/zinc/06/12/79/199061279.db2.gz JIOJQEYXTXEDHY-UHFFFAOYSA-N 1 0 308.769 2.970 20 5 DFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051058603 398815955 /nfs/dbraw/zinc/81/59/55/398815955.db2.gz SQIKGOXDOSOKBE-HNNXBMFYSA-N 1 0 319.405 2.723 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cncn2)CC1 ZINC000075678770 398816661 /nfs/dbraw/zinc/81/66/61/398816661.db2.gz VADYXPXOPDIKSY-GFCCVEGCSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2OCCO2)CC1 ZINC000075684753 398817374 /nfs/dbraw/zinc/81/73/74/398817374.db2.gz XBZFXGSVNOXRJJ-GFCCVEGCSA-N 1 0 306.362 2.741 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000594591250 398825819 /nfs/dbraw/zinc/82/58/19/398825819.db2.gz JDILXBMABGSUEI-TXEJJXNPSA-N 1 0 300.362 2.895 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000594592559 398826261 /nfs/dbraw/zinc/82/62/61/398826261.db2.gz RHHYGRICBMNCCU-JGZJWPJOSA-N 1 0 315.320 2.948 20 5 DFBDRO COC(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594604980 398829992 /nfs/dbraw/zinc/82/99/92/398829992.db2.gz CKVPCPCLVWJUCR-CQSZACIVSA-N 1 0 318.373 2.905 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000598569154 398833539 /nfs/dbraw/zinc/83/35/39/398833539.db2.gz BALIWGJDEYLZMJ-HNNXBMFYSA-N 1 0 319.405 2.788 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000594615328 398833804 /nfs/dbraw/zinc/83/38/04/398833804.db2.gz SLCKJVKZYHKSAM-WFASDCNBSA-N 1 0 312.373 2.631 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000594615327 398833890 /nfs/dbraw/zinc/83/38/90/398833890.db2.gz SLCKJVKZYHKSAM-SWLSCSKDSA-N 1 0 312.373 2.631 20 5 DFBDRO O=[N+]([O-])c1cccc(-n2cc(C[NH2+]C3CCCCC3)nn2)c1 ZINC000594640742 398835516 /nfs/dbraw/zinc/83/55/16/398835516.db2.gz PNPCXETZZVJQLA-UHFFFAOYSA-N 1 0 301.350 2.598 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594692876 398843124 /nfs/dbraw/zinc/84/31/24/398843124.db2.gz DREYLRACICIUFR-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000594693803 398844024 /nfs/dbraw/zinc/84/40/24/398844024.db2.gz VESOYUAOZSONME-HNNXBMFYSA-N 1 0 318.421 2.823 20 5 DFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC000076171057 398845472 /nfs/dbraw/zinc/84/54/72/398845472.db2.gz JUNKORYTAYIEPT-CJNGLKHVSA-N 1 0 317.389 2.652 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594710205 398846533 /nfs/dbraw/zinc/84/65/33/398846533.db2.gz JKICKNBJUUHFBZ-LRDDRELGSA-N 1 0 308.378 2.687 20 5 DFBDRO Cc1nc(N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000594692939 398843375 /nfs/dbraw/zinc/84/33/75/398843375.db2.gz GEQXBDKDHCHDCH-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000052842936 398852308 /nfs/dbraw/zinc/85/23/08/398852308.db2.gz DRFMRRRBRICKFV-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000076329570 398852023 /nfs/dbraw/zinc/85/20/23/398852023.db2.gz VPENWPQYKUJUPF-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000598683886 398855001 /nfs/dbraw/zinc/85/50/01/398855001.db2.gz UFPHQNWZCZDFBY-WMLDXEAASA-N 1 0 319.405 2.695 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000598683885 398855107 /nfs/dbraw/zinc/85/51/07/398855107.db2.gz UFPHQNWZCZDFBY-RHSMWYFYSA-N 1 0 319.405 2.695 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000237333000 202234458 /nfs/dbraw/zinc/23/44/58/202234458.db2.gz PUYOQMLZKLOVRK-MNOVXSKESA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CC1 ZINC000053183759 398864632 /nfs/dbraw/zinc/86/46/32/398864632.db2.gz CISTULZCALTYFO-SECBINFHSA-N 1 0 311.769 2.917 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000076682131 398865023 /nfs/dbraw/zinc/86/50/23/398865023.db2.gz AUJIPYNREHRFAX-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053361022 398869571 /nfs/dbraw/zinc/86/95/71/398869571.db2.gz FDWJDAYQIHOLGL-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CC[C@@H](COC)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000594924513 398872476 /nfs/dbraw/zinc/87/24/76/398872476.db2.gz ZZXUETQNVRVZMK-AWEZNQCLSA-N 1 0 318.377 2.510 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000076850410 398872936 /nfs/dbraw/zinc/87/29/36/398872936.db2.gz CUILVOPSYLQACV-LLVKDONJSA-N 1 0 308.338 2.647 20 5 DFBDRO CCOC(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153276336 283360320 /nfs/dbraw/zinc/36/03/20/283360320.db2.gz JXTRCIRBCLKVHX-UHFFFAOYSA-N 1 0 306.362 2.903 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000594938570 398877223 /nfs/dbraw/zinc/87/72/23/398877223.db2.gz LOKXMKNMPDPZKE-QZKOUSHUSA-N 1 0 306.362 2.833 20 5 DFBDRO COC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594955768 398880861 /nfs/dbraw/zinc/88/08/61/398880861.db2.gz ARBYMGGMDYPVSU-DQOPKJQZSA-N 1 0 320.389 2.639 20 5 DFBDRO COC[C@@H](CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000594956727 398881151 /nfs/dbraw/zinc/88/11/51/398881151.db2.gz ZRJUKANRTQFMPA-RCBBPTIPSA-N 1 0 308.378 2.639 20 5 DFBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CO1 ZINC000594969566 398883740 /nfs/dbraw/zinc/88/37/40/398883740.db2.gz XCCRJDLJLJGTEU-JTQLQIEISA-N 1 0 316.304 2.853 20 5 DFBDRO COc1cc(C[NH2+]CCC(C)(C)F)c([N+](=O)[O-])cc1OC ZINC000594972253 398884927 /nfs/dbraw/zinc/88/49/27/398884927.db2.gz AGWOHRVDDCWWDC-UHFFFAOYSA-N 1 0 300.330 2.840 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594964678 398883267 /nfs/dbraw/zinc/88/32/67/398883267.db2.gz LYKIAMKCRCQGHZ-KBRIMQKVSA-N 1 0 322.405 2.559 20 5 DFBDRO COc1ccc(CN[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000594978988 398885571 /nfs/dbraw/zinc/88/55/71/398885571.db2.gz FMMTXCAYAJXQJO-CQSZACIVSA-N 1 0 321.421 2.813 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1O ZINC000594992832 398887754 /nfs/dbraw/zinc/88/77/54/398887754.db2.gz YYIFLPBHKFYWMP-GFCCVEGCSA-N 1 0 316.304 2.690 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991257 398887758 /nfs/dbraw/zinc/88/77/58/398887758.db2.gz GOIPPEWIJKOHAT-GFCCVEGCSA-N 1 0 300.305 2.984 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000594999248 398888821 /nfs/dbraw/zinc/88/88/21/398888821.db2.gz AZMWMJUVKRBGCR-UHFFFAOYSA-N 1 0 300.305 2.625 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@H](O)C3)s2)cc1 ZINC000595001376 398889234 /nfs/dbraw/zinc/88/92/34/398889234.db2.gz VIXUBAAQUVKLFV-AULYBMBSSA-N 1 0 304.371 2.936 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000468642114 299280760 /nfs/dbraw/zinc/28/07/60/299280760.db2.gz IBXGSPZSHXYNMV-WASHYIJTSA-N 1 0 312.373 2.868 20 5 DFBDRO CCOc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000077220972 398889527 /nfs/dbraw/zinc/88/95/27/398889527.db2.gz FCVLZFTYVSGYBU-UHFFFAOYSA-N 1 0 302.330 2.989 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004458 398889537 /nfs/dbraw/zinc/88/95/37/398889537.db2.gz ADXUQCFSYNWORF-NWDGAFQWSA-N 1 0 323.393 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000595009215 398891290 /nfs/dbraw/zinc/89/12/90/398891290.db2.gz FQAIAHWVMUBXQP-ZIAGYGMSSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000595013977 398891447 /nfs/dbraw/zinc/89/14/47/398891447.db2.gz SYIABSNYBXUJDM-OLZOCXBDSA-N 1 0 307.394 2.596 20 5 DFBDRO CCCC[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014462 398891490 /nfs/dbraw/zinc/89/14/90/398891490.db2.gz AJSZJYNMRWRNNO-CYBMUJFWSA-N 1 0 309.410 2.986 20 5 DFBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012136 398891694 /nfs/dbraw/zinc/89/16/94/398891694.db2.gz OJGVQMJUNOKQAU-STQMWFEESA-N 1 0 309.410 2.984 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595009642 398890941 /nfs/dbraw/zinc/89/09/41/398890941.db2.gz ZDNAZSZLBUGICB-SJKOYZFVSA-N 1 0 316.357 2.815 20 5 DFBDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598915963 398892774 /nfs/dbraw/zinc/89/27/74/398892774.db2.gz RMXLPSAQOWJSHH-XPTSAGLGSA-N 1 0 324.768 2.593 20 5 DFBDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598915964 398892943 /nfs/dbraw/zinc/89/29/43/398892943.db2.gz RMXLPSAQOWJSHH-YMTOWFKASA-N 1 0 324.768 2.593 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595024981 398893869 /nfs/dbraw/zinc/89/38/69/398893869.db2.gz IQRHGFWLABZZBJ-AGIUHOORSA-N 1 0 307.394 2.737 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000595023745 398894310 /nfs/dbraw/zinc/89/43/10/398894310.db2.gz YCFRBQMKUUAHKK-JQWIXIFHSA-N 1 0 316.361 2.535 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nccnc1C ZINC000595037545 398895975 /nfs/dbraw/zinc/89/59/75/398895975.db2.gz HGAHNXIZLXAKLD-NSHDSACASA-N 1 0 316.361 2.595 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000595045187 398897067 /nfs/dbraw/zinc/89/70/67/398897067.db2.gz YGRIBZOTFDYVSH-LBPRGKRZSA-N 1 0 318.377 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3COC4(CCC4)C3)c2c1 ZINC000595051398 398898333 /nfs/dbraw/zinc/89/83/33/398898333.db2.gz OWLUCJOSZZMLIV-ZDUSSCGKSA-N 1 0 315.373 2.920 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3COC4(CCC4)C3)c2c1 ZINC000595051397 398898445 /nfs/dbraw/zinc/89/84/45/398898445.db2.gz OWLUCJOSZZMLIV-CYBMUJFWSA-N 1 0 315.373 2.920 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595060314 398899885 /nfs/dbraw/zinc/89/98/85/398899885.db2.gz GNCSMDOXYGOREF-SDNTUTLCSA-N 1 0 322.405 2.812 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595065868 398901190 /nfs/dbraw/zinc/90/11/90/398901190.db2.gz WFOLLBNOVBRMSV-GUDXXQAFSA-N 1 0 322.405 2.812 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186796076 200012105 /nfs/dbraw/zinc/01/21/05/200012105.db2.gz ZYXZIYULXKIIQD-UHFFFAOYSA-N 1 0 319.405 2.686 20 5 DFBDRO Cc1cncc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000595089241 398903620 /nfs/dbraw/zinc/90/36/20/398903620.db2.gz GDRLZNGPJCGHHY-ZDUSSCGKSA-N 1 0 314.389 2.847 20 5 DFBDRO Cc1cncc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000595089240 398904115 /nfs/dbraw/zinc/90/41/15/398904115.db2.gz GDRLZNGPJCGHHY-CYBMUJFWSA-N 1 0 314.389 2.847 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CO)C1 ZINC000595105088 398906247 /nfs/dbraw/zinc/90/62/47/398906247.db2.gz XFQQKSNOGNZFTE-CPCZMJQVSA-N 1 0 310.419 2.826 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000182958876 283453725 /nfs/dbraw/zinc/45/37/25/283453725.db2.gz FLSUPDUPWMTUST-CHWSQXEVSA-N 1 0 319.405 2.972 20 5 DFBDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595107646 398906414 /nfs/dbraw/zinc/90/64/14/398906414.db2.gz PAWUGXRVUJPGMR-HZSPNIEDSA-N 1 0 322.409 2.680 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599007634 398906802 /nfs/dbraw/zinc/90/68/02/398906802.db2.gz RPKSIONJOQAPTD-CJNGLKHVSA-N 1 0 306.362 2.651 20 5 DFBDRO COC(=O)[C@]1(C)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470182870 299293640 /nfs/dbraw/zinc/29/36/40/299293640.db2.gz OCPHWEHCRUBRIM-HOFZKYPUSA-N 1 0 318.373 2.883 20 5 DFBDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000598996821 398905972 /nfs/dbraw/zinc/90/59/72/398905972.db2.gz OHGGETGGWFDKOT-OCCSQVGLSA-N 1 0 316.304 2.853 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000595102472 398906102 /nfs/dbraw/zinc/90/61/02/398906102.db2.gz INHBCMIXCZFJET-FYAIKVRKSA-N 1 0 304.390 2.667 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000599014876 398907508 /nfs/dbraw/zinc/90/75/08/398907508.db2.gz IJYXGUKRZTYDJK-YEORSEQZSA-N 1 0 319.386 2.985 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000146254285 398909536 /nfs/dbraw/zinc/90/95/36/398909536.db2.gz PYRJFAPZVWVOIW-SECBINFHSA-N 1 0 324.768 2.606 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000054778207 398909115 /nfs/dbraw/zinc/90/91/15/398909115.db2.gz UVXXEAMCQPVVIA-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000281023246 216027999 /nfs/dbraw/zinc/02/79/99/216027999.db2.gz XTSONZDJGWXQFA-NOLJZWGESA-N 1 0 320.389 2.705 20 5 DFBDRO CC(=O)c1cc(N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000599042337 398911456 /nfs/dbraw/zinc/91/14/56/398911456.db2.gz COSVJRUKVGBTMV-NSHDSACASA-N 1 0 305.378 2.940 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc([N+](=O)[O-])c1 ZINC000595258526 398913535 /nfs/dbraw/zinc/91/35/35/398913535.db2.gz PMCLBAMOKBVGLD-CZUORRHYSA-N 1 0 319.405 2.883 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595257969 398913542 /nfs/dbraw/zinc/91/35/42/398913542.db2.gz FYQYIHIMRQWXQI-IAQYHMDHSA-N 1 0 323.368 2.714 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187935575 200179335 /nfs/dbraw/zinc/17/93/35/200179335.db2.gz WHJYGMZQDTYWOW-BLLLJJGKSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000187957353 200183168 /nfs/dbraw/zinc/18/31/68/200183168.db2.gz HPWDTYZYXIJPHG-GFCCVEGCSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1C ZINC000599056979 398914679 /nfs/dbraw/zinc/91/46/79/398914679.db2.gz AUBCIFYZSFMOJF-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237592192 202297106 /nfs/dbraw/zinc/29/71/06/202297106.db2.gz ZEOGPFUOGBSMBS-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000599078772 398918280 /nfs/dbraw/zinc/91/82/80/398918280.db2.gz KNDRYHHHPVWZAV-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CC[C@H]([NH2+]CCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089960 398919265 /nfs/dbraw/zinc/91/92/65/398919265.db2.gz QVOIUTBMZUBCFM-ZDUSSCGKSA-N 1 0 301.337 2.832 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595326276 398922930 /nfs/dbraw/zinc/92/29/30/398922930.db2.gz ZFVAAVIHIJKYFI-CYBMUJFWSA-N 1 0 322.336 2.509 20 5 DFBDRO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000595326304 398922455 /nfs/dbraw/zinc/92/24/55/398922455.db2.gz BBAODBINDCRIBR-DFBGVHRSSA-N 1 0 323.393 2.917 20 5 DFBDRO Cc1noc(CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1[N+](=O)[O-] ZINC000595363615 398927659 /nfs/dbraw/zinc/92/76/59/398927659.db2.gz FEJJHONGJTZHEO-BZPMIXESSA-N 1 0 322.409 2.728 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595380273 398929366 /nfs/dbraw/zinc/92/93/66/398929366.db2.gz NKTGTALINHSBCH-UHFFFAOYSA-N 1 0 312.341 2.945 20 5 DFBDRO Cc1noc(CN(C)[C@H](C)[C@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381118 398930085 /nfs/dbraw/zinc/93/00/85/398930085.db2.gz JKOFHHIOVFEHHP-BXUZGUMPSA-N 1 0 317.345 2.715 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000595387911 398930685 /nfs/dbraw/zinc/93/06/85/398930685.db2.gz FAUNKQYXFIRCMZ-JSGCOSHPSA-N 1 0 308.353 2.982 20 5 DFBDRO O=[N+]([O-])c1c(NC[C@H]2CC[N@@H+]2C2CCCC2)nc2sccn21 ZINC000599163144 398931584 /nfs/dbraw/zinc/93/15/84/398931584.db2.gz CAFFGCMEEFHNQF-LLVKDONJSA-N 1 0 321.406 2.733 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281166700 216125387 /nfs/dbraw/zinc/12/53/87/216125387.db2.gz POHSMGVDGYFIRZ-RHSMWYFYSA-N 1 0 319.405 2.894 20 5 DFBDRO CN(C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355354 296013415 /nfs/dbraw/zinc/01/34/15/296013415.db2.gz NKQILRRLIQKZKA-HOCLYGCPSA-N 1 0 317.433 2.990 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC12CC2 ZINC000417367143 296014126 /nfs/dbraw/zinc/01/41/26/296014126.db2.gz POZFHYYXEYIOOE-VXGBXAGGSA-N 1 0 303.362 2.702 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153946375 398938799 /nfs/dbraw/zinc/93/87/99/398938799.db2.gz QMIUFYPOYISYNI-DFBGVHRSSA-N 1 0 306.362 2.507 20 5 DFBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000595465753 398944669 /nfs/dbraw/zinc/94/46/69/398944669.db2.gz FUQFIGVMTKUOSP-BFHYXJOUSA-N 1 0 323.393 2.797 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000595469113 398944994 /nfs/dbraw/zinc/94/49/94/398944994.db2.gz MQCWLFHYLMFZMV-UHFFFAOYSA-N 1 0 310.325 2.699 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCC2 ZINC000595482322 398947800 /nfs/dbraw/zinc/94/78/00/398947800.db2.gz NENZCVUADJCMHW-STQMWFEESA-N 1 0 309.366 2.719 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485330 398948485 /nfs/dbraw/zinc/94/84/85/398948485.db2.gz WCSKBVCKUMUOOJ-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485329 398948633 /nfs/dbraw/zinc/94/86/33/398948633.db2.gz WCSKBVCKUMUOOJ-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCC2 ZINC000595482321 398947673 /nfs/dbraw/zinc/94/76/73/398947673.db2.gz NENZCVUADJCMHW-QWHCGFSZSA-N 1 0 309.366 2.719 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595499069 398950345 /nfs/dbraw/zinc/95/03/45/398950345.db2.gz UQFHMPFTTUJIGZ-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000272018046 209387981 /nfs/dbraw/zinc/38/79/81/209387981.db2.gz LZHUGYFVPMSTIR-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000595506697 398953451 /nfs/dbraw/zinc/95/34/51/398953451.db2.gz GJOHCAJGWJOQDZ-GFCCVEGCSA-N 1 0 307.369 2.650 20 5 DFBDRO COc1cncc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000599340026 398956132 /nfs/dbraw/zinc/95/61/32/398956132.db2.gz ZXJPTQSSNDXCIA-UHFFFAOYSA-N 1 0 314.345 2.558 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000595510384 398954109 /nfs/dbraw/zinc/95/41/09/398954109.db2.gz AGYOKVFSGOSNFG-NWANDNLSSA-N 1 0 306.337 2.781 20 5 DFBDRO CC(C)([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000595512835 398954995 /nfs/dbraw/zinc/95/49/95/398954995.db2.gz WBXWEPPWIDBVQS-GFCCVEGCSA-N 1 0 300.305 2.844 20 5 DFBDRO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196065 398956593 /nfs/dbraw/zinc/95/65/93/398956593.db2.gz BXYSOBHSHFLRHL-QWHCGFSZSA-N 1 0 307.394 2.796 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000604561724 398958856 /nfs/dbraw/zinc/95/88/56/398958856.db2.gz UNVIQJRCBVJDEV-LLVKDONJSA-N 1 0 311.407 2.567 20 5 DFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000078529626 398963912 /nfs/dbraw/zinc/96/39/12/398963912.db2.gz LTUCECYJGOTXDH-FMKPAKJESA-N 1 0 322.405 2.845 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078559631 398965713 /nfs/dbraw/zinc/96/57/13/398965713.db2.gz QQRWTLRRHMFQIE-LLVKDONJSA-N 1 0 312.801 2.811 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078559629 398966013 /nfs/dbraw/zinc/96/60/13/398966013.db2.gz QQRWTLRRHMFQIE-NSHDSACASA-N 1 0 312.801 2.811 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193229849 201009420 /nfs/dbraw/zinc/00/94/20/201009420.db2.gz LRHHKGZTENUUCR-DOMZBBRYSA-N 1 0 317.389 2.652 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@]2(CO)CCCc3ccccc32)c1 ZINC000281460653 216315072 /nfs/dbraw/zinc/31/50/72/216315072.db2.gz AXCMZIIEEXYIDU-GOSISDBHSA-N 1 0 312.369 2.909 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000078605747 398973395 /nfs/dbraw/zinc/97/33/95/398973395.db2.gz MBKCDPPHXJZJRH-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(NC(=O)NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000193613647 201086917 /nfs/dbraw/zinc/08/69/17/201086917.db2.gz BKFWUUXEQOXBIO-UHFFFAOYSA-N 1 0 306.366 2.511 20 5 DFBDRO Nc1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000287455078 283664259 /nfs/dbraw/zinc/66/42/59/283664259.db2.gz VWMSVFWGWUYARU-AWEZNQCLSA-N 1 0 304.394 2.632 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(F)(F)C1 ZINC000600155070 398976209 /nfs/dbraw/zinc/97/62/09/398976209.db2.gz BMWLHJDEORCVSR-MRVPVSSYSA-N 1 0 310.304 2.995 20 5 DFBDRO O=C1[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595569555 398977743 /nfs/dbraw/zinc/97/77/43/398977743.db2.gz ZLLFDVATHNVYAI-VBNZEHGJSA-N 1 0 315.373 2.575 20 5 DFBDRO Cc1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078669686 398979162 /nfs/dbraw/zinc/97/91/62/398979162.db2.gz PKYFEOHTRRDHKG-CQSZACIVSA-N 1 0 304.394 2.610 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194724075 201279024 /nfs/dbraw/zinc/27/90/24/201279024.db2.gz GOXUUHSHJGSBCB-VXGBXAGGSA-N 1 0 314.345 2.668 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC(O)CC1)C1CC1 ZINC000090800068 192933919 /nfs/dbraw/zinc/93/39/19/192933919.db2.gz NBWGSFIXPKIPGH-GPANFISMSA-N 1 0 304.390 2.809 20 5 DFBDRO COCCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000599506489 398997497 /nfs/dbraw/zinc/99/74/97/398997497.db2.gz CYSBKTGMFLNGIZ-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000474360625 299335309 /nfs/dbraw/zinc/33/53/09/299335309.db2.gz YKARTPZPLATCQO-GFCCVEGCSA-N 1 0 324.377 2.528 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000417844026 296057102 /nfs/dbraw/zinc/05/71/02/296057102.db2.gz HIDDEJZVLHVXED-XGNXJENSSA-N 1 0 320.393 2.533 20 5 DFBDRO CC[C@H](NC(=O)N1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860940 296058651 /nfs/dbraw/zinc/05/86/51/296058651.db2.gz ZLSIVUDHJBIJOD-GJZGRUSLSA-N 1 0 320.393 2.569 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248552303 202744596 /nfs/dbraw/zinc/74/45/96/202744596.db2.gz JBYLHGRQZSHWNC-WWGRRREGSA-N 1 0 319.405 2.972 20 5 DFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000600229566 399013865 /nfs/dbraw/zinc/01/38/65/399013865.db2.gz VXDPKBGEPQWPAO-LBPRGKRZSA-N 1 0 323.418 2.793 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417973875 296068051 /nfs/dbraw/zinc/06/80/51/296068051.db2.gz CWOCZGBLTFTUOP-GXTWGEPZSA-N 1 0 322.409 2.671 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595639855 399014380 /nfs/dbraw/zinc/01/43/80/399014380.db2.gz XWMPOZJGBKLNFX-NSHDSACASA-N 1 0 323.393 2.956 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CCCC2)CC1 ZINC000595641454 399016090 /nfs/dbraw/zinc/01/60/90/399016090.db2.gz MPOCWZMOIYZCQR-UHFFFAOYSA-N 1 0 319.405 2.803 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254966693 283837640 /nfs/dbraw/zinc/83/76/40/283837640.db2.gz VBXPEEMYKBOGNH-JKEYDSJLSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312330 399031067 /nfs/dbraw/zinc/03/10/67/399031067.db2.gz FGDOUHPHTYLOTH-KBPBESRZSA-N 1 0 319.405 2.546 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313695 399031475 /nfs/dbraw/zinc/03/14/75/399031475.db2.gz JHXVZMSWOFGVSA-CYBMUJFWSA-N 1 0 319.405 2.619 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255031836 283844375 /nfs/dbraw/zinc/84/43/75/283844375.db2.gz DLDWCWXTNDDETN-BSDKJSHOSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632542 399035632 /nfs/dbraw/zinc/03/56/32/399035632.db2.gz YLLXJCZVUPTWML-PSAMWYLNSA-N 1 0 308.403 2.641 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673035 193089049 /nfs/dbraw/zinc/08/90/49/193089049.db2.gz ZWRAAFGVBNHGDW-NEPJUHHUSA-N 1 0 311.769 2.523 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632539 399035915 /nfs/dbraw/zinc/03/59/15/399035915.db2.gz YLLXJCZVUPTWML-WBSWQSFASA-N 1 0 308.403 2.641 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255337770 283870953 /nfs/dbraw/zinc/87/09/53/283870953.db2.gz BIXRDIIWEVATEQ-VUFKQPGHSA-N 1 0 317.389 2.597 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@@H]21 ZINC000599648542 399042892 /nfs/dbraw/zinc/04/28/92/399042892.db2.gz AAPIJKLJZDPKTQ-OAGGEKHMSA-N 1 0 318.373 2.758 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCc2c(O)cccc2C1 ZINC000599646449 399041443 /nfs/dbraw/zinc/04/14/43/399041443.db2.gz KGPHPUMHBWONQC-UHFFFAOYSA-N 1 0 302.305 2.998 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000599655386 399048482 /nfs/dbraw/zinc/04/84/82/399048482.db2.gz VZTFGOKGGHZOTO-IIAWOOMASA-N 1 0 318.373 2.758 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673698 399055033 /nfs/dbraw/zinc/05/50/33/399055033.db2.gz WFBWYLKYDFJNKA-CQSZACIVSA-N 1 0 320.389 2.601 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359452054 283915696 /nfs/dbraw/zinc/91/56/96/283915696.db2.gz GFYDVJJLLDQGAS-HNNXBMFYSA-N 1 0 321.421 2.762 20 5 DFBDRO COC(=O)C1C[C@H](C)[NH+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687482 399063775 /nfs/dbraw/zinc/06/37/75/399063775.db2.gz CDOLAQWJLPFJMN-STQMWFEESA-N 1 0 320.389 2.799 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595754392 399070081 /nfs/dbraw/zinc/07/00/81/399070081.db2.gz ATSARXFRYBDGHE-CYBMUJFWSA-N 1 0 323.368 2.995 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000595748818 399069123 /nfs/dbraw/zinc/06/91/23/399069123.db2.gz HVKURDCSMGEZHE-STQMWFEESA-N 1 0 322.405 2.831 20 5 DFBDRO Cc1nn(C)c(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000058066325 399075026 /nfs/dbraw/zinc/07/50/26/399075026.db2.gz QOFBDUGSURDRLC-ABAIWWIYSA-N 1 0 309.414 2.559 20 5 DFBDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092104160 193159032 /nfs/dbraw/zinc/15/90/32/193159032.db2.gz KGMNLCAKCBRUCB-UHFFFAOYSA-N 1 0 321.421 2.922 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287002493 283989600 /nfs/dbraw/zinc/98/96/00/283989600.db2.gz PUMBKGBUPPHDDW-SWLSCSKDSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@H](CCCC[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418677310 296108820 /nfs/dbraw/zinc/10/88/20/296108820.db2.gz UEOQIZRPVXLGFQ-GFCCVEGCSA-N 1 0 322.409 2.647 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000613776740 399080448 /nfs/dbraw/zinc/08/04/48/399080448.db2.gz VIKVDTCAKWPQJY-AWEZNQCLSA-N 1 0 320.393 2.898 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC23CCOCC3)ccc1[N+](=O)[O-] ZINC000618318331 399081552 /nfs/dbraw/zinc/08/15/52/399081552.db2.gz RNZCDMYSTHEYAB-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)C1CC1 ZINC000305769669 284051900 /nfs/dbraw/zinc/05/19/00/284051900.db2.gz NBWGSFIXPKIPGH-JYJNAYRXSA-N 1 0 304.390 2.809 20 5 DFBDRO O=C1CCCC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000595805161 399090516 /nfs/dbraw/zinc/09/05/16/399090516.db2.gz GEGYYVLOSFAWLS-UHFFFAOYSA-N 1 0 318.373 2.809 20 5 DFBDRO C[N@H+](CCCNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000058733236 399093093 /nfs/dbraw/zinc/09/30/93/399093093.db2.gz BSVAMAWZFLTQIA-UHFFFAOYSA-N 1 0 300.362 2.924 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058841518 399096952 /nfs/dbraw/zinc/09/69/52/399096952.db2.gz RZYFSCHYYKUFME-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000058841399 399097498 /nfs/dbraw/zinc/09/74/98/399097498.db2.gz GXXQMEONDWBLEU-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCSC1 ZINC000448022928 297329618 /nfs/dbraw/zinc/32/96/18/297329618.db2.gz QQDSCMHSSMAVNO-NEPJUHHUSA-N 1 0 323.418 2.655 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000419325163 296134822 /nfs/dbraw/zinc/13/48/22/296134822.db2.gz WRGIRCAIKUDQPK-IMJJTQAJSA-N 1 0 322.405 2.749 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000419339346 296135961 /nfs/dbraw/zinc/13/59/61/296135961.db2.gz UQCWQSNJKRXCCO-GJZGRUSLSA-N 1 0 321.421 2.903 20 5 DFBDRO C[C@H]1[C@@H](C)[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000419370471 296137068 /nfs/dbraw/zinc/13/70/68/296137068.db2.gz JPLFIUTYXQQIOR-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419376462 296137664 /nfs/dbraw/zinc/13/76/64/296137664.db2.gz TUKRYZJTNHUHIN-XQQFMLRXSA-N 1 0 305.378 2.818 20 5 DFBDRO 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 296137743 /nfs/dbraw/zinc/13/77/43/296137743.db2.gz RNFLXUDVJXLQJT-OQMKEHIESA-N 1 0 317.389 2.676 20 5 DFBDRO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849201 399111928 /nfs/dbraw/zinc/11/19/28/399111928.db2.gz DWSRUBUPEYSROP-UONOGXRCSA-N 1 0 319.405 2.892 20 5 DFBDRO COCCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000419390424 296139180 /nfs/dbraw/zinc/13/91/80/296139180.db2.gz QDBBMYHTOOHYCW-UHFFFAOYSA-N 1 0 323.393 2.590 20 5 DFBDRO Cc1c(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000595852277 399113589 /nfs/dbraw/zinc/11/35/89/399113589.db2.gz ZJXVBCYHHOCTTB-OAHLLOKOSA-N 1 0 319.405 2.640 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600682773 399116231 /nfs/dbraw/zinc/11/62/31/399116231.db2.gz PZLLNZCOIPJUDY-XHDPSFHLSA-N 1 0 301.346 2.695 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000600683693 399116844 /nfs/dbraw/zinc/11/68/44/399116844.db2.gz QWGCKQLUFUBOHQ-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1=CCSC1 ZINC000595887967 399124480 /nfs/dbraw/zinc/12/44/80/399124480.db2.gz JQMGYIVRLWHHCN-UHFFFAOYSA-N 1 0 305.359 2.841 20 5 DFBDRO CC[N@H+](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C1CC1 ZINC000094105965 193345324 /nfs/dbraw/zinc/34/53/24/193345324.db2.gz ZSZXHTUGWXBHEW-UHFFFAOYSA-N 1 0 319.405 2.734 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094371913 193366687 /nfs/dbraw/zinc/36/66/87/193366687.db2.gz PMJSYWQKZJSRJI-DZGCQCFKSA-N 1 0 308.403 2.739 20 5 DFBDRO [NH3+][C@H]1CCc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000595904414 399129462 /nfs/dbraw/zinc/12/94/62/399129462.db2.gz YHFVGFKABZFSOL-ZDUSSCGKSA-N 1 0 303.387 2.936 20 5 DFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH2+]C1CCCCC1 ZINC000419914318 296151482 /nfs/dbraw/zinc/15/14/82/296151482.db2.gz AXSKOWGIEABIFO-UHFFFAOYSA-N 1 0 319.405 2.566 20 5 DFBDRO [NH3+]C1(CNc2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CCCCC1 ZINC000420127534 296159309 /nfs/dbraw/zinc/15/93/09/296159309.db2.gz RXBLXMLOWXNENR-UHFFFAOYSA-N 1 0 318.377 2.553 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000420154156 296159676 /nfs/dbraw/zinc/15/96/76/296159676.db2.gz CABMGMGPUQOWHK-VHSXEESVSA-N 1 0 315.320 2.996 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000340945442 284222419 /nfs/dbraw/zinc/22/24/19/284222419.db2.gz GBNCFFBBMSFDLI-DGCLKSJQSA-N 1 0 304.350 2.546 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420165967 296160084 /nfs/dbraw/zinc/16/00/84/296160084.db2.gz HUXJGIGDNTVVIU-JTQLQIEISA-N 1 0 301.293 2.514 20 5 DFBDRO C[C@@]1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114774 399140523 /nfs/dbraw/zinc/14/05/23/399140523.db2.gz AXTIEQODGWYLTK-DOMZBBRYSA-N 1 0 322.434 2.762 20 5 DFBDRO [NH3+]CC1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000420184409 296160953 /nfs/dbraw/zinc/16/09/53/296160953.db2.gz NMJDDTPOWVXKOI-UHFFFAOYSA-N 1 0 312.373 2.832 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420185556 296161073 /nfs/dbraw/zinc/16/10/73/296161073.db2.gz KZIUJPIZXACANH-WCQYABFASA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[NH2+]1 ZINC000420186255 296161311 /nfs/dbraw/zinc/16/13/11/296161311.db2.gz LXSYIGYXOSJZRN-JTQLQIEISA-N 1 0 304.375 2.516 20 5 DFBDRO CC(C)C[C@H](C[NH3+])Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000420188372 296161330 /nfs/dbraw/zinc/16/13/30/296161330.db2.gz OKOGLXWETSSNHW-CYBMUJFWSA-N 1 0 322.409 2.518 20 5 DFBDRO C[C@H]([NH2+]C(C)(C)CNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000264315761 203842731 /nfs/dbraw/zinc/84/27/31/203842731.db2.gz OWFAWIAMCJZSNZ-LBPRGKRZSA-N 1 0 317.393 2.870 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420213817 296162700 /nfs/dbraw/zinc/16/27/00/296162700.db2.gz IDPRKQZORBUBKH-OLZOCXBDSA-N 1 0 312.373 2.830 20 5 DFBDRO CCc1nn(C)c(NCc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000420214619 296162898 /nfs/dbraw/zinc/16/28/98/296162898.db2.gz RGKXTZCIQDJBFE-SNVBAGLBSA-N 1 0 303.366 2.523 20 5 DFBDRO Cc1cc(NC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420229823 296163848 /nfs/dbraw/zinc/16/38/48/296163848.db2.gz OKPAQSJZCQMZIC-SECBINFHSA-N 1 0 303.284 2.943 20 5 DFBDRO C[C@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420234234 296164527 /nfs/dbraw/zinc/16/45/27/296164527.db2.gz BDUPLNATTHEHOF-QGZVFWFLSA-N 1 0 312.373 2.832 20 5 DFBDRO CC(=O)c1cc(NC[C@@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000420235618 296164747 /nfs/dbraw/zinc/16/47/47/296164747.db2.gz DDIZOPKVSFLGJQ-HNNXBMFYSA-N 1 0 305.378 2.988 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420238664 296164932 /nfs/dbraw/zinc/16/49/32/296164932.db2.gz OFQAYSVGKQZGLF-PHIMTYICSA-N 1 0 315.295 2.944 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420246597 296165455 /nfs/dbraw/zinc/16/54/55/296165455.db2.gz NPLJCUHBDCWNTI-PSASIEDQSA-N 1 0 301.293 2.749 20 5 DFBDRO COc1cc(N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000420252202 296165892 /nfs/dbraw/zinc/16/58/92/296165892.db2.gz NGAOCEPNMDQSTP-UHFFFAOYSA-N 1 0 307.394 2.949 20 5 DFBDRO Cc1ccc(-c2ccc(C[C@H](C[NH3+])CO)cc2)cc1[N+](=O)[O-] ZINC000600790467 399147962 /nfs/dbraw/zinc/14/79/62/399147962.db2.gz KVKTULMIBQFJIG-CQSZACIVSA-N 1 0 300.358 2.680 20 5 DFBDRO Cc1cc2c(c(-c3cc([N+](=O)[O-])ccc3CCO)c1)CC[NH2+]C2 ZINC000600790596 399147989 /nfs/dbraw/zinc/14/79/89/399147989.db2.gz BKBNASMUDAEPIP-UHFFFAOYSA-N 1 0 312.369 2.751 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000420256288 296166308 /nfs/dbraw/zinc/16/63/08/296166308.db2.gz IZIKROWQDWHYOO-MGCOHNPYSA-N 1 0 321.406 2.777 20 5 DFBDRO COc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1F ZINC000420255583 296166349 /nfs/dbraw/zinc/16/63/49/296166349.db2.gz HUDRYFADRLFWNB-GFCCVEGCSA-N 1 0 323.368 2.568 20 5 DFBDRO COc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000420262273 296166728 /nfs/dbraw/zinc/16/67/28/296166728.db2.gz ALNZJQJPZTXAKX-VXGBXAGGSA-N 1 0 323.368 2.568 20 5 DFBDRO CCc1nn(C)c(NC[C@@H]([NH3+])c2ccccc2CC)c1[N+](=O)[O-] ZINC000420263886 296166930 /nfs/dbraw/zinc/16/69/30/296166930.db2.gz ALZHMBLJCQVXKH-CYBMUJFWSA-N 1 0 317.393 2.565 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654644 204057380 /nfs/dbraw/zinc/05/73/80/204057380.db2.gz QFHMADIIIGOCEK-VXGBXAGGSA-N 1 0 323.780 2.605 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000341246425 284259064 /nfs/dbraw/zinc/25/90/64/284259064.db2.gz JBDJDDGRHJQWKQ-OBJOEFQTSA-N 1 0 306.362 2.581 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c2ncccc12 ZINC000264798528 204164992 /nfs/dbraw/zinc/16/49/92/204164992.db2.gz MLFMOLYHLHWIIK-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO COC(=O)c1cc(NC[C@H]2CCC[C@H]([NH3+])C2)cc(C)c1[N+](=O)[O-] ZINC000420277098 296168483 /nfs/dbraw/zinc/16/84/83/296168483.db2.gz IEBGWLMMUMVTKD-RYUDHWBXSA-N 1 0 321.377 2.619 20 5 DFBDRO CCOc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420283078 296169115 /nfs/dbraw/zinc/16/91/15/296169115.db2.gz XEWSMKHDTGIHOU-KGLIPLIRSA-N 1 0 319.405 2.819 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000420284705 296169318 /nfs/dbraw/zinc/16/93/18/296169318.db2.gz UXFDZBUKGUQKLO-CQSZACIVSA-N 1 0 317.393 2.794 20 5 DFBDRO O=[N+]([O-])c1cccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596058932 399157677 /nfs/dbraw/zinc/15/76/77/399157677.db2.gz LWBPIFYZUMADEV-INIZCTEOSA-N 1 0 303.406 2.806 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000420291201 296170226 /nfs/dbraw/zinc/17/02/26/296170226.db2.gz XBUAPJISGSLZRU-UWVGGRQHSA-N 1 0 315.320 2.617 20 5 DFBDRO COc1ccc(OCc2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000596069953 399162264 /nfs/dbraw/zinc/16/22/64/399162264.db2.gz KVVDFVCDLCNZFJ-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@H]1CCOC1)CCC2 ZINC000618568503 399162382 /nfs/dbraw/zinc/16/23/82/399162382.db2.gz XRTKTMSFAOQYHD-SUMWQHHRSA-N 1 0 320.389 2.615 20 5 DFBDRO CCc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618569159 399162706 /nfs/dbraw/zinc/16/27/06/399162706.db2.gz MKYCHHRIMGRAJQ-ZIAGYGMSSA-N 1 0 319.365 2.615 20 5 DFBDRO COCCSCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282504946 217046484 /nfs/dbraw/zinc/04/64/84/217046484.db2.gz RFGBUEHLSBHLRG-UHFFFAOYSA-N 1 0 312.435 2.839 20 5 DFBDRO CCn1nccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596097476 399172090 /nfs/dbraw/zinc/17/20/90/399172090.db2.gz XMCZOVMJGLNVSU-INIZCTEOSA-N 1 0 314.389 2.922 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596098767 399173230 /nfs/dbraw/zinc/17/32/30/399173230.db2.gz MRHKWXNHPIWCSY-LBPRGKRZSA-N 1 0 308.382 2.762 20 5 DFBDRO CCC[NH+]1CCC(CNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596098110 399173326 /nfs/dbraw/zinc/17/33/26/399173326.db2.gz NIXDCIVKBRGJTA-UHFFFAOYSA-N 1 0 312.801 2.599 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747749 399174842 /nfs/dbraw/zinc/17/48/42/399174842.db2.gz AVMFLNOLOOQNBI-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCCC[C@H]1CCO ZINC000342061130 284318469 /nfs/dbraw/zinc/31/84/69/284318469.db2.gz HVVBPKUNCVWYAN-AWEZNQCLSA-N 1 0 308.378 2.601 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342087691 284323150 /nfs/dbraw/zinc/32/31/50/284323150.db2.gz POMDAZXRCLFDQQ-APHBMKBZSA-N 1 0 319.405 2.553 20 5 DFBDRO CC(C)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000600943622 399183305 /nfs/dbraw/zinc/18/33/05/399183305.db2.gz FYEDHXBPJITPKX-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000600947775 399184144 /nfs/dbraw/zinc/18/41/44/399184144.db2.gz NJESIUDHECFBNK-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000266062577 205068667 /nfs/dbraw/zinc/06/86/67/205068667.db2.gz AWLWDYZTMPCPEE-GFCCVEGCSA-N 1 0 323.368 2.680 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596139893 399188243 /nfs/dbraw/zinc/18/82/43/399188243.db2.gz XAWCOQMHTNKVEQ-NSHDSACASA-N 1 0 312.801 2.954 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288326359 220086676 /nfs/dbraw/zinc/08/66/76/220086676.db2.gz JEZOQIWJUYWMHV-ZJUUUORDSA-N 1 0 321.406 2.884 20 5 DFBDRO C[C@@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600967153 399190585 /nfs/dbraw/zinc/19/05/85/399190585.db2.gz YTGDVBGHINBQFT-RKDXNWHRSA-N 1 0 312.757 2.510 20 5 DFBDRO O=c1[nH]ccc(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000596149692 399191252 /nfs/dbraw/zinc/19/12/52/399191252.db2.gz ZHERILZDNPQVAQ-UHFFFAOYSA-N 1 0 320.393 2.904 20 5 DFBDRO Cc1ccnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266254761 205219086 /nfs/dbraw/zinc/21/90/86/205219086.db2.gz NVGVNFPRNPRJTL-AWEZNQCLSA-N 1 0 304.394 2.610 20 5 DFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000600997273 399198689 /nfs/dbraw/zinc/19/86/89/399198689.db2.gz UXIFYAKTHNPIBO-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000600997270 399198889 /nfs/dbraw/zinc/19/88/89/399198889.db2.gz UXIFYAKTHNPIBO-NEPJUHHUSA-N 1 0 323.368 2.727 20 5 DFBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC000282832837 217281338 /nfs/dbraw/zinc/28/13/38/217281338.db2.gz OGNSZJBGSWSNHT-LBPRGKRZSA-N 1 0 323.393 2.940 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420630788 296194029 /nfs/dbraw/zinc/19/40/29/296194029.db2.gz FRNRFBDPWGEJTB-VIFPVBQESA-N 1 0 318.299 2.539 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420640195 296195115 /nfs/dbraw/zinc/19/51/15/296195115.db2.gz SNVRYVITOBHZOH-CQSZACIVSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000063724326 399205001 /nfs/dbraw/zinc/20/50/01/399205001.db2.gz NPHLVPNAVPDGRL-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000266456611 205360564 /nfs/dbraw/zinc/36/05/64/205360564.db2.gz FKNREVNMHVBWAT-MCIONIFRSA-N 1 0 319.405 2.515 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000288494103 220179144 /nfs/dbraw/zinc/17/91/44/220179144.db2.gz RRPHVWHXPDDJDB-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]CCCCO)o2)c([N+](=O)[O-])c1 ZINC000487152854 299446492 /nfs/dbraw/zinc/44/64/92/299446492.db2.gz GCIBRUIEHBLXAE-UHFFFAOYSA-N 1 0 320.345 2.726 20 5 DFBDRO Cc1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267012319 205744584 /nfs/dbraw/zinc/74/45/84/205744584.db2.gz IEFCRDLCEVOOQO-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000601100108 399227046 /nfs/dbraw/zinc/22/70/46/399227046.db2.gz LIYXGOKKQFCCNU-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000601108569 399229897 /nfs/dbraw/zinc/22/98/97/399229897.db2.gz JRNHNYJXNZYFLW-UHFFFAOYSA-N 1 0 322.384 2.831 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000601135797 399237874 /nfs/dbraw/zinc/23/78/74/399237874.db2.gz INJHPBAYMRMNTR-ZSBIGDGJSA-N 1 0 301.346 2.933 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456464 206080917 /nfs/dbraw/zinc/08/09/17/206080917.db2.gz PMJJENGUOUJHBW-LRDDRELGSA-N 1 0 309.385 2.896 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCCC13CC3)OCCO2 ZINC000601137749 399238604 /nfs/dbraw/zinc/23/86/04/399238604.db2.gz HIGMONXSKRCOOG-HNNXBMFYSA-N 1 0 304.346 2.788 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C(F)F ZINC000601147452 399240824 /nfs/dbraw/zinc/24/08/24/399240824.db2.gz NXKKTSBKTNMRBA-SZNGSJQDSA-N 1 0 300.305 2.604 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000601216497 399256675 /nfs/dbraw/zinc/25/66/75/399256675.db2.gz MHBOWRDJZAXENN-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000601267650 399267291 /nfs/dbraw/zinc/26/72/91/399267291.db2.gz PUAOXHKETMFLMA-BPUTZDHNSA-N 1 0 318.373 2.651 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCc2nccn2C1 ZINC000614772372 399266755 /nfs/dbraw/zinc/26/67/55/399266755.db2.gz XHVAGOVXPQQKPZ-LBPRGKRZSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267846585 206301208 /nfs/dbraw/zinc/30/12/08/206301208.db2.gz MPRDJVOHJKHDRT-OLZOCXBDSA-N 1 0 322.409 2.604 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000268016985 206399544 /nfs/dbraw/zinc/39/95/44/206399544.db2.gz GWDUGRRDEGQUHC-UHFFFAOYSA-N 1 0 307.394 2.816 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000601306690 399274274 /nfs/dbraw/zinc/27/42/74/399274274.db2.gz OLXLFUYDFAOCQE-LMLFDSFASA-N 1 0 318.299 2.815 20 5 DFBDRO CC(C)(CNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000041297862 183184033 /nfs/dbraw/zinc/18/40/33/183184033.db2.gz ILSPOMHJOFKIHR-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1cccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1[N+](=O)[O-] ZINC000608901088 399300329 /nfs/dbraw/zinc/30/03/29/399300329.db2.gz UIDIIFWXBRCWOI-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278987 399311655 /nfs/dbraw/zinc/31/16/55/399311655.db2.gz WKHPSPCXRGRZRL-HZPDHXFCSA-N 1 0 307.369 2.793 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000609449109 399318790 /nfs/dbraw/zinc/31/87/90/399318790.db2.gz ZSGDPGZXMUWSEY-AWEZNQCLSA-N 1 0 321.425 2.785 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000284040470 217858370 /nfs/dbraw/zinc/85/83/70/217858370.db2.gz JTNSJPONQCGSGC-ZJUUUORDSA-N 1 0 303.366 2.631 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609833650 399332979 /nfs/dbraw/zinc/33/29/79/399332979.db2.gz RCUJAFPEVXSBQO-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000609797059 399331910 /nfs/dbraw/zinc/33/19/10/399331910.db2.gz VNWVJXRJMCRHAF-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000344881439 284703282 /nfs/dbraw/zinc/70/32/82/284703282.db2.gz XIHOZGRAHQGJKA-XFXZXTDPSA-N 1 0 317.389 2.632 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCC2(O)CCC2)n1 ZINC000421856604 296277966 /nfs/dbraw/zinc/27/79/66/296277966.db2.gz NQBUFCNZWTXMON-UONOGXRCSA-N 1 0 322.409 2.560 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601791061 399337122 /nfs/dbraw/zinc/33/71/22/399337122.db2.gz FSZWGUACANZQSP-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000601790803 399337128 /nfs/dbraw/zinc/33/71/28/399337128.db2.gz BZVLRPIRJATIAR-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CON1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421877918 296278378 /nfs/dbraw/zinc/27/83/78/296278378.db2.gz MQRPSLNZWWSJPM-MRXNPFEDSA-N 1 0 305.378 2.588 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000421902053 296279969 /nfs/dbraw/zinc/27/99/69/296279969.db2.gz SVXJKFOGDPTGQU-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421903377 296279999 /nfs/dbraw/zinc/27/99/99/296279999.db2.gz WUSHWRWAKNJCCO-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000619432186 399345132 /nfs/dbraw/zinc/34/51/32/399345132.db2.gz CTSGGEOINKCYDU-QLBUUCPGSA-N 1 0 302.374 2.966 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000619432184 399345216 /nfs/dbraw/zinc/34/52/16/399345216.db2.gz CTSGGEOINKCYDU-LPYTZGJOSA-N 1 0 302.374 2.966 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000273957532 211212222 /nfs/dbraw/zinc/21/22/22/211212222.db2.gz GBFVJVJZWIPHOK-QWHCGFSZSA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284695801 218137202 /nfs/dbraw/zinc/13/72/02/218137202.db2.gz IFDGOBLYLTWMBP-DZGCQCFKSA-N 1 0 306.362 2.617 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000105433546 194104510 /nfs/dbraw/zinc/10/45/10/194104510.db2.gz HEDCBJBKPXMEIZ-UHFFFAOYSA-N 1 0 315.395 2.661 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)c1 ZINC000284869887 218214918 /nfs/dbraw/zinc/21/49/18/218214918.db2.gz SLRLUSZLPMXLNA-JKSUJKDBSA-N 1 0 306.362 2.617 20 5 DFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284884004 218221139 /nfs/dbraw/zinc/22/11/39/218221139.db2.gz TVKCOQKYTNQGJF-WCQYABFASA-N 1 0 323.349 2.628 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883596 194156687 /nfs/dbraw/zinc/15/66/87/194156687.db2.gz IEZNIBKTKMOKHA-KBPBESRZSA-N 1 0 315.377 2.660 20 5 DFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1F ZINC000610485008 399372535 /nfs/dbraw/zinc/37/25/35/399372535.db2.gz KPNPDCPTNYSYSX-UHFFFAOYSA-N 1 0 306.341 2.843 20 5 DFBDRO CC(C)OCC[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000610479319 399371511 /nfs/dbraw/zinc/37/15/11/399371511.db2.gz RXZVKPBGYJTDJT-UHFFFAOYSA-N 1 0 313.423 2.958 20 5 DFBDRO CCOc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610515397 399376173 /nfs/dbraw/zinc/37/61/73/399376173.db2.gz GEAOXAZPJHNAQP-ZDUSSCGKSA-N 1 0 307.394 2.960 20 5 DFBDRO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1CC ZINC000106117077 194188363 /nfs/dbraw/zinc/18/83/63/194188363.db2.gz BLMWDIRDXQRONR-MRXNPFEDSA-N 1 0 321.421 2.528 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@@H]1CCOC1 ZINC000615724141 399377589 /nfs/dbraw/zinc/37/75/89/399377589.db2.gz NDGLQHHPYGIYKK-SCZPIIQISA-N 1 0 320.389 2.641 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106501875 194219692 /nfs/dbraw/zinc/21/96/92/194219692.db2.gz QJPQAWWCOOVWGW-CYBMUJFWSA-N 1 0 318.377 2.733 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285087241 218285287 /nfs/dbraw/zinc/28/52/87/218285287.db2.gz JWANAFCLMPGYJN-SNVBAGLBSA-N 1 0 319.336 2.659 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000610587025 399383967 /nfs/dbraw/zinc/38/39/67/399383967.db2.gz MZEPIAZIALKKQW-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1nc(N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268520202 206773451 /nfs/dbraw/zinc/77/34/51/206773451.db2.gz UXARCSVUVFIMIA-CQSZACIVSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000610636288 399387746 /nfs/dbraw/zinc/38/77/46/399387746.db2.gz JWMCQOQEHAWCIM-GXTWGEPZSA-N 1 0 305.378 2.565 20 5 DFBDRO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000359012122 284809997 /nfs/dbraw/zinc/80/99/97/284809997.db2.gz CUNQDRVLIQRVFJ-KFWWJZLASA-N 1 0 323.441 2.595 20 5 DFBDRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000602070712 399391386 /nfs/dbraw/zinc/39/13/86/399391386.db2.gz IDLJYVSOXGYIQD-CYBMUJFWSA-N 1 0 317.389 2.648 20 5 DFBDRO CC[N@H+]1C[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000610674844 399391325 /nfs/dbraw/zinc/39/13/25/399391325.db2.gz KCNVBWJGAOKYHM-AAEUAGOBSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000268860658 207028120 /nfs/dbraw/zinc/02/81/20/207028120.db2.gz DNXDVHIAOWXVIL-GFCCVEGCSA-N 1 0 305.378 2.600 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868393 399396553 /nfs/dbraw/zinc/39/65/53/399396553.db2.gz KOOYFKGZUJRXLR-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000110995463 194378492 /nfs/dbraw/zinc/37/84/92/194378492.db2.gz IHNQRSVNSPRBFX-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO C[C@H](C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602174850 399404975 /nfs/dbraw/zinc/40/49/75/399404975.db2.gz VWOZOQZXYROZIV-CQDKDKBSSA-N 1 0 319.405 2.543 20 5 DFBDRO CN1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804178 399407858 /nfs/dbraw/zinc/40/78/58/399407858.db2.gz MCBMINGJCRETFH-CVEARBPZSA-N 1 0 303.406 2.600 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000610798730 399407940 /nfs/dbraw/zinc/40/79/40/399407940.db2.gz WGTXWJMZXHQBMT-KFWWJZLASA-N 1 0 321.421 2.663 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000056196874 184006840 /nfs/dbraw/zinc/00/68/40/184006840.db2.gz XPSDYWRMWUUHRK-UONOGXRCSA-N 1 0 319.405 2.892 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1cccc([N+](=O)[O-])c1 ZINC000268946951 207111539 /nfs/dbraw/zinc/11/15/39/207111539.db2.gz UJHTVMPFXLEQNI-RDJZCZTQSA-N 1 0 321.421 2.746 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000610828289 399410859 /nfs/dbraw/zinc/41/08/59/399410859.db2.gz RAOXEOPDWRRLHC-ZENOOKHLSA-N 1 0 319.405 2.811 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000610815172 399409371 /nfs/dbraw/zinc/40/93/71/399409371.db2.gz ZHQHCFAEJJTZRM-UONOGXRCSA-N 1 0 308.378 2.607 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCCNc2ccsc2[N+](=O)[O-])C[C@H](C)O1 ZINC000610864661 399413789 /nfs/dbraw/zinc/41/37/89/399413789.db2.gz XAXTVYSLYYNPFV-TXEJJXNPSA-N 1 0 313.423 2.958 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCOC(C)(C)C ZINC000610859716 399412914 /nfs/dbraw/zinc/41/29/14/399412914.db2.gz JTNBCLLCOCIFTJ-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268956191 207122283 /nfs/dbraw/zinc/12/22/83/207122283.db2.gz UOAXJOBKVGJWOE-AWEZNQCLSA-N 1 0 300.362 2.538 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C ZINC000611084524 399433076 /nfs/dbraw/zinc/43/30/76/399433076.db2.gz CFRQNJAERQISLV-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1=CCCC1)OCCO2 ZINC000611080786 399433095 /nfs/dbraw/zinc/43/30/95/399433095.db2.gz DBYCYIPHOZDUDP-UHFFFAOYSA-N 1 0 304.346 2.956 20 5 DFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1C ZINC000611092464 399433462 /nfs/dbraw/zinc/43/34/62/399433462.db2.gz UZSJQROCUKCFNW-CQSZACIVSA-N 1 0 321.421 2.908 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000611182224 399442804 /nfs/dbraw/zinc/44/28/04/399442804.db2.gz RINCGKYCCLGPLB-ZDUSSCGKSA-N 1 0 312.373 2.797 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179695 399442884 /nfs/dbraw/zinc/44/28/84/399442884.db2.gz HTLIFLPCDAMHRN-SNVBAGLBSA-N 1 0 316.304 2.569 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCOC2)CC1 ZINC000611177309 399442019 /nfs/dbraw/zinc/44/20/19/399442019.db2.gz DSQJXPVUUORPCS-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C1CC1)C1CC1 ZINC000611266631 399453616 /nfs/dbraw/zinc/45/36/16/399453616.db2.gz OPLUEYKKVCYSPW-UHFFFAOYSA-N 1 0 318.373 2.986 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000611225391 399448117 /nfs/dbraw/zinc/44/81/17/399448117.db2.gz PHZHJUFPTOTZPH-RYUDHWBXSA-N 1 0 318.377 2.651 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000611248144 399450790 /nfs/dbraw/zinc/45/07/90/399450790.db2.gz FRHNEVRAVGOHPJ-YUTCNCBUSA-N 1 0 308.378 2.948 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249491 399450965 /nfs/dbraw/zinc/45/09/65/399450965.db2.gz NALJGFOZHZZGJW-VXGBXAGGSA-N 1 0 306.362 2.844 20 5 DFBDRO CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611260612 399453241 /nfs/dbraw/zinc/45/32/41/399453241.db2.gz VJYAPUHGCBVIFV-LBPRGKRZSA-N 1 0 306.362 2.988 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611298449 399459427 /nfs/dbraw/zinc/45/94/27/399459427.db2.gz IIBDBPPSHWHMPC-UWVGGRQHSA-N 1 0 315.320 2.725 20 5 DFBDRO COC[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505745 399462535 /nfs/dbraw/zinc/46/25/35/399462535.db2.gz YIIBIWGCRPEODR-ZCFIWIBFSA-N 1 0 309.185 2.543 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602519819 399467115 /nfs/dbraw/zinc/46/71/15/399467115.db2.gz BGTRTASXDJDNBH-STQMWFEESA-N 1 0 306.410 2.983 20 5 DFBDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000602516769 399466517 /nfs/dbraw/zinc/46/65/17/399466517.db2.gz QSQLPHGULZGDMJ-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000602518378 399466688 /nfs/dbraw/zinc/46/66/88/399466688.db2.gz QSHSGUQPVJTGHB-JTQLQIEISA-N 1 0 317.345 2.869 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602532845 399469311 /nfs/dbraw/zinc/46/93/11/399469311.db2.gz MTJXFLKMIAGFIN-OAHLLOKOSA-N 1 0 317.389 2.733 20 5 DFBDRO CO[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000602548809 399473256 /nfs/dbraw/zinc/47/32/56/399473256.db2.gz FNYNEJQZWXYNDG-SFHVURJKSA-N 1 0 314.385 2.985 20 5 DFBDRO CC(C)C([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000611434003 399476238 /nfs/dbraw/zinc/47/62/38/399476238.db2.gz CCAAQSRUDKCWAQ-UHFFFAOYSA-N 1 0 319.405 2.754 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCC(F)(F)C1)OCCO2 ZINC000611464359 399478846 /nfs/dbraw/zinc/47/88/46/399478846.db2.gz CFZIZWOLIUSUCB-SNVBAGLBSA-N 1 0 314.288 2.643 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@H]43)nc2c1 ZINC000602567910 399478237 /nfs/dbraw/zinc/47/82/37/399478237.db2.gz LVCFHYMMJXRLDL-SCRDCRAPSA-N 1 0 317.345 2.783 20 5 DFBDRO Cc1ncc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000346811335 284953994 /nfs/dbraw/zinc/95/39/94/284953994.db2.gz TZEHZXSNIBTSCX-LLVKDONJSA-N 1 0 316.361 2.510 20 5 DFBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602575855 399480434 /nfs/dbraw/zinc/48/04/34/399480434.db2.gz HGVXOAFTTZJUJA-RCOVLWMOSA-N 1 0 321.196 2.686 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602578794 399481679 /nfs/dbraw/zinc/48/16/79/399481679.db2.gz HDEBSSLABLJHMK-CYBMUJFWSA-N 1 0 305.378 2.555 20 5 DFBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602581038 399482298 /nfs/dbraw/zinc/48/22/98/399482298.db2.gz GVVXSTQQCIHGQT-GXFFZTMASA-N 1 0 305.334 2.641 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)Cc1ccccc1 ZINC000602583195 399482945 /nfs/dbraw/zinc/48/29/45/399482945.db2.gz RKMSJGRTWAMSHW-KDOFPFPSSA-N 1 0 314.385 2.719 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000611501836 399483455 /nfs/dbraw/zinc/48/34/55/399483455.db2.gz ITWJHLGVJYFVKW-SMDDNHRTSA-N 1 0 323.368 2.912 20 5 DFBDRO CCOCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602586042 399483762 /nfs/dbraw/zinc/48/37/62/399483762.db2.gz NTDXAFDXUYVCKZ-UHFFFAOYSA-N 1 0 309.185 2.545 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNCC[NH+]1CCCC1 ZINC000602585255 399483898 /nfs/dbraw/zinc/48/38/98/399483898.db2.gz FHQYYDRDHBUTFZ-UHFFFAOYSA-N 1 0 317.311 2.799 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000602590399 399485256 /nfs/dbraw/zinc/48/52/56/399485256.db2.gz UAYRESMVEQAQJJ-JOYOIKCWSA-N 1 0 316.279 2.640 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000602593766 399486385 /nfs/dbraw/zinc/48/63/85/399486385.db2.gz MYAUSPWBYUUURG-AAEUAGOBSA-N 1 0 319.405 2.559 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000602604941 399487899 /nfs/dbraw/zinc/48/78/99/399487899.db2.gz RVWZMBHRGKIVKA-JOCQHMNTSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602604126 399487924 /nfs/dbraw/zinc/48/79/24/399487924.db2.gz WYYNNITXLJKWAX-BQBZGAKWSA-N 1 0 323.212 2.668 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000346877057 284969197 /nfs/dbraw/zinc/96/91/97/284969197.db2.gz SCSHSWICDWUDOA-BBRMVZONSA-N 1 0 304.390 2.932 20 5 DFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000602620732 399492432 /nfs/dbraw/zinc/49/24/32/399492432.db2.gz FPDHDNQGVRVVRO-JTQLQIEISA-N 1 0 317.370 2.749 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000602623807 399494077 /nfs/dbraw/zinc/49/40/77/399494077.db2.gz QWZYBJQLVFDGDN-TVQRCGJNSA-N 1 0 318.295 2.816 20 5 DFBDRO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602644429 399500950 /nfs/dbraw/zinc/50/09/50/399500950.db2.gz QMVDBKGGWLSPFW-LBPRGKRZSA-N 1 0 318.295 2.816 20 5 DFBDRO C[C@@H](C[NH+](C)C)NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602655047 399503674 /nfs/dbraw/zinc/50/36/74/399503674.db2.gz OCESXKZYRHLQFU-VIFPVBQESA-N 1 0 305.300 2.653 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708951 399508226 /nfs/dbraw/zinc/50/82/26/399508226.db2.gz OUCRJXXCADOLMW-ABAIWWIYSA-N 1 0 315.377 2.679 20 5 DFBDRO CC[C@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602666837 399511069 /nfs/dbraw/zinc/51/10/69/399511069.db2.gz LTZKPKJWYDLKBO-SSDOTTSWSA-N 1 0 323.212 2.933 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c21 ZINC000347393938 285029694 /nfs/dbraw/zinc/02/96/94/285029694.db2.gz BCHIHISJQLONEI-DGCLKSJQSA-N 1 0 313.361 2.577 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c21 ZINC000347393940 285029752 /nfs/dbraw/zinc/02/97/52/285029752.db2.gz BCHIHISJQLONEI-YPMHNXCESA-N 1 0 313.361 2.577 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119686811 195017363 /nfs/dbraw/zinc/01/73/63/195017363.db2.gz UJLDEBWYDUBKGN-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119675689 195014265 /nfs/dbraw/zinc/01/42/65/195014265.db2.gz SNWMQYFGLLPWCP-GFCCVEGCSA-N 1 0 313.357 2.853 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602675484 399515860 /nfs/dbraw/zinc/51/58/60/399515860.db2.gz JSDCMBZRFKLAAA-GFCCVEGCSA-N 1 0 320.393 2.946 20 5 DFBDRO C[C@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000120106878 195098311 /nfs/dbraw/zinc/09/83/11/195098311.db2.gz NGXRLVGKIMUCOQ-HNNXBMFYSA-N 1 0 319.386 2.987 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686908 399520962 /nfs/dbraw/zinc/52/09/62/399520962.db2.gz SDCQGFSWOJABKD-ZDUSSCGKSA-N 1 0 318.377 2.651 20 5 DFBDRO CC(C)C[N@H+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602700429 399526746 /nfs/dbraw/zinc/52/67/46/399526746.db2.gz SEEIQHZONQKARI-UHFFFAOYSA-N 1 0 320.393 2.804 20 5 DFBDRO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CO1 ZINC000602701247 399527855 /nfs/dbraw/zinc/52/78/55/399527855.db2.gz XYQQBMDKOJIPPK-CMPLNLGQSA-N 1 0 305.334 2.735 20 5 DFBDRO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@H+](C)C1 ZINC000602699573 399526887 /nfs/dbraw/zinc/52/68/87/399526887.db2.gz IQBYNMHHZGYMEH-ZDUSSCGKSA-N 1 0 318.377 2.652 20 5 DFBDRO COc1cc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000302690145 533035754 /nfs/dbraw/zinc/03/57/54/533035754.db2.gz VBFONHSNAUGSPY-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO C[C@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602708450 399531041 /nfs/dbraw/zinc/53/10/41/399531041.db2.gz HHFOOVGUBHUHGK-VIFPVBQESA-N 1 0 318.295 2.959 20 5 DFBDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610777 285091537 /nfs/dbraw/zinc/09/15/37/285091537.db2.gz ZMKLJXHQZBODIY-ZIAGYGMSSA-N 1 0 321.421 2.903 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000347618080 285095441 /nfs/dbraw/zinc/09/54/41/285095441.db2.gz OHRJHPIVJCVQLT-UHFFFAOYSA-N 1 0 313.357 2.803 20 5 DFBDRO CCC(F)(F)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602722512 399539643 /nfs/dbraw/zinc/53/96/43/399539643.db2.gz FYXBPHKUDXLOPH-UHFFFAOYSA-N 1 0 314.336 2.594 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnccc1N ZINC000423041566 296370878 /nfs/dbraw/zinc/37/08/78/296370878.db2.gz JMTIDUPWFSQIEP-JTQLQIEISA-N 1 0 320.780 2.949 20 5 DFBDRO CC(C)c1ccc(CN2CCSC[C@H]2CO)cc1[N+](=O)[O-] ZINC000602750516 399555097 /nfs/dbraw/zinc/55/50/97/399555097.db2.gz JLLOADRXAYLYMB-CYBMUJFWSA-N 1 0 310.419 2.628 20 5 DFBDRO Cc1c(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272963477 210348279 /nfs/dbraw/zinc/34/82/79/210348279.db2.gz NTXGEOIRXRFSSN-LBPRGKRZSA-N 1 0 318.377 2.675 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H](O)C3)o2)c1 ZINC000158774180 197299704 /nfs/dbraw/zinc/29/97/04/197299704.db2.gz XUQRQDRTNVLMIS-CQSZACIVSA-N 1 0 302.330 2.812 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272947592 210334667 /nfs/dbraw/zinc/33/46/67/210334667.db2.gz MLMZPKNPFFPPHI-SNVBAGLBSA-N 1 0 306.322 2.565 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OCCC(C)C)CC1 ZINC000602765413 399562782 /nfs/dbraw/zinc/56/27/82/399562782.db2.gz LDQPKFXBXISVBJ-UHFFFAOYSA-N 1 0 324.425 2.627 20 5 DFBDRO Cc1noc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000272883446 210273304 /nfs/dbraw/zinc/27/33/04/210273304.db2.gz WBAKRGDLTLVFEU-UHFFFAOYSA-N 1 0 313.317 2.797 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CCO)c2ccccc2)c1 ZINC000271660359 209103256 /nfs/dbraw/zinc/10/32/56/209103256.db2.gz KYBIMZXXWBIEPO-KRWDZBQOSA-N 1 0 316.357 2.687 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)c1 ZINC000365166806 285153587 /nfs/dbraw/zinc/15/35/87/285153587.db2.gz ZUISZOOBLSIGIX-MAUKXSAKSA-N 1 0 312.369 2.980 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000602784126 399571261 /nfs/dbraw/zinc/57/12/61/399571261.db2.gz QAMNTXXAVAZECM-OAHLLOKOSA-N 1 0 317.393 2.665 20 5 DFBDRO Cc1cnc(CC[N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000157838040 197219170 /nfs/dbraw/zinc/21/91/70/197219170.db2.gz DLVJDLGRTYGANR-AWEZNQCLSA-N 1 0 321.402 2.568 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000301536781 285166000 /nfs/dbraw/zinc/16/60/00/285166000.db2.gz AFKDZRSSGPOOOP-OAHLLOKOSA-N 1 0 312.373 2.748 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCOc2ccccc2[C@H]1C ZINC000602788229 399573482 /nfs/dbraw/zinc/57/34/82/399573482.db2.gz NORSSEQUVYSHIH-GFCCVEGCSA-N 1 0 316.361 2.555 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000602786043 399573772 /nfs/dbraw/zinc/57/37/72/399573772.db2.gz LHDSSKXFPPKXSD-MRXNPFEDSA-N 1 0 304.394 2.922 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000602791259 399576266 /nfs/dbraw/zinc/57/62/66/399576266.db2.gz CLDBJRHEADLDOD-KRWDZBQOSA-N 1 0 314.389 2.941 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120313539 195141323 /nfs/dbraw/zinc/14/13/23/195141323.db2.gz UAEOUNGXGLUPKZ-XHSDSOJGSA-N 1 0 320.389 2.719 20 5 DFBDRO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1 ZINC000602798907 399579741 /nfs/dbraw/zinc/57/97/41/399579741.db2.gz HGUHQFIDBGDOAO-HNNXBMFYSA-N 1 0 318.377 2.824 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000602803605 399581129 /nfs/dbraw/zinc/58/11/29/399581129.db2.gz DMNVNJZPAHZEEI-VIFPVBQESA-N 1 0 310.304 2.729 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000602806257 399582173 /nfs/dbraw/zinc/58/21/73/399582173.db2.gz PWAGMDPRRFMDJN-UHFFFAOYSA-N 1 0 302.378 2.933 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000602806132 399582354 /nfs/dbraw/zinc/58/23/54/399582354.db2.gz LVNWRPVFIAKDHO-MWLCHTKSSA-N 1 0 320.315 2.763 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000602806510 399582418 /nfs/dbraw/zinc/58/24/18/399582418.db2.gz VCMDHFCBBQHWCT-OLZOCXBDSA-N 1 0 302.378 2.882 20 5 DFBDRO CCc1ccc(C(C)(C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602804349 399582634 /nfs/dbraw/zinc/58/26/34/399582634.db2.gz FVUQFFOELVALLE-UHFFFAOYSA-N 1 0 302.378 2.916 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000347785014 285173056 /nfs/dbraw/zinc/17/30/56/285173056.db2.gz MYKOSCOBJYNKLN-HIFRSBDPSA-N 1 0 322.405 2.832 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602818636 399587708 /nfs/dbraw/zinc/58/77/08/399587708.db2.gz VZGMEFLSSKKFBN-GDBMZVCRSA-N 1 0 314.389 2.829 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@H]1C ZINC000602838301 399595993 /nfs/dbraw/zinc/59/59/93/399595993.db2.gz BDNINQZPSPTTCM-MWLCHTKSSA-N 1 0 320.315 2.763 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000156419196 197112254 /nfs/dbraw/zinc/11/22/54/197112254.db2.gz XBNZOEMUKNPRIV-JQWIXIFHSA-N 1 0 323.418 2.516 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000602848007 399600323 /nfs/dbraw/zinc/60/03/23/399600323.db2.gz XJXBTMJODVJXTH-UHFFFAOYSA-N 1 0 318.402 2.764 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155534575 197063814 /nfs/dbraw/zinc/06/38/14/197063814.db2.gz COTXDLMIEYOPBY-TZMCWYRMSA-N 1 0 306.362 2.931 20 5 DFBDRO Cc1c(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000155484185 197059612 /nfs/dbraw/zinc/05/96/12/197059612.db2.gz WDGCNYWCJZCOCB-UHFFFAOYSA-N 1 0 321.421 2.934 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](n2ccnn2)C1 ZINC000602866734 399609014 /nfs/dbraw/zinc/60/90/14/399609014.db2.gz UFKWOKOKOGLRDD-TZMCWYRMSA-N 1 0 301.350 2.503 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120403387 195159838 /nfs/dbraw/zinc/15/98/38/195159838.db2.gz PHODNSRWYCCXAH-BMFZPTHFSA-N 1 0 320.389 2.849 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153042599 196846973 /nfs/dbraw/zinc/84/69/73/196846973.db2.gz UXCKISWTQLZYSI-STQMWFEESA-N 1 0 303.362 2.574 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000152876504 196831829 /nfs/dbraw/zinc/83/18/29/196831829.db2.gz DYHDXEAESZROGN-GJZGRUSLSA-N 1 0 319.405 2.849 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577439 209027200 /nfs/dbraw/zinc/02/72/00/209027200.db2.gz RNRFAFNLIMMTBY-NFAWXSAZSA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000602903380 399621173 /nfs/dbraw/zinc/62/11/73/399621173.db2.gz ROCFTYQPYUDAHA-UHFFFAOYSA-N 1 0 312.373 2.721 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000423620744 296434403 /nfs/dbraw/zinc/43/44/03/296434403.db2.gz WUHDKUQQIPXAIO-ZWNOBZJWSA-N 1 0 323.418 2.577 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000602915219 399624304 /nfs/dbraw/zinc/62/43/04/399624304.db2.gz HYBGTORYQRGOSQ-INIZCTEOSA-N 1 0 315.377 2.626 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000330852183 533219371 /nfs/dbraw/zinc/21/93/71/533219371.db2.gz MERJASYWGHZSJG-LSDHHAIUSA-N 1 0 322.405 2.832 20 5 DFBDRO CCOc1cc(CN2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000617212556 399630014 /nfs/dbraw/zinc/63/00/14/399630014.db2.gz DYLOIZARFJZPHN-HNNXBMFYSA-N 1 0 321.421 2.956 20 5 DFBDRO CC(C)c1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000423661998 296437191 /nfs/dbraw/zinc/43/71/91/296437191.db2.gz BEBXMTDSUBKAOE-UHFFFAOYSA-N 1 0 307.394 2.966 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](CC)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000617214868 399630919 /nfs/dbraw/zinc/63/09/19/399630919.db2.gz GKLYRUPIXYRECA-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000294913908 224307467 /nfs/dbraw/zinc/30/74/67/224307467.db2.gz YFTDBPSYWSFWOM-INIZCTEOSA-N 1 0 300.358 2.942 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289851770 221269716 /nfs/dbraw/zinc/26/97/16/221269716.db2.gz PSSRZSAXQWGBAO-ZWNOBZJWSA-N 1 0 300.305 2.605 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000289852663 221270095 /nfs/dbraw/zinc/27/00/95/221270095.db2.gz QMYSIIFRSOKIME-UHFFFAOYSA-N 1 0 320.393 2.715 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCCCC(=O)OC ZINC000289912978 221311584 /nfs/dbraw/zinc/31/15/84/221311584.db2.gz VCFVZKQHUGKXOQ-UHFFFAOYSA-N 1 0 324.377 2.817 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612443814 399653959 /nfs/dbraw/zinc/65/39/59/399653959.db2.gz LBUMIXBENCRMCI-LBPRGKRZSA-N 1 0 315.377 2.505 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997654 399654384 /nfs/dbraw/zinc/65/43/84/399654384.db2.gz OLGHYFQIDOPGHX-OAGGEKHMSA-N 1 0 320.389 2.729 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000602997252 399654447 /nfs/dbraw/zinc/65/44/47/399654447.db2.gz GIZLUFQMWQDKSR-ZACQAIPSSA-N 1 0 304.390 2.763 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c1 ZINC000602997262 399654517 /nfs/dbraw/zinc/65/45/17/399654517.db2.gz GQCRKRHBGZNKSK-ZACQAIPSSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602998174 399656243 /nfs/dbraw/zinc/65/62/43/399656243.db2.gz YMAUOLZLVOCRRT-XFJVYGCCSA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000603029131 399660429 /nfs/dbraw/zinc/66/04/29/399660429.db2.gz WJBLRGFHTYMJLF-HNNXBMFYSA-N 1 0 316.361 2.685 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCCn3nccc32)ccc1[N+](=O)[O-] ZINC000603028198 399660671 /nfs/dbraw/zinc/66/06/71/399660671.db2.gz BCESWACEOLSQFZ-ZDUSSCGKSA-N 1 0 316.361 2.815 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@H]1C1CC1 ZINC000602974503 399643572 /nfs/dbraw/zinc/64/35/72/399643572.db2.gz PFSLRUFHFPONNQ-HOTGVXAUSA-N 1 0 320.389 2.727 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000602983679 399649548 /nfs/dbraw/zinc/64/95/48/399649548.db2.gz QEZXLGQCTIZNPG-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1cccc(Cn2cc(C[NH2+]C3CCCCC3)nn2)c1 ZINC000603161489 399700192 /nfs/dbraw/zinc/70/01/92/399700192.db2.gz LBOBJKLUZRDIIQ-UHFFFAOYSA-N 1 0 315.377 2.657 20 5 DFBDRO Cc1c(Cn2cc([C@@H]([NH3+])C(C)(C)C)nn2)cccc1[N+](=O)[O-] ZINC000603199074 399708532 /nfs/dbraw/zinc/70/85/32/399708532.db2.gz QWMZAVCJHDGPNP-CQSZACIVSA-N 1 0 303.366 2.589 20 5 DFBDRO C[C@@H](CCO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000295033592 224391819 /nfs/dbraw/zinc/39/18/19/224391819.db2.gz DKNPYOMYALNMGD-SNVBAGLBSA-N 1 0 318.320 2.694 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423742910 296442981 /nfs/dbraw/zinc/44/29/81/296442981.db2.gz LHDGJMBFJAWKQS-AAEUAGOBSA-N 1 0 305.378 2.575 20 5 DFBDRO CC[C@](C)([NH3+])c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252102 399724439 /nfs/dbraw/zinc/72/44/39/399724439.db2.gz VAIQSICEYJZJHA-ABAIWWIYSA-N 1 0 303.366 2.688 20 5 DFBDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612823530 399731725 /nfs/dbraw/zinc/73/17/25/399731725.db2.gz GAOHRQSIHDQPTP-ZDUSSCGKSA-N 1 0 307.350 2.623 20 5 DFBDRO Cc1nn(C[C@H]2CCCC[N@H+]2C(C)C)c2ncc([N+](=O)[O-])cc12 ZINC000603327619 399745154 /nfs/dbraw/zinc/74/51/54/399745154.db2.gz OIZWPRJQZISBHW-CYBMUJFWSA-N 1 0 317.393 2.911 20 5 DFBDRO C[C@@H](CCCCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000294981195 533545573 /nfs/dbraw/zinc/54/55/73/533545573.db2.gz GNWYUDJBVXVQMF-JTQLQIEISA-N 1 0 318.320 2.837 20 5 DFBDRO C[C@@H](CCNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302120622 533613068 /nfs/dbraw/zinc/61/30/68/533613068.db2.gz DJKFEAJWDHOYTM-NSHDSACASA-N 1 0 323.422 2.980 20 5 DFBDRO CC[N@H+](C)CCNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275562693 130338187 /nfs/dbraw/zinc/33/81/87/130338187.db2.gz OKOFXRBENKLALR-UHFFFAOYSA-N 1 0 323.396 2.775 20 5 DFBDRO CC[NH+]1CCC(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000275759266 130380509 /nfs/dbraw/zinc/38/05/09/130380509.db2.gz FRPYGAZFEKERTO-UHFFFAOYSA-N 1 0 319.405 2.932 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617731480 399786497 /nfs/dbraw/zinc/78/64/97/399786497.db2.gz GTNMDOSMMWBDIA-UKRRQHHQSA-N 1 0 319.405 2.689 20 5 DFBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871506 399810874 /nfs/dbraw/zinc/81/08/74/399810874.db2.gz DBEAQMVJYYIXAX-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO O=[N+]([O-])c1ncccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000603848739 399808725 /nfs/dbraw/zinc/80/87/25/399808725.db2.gz JIRXGQYWIKFPRG-UHFFFAOYSA-N 1 0 312.373 2.850 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424462309 296510744 /nfs/dbraw/zinc/51/07/44/296510744.db2.gz MILKZWSJGSJADT-MRVWCRGKSA-N 1 0 320.393 2.533 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000348842921 285696321 /nfs/dbraw/zinc/69/63/21/285696321.db2.gz VYOPBKLGDDDHPH-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604557544 399855539 /nfs/dbraw/zinc/85/55/39/399855539.db2.gz PUXOJURWZURCCR-OAHLLOKOSA-N 1 0 314.389 2.750 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC000604553782 399855104 /nfs/dbraw/zinc/85/51/04/399855104.db2.gz DHGMZVQQGLWHEM-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339828036 543146824 /nfs/dbraw/zinc/14/68/24/543146824.db2.gz RPNPNWISXSTBQU-INIZCTEOSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)F ZINC000349207002 285805139 /nfs/dbraw/zinc/80/51/39/285805139.db2.gz FTBJUHCPCZLKRR-GXSJLCMTSA-N 1 0 320.361 2.681 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000170916136 145255724 /nfs/dbraw/zinc/25/57/24/145255724.db2.gz LBUFGLPKSLTCLY-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000172168536 145293568 /nfs/dbraw/zinc/29/35/68/145293568.db2.gz INKZAEBFQGEIDY-LRDDRELGSA-N 1 0 317.389 2.868 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172960899 145326475 /nfs/dbraw/zinc/32/64/75/145326475.db2.gz KLNUVVCIKREBQY-LEWSCRJBSA-N 1 0 303.362 2.510 20 5 DFBDRO Cc1cc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000182760762 145645175 /nfs/dbraw/zinc/64/51/75/145645175.db2.gz CGCWGQMGJHSWLJ-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CC[C@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234027782 146018543 /nfs/dbraw/zinc/01/85/43/146018543.db2.gz ZOYSPKMQJMYBDZ-QMMMGPOBSA-N 1 0 302.172 2.815 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245552411 146082769 /nfs/dbraw/zinc/08/27/69/146082769.db2.gz QKSNYRZNKHYYOK-CZUORRHYSA-N 1 0 322.405 2.976 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCC[C@H]1O ZINC000245558598 146084321 /nfs/dbraw/zinc/08/43/21/146084321.db2.gz VQRUPAQSLGFEEE-BXUZGUMPSA-N 1 0 319.361 2.719 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000250111868 146210807 /nfs/dbraw/zinc/21/08/07/146210807.db2.gz LSUNHOUWBJEICX-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000261623113 146248391 /nfs/dbraw/zinc/24/83/91/146248391.db2.gz BDEKRLLRALVMJN-UHFFFAOYSA-N 1 0 318.377 2.591 20 5 DFBDRO [NH3+]C1(c2noc(/C=C/c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000261683692 146259465 /nfs/dbraw/zinc/25/94/65/146259465.db2.gz HAHFYKFKQBCNHG-BQYQJAHWSA-N 1 0 300.318 2.876 20 5 DFBDRO COCC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261734902 146268252 /nfs/dbraw/zinc/26/82/52/146268252.db2.gz RPEHAXNELWDVOV-UHFFFAOYSA-N 1 0 313.785 2.676 20 5 DFBDRO Cc1c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000261846350 146289393 /nfs/dbraw/zinc/28/93/93/146289393.db2.gz ZHRQGODFKFVNKV-OAHLLOKOSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000261934453 146304053 /nfs/dbraw/zinc/30/40/53/146304053.db2.gz TUUZMVIHILATTN-MRXNPFEDSA-N 1 0 313.357 2.902 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261929858 146304080 /nfs/dbraw/zinc/30/40/80/146304080.db2.gz SQNIWYCFCNYKJW-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000261934448 146304642 /nfs/dbraw/zinc/30/46/42/146304642.db2.gz TUUZMVIHILATTN-INIZCTEOSA-N 1 0 313.357 2.902 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CCC[NH2+]C1 ZINC000261988347 146317647 /nfs/dbraw/zinc/31/76/47/146317647.db2.gz SRRWFUQTNKZZAG-NWDGAFQWSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000262137813 146338310 /nfs/dbraw/zinc/33/83/10/146338310.db2.gz YUQMIPDCXOMTDW-XHDPSFHLSA-N 1 0 301.346 2.634 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000262137812 146338382 /nfs/dbraw/zinc/33/83/82/146338382.db2.gz YUQMIPDCXOMTDW-NHYWBVRUSA-N 1 0 301.346 2.634 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000262336932 146352139 /nfs/dbraw/zinc/35/21/39/146352139.db2.gz TVJXEWTVGPOZBD-CQSZACIVSA-N 1 0 306.366 2.624 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000262412741 146358165 /nfs/dbraw/zinc/35/81/65/146358165.db2.gz DGMZEFHZBPZAOF-CQSZACIVSA-N 1 0 305.378 2.509 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000262434075 146358882 /nfs/dbraw/zinc/35/88/82/146358882.db2.gz GECGLYUVMMCNGH-ZDUSSCGKSA-N 1 0 318.764 2.942 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000354379816 147015534 /nfs/dbraw/zinc/01/55/34/147015534.db2.gz COPMKGNMFGCAOC-RYUDHWBXSA-N 1 0 323.368 2.679 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354422593 147030625 /nfs/dbraw/zinc/03/06/25/147030625.db2.gz GSQWGISGUKZTCJ-OCCSQVGLSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354444988 147039407 /nfs/dbraw/zinc/03/94/07/147039407.db2.gz LKLRQTQBZVZBFG-OAHLLOKOSA-N 1 0 319.405 2.898 20 5 DFBDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000354451798 147042462 /nfs/dbraw/zinc/04/24/62/147042462.db2.gz LMCUONMWJXKLFK-ZDUSSCGKSA-N 1 0 323.393 2.587 20 5 DFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354869991 147185022 /nfs/dbraw/zinc/18/50/22/147185022.db2.gz QWYCCUQLOKFLNB-GHMZBOCLSA-N 1 0 302.334 2.875 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000354985378 147213728 /nfs/dbraw/zinc/21/37/28/147213728.db2.gz SMNUYQUGUCPMJW-DAXOMENPSA-N 1 0 308.378 2.748 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000350093015 286003429 /nfs/dbraw/zinc/00/34/29/286003429.db2.gz VKQRVTUPOKHIEQ-CABCVRRESA-N 1 0 324.425 2.707 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684951 148085135 /nfs/dbraw/zinc/08/51/35/148085135.db2.gz YAQDCSAHDLBINV-CMPLNLGQSA-N 1 0 306.366 2.507 20 5 DFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350254071 286021678 /nfs/dbraw/zinc/02/16/78/286021678.db2.gz QRBDIGHEJKCWEX-JTQLQIEISA-N 1 0 312.341 2.944 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000358141478 148257380 /nfs/dbraw/zinc/25/73/80/148257380.db2.gz YREBGLBIERYVEB-GFCCVEGCSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358347455 148336926 /nfs/dbraw/zinc/33/69/26/148336926.db2.gz BIRLTMXQPMDRPK-MWLCHTKSSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000358378369 148346164 /nfs/dbraw/zinc/34/61/64/148346164.db2.gz VAMUBLDYLRHXBP-VHSXEESVSA-N 1 0 306.284 2.867 20 5 DFBDRO C[NH+](C)CC1(C(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000358599227 148394444 /nfs/dbraw/zinc/39/44/44/148394444.db2.gz ITHUMFFMHBTLJV-UHFFFAOYSA-N 1 0 319.405 2.723 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493086854 299712440 /nfs/dbraw/zinc/71/24/40/299712440.db2.gz FMMWIIUCMXLVDQ-XMELGKRDSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000350627636 286064949 /nfs/dbraw/zinc/06/49/49/286064949.db2.gz RUIFCVCIWWZUOR-UHFFFAOYSA-N 1 0 307.369 2.840 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360989211 149001352 /nfs/dbraw/zinc/00/13/52/149001352.db2.gz AWNWJXRSTXAVHI-CQSZACIVSA-N 1 0 319.405 2.966 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000361001399 149004786 /nfs/dbraw/zinc/00/47/86/149004786.db2.gz GPNPXRUOEHKUIK-AWEZNQCLSA-N 1 0 321.425 2.574 20 5 DFBDRO Cc1cnc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000361262985 149069588 /nfs/dbraw/zinc/06/95/88/149069588.db2.gz QORGHHGDTAFKSY-UHFFFAOYSA-N 1 0 312.373 2.768 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361515969 149137025 /nfs/dbraw/zinc/13/70/25/149137025.db2.gz MYPOYZQPEPDVLX-HUUCEWRRSA-N 1 0 318.377 2.685 20 5 DFBDRO CCCC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350865101 286095895 /nfs/dbraw/zinc/09/58/95/286095895.db2.gz AILILZWZPCQOBN-GFCCVEGCSA-N 1 0 323.368 2.615 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000361734225 149203416 /nfs/dbraw/zinc/20/34/16/149203416.db2.gz DWQKYBQUBUFFKC-INIZCTEOSA-N 1 0 320.414 2.987 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000361865386 149241124 /nfs/dbraw/zinc/24/11/24/149241124.db2.gz MOHVJGUIYBZERH-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO COc1ccc(C[N@H+](CCO)CC2CCCCC2)cc1[N+](=O)[O-] ZINC000362528729 149297811 /nfs/dbraw/zinc/29/78/11/149297811.db2.gz OLORHERUPMTWNY-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO O=[N+]([O-])c1ccc(CNc2nc3cc(F)ccc3[nH]2)c(F)c1 ZINC000362642056 149331150 /nfs/dbraw/zinc/33/11/50/149331150.db2.gz HFYGRDOIFMCMHP-UHFFFAOYSA-N 1 0 304.256 2.783 20 5 DFBDRO Cc1cnn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000369276433 149761608 /nfs/dbraw/zinc/76/16/08/149761608.db2.gz HCSZUCPZIFDWGX-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000370726142 149973552 /nfs/dbraw/zinc/97/35/52/149973552.db2.gz YRMSHIYJLRLQAD-CVEARBPZSA-N 1 0 306.362 2.651 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(CN3CCOCC4(CCC4)C3)nc2c1 ZINC000371898992 150110982 /nfs/dbraw/zinc/11/09/82/150110982.db2.gz KCRKYSDXIQXNHU-UHFFFAOYSA-N 1 0 317.345 2.739 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372899924 150199774 /nfs/dbraw/zinc/19/97/74/150199774.db2.gz MDILXWOEKDNLGZ-HNNXBMFYSA-N 1 0 321.352 2.937 20 5 DFBDRO CC[NH+]1CCC(N(C(=O)c2ccc([N+](=O)[O-])s2)C2CC2)CC1 ZINC000374019377 150294026 /nfs/dbraw/zinc/29/40/26/150294026.db2.gz JUMHMEPKRLVBBL-UHFFFAOYSA-N 1 0 323.418 2.745 20 5 DFBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000374197451 150320716 /nfs/dbraw/zinc/32/07/16/150320716.db2.gz DDXJBFMCEHAKNW-HBBFGDNQSA-N 1 0 317.345 2.614 20 5 DFBDRO C[N@H+](C[C@@H]1CC12CCN(c1ncc([N+](=O)[O-])s1)CC2)C1CC1 ZINC000374423889 150364914 /nfs/dbraw/zinc/36/49/14/150364914.db2.gz OIFJUEJOROOKCI-NSHDSACASA-N 1 0 322.434 2.752 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444214 150368715 /nfs/dbraw/zinc/36/87/15/150368715.db2.gz PVMOVODECZJGQW-HIFRSBDPSA-N 1 0 300.362 2.916 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375034775 150388547 /nfs/dbraw/zinc/38/85/47/150388547.db2.gz DHTZPXYMBLVDGP-SWLSCSKDSA-N 1 0 309.797 2.774 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000375254850 150418272 /nfs/dbraw/zinc/41/82/72/150418272.db2.gz AWDNAQNLIXOSRD-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377440450 150690941 /nfs/dbraw/zinc/69/09/41/150690941.db2.gz VBLLVTBJHMGQCY-OAHLLOKOSA-N 1 0 318.377 2.687 20 5 DFBDRO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000427353828 296654451 /nfs/dbraw/zinc/65/44/51/296654451.db2.gz CVCIEUXOGMZVTF-QWHCGFSZSA-N 1 0 305.378 2.552 20 5 DFBDRO COc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000351937295 286250252 /nfs/dbraw/zinc/25/02/52/286250252.db2.gz POIJOIDTNSVCDN-UKRRQHHQSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000427839253 296669844 /nfs/dbraw/zinc/66/98/44/296669844.db2.gz DHDJXIANUGFWSR-STQMWFEESA-N 1 0 300.362 2.765 20 5 DFBDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407826 286365904 /nfs/dbraw/zinc/36/59/04/286365904.db2.gz SBZBREWNGQNYJK-KBPBESRZSA-N 1 0 300.305 2.514 20 5 DFBDRO COc1cc(C[NH2+]C2(CCO)CCCCC2)ccc1[N+](=O)[O-] ZINC000352780481 286465904 /nfs/dbraw/zinc/46/59/04/286465904.db2.gz USGZRZWLEYOLBG-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO CC(C)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000352896669 286497032 /nfs/dbraw/zinc/49/70/32/286497032.db2.gz JFIVGWRRGFURNJ-LYASGUKUSA-N 1 0 315.377 2.723 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](CO)C3CC3)o2)c1 ZINC000353073934 286544828 /nfs/dbraw/zinc/54/48/28/286544828.db2.gz RIXZIIZGZDBHMA-AWEZNQCLSA-N 1 0 316.357 2.963 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@]12CCCO2 ZINC000353210626 286580349 /nfs/dbraw/zinc/58/03/49/286580349.db2.gz ZOAIWLYKCXLYPJ-BZUAXINKSA-N 1 0 324.352 2.550 20 5 DFBDRO CC[C@H](Cn1cncn1)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353267512 286595860 /nfs/dbraw/zinc/59/58/60/286595860.db2.gz PUPPNTSQLMGUTI-HIFRSBDPSA-N 1 0 303.366 2.706 20 5 DFBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429777862 296758835 /nfs/dbraw/zinc/75/88/35/296758835.db2.gz XEGPTCZJRHCCHW-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO CC[C@H]([NH2+]CCCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181755608 157996689 /nfs/dbraw/zinc/99/66/89/157996689.db2.gz DSDHECPSSPTIHY-HNNXBMFYSA-N 1 0 307.394 2.798 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000246954448 158108279 /nfs/dbraw/zinc/10/82/79/158108279.db2.gz MBEVIESOCJBIFB-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000246996137 158112805 /nfs/dbraw/zinc/11/28/05/158112805.db2.gz JPDDLEACCBFEHN-UBHSHLNASA-N 1 0 308.378 2.748 20 5 DFBDRO CC[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000247868203 158150998 /nfs/dbraw/zinc/15/09/98/158150998.db2.gz XDAVEIUUWRHRDE-ZBFHGGJFSA-N 1 0 321.421 2.698 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000248545126 158182195 /nfs/dbraw/zinc/18/21/95/158182195.db2.gz DYRYDKNTHBXFCG-RMRKRWHISA-N 1 0 322.405 2.749 20 5 DFBDRO CC[N@H+](CCC1CC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355067266 158265372 /nfs/dbraw/zinc/26/53/72/158265372.db2.gz UQBDYVDFXDCSRH-MRXNPFEDSA-N 1 0 317.389 2.822 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000355156702 158287421 /nfs/dbraw/zinc/28/74/21/158287421.db2.gz FFLOIIAUEPJMSY-ZLDLUXBVSA-N 1 0 320.389 2.971 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207601 158298716 /nfs/dbraw/zinc/29/87/16/158298716.db2.gz OMCOFPXRYZVNHF-GJZGRUSLSA-N 1 0 320.389 2.852 20 5 DFBDRO O=[N+]([O-])c1cnccc1NCc1ccccc1C[NH+]1CCCC1 ZINC000357025962 158350832 /nfs/dbraw/zinc/35/08/32/158350832.db2.gz DTSPDTPWJLVCPH-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357034660 158352749 /nfs/dbraw/zinc/35/27/49/158352749.db2.gz IQNBNROYKAWPMU-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([NH2+]CC2CC2)CC1 ZINC000430583204 296797286 /nfs/dbraw/zinc/79/72/86/296797286.db2.gz MOMFVLRHDHWXJL-UHFFFAOYSA-N 1 0 307.369 2.698 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053304170 425887235 /nfs/dbraw/zinc/88/72/35/425887235.db2.gz UGCTXQXEDILIKQ-VXGBXAGGSA-N 1 0 323.393 2.674 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000269387513 287232239 /nfs/dbraw/zinc/23/22/39/287232239.db2.gz RDILYYZAFYHUCI-NEPJUHHUSA-N 1 0 310.785 2.706 20 5 DFBDRO [NH3+][C@H](CNc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000129323912 196039019 /nfs/dbraw/zinc/03/90/19/196039019.db2.gz NATFGJDZXPPJOM-SECBINFHSA-N 1 0 300.156 2.507 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000129822024 196078086 /nfs/dbraw/zinc/07/80/86/196078086.db2.gz WEXXKFGFKKJUAT-GFCCVEGCSA-N 1 0 323.393 2.756 20 5 DFBDRO Cc1c(C(=O)NCc2nccn2CC(C)C)cccc1[N+](=O)[O-] ZINC000131176122 196146512 /nfs/dbraw/zinc/14/65/12/196146512.db2.gz AJDXRTPUPSXYFO-UHFFFAOYSA-N 1 0 316.361 2.686 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132427814 196254815 /nfs/dbraw/zinc/25/48/15/196254815.db2.gz GJHLKYYVEDEFNU-AWEZNQCLSA-N 1 0 308.378 2.909 20 5 DFBDRO CCC[C@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000132926805 196297095 /nfs/dbraw/zinc/29/70/95/196297095.db2.gz AXDOMGQMHGMAIZ-GXTWGEPZSA-N 1 0 307.394 2.811 20 5 DFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000134273041 196375437 /nfs/dbraw/zinc/37/54/37/196375437.db2.gz WJCUIDJMIMJKSL-SNVBAGLBSA-N 1 0 315.167 2.578 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295576106 225005178 /nfs/dbraw/zinc/00/51/78/225005178.db2.gz BCAMYGNWFUKRJV-ZDUSSCGKSA-N 1 0 303.406 2.819 20 5 DFBDRO Cc1nc(NC[C@H](c2ccco2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296624220 226060867 /nfs/dbraw/zinc/06/08/67/226060867.db2.gz VCROHOQQKTZLQI-CYBMUJFWSA-N 1 0 317.349 2.535 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000290951676 222024076 /nfs/dbraw/zinc/02/40/76/222024076.db2.gz MSTOIAXDOKWAKT-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290901583 222006929 /nfs/dbraw/zinc/00/69/29/222006929.db2.gz VEMHHZGDIUNZPH-OLZOCXBDSA-N 1 0 322.409 2.684 20 5 DFBDRO Cn1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000291194000 222212081 /nfs/dbraw/zinc/21/20/81/222212081.db2.gz MIPILHPHADSNPH-UHFFFAOYSA-N 1 0 310.304 2.598 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000298177335 228396259 /nfs/dbraw/zinc/39/62/59/228396259.db2.gz WPYABRUVDHIAJO-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493871014 299845955 /nfs/dbraw/zinc/84/59/55/299845955.db2.gz ZXEUVNRHBDETSC-JXMROGBWSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000299641547 229293397 /nfs/dbraw/zinc/29/33/97/229293397.db2.gz NGKIOOBKJRYWEQ-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000301193330 229554118 /nfs/dbraw/zinc/55/41/18/229554118.db2.gz NARVAXPNCNYVSW-INIZCTEOSA-N 1 0 300.362 2.895 20 5 DFBDRO CSC[C@@H](CCO)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302208593 230164340 /nfs/dbraw/zinc/16/43/40/230164340.db2.gz XTAWXSHDVFAWSX-LLVKDONJSA-N 1 0 321.402 2.977 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000067235452 425909616 /nfs/dbraw/zinc/90/96/16/425909616.db2.gz GWZUDHKRYINNIX-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000068899374 425923062 /nfs/dbraw/zinc/92/30/62/425923062.db2.gz DJLHRSAOOPVVNK-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000068903466 425924448 /nfs/dbraw/zinc/92/44/48/425924448.db2.gz HXVYPUVYXPERHY-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000184403890 267773793 /nfs/dbraw/zinc/77/37/93/267773793.db2.gz ZMKNCXADPXJKCF-JTQLQIEISA-N 1 0 320.374 2.731 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000012670789 425734939 /nfs/dbraw/zinc/73/49/39/425734939.db2.gz MAQAAHDQKDFUJL-WDEREUQCSA-N 1 0 309.366 2.565 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010017704 425698222 /nfs/dbraw/zinc/69/82/22/425698222.db2.gz BOGCXIZIBIEKOQ-INIZCTEOSA-N 1 0 313.357 2.628 20 5 DFBDRO Cc1cccc(C(=O)NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000192720923 268045452 /nfs/dbraw/zinc/04/54/52/268045452.db2.gz IHFVMGBZOHMYQZ-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000193377170 268067212 /nfs/dbraw/zinc/06/72/12/268067212.db2.gz DYVLEAJAWHOMDA-UHFFFAOYSA-N 1 0 317.336 2.973 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000193487420 268070996 /nfs/dbraw/zinc/07/09/96/268070996.db2.gz ZMASXSPBCPEROE-OLZOCXBDSA-N 1 0 320.393 2.837 20 5 DFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195625045 268136843 /nfs/dbraw/zinc/13/68/43/268136843.db2.gz PHHOUFPXBBJDKU-MJBXVCDLSA-N 1 0 319.405 2.691 20 5 DFBDRO CC(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000236734025 268149211 /nfs/dbraw/zinc/14/92/11/268149211.db2.gz HZJQDCQLYDEYER-ZDUSSCGKSA-N 1 0 317.345 2.741 20 5 DFBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC000262744984 268169700 /nfs/dbraw/zinc/16/97/00/268169700.db2.gz FQDLVHCVQXPHSW-NEPJUHHUSA-N 1 0 319.405 2.715 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC)(CO)CC1 ZINC000270949819 268239433 /nfs/dbraw/zinc/23/94/33/268239433.db2.gz XDXXRTPXMJMSHJ-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000270992780 268245973 /nfs/dbraw/zinc/24/59/73/268245973.db2.gz XANUCBWYDNRRHC-LLVKDONJSA-N 1 0 323.368 2.536 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000278858174 268268425 /nfs/dbraw/zinc/26/84/25/268268425.db2.gz WCQWTEFLLQEBNB-SNVBAGLBSA-N 1 0 308.769 2.875 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)c2cccnc21 ZINC000317767478 268345401 /nfs/dbraw/zinc/34/54/01/268345401.db2.gz NQGJZBGHGWPVED-UHFFFAOYSA-N 1 0 301.346 2.912 20 5 DFBDRO C[C@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[S@](C)=O ZINC000332721902 268364038 /nfs/dbraw/zinc/36/40/38/268364038.db2.gz SAGUEJZOHDLRNC-OGXQQIFESA-N 1 0 310.419 2.719 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000049844115 425880503 /nfs/dbraw/zinc/88/05/03/425880503.db2.gz HZGDAPHECRDVRS-VIFPVBQESA-N 1 0 314.183 2.721 20 5 DFBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050445073 425881824 /nfs/dbraw/zinc/88/18/24/425881824.db2.gz DWASYWRVKXHHRY-UHFFFAOYSA-N 1 0 300.742 2.633 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107629174 425997549 /nfs/dbraw/zinc/99/75/49/425997549.db2.gz ZRTSHBUGMANULV-INIZCTEOSA-N 1 0 317.389 2.685 20 5 DFBDRO C[C@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000124996144 425948425 /nfs/dbraw/zinc/94/84/25/425948425.db2.gz NUJAEVXGICOGAU-NSHDSACASA-N 1 0 320.320 2.997 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000125229713 425960106 /nfs/dbraw/zinc/96/01/06/425960106.db2.gz ULOFIYDOXPKVCB-NSHDSACASA-N 1 0 314.432 2.542 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070070015 425967978 /nfs/dbraw/zinc/96/79/78/425967978.db2.gz SSBRSDZFQIGWEL-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000074333784 426046875 /nfs/dbraw/zinc/04/68/75/426046875.db2.gz FLZHDKZHMNVIKD-UHFFFAOYSA-N 1 0 307.394 2.834 20 5 DFBDRO CC[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127109473 426052125 /nfs/dbraw/zinc/05/21/25/426052125.db2.gz QWFUGKIFDKQHGW-ZDUSSCGKSA-N 1 0 305.378 2.680 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)(F)F)c(Cl)c1 ZINC000111638806 426055068 /nfs/dbraw/zinc/05/50/68/426055068.db2.gz RVWGCGQNFCXKJD-UHFFFAOYSA-N 1 0 312.675 2.917 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@H](CO)C3)o2)c1 ZINC000127230470 426057208 /nfs/dbraw/zinc/05/72/08/426057208.db2.gz QAZCCMQPDMHENY-LBPRGKRZSA-N 1 0 302.330 2.669 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076004347 426093051 /nfs/dbraw/zinc/09/30/51/426093051.db2.gz BCOHCDGSNYFBQP-OAHLLOKOSA-N 1 0 321.421 2.637 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC(C[NH+]2CCCC2)CC1 ZINC000112919369 426097576 /nfs/dbraw/zinc/09/75/76/426097576.db2.gz JYJSHNVSKOZZOG-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408429 426099325 /nfs/dbraw/zinc/09/93/25/426099325.db2.gz OGDREKATFGBTOE-SJORKVTESA-N 1 0 321.421 2.746 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113364882 426112983 /nfs/dbraw/zinc/11/29/83/426112983.db2.gz QQZWBGWDXDDWSC-CQSZACIVSA-N 1 0 320.393 2.981 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076487191 426113206 /nfs/dbraw/zinc/11/32/06/426113206.db2.gz OVKHTNVECVQARS-UKRRQHHQSA-N 1 0 319.405 2.706 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000077221011 426124081 /nfs/dbraw/zinc/12/40/81/426124081.db2.gz VKJKDSPZCRSRKW-UHFFFAOYSA-N 1 0 309.329 2.670 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000166441682 426127068 /nfs/dbraw/zinc/12/70/68/426127068.db2.gz STFMTPOOPPBNDW-UMVBOHGHSA-N 1 0 308.378 2.748 20 5 DFBDRO CCCCC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000077359304 426129489 /nfs/dbraw/zinc/12/94/89/426129489.db2.gz AZKSJFJVCMEDOM-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)[C@@H](C)CC ZINC000112379320 426075898 /nfs/dbraw/zinc/07/58/98/426075898.db2.gz QGVAGMBEPLCABV-BLLLJJGKSA-N 1 0 310.394 2.880 20 5 DFBDRO CCC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000112410069 426076517 /nfs/dbraw/zinc/07/65/17/426076517.db2.gz WVLDTUQHGIJVNQ-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](CC)CC(C)C)c([N+](=O)[O-])c1 ZINC000114725629 426143459 /nfs/dbraw/zinc/14/34/59/426143459.db2.gz PCHLLIPXIWEVLR-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1nccn1CCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000129964313 426144061 /nfs/dbraw/zinc/14/40/61/426144061.db2.gz TVRRJNULKOXQSF-UHFFFAOYSA-N 1 0 316.361 2.618 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000131167841 426163207 /nfs/dbraw/zinc/16/32/07/426163207.db2.gz WUJSOTQAMVMIPE-CYBMUJFWSA-N 1 0 319.405 2.846 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOCC23CCC3)cc1 ZINC000135531767 426221182 /nfs/dbraw/zinc/22/11/82/426221182.db2.gz DXKKOAKKEVUXDV-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081584865 426223968 /nfs/dbraw/zinc/22/39/68/426223968.db2.gz GBJSJGKPFJERPS-CYBMUJFWSA-N 1 0 309.385 2.898 20 5 DFBDRO C[C@@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173053275 426234311 /nfs/dbraw/zinc/23/43/11/426234311.db2.gz GLJDFKRDPRBSQR-WTNCMQEWSA-N 1 0 319.405 2.701 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000136304322 426238973 /nfs/dbraw/zinc/23/89/73/426238973.db2.gz XABUFBCCSYTMCM-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000151052124 426275105 /nfs/dbraw/zinc/27/51/05/426275105.db2.gz ZPSOIZGJMVQGTL-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087343213 426271487 /nfs/dbraw/zinc/27/14/87/426271487.db2.gz DIPPPPPUKCWYDC-MRXNPFEDSA-N 1 0 319.405 2.518 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC1CC1 ZINC000135253903 426211249 /nfs/dbraw/zinc/21/12/49/426211249.db2.gz HHCGCVPPHSVMPD-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000117344757 426212392 /nfs/dbraw/zinc/21/23/92/426212392.db2.gz BVTPJGIXGMOMMT-LBPRGKRZSA-N 1 0 305.378 2.706 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000175288403 426294885 /nfs/dbraw/zinc/29/48/85/426294885.db2.gz XQEYUPAIFVVMRQ-ZBFHGGJFSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000175357898 426299282 /nfs/dbraw/zinc/29/92/82/426299282.db2.gz VNNBXHMYBUECCW-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCn1ccnc1)C1CC1 ZINC000151112717 426277942 /nfs/dbraw/zinc/27/79/42/426277942.db2.gz HYRZKTUGIXNRQT-INIZCTEOSA-N 1 0 314.389 2.792 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119325698 426279408 /nfs/dbraw/zinc/27/94/08/426279408.db2.gz JNDLXLJNXNKYKT-KGLIPLIRSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000153662861 426397804 /nfs/dbraw/zinc/39/78/04/426397804.db2.gz BXFWIHIDFHYKGK-GXTWGEPZSA-N 1 0 320.393 2.753 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121445024 426343192 /nfs/dbraw/zinc/34/31/92/426343192.db2.gz HOBPPTAJBQJTNT-CHWSQXEVSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000176082385 426350286 /nfs/dbraw/zinc/35/02/86/426350286.db2.gz YXGIOJBTHHXFSJ-ZDUSSCGKSA-N 1 0 322.409 2.604 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccc(F)cc2)C2CC2)n1 ZINC000176197694 426359538 /nfs/dbraw/zinc/35/95/38/426359538.db2.gz SQLVHPCBROLEQP-UHFFFAOYSA-N 1 0 304.325 2.595 20 5 DFBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176235930 426363702 /nfs/dbraw/zinc/36/37/02/426363702.db2.gz HKJGORPTVLKLDG-SNVBAGLBSA-N 1 0 309.395 2.558 20 5 DFBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176250048 426364831 /nfs/dbraw/zinc/36/48/31/426364831.db2.gz DKBLPKCDYNRJPL-LSDHHAIUSA-N 1 0 314.389 2.978 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000122388891 426372323 /nfs/dbraw/zinc/37/23/23/426372323.db2.gz OFOMMKLHURREMA-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123298540 426425241 /nfs/dbraw/zinc/42/52/41/426425241.db2.gz DIDZDWUJYSNJDN-TZMCWYRMSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1sc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176931938 426426532 /nfs/dbraw/zinc/42/65/32/426426532.db2.gz XWNLXJVFEKTBGS-UHFFFAOYSA-N 1 0 320.374 2.674 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H](C)[NH2+]1 ZINC000154163604 426427789 /nfs/dbraw/zinc/42/77/89/426427789.db2.gz JVEOOKPSSHNQEY-VXGBXAGGSA-N 1 0 319.405 2.715 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177082384 426441877 /nfs/dbraw/zinc/44/18/77/426441877.db2.gz YDUWITMSPBEZLV-ZJUUUORDSA-N 1 0 323.780 2.603 20 5 DFBDRO O=C(NC1CC[NH+](C2CCCCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000177249438 426461041 /nfs/dbraw/zinc/46/10/41/426461041.db2.gz XLJIRVHSDGBPTD-UHFFFAOYSA-N 1 0 321.377 2.715 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000177303895 426465725 /nfs/dbraw/zinc/46/57/25/426465725.db2.gz OGJUCBNSHOFUKQ-CABCVRRESA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000124143676 426472819 /nfs/dbraw/zinc/47/28/19/426472819.db2.gz RVNQPTFBTWPUNY-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000098124396 426479745 /nfs/dbraw/zinc/47/97/45/426479745.db2.gz OBMREGFQLYZMOY-ZDUSSCGKSA-N 1 0 307.394 2.567 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H](C)[NH+](CC)CC ZINC000101591050 426485058 /nfs/dbraw/zinc/48/50/58/426485058.db2.gz FWIFFWUKCXSWMJ-CYBMUJFWSA-N 1 0 309.410 2.813 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000288762278 426528979 /nfs/dbraw/zinc/52/89/79/426528979.db2.gz IZPIQYYEDOPNKC-HNNXBMFYSA-N 1 0 302.330 2.670 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177846588 426530781 /nfs/dbraw/zinc/53/07/81/426530781.db2.gz BHODFJLEBQVEQR-HIFRSBDPSA-N 1 0 310.394 2.703 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000177846597 426531306 /nfs/dbraw/zinc/53/13/06/426531306.db2.gz BHODFJLEBQVEQR-ZFWWWQNUSA-N 1 0 310.394 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000177869998 426533057 /nfs/dbraw/zinc/53/30/57/426533057.db2.gz KAHTVVZBYJFVQW-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177874982 426533333 /nfs/dbraw/zinc/53/33/33/426533333.db2.gz JMKGHPNGYLRGID-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc(CC[NH+](C)C)cc1 ZINC000288809789 426535067 /nfs/dbraw/zinc/53/50/67/426535067.db2.gz HKBDKFKHCATQKB-UHFFFAOYSA-N 1 0 317.393 2.967 20 5 DFBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186503653 426541562 /nfs/dbraw/zinc/54/15/62/426541562.db2.gz SCNBIKVKRLFKQP-UUSSSYRCSA-N 1 0 308.378 2.971 20 5 DFBDRO CCc1ccc(C(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272522189 426547081 /nfs/dbraw/zinc/54/70/81/426547081.db2.gz HZKVJYWTIJJNAD-UHFFFAOYSA-N 1 0 319.405 2.619 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000194804929 426493045 /nfs/dbraw/zinc/49/30/45/426493045.db2.gz LYEGHJNNLWEJTA-QWHCGFSZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000194804889 426493477 /nfs/dbraw/zinc/49/34/77/426493477.db2.gz LYEGHJNNLWEJTA-OLZOCXBDSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177570473 426496920 /nfs/dbraw/zinc/49/69/20/426496920.db2.gz HIPWCFJYDCXSGT-OKILXGFUSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186279637 426499528 /nfs/dbraw/zinc/49/95/28/426499528.db2.gz OFVNSMKYSGEDRE-ZDUSSCGKSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)[N@H+](CC[C@@H]1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177658661 426501870 /nfs/dbraw/zinc/50/18/70/426501870.db2.gz KRBMDEGNKBFWHS-CQSZACIVSA-N 1 0 306.362 2.758 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186314626 426503733 /nfs/dbraw/zinc/50/37/33/426503733.db2.gz SWTBSHBHOVELQD-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccsc1)[NH+](C)C ZINC000280065208 426504041 /nfs/dbraw/zinc/50/40/41/426504041.db2.gz PDUNXAXCUGKBOQ-GFCCVEGCSA-N 1 0 323.422 2.896 20 5 DFBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1O ZINC000272832088 426575243 /nfs/dbraw/zinc/57/52/43/426575243.db2.gz LGQDRPKLGTUTNM-MEDUHNTESA-N 1 0 301.346 2.659 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178148539 426577308 /nfs/dbraw/zinc/57/73/08/426577308.db2.gz JXFOPIVNZRMANT-SKDRFNHKSA-N 1 0 319.386 2.667 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](CO)C[C@@H]1C ZINC000289112611 426585253 /nfs/dbraw/zinc/58/52/53/426585253.db2.gz WIFZZRRZGHDCBZ-KBPBESRZSA-N 1 0 322.405 2.975 20 5 DFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206630 426586461 /nfs/dbraw/zinc/58/64/61/426586461.db2.gz RXWPQRZLLVPYFT-RYUDHWBXSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@H](CC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000178401256 426621396 /nfs/dbraw/zinc/62/13/96/426621396.db2.gz BBYFETMUWHJYNP-CHWSQXEVSA-N 1 0 319.405 2.798 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280551122 426599019 /nfs/dbraw/zinc/59/90/19/426599019.db2.gz ASSAUBXDXUSFBV-CHWSQXEVSA-N 1 0 322.409 2.685 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000280381180 426562809 /nfs/dbraw/zinc/56/28/09/426562809.db2.gz UETVQQVWOAADSC-OSAQELSMSA-N 1 0 306.362 2.662 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000178464583 426634810 /nfs/dbraw/zinc/63/48/10/426634810.db2.gz DVWWGDWIQVOTCY-ZIAGYGMSSA-N 1 0 319.405 2.955 20 5 DFBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000273385120 426654443 /nfs/dbraw/zinc/65/44/43/426654443.db2.gz IXRFOZWZDAVPHW-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO CCC[C@@H](CC)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273412555 426659323 /nfs/dbraw/zinc/65/93/23/426659323.db2.gz ICNGKPDRAGOXSG-GFCCVEGCSA-N 1 0 314.407 2.537 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273505967 426675997 /nfs/dbraw/zinc/67/59/97/426675997.db2.gz WDTFPUVQKHGWBL-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000273248227 426626466 /nfs/dbraw/zinc/62/64/66/426626466.db2.gz GPZFZSSJOIYBKV-ZFWWWQNUSA-N 1 0 322.405 2.832 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@@](C)=O)cc1 ZINC000178427388 426626645 /nfs/dbraw/zinc/62/66/45/426626645.db2.gz PMEHSEILZVPKEE-JOCHJYFZSA-N 1 0 318.398 2.964 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000290086816 426690426 /nfs/dbraw/zinc/69/04/26/426690426.db2.gz WMUKFWFRFZCFLX-JGGQBBKZSA-N 1 0 319.405 2.715 20 5 DFBDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290092908 426691266 /nfs/dbraw/zinc/69/12/66/426691266.db2.gz WZYSJEKGDUCCLV-JKSUJKDBSA-N 1 0 319.405 2.720 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265777983 426688549 /nfs/dbraw/zinc/68/85/49/426688549.db2.gz JINHONHDKRXBFT-UHFFFAOYSA-N 1 0 321.421 2.719 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000178838390 426705822 /nfs/dbraw/zinc/70/58/22/426705822.db2.gz WMDKANXMKZBVJS-SNVBAGLBSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1ncsc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861736 426709371 /nfs/dbraw/zinc/70/93/71/426709371.db2.gz ZKPKIMSRALTKMJ-ZDUSSCGKSA-N 1 0 307.375 2.525 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000280974127 426698875 /nfs/dbraw/zinc/69/88/75/426698875.db2.gz LOCALDUHRSHIBI-AWEZNQCLSA-N 1 0 319.405 2.906 20 5 DFBDRO COc1ncccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290131387 426699233 /nfs/dbraw/zinc/69/92/33/426699233.db2.gz KAAYMXQRTCWMKP-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000274457537 426771071 /nfs/dbraw/zinc/77/10/71/426771071.db2.gz JLVDVJHHJVVTNH-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266796093 426780025 /nfs/dbraw/zinc/78/00/25/426780025.db2.gz QNWOKYDVAJWZKS-SUMWQHHRSA-N 1 0 300.358 2.849 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266831888 426786166 /nfs/dbraw/zinc/78/61/66/426786166.db2.gz DWGQTOSDJACMNT-LKSINWNRSA-N 1 0 305.378 2.550 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266564292 426740328 /nfs/dbraw/zinc/74/03/28/426740328.db2.gz ZCLFKSUXEZPFFW-JSGCOSHPSA-N 1 0 318.373 2.931 20 5 DFBDRO CC(C)(C)[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290372780 426752122 /nfs/dbraw/zinc/75/21/22/426752122.db2.gz RJDCZSWIZRUAPS-MRXNPFEDSA-N 1 0 322.405 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000245618166 426758133 /nfs/dbraw/zinc/75/81/33/426758133.db2.gz MTGXSJGDAQMSCT-ARFHVFGLSA-N 1 0 302.374 2.685 20 5 DFBDRO CCOc1cccc(N(C)CC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000188516482 426759975 /nfs/dbraw/zinc/75/99/75/426759975.db2.gz CDKLFRWNUCWGMH-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO C[C@](C[NH3+])(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000179175571 426763151 /nfs/dbraw/zinc/76/31/51/426763151.db2.gz HVAFCYWXOUHFFM-OAHLLOKOSA-N 1 0 319.386 2.667 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266951727 426802863 /nfs/dbraw/zinc/80/28/63/426802863.db2.gz ULIYZOBBYMDWSQ-GFCCVEGCSA-N 1 0 316.361 2.706 20 5 DFBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000246158326 426805964 /nfs/dbraw/zinc/80/59/64/426805964.db2.gz NLZKOJYJHFKRMB-TYNCELHUSA-N 1 0 317.389 2.847 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000290635120 426808203 /nfs/dbraw/zinc/80/82/03/426808203.db2.gz HJIZUGSPZPVEBT-LLVKDONJSA-N 1 0 320.393 2.620 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000267046715 426815664 /nfs/dbraw/zinc/81/56/64/426815664.db2.gz FHNFUSWTAASAMO-ZDUSSCGKSA-N 1 0 320.780 2.934 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267061552 426817957 /nfs/dbraw/zinc/81/79/57/426817957.db2.gz TZADWHAOXAHXIW-ZDUSSCGKSA-N 1 0 309.385 2.898 20 5 DFBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000290776395 426836544 /nfs/dbraw/zinc/83/65/44/426836544.db2.gz CPJUENGMOFJUGM-OAHLLOKOSA-N 1 0 300.362 2.855 20 5 DFBDRO CO[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000189312880 426840640 /nfs/dbraw/zinc/84/06/40/426840640.db2.gz ZLRDMAOZEWSQLX-BBRMVZONSA-N 1 0 308.378 2.721 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246584556 426846516 /nfs/dbraw/zinc/84/65/16/426846516.db2.gz GFOKWCXFRSTXPX-RYUDHWBXSA-N 1 0 305.378 2.562 20 5 DFBDRO Cc1cc(N2CCC(OCCC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000267205088 426846655 /nfs/dbraw/zinc/84/66/55/426846655.db2.gz PHFSLEPNPSAEGT-UHFFFAOYSA-N 1 0 321.421 2.840 20 5 DFBDRO CCC1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000295169825 426849384 /nfs/dbraw/zinc/84/93/84/426849384.db2.gz GMYUVMAPDNBAAC-CQSZACIVSA-N 1 0 308.378 2.647 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000295186955 426852913 /nfs/dbraw/zinc/85/29/13/426852913.db2.gz IJAGONFYULPOKB-CYBMUJFWSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246840742 426870137 /nfs/dbraw/zinc/87/01/37/426870137.db2.gz PZESXISEBGTAFS-JSGCOSHPSA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1sc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295243428 426875577 /nfs/dbraw/zinc/87/55/77/426875577.db2.gz DESHAPRRFPBFLF-JTQLQIEISA-N 1 0 323.418 2.521 20 5 DFBDRO CCC[C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415199 426906877 /nfs/dbraw/zinc/90/68/77/426906877.db2.gz IVXCKOMCAJPJLS-KGLIPLIRSA-N 1 0 321.421 2.762 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@@H]1O ZINC000181485278 426953854 /nfs/dbraw/zinc/95/38/54/426953854.db2.gz AALVADJZUXQKEY-PBHICJAKSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000283117234 426956223 /nfs/dbraw/zinc/95/62/23/426956223.db2.gz YPPXWUPKMORCJR-AWEZNQCLSA-N 1 0 300.362 2.804 20 5 DFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247957170 426968941 /nfs/dbraw/zinc/96/89/41/426968941.db2.gz FSKICOGHTAKQEF-XGWLTEMNSA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283271972 426986431 /nfs/dbraw/zinc/98/64/31/426986431.db2.gz LILMUYGOZNISNF-NWDGAFQWSA-N 1 0 323.418 2.749 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283311748 426993008 /nfs/dbraw/zinc/99/30/08/426993008.db2.gz ZBNPRICKRPXDNM-ZJUUUORDSA-N 1 0 314.769 2.926 20 5 DFBDRO COCCO[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000189733396 426935965 /nfs/dbraw/zinc/93/59/65/426935965.db2.gz PKZVRGLIXJOCTM-HIFRSBDPSA-N 1 0 308.378 2.702 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000275885918 426940466 /nfs/dbraw/zinc/94/04/66/426940466.db2.gz PZBTVEWOHHGLCO-AWEZNQCLSA-N 1 0 308.378 2.898 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268189672 426941459 /nfs/dbraw/zinc/94/14/59/426941459.db2.gz DUBOZKYPHHKXFI-IAQYHMDHSA-N 1 0 305.378 2.938 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)C1CCC1 ZINC000275887142 426942057 /nfs/dbraw/zinc/94/20/57/426942057.db2.gz RNWCIXFLZNNYJU-UHFFFAOYSA-N 1 0 308.378 2.729 20 5 DFBDRO CCC[C@@H]([NH2+]CCCn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000181980822 427003471 /nfs/dbraw/zinc/00/34/71/427003471.db2.gz MNBOEFGIQHATQM-OAHLLOKOSA-N 1 0 303.366 2.707 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000182206357 427028481 /nfs/dbraw/zinc/02/84/81/427028481.db2.gz OKRCTNXARQCCKY-GXTWGEPZSA-N 1 0 309.797 2.917 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248665452 427030563 /nfs/dbraw/zinc/03/05/63/427030563.db2.gz MBQGBZQJSZFGIH-IUODEOHRSA-N 1 0 317.389 2.848 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268523167 427041311 /nfs/dbraw/zinc/04/13/11/427041311.db2.gz XGBRPNNQJQHSRY-CQSZACIVSA-N 1 0 315.377 2.709 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000276358669 427046115 /nfs/dbraw/zinc/04/61/15/427046115.db2.gz LTCZSASKVFZXOM-UHFFFAOYSA-N 1 0 321.421 2.636 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000248963001 427067670 /nfs/dbraw/zinc/06/76/70/427067670.db2.gz CETNYJYNQPEEBO-NWDGAFQWSA-N 1 0 323.418 2.607 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000276445304 427070156 /nfs/dbraw/zinc/07/01/56/427070156.db2.gz LUVYNVZEHRJRLT-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249004836 427075461 /nfs/dbraw/zinc/07/54/61/427075461.db2.gz SHMHMWYVNQSVIO-DOMZBBRYSA-N 1 0 320.393 2.753 20 5 DFBDRO C[C@@H]1[C@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130600 427086903 /nfs/dbraw/zinc/08/69/03/427086903.db2.gz JCIFTZJCZKVDHJ-NOZJJQNGSA-N 1 0 318.295 2.959 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276530979 427093067 /nfs/dbraw/zinc/09/30/67/427093067.db2.gz BWZXMJIFQVHMMV-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276546912 427096669 /nfs/dbraw/zinc/09/66/69/427096669.db2.gz DVGLXBAYXPIRFR-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182562347 427098740 /nfs/dbraw/zinc/09/87/40/427098740.db2.gz IADJIPZEVBNDMQ-NEPJUHHUSA-N 1 0 322.386 2.747 20 5 DFBDRO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276557569 427099084 /nfs/dbraw/zinc/09/90/84/427099084.db2.gz SJVLWYTYWOZQTG-MRXNPFEDSA-N 1 0 317.389 2.570 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000268728113 427102591 /nfs/dbraw/zinc/10/25/91/427102591.db2.gz WXXDNLONZOONRW-OAHLLOKOSA-N 1 0 313.357 2.952 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967520 427107622 /nfs/dbraw/zinc/10/76/22/427107622.db2.gz GLKCFQHVVTWXEE-QLJPJBMISA-N 1 0 319.336 2.700 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000182603486 427109202 /nfs/dbraw/zinc/10/92/02/427109202.db2.gz NBLCZGUXPTUGQW-STQMWFEESA-N 1 0 320.345 2.587 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000249380407 427109919 /nfs/dbraw/zinc/10/99/19/427109919.db2.gz QFYYPGLIKXBLTE-ZCDTZLGTSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000190435043 427110060 /nfs/dbraw/zinc/11/00/60/427110060.db2.gz CETNYJYNQPEEBO-NEPJUHHUSA-N 1 0 323.418 2.607 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000296198809 427110016 /nfs/dbraw/zinc/11/00/16/427110016.db2.gz WABSGOKIRZPWFL-QCZZGDTMSA-N 1 0 323.349 2.652 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000284040464 427123406 /nfs/dbraw/zinc/12/34/06/427123406.db2.gz JTNSJPONQCGSGC-VHSXEESVSA-N 1 0 303.366 2.631 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000292212455 427134823 /nfs/dbraw/zinc/13/48/23/427134823.db2.gz ZCIKICWJSMJRMK-OCCSQVGLSA-N 1 0 305.378 2.613 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)CCCC[NH3+])c1 ZINC000292223945 427137512 /nfs/dbraw/zinc/13/75/12/427137512.db2.gz ZXROOCHROGIUNP-JTQLQIEISA-N 1 0 311.407 2.564 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)C1 ZINC000292222420 427138642 /nfs/dbraw/zinc/13/86/42/427138642.db2.gz IGGSOLQMVGJJMS-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1cc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000182766125 427141224 /nfs/dbraw/zinc/14/12/24/427141224.db2.gz YKPQDRJWSXSKEX-UONOGXRCSA-N 1 0 318.377 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000182820944 427152617 /nfs/dbraw/zinc/15/26/17/427152617.db2.gz SYHKHXUWWDXHNZ-CHWSQXEVSA-N 1 0 305.378 2.552 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000296389349 427163653 /nfs/dbraw/zinc/16/36/53/427163653.db2.gz UFIKPQXPLJQKMX-DAXOMENPSA-N 1 0 318.373 2.521 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189860162 271206564 /nfs/dbraw/zinc/20/65/64/271206564.db2.gz XRXMUPYBYPPGHD-RYUDHWBXSA-N 1 0 306.284 2.949 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)C[C@H]2C1 ZINC000278825456 271320112 /nfs/dbraw/zinc/32/01/12/271320112.db2.gz UIKMBSSZDJWALA-AOOOYVTPSA-N 1 0 315.295 2.611 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)s1 ZINC000182974631 427176373 /nfs/dbraw/zinc/17/63/73/427176373.db2.gz WGYJYEVBJBCSPE-MRVPVSSYSA-N 1 0 300.771 2.857 20 5 DFBDRO Cc1nc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292334362 427178358 /nfs/dbraw/zinc/17/83/58/427178358.db2.gz PPAFSSJAMSSBAQ-GFCCVEGCSA-N 1 0 304.394 2.609 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000183089315 427195573 /nfs/dbraw/zinc/19/55/73/427195573.db2.gz REUIGCBXTCNVQF-NWDGAFQWSA-N 1 0 323.393 2.956 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000269507196 427213122 /nfs/dbraw/zinc/21/31/22/427213122.db2.gz ZMRRPMNTFDSAQS-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO C[C@H](CCNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183157967 427213125 /nfs/dbraw/zinc/21/31/25/427213125.db2.gz OXEQOPPLLDJWRG-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000285408690 427223557 /nfs/dbraw/zinc/22/35/57/427223557.db2.gz FTKGNRZNAPNBSG-KRWDZBQOSA-N 1 0 300.358 2.980 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296789942 427235023 /nfs/dbraw/zinc/23/50/23/427235023.db2.gz SSMQUDCZOYRKLM-FZMZJTMJSA-N 1 0 304.346 2.731 20 5 DFBDRO COc1ccc(CN(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000330420323 427236074 /nfs/dbraw/zinc/23/60/74/427236074.db2.gz PTWQXWGSINMCLE-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338301139 427245726 /nfs/dbraw/zinc/24/57/26/427245726.db2.gz GHNGLOBFRUOTHQ-VHSXEESVSA-N 1 0 314.769 2.926 20 5 DFBDRO COc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285489298 427245939 /nfs/dbraw/zinc/24/59/39/427245939.db2.gz IMPBVFJZRIIIHR-UKRRQHHQSA-N 1 0 319.405 2.662 20 5 DFBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667489 427246422 /nfs/dbraw/zinc/24/64/22/427246422.db2.gz SVBSSTQUJOMCHS-OAHLLOKOSA-N 1 0 323.780 2.752 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277597170 427255582 /nfs/dbraw/zinc/25/55/82/427255582.db2.gz TUDRIAKPAYSKPL-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000183393993 427260733 /nfs/dbraw/zinc/26/07/33/427260733.db2.gz QUZXSVTZDUESDL-WBVHZDCISA-N 1 0 303.406 2.819 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255378379 427263563 /nfs/dbraw/zinc/26/35/63/427263563.db2.gz CKKYCTXFFDSCDN-KVPUOBJLSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285589242 427283353 /nfs/dbraw/zinc/28/33/53/427283353.db2.gz BEHIBDNBXYAFBM-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191296387 427310381 /nfs/dbraw/zinc/31/03/81/427310381.db2.gz BDRXPXIIEUXKEW-UKRRQHHQSA-N 1 0 308.378 2.503 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000270190880 427321225 /nfs/dbraw/zinc/32/12/25/427321225.db2.gz OQVQFQCGDXAORX-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccc(F)cc1 ZINC000293435133 427323679 /nfs/dbraw/zinc/32/36/79/427323679.db2.gz JOLZNXBSZVLCMA-INIZCTEOSA-N 1 0 318.348 2.769 20 5 DFBDRO CCc1nocc1CN(C)CCOc1cccc([N+](=O)[O-])c1 ZINC000293452472 427329252 /nfs/dbraw/zinc/32/92/52/427329252.db2.gz PLYVRYNAKAVMBB-UHFFFAOYSA-N 1 0 305.334 2.656 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277833295 427334868 /nfs/dbraw/zinc/33/48/68/427334868.db2.gz ZMJZNQNOTLCRNV-ZDUSSCGKSA-N 1 0 323.393 2.516 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]21 ZINC000261860075 427344459 /nfs/dbraw/zinc/34/44/59/427344459.db2.gz KHRQFNNZIQHJRL-FPMFFAJLSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCN(c3ccccn3)CC2)c1 ZINC000183811305 427345378 /nfs/dbraw/zinc/34/53/78/427345378.db2.gz LJJDKWFOQUJRQC-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285610615 427288783 /nfs/dbraw/zinc/28/87/83/427288783.db2.gz VTWXRYWBSOTBOG-MZBDJJRSSA-N 1 0 319.405 2.531 20 5 DFBDRO C[NH+](C)[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000277708727 427291589 /nfs/dbraw/zinc/29/15/89/427291589.db2.gz GAEKPWRERMVEQL-ZDUSSCGKSA-N 1 0 315.333 2.779 20 5 DFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000191245522 427297385 /nfs/dbraw/zinc/29/73/85/427297385.db2.gz PPWSQWSTWPRSOC-UHFFFAOYSA-N 1 0 315.373 2.681 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262888687 427376741 /nfs/dbraw/zinc/37/67/41/427376741.db2.gz OKVXUOKQXRCFFB-YPMHNXCESA-N 1 0 319.405 2.763 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](O)C2)s1 ZINC000271043235 427386068 /nfs/dbraw/zinc/38/60/68/427386068.db2.gz OLIDQYKCADFREZ-LLVKDONJSA-N 1 0 304.371 2.890 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000286048575 427410159 /nfs/dbraw/zinc/41/01/59/427410159.db2.gz HRCBXEFVIWWRSX-UHFFFAOYSA-N 1 0 303.362 2.836 20 5 DFBDRO COc1cc(CN2CCSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184220048 427419648 /nfs/dbraw/zinc/41/96/48/427419648.db2.gz UHAYRTIMEYTMKD-SECBINFHSA-N 1 0 300.355 2.680 20 5 DFBDRO COc1cc(CN2CCS[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000184200364 427414275 /nfs/dbraw/zinc/41/42/75/427414275.db2.gz YSTKFTLQFTUBRM-SECBINFHSA-N 1 0 300.355 2.680 20 5 DFBDRO CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)C(C)(C)C[NH+]1CCCCCC1 ZINC000331470029 427418175 /nfs/dbraw/zinc/41/81/75/427418175.db2.gz IDOUSODQXXBXJR-UHFFFAOYSA-N 1 0 322.409 2.650 20 5 DFBDRO COc1ccc(CN(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000270472970 427361119 /nfs/dbraw/zinc/36/11/19/427361119.db2.gz CHKBWMHTSQDKGI-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO Cn1cc([C@@H]2CSCCN2Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000191743003 427418276 /nfs/dbraw/zinc/41/82/76/427418276.db2.gz OTVJLDWZSAKGNI-HNNXBMFYSA-N 1 0 318.402 2.618 20 5 DFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331191053 427366700 /nfs/dbraw/zinc/36/67/00/427366700.db2.gz QYBAOYSIYAFJLC-STQMWFEESA-N 1 0 319.405 2.819 20 5 DFBDRO CCOc1cc(CN2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000331195911 427367417 /nfs/dbraw/zinc/36/74/17/427367417.db2.gz YHAIULXXPUHJNM-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[N@H+](CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(C)C ZINC000338722607 427454211 /nfs/dbraw/zinc/45/42/11/427454211.db2.gz SZKQWIAYIPJRHG-UHFFFAOYSA-N 1 0 320.393 2.622 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000184405850 427454776 /nfs/dbraw/zinc/45/47/76/427454776.db2.gz NSGFEHUULPRKKU-TZMCWYRMSA-N 1 0 312.341 2.790 20 5 DFBDRO C[C@@H]1CCSCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286208337 427455573 /nfs/dbraw/zinc/45/55/73/427455573.db2.gz QKZXQVNGOGKBBX-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCCCC[NH+]1CCCC1 ZINC000338754050 427469484 /nfs/dbraw/zinc/46/94/84/427469484.db2.gz DQYTXKQAPLIUHH-UHFFFAOYSA-N 1 0 309.414 2.798 20 5 DFBDRO CC[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000338767073 427474584 /nfs/dbraw/zinc/47/45/84/427474584.db2.gz MRMYZAMADWVKNF-UHFFFAOYSA-N 1 0 319.361 2.801 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CO)CCC1)C1CC1 ZINC000184522098 427479945 /nfs/dbraw/zinc/47/99/45/427479945.db2.gz KUTNWHJGNZADQW-OAHLLOKOSA-N 1 0 304.390 2.668 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CO)CCC1)C1CC1 ZINC000184522080 427480403 /nfs/dbraw/zinc/48/04/03/427480403.db2.gz KUTNWHJGNZADQW-HNNXBMFYSA-N 1 0 304.390 2.668 20 5 DFBDRO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000286307702 427486177 /nfs/dbraw/zinc/48/61/77/427486177.db2.gz JYDKMVMONXQIIL-VXGBXAGGSA-N 1 0 323.368 2.806 20 5 DFBDRO CCOC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000286083147 427421940 /nfs/dbraw/zinc/42/19/40/427421940.db2.gz KDSORYJSFHSTOW-CYBMUJFWSA-N 1 0 307.350 2.887 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)C ZINC000297923612 427487249 /nfs/dbraw/zinc/48/72/49/427487249.db2.gz QQDYFQIGTGIHAD-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000271183209 427436501 /nfs/dbraw/zinc/43/65/01/427436501.db2.gz IHEVJANRHDSESA-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO CS[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000338697526 427442702 /nfs/dbraw/zinc/44/27/02/427442702.db2.gz FKKURVGBOVIMQB-CABCVRRESA-N 1 0 321.446 2.919 20 5 DFBDRO Cc1c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000286179646 427446810 /nfs/dbraw/zinc/44/68/10/427446810.db2.gz KXJSFFCMHRHCIR-PBWFPOADSA-N 1 0 317.389 2.600 20 5 DFBDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000338791058 427491490 /nfs/dbraw/zinc/49/14/90/427491490.db2.gz LAEFSXRSQYQYON-WOPDTQHZSA-N 1 0 310.423 2.759 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000293919658 427491667 /nfs/dbraw/zinc/49/16/67/427491667.db2.gz LUSPIWPMFPMHJQ-UHFFFAOYSA-N 1 0 305.378 2.591 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338794444 427492794 /nfs/dbraw/zinc/49/27/94/427492794.db2.gz POXCSCIOANNZCG-FZMZJTMJSA-N 1 0 305.378 2.611 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332055411 427499569 /nfs/dbraw/zinc/49/95/69/427499569.db2.gz OKKYPFXSHGIZDF-CYBMUJFWSA-N 1 0 317.389 2.748 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349364 427503729 /nfs/dbraw/zinc/50/37/29/427503729.db2.gz SMOCFFPHFVHEQD-SECBINFHSA-N 1 0 301.293 2.560 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCn1ccnc1C ZINC000263651899 427529967 /nfs/dbraw/zinc/52/99/67/427529967.db2.gz DJFTUXWTPJNCSQ-UHFFFAOYSA-N 1 0 318.377 2.678 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286445913 427530747 /nfs/dbraw/zinc/53/07/47/427530747.db2.gz SWUMDVJKUCYXEQ-DGCLKSJQSA-N 1 0 320.349 2.566 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286461705 427533333 /nfs/dbraw/zinc/53/33/33/427533333.db2.gz VADRQTTXMHSKBN-JQWIXIFHSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286461703 427534046 /nfs/dbraw/zinc/53/40/46/427534046.db2.gz VADRQTTXMHSKBN-CMPLNLGQSA-N 1 0 310.785 2.706 20 5 DFBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286665590 427538618 /nfs/dbraw/zinc/53/86/18/427538618.db2.gz BCMUAXYAWAOTMO-CQSZACIVSA-N 1 0 321.377 2.614 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000338894738 427545106 /nfs/dbraw/zinc/54/51/06/427545106.db2.gz JNOUZLGZIZOSKZ-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO C[C@@]12CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298449285 427612844 /nfs/dbraw/zinc/61/28/44/427612844.db2.gz ZPEVMENWQIXHDI-UONOGXRCSA-N 1 0 312.316 2.951 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000192826514 427619070 /nfs/dbraw/zinc/61/90/70/427619070.db2.gz RVARZTJOOWNABM-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332247601 427558966 /nfs/dbraw/zinc/55/89/66/427558966.db2.gz BOOTVTGMJUNYAI-ZDUSSCGKSA-N 1 0 318.352 2.847 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000271497605 427560311 /nfs/dbraw/zinc/56/03/11/427560311.db2.gz LQUWEVWEMZQXKR-ZWNOBZJWSA-N 1 0 320.311 2.819 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc([C@H]3CCCN3C3CC3)n2)c1 ZINC000279113735 427563069 /nfs/dbraw/zinc/56/30/69/427563069.db2.gz YVIOIRXODCACEN-CYBMUJFWSA-N 1 0 300.318 2.944 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192553817 427563537 /nfs/dbraw/zinc/56/35/37/427563537.db2.gz JKJVVZZEHYHXEB-ZDUSSCGKSA-N 1 0 318.402 2.985 20 5 DFBDRO C[C@H](C[S@](C)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124640 427567921 /nfs/dbraw/zinc/56/79/21/427567921.db2.gz QJUVDTOGTCJCSR-CRPSJPEGSA-N 1 0 310.419 2.674 20 5 DFBDRO C[C@]12CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298317252 427568807 /nfs/dbraw/zinc/56/88/07/427568807.db2.gz QPPBAIFVOPUXLX-MJBXVCDLSA-N 1 0 312.316 2.605 20 5 DFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263787885 427570110 /nfs/dbraw/zinc/57/01/10/427570110.db2.gz WRYGWIURLXGYMG-CQSZACIVSA-N 1 0 319.405 2.723 20 5 DFBDRO Nc1ccc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000287323590 427578193 /nfs/dbraw/zinc/57/81/93/427578193.db2.gz NWHYBKLESQFKPA-UHFFFAOYSA-N 1 0 304.394 2.632 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCc1cnccn1)C1CC1 ZINC000341872659 271916582 /nfs/dbraw/zinc/91/65/82/271916582.db2.gz HBRYBLPZCYHYQE-MRXNPFEDSA-N 1 0 312.373 2.538 20 5 DFBDRO CCCn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000338954077 427588480 /nfs/dbraw/zinc/58/84/80/427588480.db2.gz HZLAFXLTLZCQJH-UHFFFAOYSA-N 1 0 302.378 2.876 20 5 DFBDRO COc1cccc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185097072 427594091 /nfs/dbraw/zinc/59/40/91/427594091.db2.gz XGPSLPUKZJHRNA-LBPRGKRZSA-N 1 0 305.334 2.911 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279204363 427594672 /nfs/dbraw/zinc/59/46/72/427594672.db2.gz GJPROBARONTEMR-ZWNOBZJWSA-N 1 0 302.334 2.923 20 5 DFBDRO C[C@H]1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332407541 427605014 /nfs/dbraw/zinc/60/50/14/427605014.db2.gz YWZZENBDPGLBRA-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000279235117 427605952 /nfs/dbraw/zinc/60/59/52/427605952.db2.gz JMXSBQCZODWPQV-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCCCO)cs2)c1 ZINC000192900728 427633323 /nfs/dbraw/zinc/63/33/23/427633323.db2.gz MTBKOIHADADGDC-UHFFFAOYSA-N 1 0 321.402 2.971 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287572600 427644314 /nfs/dbraw/zinc/64/43/14/427644314.db2.gz GXIMRLMSQOAKBQ-WCQYABFASA-N 1 0 318.295 2.837 20 5 DFBDRO C[C@@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000287630095 427658253 /nfs/dbraw/zinc/65/82/53/427658253.db2.gz FSFXZMLQEQKBBE-NSHDSACASA-N 1 0 323.349 2.628 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342692484 272042802 /nfs/dbraw/zinc/04/28/02/272042802.db2.gz DIQICSNJGIUDGV-GJZGRUSLSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295014468 427669620 /nfs/dbraw/zinc/66/96/20/427669620.db2.gz UDXKRSWQJLOUOM-SNVBAGLBSA-N 1 0 310.785 2.564 20 5 DFBDRO CC(C)[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339081598 427667576 /nfs/dbraw/zinc/66/75/76/427667576.db2.gz OTEYQOFPGTYRFO-LBPRGKRZSA-N 1 0 306.284 2.720 20 5 DFBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343408688 272140114 /nfs/dbraw/zinc/14/01/14/272140114.db2.gz ZMKCHHWFBFPLAT-INIZCTEOSA-N 1 0 308.378 2.768 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(=O)N1CCCC1 ZINC000343470775 272155122 /nfs/dbraw/zinc/15/51/22/272155122.db2.gz YGAQGVQMNMGQMB-UONOGXRCSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)cc1 ZINC000343562362 272171497 /nfs/dbraw/zinc/17/14/97/272171497.db2.gz KIGJNGZQALEESI-OAHLLOKOSA-N 1 0 316.361 2.578 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000343600659 272180970 /nfs/dbraw/zinc/18/09/70/272180970.db2.gz DZLPEZUSQBXBNX-KBPBESRZSA-N 1 0 304.394 2.670 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000343636377 272189909 /nfs/dbraw/zinc/18/99/09/272189909.db2.gz AZOVJTUMXQIJIM-MRXNPFEDSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916970 272237169 /nfs/dbraw/zinc/23/71/69/272237169.db2.gz GXZZULDQEWFXAQ-RHSMWYFYSA-N 1 0 303.406 2.696 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344123062 272268702 /nfs/dbraw/zinc/26/87/02/272268702.db2.gz GKWQRDRSCCWCBB-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCC(C(F)(F)F)CC1 ZINC000344152469 272275696 /nfs/dbraw/zinc/27/56/96/272275696.db2.gz UERSSSUKIAYJBZ-UHFFFAOYSA-N 1 0 320.315 2.844 20 5 DFBDRO CC[C@@]1(C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000344223518 272290536 /nfs/dbraw/zinc/29/05/36/272290536.db2.gz WANYMQUONUGECW-KRWDZBQOSA-N 1 0 317.389 2.606 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344422696 272329796 /nfs/dbraw/zinc/32/97/96/272329796.db2.gz RFVJGZIVSBPFHL-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000344791577 272370162 /nfs/dbraw/zinc/37/01/62/272370162.db2.gz JBOVDWOOQMETOU-JTQLQIEISA-N 1 0 316.304 2.977 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000344861232 272378968 /nfs/dbraw/zinc/37/89/68/272378968.db2.gz JVWDCLMITXCEFP-LPYTZGJOSA-N 1 0 317.389 2.597 20 5 DFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677215 427687881 /nfs/dbraw/zinc/68/78/81/427687881.db2.gz KAGOUMPWENKCNS-IAQYHMDHSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287778617 427689107 /nfs/dbraw/zinc/68/91/07/427689107.db2.gz RZYIWILPGAPYMW-WCQYABFASA-N 1 0 318.295 2.837 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000298726794 427689362 /nfs/dbraw/zinc/68/93/62/427689362.db2.gz BIBBFNLIOWLCLB-KGLIPLIRSA-N 1 0 319.405 2.955 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000193451545 427691906 /nfs/dbraw/zinc/69/19/06/427691906.db2.gz WYPBBQYUPQJNJZ-AWEZNQCLSA-N 1 0 304.394 2.632 20 5 DFBDRO CC[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000298757219 427698335 /nfs/dbraw/zinc/69/83/35/427698335.db2.gz XAPWVLWHXCKTFY-UHFFFAOYSA-N 1 0 317.345 2.555 20 5 DFBDRO C[N@@H+](Cc1cccs1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298775919 427703340 /nfs/dbraw/zinc/70/33/40/427703340.db2.gz ZHAYJEGDAHDPAI-GFCCVEGCSA-N 1 0 322.386 2.528 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000272340500 427714239 /nfs/dbraw/zinc/71/42/39/427714239.db2.gz WVQWXGOTWNBVOS-ZJUUUORDSA-N 1 0 319.386 2.619 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cc1 ZINC000299151980 427756129 /nfs/dbraw/zinc/75/61/29/427756129.db2.gz GEIHILFRBKDNRS-OAHLLOKOSA-N 1 0 318.348 2.675 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299311023 427764819 /nfs/dbraw/zinc/76/48/19/427764819.db2.gz BRZSADFRUVTETP-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301063129 427772974 /nfs/dbraw/zinc/77/29/74/427772974.db2.gz CEOPXHJLJBTPQB-NSHDSACASA-N 1 0 308.338 2.647 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H](O)C[NH+]1CCCCC1 ZINC000301085175 427774466 /nfs/dbraw/zinc/77/44/66/427774466.db2.gz HSXPYIFIAILMFZ-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301211272 427782179 /nfs/dbraw/zinc/78/21/79/427782179.db2.gz VBZZLDCFVIOTGG-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(=O)c1cc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000288025479 427729733 /nfs/dbraw/zinc/72/97/33/427729733.db2.gz WRWRGJGYIVMUAD-ABAIWWIYSA-N 1 0 305.378 2.938 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000194424802 427742491 /nfs/dbraw/zinc/74/24/91/427742491.db2.gz PVSIGTAMHFYAKR-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[C@H](C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)[NH+](C)C ZINC000299044715 427743529 /nfs/dbraw/zinc/74/35/29/427743529.db2.gz UIPCLKDVGGLLOU-OAHLLOKOSA-N 1 0 307.394 2.672 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC000337348633 427857433 /nfs/dbraw/zinc/85/74/33/427857433.db2.gz ZFZZUUXCJADFRL-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cnc(N(C)CC[N@H+](C)C2CCCCC2)c([N+](=O)[O-])c1 ZINC000301465235 427797706 /nfs/dbraw/zinc/79/77/06/427797706.db2.gz WXABOVFEDFOESX-UHFFFAOYSA-N 1 0 306.410 2.999 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339623533 427803741 /nfs/dbraw/zinc/80/37/41/427803741.db2.gz UQGJACSSZOVUNC-BETUJISGSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339623534 427803846 /nfs/dbraw/zinc/80/38/46/427803846.db2.gz UQGJACSSZOVUNC-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO C[C@@H]1C[NH+](CCCCNc2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301545184 427805054 /nfs/dbraw/zinc/80/50/54/427805054.db2.gz DQPKXVMXSKIZIM-ZIAGYGMSSA-N 1 0 307.394 2.896 20 5 DFBDRO Cc1ccc2c(c1)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C(C)(C)C2 ZINC000339636820 427805916 /nfs/dbraw/zinc/80/59/16/427805916.db2.gz PNIDPILZCNBFOU-UHFFFAOYSA-N 1 0 314.389 2.937 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000345880211 272549408 /nfs/dbraw/zinc/54/94/08/272549408.db2.gz LTXRTWYUXVGGEB-UHFFFAOYSA-N 1 0 305.378 2.637 20 5 DFBDRO CCOc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660378 427813061 /nfs/dbraw/zinc/81/30/61/427813061.db2.gz CMEOVPWEMIQXDQ-ZFWWWQNUSA-N 1 0 319.405 2.914 20 5 DFBDRO CCOc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660377 427813090 /nfs/dbraw/zinc/81/30/90/427813090.db2.gz CMEOVPWEMIQXDQ-UKRRQHHQSA-N 1 0 319.405 2.914 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000301801579 427825291 /nfs/dbraw/zinc/82/52/91/427825291.db2.gz CLZNYBROYJZDAR-KRWDZBQOSA-N 1 0 319.405 2.676 20 5 DFBDRO CC(C)[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000339820053 427838238 /nfs/dbraw/zinc/83/82/38/427838238.db2.gz CDMXYOJDBJQRSA-MRXNPFEDSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000302744202 427862754 /nfs/dbraw/zinc/86/27/54/427862754.db2.gz DTFACJWWLIMXQO-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000355740943 427870249 /nfs/dbraw/zinc/87/02/49/427870249.db2.gz BYAKRDVYWNPPBM-QGZVFWFLSA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355784130 427892034 /nfs/dbraw/zinc/89/20/34/427892034.db2.gz OBLJVUBHKMKHCL-MCIONIFRSA-N 1 0 319.405 2.924 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345778388 427900927 /nfs/dbraw/zinc/90/09/27/427900927.db2.gz MZSLUPKKTUDUAP-BETUJISGSA-N 1 0 319.405 2.819 20 5 DFBDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000345822521 427920966 /nfs/dbraw/zinc/92/09/66/427920966.db2.gz VFSKSGADEGOKIK-LSDHHAIUSA-N 1 0 319.405 2.723 20 5 DFBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000350608777 427955538 /nfs/dbraw/zinc/95/55/38/427955538.db2.gz SSGLNWXJCXSTMM-UWVGGRQHSA-N 1 0 317.349 2.600 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])cc1F ZINC000413187742 427986581 /nfs/dbraw/zinc/98/65/81/427986581.db2.gz FJKGJZLPWAJSPE-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000345877683 427939368 /nfs/dbraw/zinc/93/93/68/427939368.db2.gz JGSZFKBJZHVAME-UHFFFAOYSA-N 1 0 311.407 2.699 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340150322 427939743 /nfs/dbraw/zinc/93/97/43/427939743.db2.gz HRWVNMVOWGIXNR-HZSPNIEDSA-N 1 0 304.394 2.831 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)[nH+]1 ZINC000340148148 427939797 /nfs/dbraw/zinc/93/97/97/427939797.db2.gz JFEHKNOFLPGCFP-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345880492 427939861 /nfs/dbraw/zinc/93/98/61/427939861.db2.gz PHPRNFDMWYLVQV-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3c[nH]nc3c2)c(F)c1 ZINC000341253110 428029392 /nfs/dbraw/zinc/02/93/92/428029392.db2.gz JNNLGCLCJIGDRU-UHFFFAOYSA-N 1 0 314.320 2.943 20 5 DFBDRO Cc1c(C[NH2+]Cc2cc(-c3cccnc3)n[nH]2)cccc1[N+](=O)[O-] ZINC000359816799 428030038 /nfs/dbraw/zinc/03/00/38/428030038.db2.gz JTLICMAYROUJPH-UHFFFAOYSA-N 1 0 323.356 2.978 20 5 DFBDRO Cc1ccc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000369682658 428033908 /nfs/dbraw/zinc/03/39/08/428033908.db2.gz GGUWMLORHARMKW-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000346143211 428035993 /nfs/dbraw/zinc/03/59/93/428035993.db2.gz SSQSHKTWBNWMDJ-NSHDSACASA-N 1 0 307.394 2.572 20 5 DFBDRO C[C@@H](Nc1ncnc2cccc([N+](=O)[O-])c21)C(C)(C)C[NH+](C)C ZINC000347449269 272791615 /nfs/dbraw/zinc/79/16/15/272791615.db2.gz ONPORRZJGYODLK-LLVKDONJSA-N 1 0 317.393 2.926 20 5 DFBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000369707419 428041203 /nfs/dbraw/zinc/04/12/03/428041203.db2.gz SNSYUUTXRGQMLV-RDJZCZTQSA-N 1 0 320.389 2.673 20 5 DFBDRO C[N@@H+]1CCC[C@H](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000413432999 428048311 /nfs/dbraw/zinc/04/83/11/428048311.db2.gz CWRFQZILWNDGFI-CYBMUJFWSA-N 1 0 314.389 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C3C[NH+](C4CCCCC4)C3)n2)o1 ZINC000351275479 428052163 /nfs/dbraw/zinc/05/21/63/428052163.db2.gz PBHHPBMIXUIIIU-UHFFFAOYSA-N 1 0 318.333 2.970 20 5 DFBDRO Cc1c(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000369766434 428055417 /nfs/dbraw/zinc/05/54/17/428055417.db2.gz LRKNOXJSVPNVFC-IRXDYDNUSA-N 1 0 303.406 2.962 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764355 428055967 /nfs/dbraw/zinc/05/59/67/428055967.db2.gz BRYYQHCPAZNICM-HZPDHXFCSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)n1ncnc1CNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413264657 428005025 /nfs/dbraw/zinc/00/50/25/428005025.db2.gz JULGVTXPRRQAOJ-UHFFFAOYSA-N 1 0 312.333 2.928 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000377149899 428071373 /nfs/dbraw/zinc/07/13/73/428071373.db2.gz KWXHEFZGCHLYTL-ZDUSSCGKSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1cccc([C@@]2(F)CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000377150890 428072116 /nfs/dbraw/zinc/07/21/16/428072116.db2.gz BOBYSRTVZWMRSA-MRXNPFEDSA-N 1 0 318.352 2.670 20 5 DFBDRO Cc1cc(N[C@H](C)[C@H](C)N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909290 428072133 /nfs/dbraw/zinc/07/21/33/428072133.db2.gz HWECTOWIBWJJHO-NEPJUHHUSA-N 1 0 311.357 2.563 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000359909982 428072750 /nfs/dbraw/zinc/07/27/50/428072750.db2.gz ZMWUUBWSXIAIGF-CJNGLKHVSA-N 1 0 319.405 2.520 20 5 DFBDRO CC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413571128 428083622 /nfs/dbraw/zinc/08/36/22/428083622.db2.gz PPRSTNOJABHOND-MRVPVSSYSA-N 1 0 304.272 2.515 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cccc([N+](=O)[O-])c1 ZINC000377235665 428088824 /nfs/dbraw/zinc/08/88/24/428088824.db2.gz CYXRAOIUEUCTIN-UHFFFAOYSA-N 1 0 311.341 2.647 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000356286969 428105831 /nfs/dbraw/zinc/10/58/31/428105831.db2.gz SQKBRZMAAAAAGN-IAQYHMDHSA-N 1 0 323.368 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCC3)CC2)c(Cl)c1 ZINC000360014593 428118562 /nfs/dbraw/zinc/11/85/62/428118562.db2.gz DBVUWYPZLLDHLG-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+]([C@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000377395601 428119820 /nfs/dbraw/zinc/11/98/20/428119820.db2.gz FSQGHIQSNYJYBJ-OIISXLGYSA-N 1 0 312.373 2.984 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360059 428133706 /nfs/dbraw/zinc/13/37/06/428133706.db2.gz LHQKESOHJPXVSH-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535056 428138931 /nfs/dbraw/zinc/13/89/31/428138931.db2.gz LWYWHGRFMJJCIN-HIFRSBDPSA-N 1 0 321.421 2.908 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352541282 428141826 /nfs/dbraw/zinc/14/18/26/428141826.db2.gz VZJBBJODJSWXPC-KBPBESRZSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070104 428142600 /nfs/dbraw/zinc/14/26/00/428142600.db2.gz GXPHQEODECXDSB-OCCSQVGLSA-N 1 0 307.369 2.963 20 5 DFBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070103 428142698 /nfs/dbraw/zinc/14/26/98/428142698.db2.gz GXPHQEODECXDSB-JSGCOSHPSA-N 1 0 307.369 2.963 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000370082693 428129753 /nfs/dbraw/zinc/12/97/53/428129753.db2.gz OTTNIDQERPUANL-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO 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 428197807 /nfs/dbraw/zinc/19/78/07/428197807.db2.gz UHYVWRSOUPIOFF-WQFFQYHTSA-N 1 0 306.337 2.589 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370402459 428201062 /nfs/dbraw/zinc/20/10/62/428201062.db2.gz AOHCQCVXVNJHQU-DYVFJYSZSA-N 1 0 317.389 2.600 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414239421 428240537 /nfs/dbraw/zinc/24/05/37/428240537.db2.gz YPRAOYRPSVTJSU-NQBHXWOUSA-N 1 0 323.418 2.796 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000360356699 428266227 /nfs/dbraw/zinc/26/62/27/428266227.db2.gz WXWFJBLNEXWGFR-JKSUJKDBSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CCC[NH2+]CC3)o2)cc1 ZINC000346682422 428270436 /nfs/dbraw/zinc/27/04/36/428270436.db2.gz DSGTZLGZLMCMTN-UHFFFAOYSA-N 1 0 301.346 2.650 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H]([NH3+])C(C)C ZINC000346691796 428276611 /nfs/dbraw/zinc/27/66/11/428276611.db2.gz WJYHUMLCZJZSBA-OAHLLOKOSA-N 1 0 309.410 2.799 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CCC(N)=O)CC1 ZINC000352778394 428242625 /nfs/dbraw/zinc/24/26/25/428242625.db2.gz KHYKJXPAUYGONV-CYBMUJFWSA-N 1 0 319.405 2.942 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@@H](C)O1 ZINC000414263151 428244732 /nfs/dbraw/zinc/24/47/32/428244732.db2.gz PGGVLXAIBKGDCM-RYPNDVFKSA-N 1 0 322.409 2.678 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352780025 428244785 /nfs/dbraw/zinc/24/47/85/428244785.db2.gz RCHPITXEWHUOQP-OLZOCXBDSA-N 1 0 307.394 2.518 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000370582048 428246259 /nfs/dbraw/zinc/24/62/59/428246259.db2.gz BZYKJNWDMYMKEU-CYBMUJFWSA-N 1 0 318.352 2.847 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000370582049 428246730 /nfs/dbraw/zinc/24/67/30/428246730.db2.gz BZYKJNWDMYMKEU-ZDUSSCGKSA-N 1 0 318.352 2.847 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000342149066 428322480 /nfs/dbraw/zinc/32/24/80/428322480.db2.gz HRGDICAJMWPYFN-PBHICJAKSA-N 1 0 318.373 2.760 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017362 428342410 /nfs/dbraw/zinc/34/24/10/428342410.db2.gz IOBJURXZGDRKCG-STQMWFEESA-N 1 0 310.785 2.706 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]2C(F)F)c1 ZINC000342209667 428351923 /nfs/dbraw/zinc/35/19/23/428351923.db2.gz LQWHFWCZTAKREI-RKDXNWHRSA-N 1 0 308.231 2.939 20 5 DFBDRO Cc1c(Cc2nc([C@H]([NH3+])CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000414617272 428354957 /nfs/dbraw/zinc/35/49/57/428354957.db2.gz LAYCPTYNXMULII-GFCCVEGCSA-N 1 0 304.350 2.923 20 5 DFBDRO CC(C)(C)[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353133558 428397701 /nfs/dbraw/zinc/39/77/01/428397701.db2.gz GAOMVSCHSJAIPI-HIFRSBDPSA-N 1 0 323.368 2.517 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3Cc4ccccc43)C2)nc1 ZINC000346993344 428400284 /nfs/dbraw/zinc/40/02/84/428400284.db2.gz JFMJJEMSOXRDNI-CABCVRRESA-N 1 0 324.384 2.816 20 5 DFBDRO COc1cccc(-c2nc([C@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000414621189 428356741 /nfs/dbraw/zinc/35/67/41/428356741.db2.gz RDDYQMPAEJTNAA-SNVBAGLBSA-N 1 0 306.322 2.699 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCC2)no1 ZINC000414621563 428356956 /nfs/dbraw/zinc/35/69/56/428356956.db2.gz AIEFQACIWRYLKM-MDZDMXLPSA-N 1 0 300.318 2.876 20 5 DFBDRO C[C@@H](c1nc(C2([NH3+])CCCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000414625964 428358662 /nfs/dbraw/zinc/35/86/62/428358662.db2.gz JAZMFZRJMJHNMQ-SECBINFHSA-N 1 0 320.324 2.997 20 5 DFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000414652000 428364937 /nfs/dbraw/zinc/36/49/37/428364937.db2.gz CSXSSUADHANZPI-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1ccc(NC(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000414656202 428367548 /nfs/dbraw/zinc/36/75/48/428367548.db2.gz HYNREZWJEZCMPD-UHFFFAOYSA-N 1 0 306.366 2.686 20 5 DFBDRO Cc1ccc(NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414659462 428367624 /nfs/dbraw/zinc/36/76/24/428367624.db2.gz NARBZOUSEWTCOT-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO C[C@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682021 428374206 /nfs/dbraw/zinc/37/42/06/428374206.db2.gz XKCFXQMOXWDWIX-KBPBESRZSA-N 1 0 303.406 2.947 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000372408120 428443300 /nfs/dbraw/zinc/44/33/00/428443300.db2.gz GBZWOOLMSDPRGV-GXTWGEPZSA-N 1 0 305.378 2.613 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414881486 428444486 /nfs/dbraw/zinc/44/44/86/428444486.db2.gz LAKBEXUKKRQZDU-GFCCVEGCSA-N 1 0 303.387 2.775 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000378650507 428447854 /nfs/dbraw/zinc/44/78/54/428447854.db2.gz OUHLMWVUPZSVOD-OAHLLOKOSA-N 1 0 300.362 2.589 20 5 DFBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347117913 428453960 /nfs/dbraw/zinc/45/39/60/428453960.db2.gz XKTSVDWJENBOJZ-CYBMUJFWSA-N 1 0 315.373 2.896 20 5 DFBDRO Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000378510962 428417476 /nfs/dbraw/zinc/41/74/76/428417476.db2.gz JYUNCYZPVXRPFI-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347039528 428418730 /nfs/dbraw/zinc/41/87/30/428418730.db2.gz JOOXKEWNPAZYMH-CYBMUJFWSA-N 1 0 315.373 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C4CC4)C3)n2)cc1 ZINC000372339568 428430869 /nfs/dbraw/zinc/43/08/69/428430869.db2.gz OGFKAKPQBWWUQK-CYBMUJFWSA-N 1 0 314.345 2.877 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000357317877 428480665 /nfs/dbraw/zinc/48/06/65/428480665.db2.gz RQFRCOGZBBUSJC-CQSZACIVSA-N 1 0 307.394 2.672 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCO)Cc1ccccc1 ZINC000353319391 428481599 /nfs/dbraw/zinc/48/15/99/428481599.db2.gz DCJAOGJAFITQKE-UHFFFAOYSA-N 1 0 300.358 2.979 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000414998365 428485177 /nfs/dbraw/zinc/48/51/77/428485177.db2.gz IUMUEVBEEPYMMA-RISCZKNCSA-N 1 0 313.348 2.503 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[N@H+]2CC=CCC2)cc1[N+](=O)[O-] ZINC000360902159 428486274 /nfs/dbraw/zinc/48/62/74/428486274.db2.gz VITBHKDSQVSIMK-UHFFFAOYSA-N 1 0 317.389 2.710 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000360909930 428487572 /nfs/dbraw/zinc/48/75/72/428487572.db2.gz NPXVGJPCBYDVPR-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000394629636 428488631 /nfs/dbraw/zinc/48/86/31/428488631.db2.gz UPJCCOHBRXASQK-HTQZYQBOSA-N 1 0 302.172 2.813 20 5 DFBDRO CC[NH+](CC)CCSc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357336907 428489155 /nfs/dbraw/zinc/48/91/55/428489155.db2.gz MSNZQVSAKCGIOR-UHFFFAOYSA-N 1 0 306.391 2.972 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341233 428492045 /nfs/dbraw/zinc/49/20/45/428492045.db2.gz BXLZWYCMMJFBSD-MBNYWOFBSA-N 1 0 305.378 2.502 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000360918859 428492892 /nfs/dbraw/zinc/49/28/92/428492892.db2.gz MTDWJTUCLHHXBT-AWEZNQCLSA-N 1 0 321.421 2.620 20 5 DFBDRO Cc1ccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000415058759 428503920 /nfs/dbraw/zinc/50/39/20/428503920.db2.gz WETAFXLIABHXKL-DLBZAZTESA-N 1 0 311.385 2.748 20 5 DFBDRO Cc1cc(N2C[C@H](CO)C[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000398802564 428526874 /nfs/dbraw/zinc/52/68/74/428526874.db2.gz OHZBRIVLGGOORH-WCQYABFASA-N 1 0 315.373 2.906 20 5 DFBDRO CCc1nn(C)c(NC[C@H](C(CC)CC)[NH+](C)C)c1[N+](=O)[O-] ZINC000360880788 428476628 /nfs/dbraw/zinc/47/66/28/428476628.db2.gz CMQPTWJOQOHVIJ-CYBMUJFWSA-N 1 0 311.430 2.669 20 5 DFBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])nc(C)n1CC)[NH+](C)C ZINC000360881011 428477363 /nfs/dbraw/zinc/47/73/63/428477363.db2.gz IVEKTWPCBBNXHE-CYBMUJFWSA-N 1 0 311.430 2.898 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415485418 428587973 /nfs/dbraw/zinc/58/79/73/428587973.db2.gz QEGSESMKWMBPOJ-OCCSQVGLSA-N 1 0 320.393 2.945 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000415509434 428591171 /nfs/dbraw/zinc/59/11/71/428591171.db2.gz WIKAXSMHBWDGBJ-UHFFFAOYSA-N 1 0 306.366 2.768 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358250423 428591640 /nfs/dbraw/zinc/59/16/40/428591640.db2.gz PEHHSZRRQUOVEV-HRCADAONSA-N 1 0 319.405 2.940 20 5 DFBDRO COc1ccc(C[NH2+]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000347324233 428544350 /nfs/dbraw/zinc/54/43/50/428544350.db2.gz UQSSFYUNJNQMJV-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000415411669 428579770 /nfs/dbraw/zinc/57/97/70/428579770.db2.gz BLYAGENDQLDPCA-BXUZGUMPSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415582926 428598294 /nfs/dbraw/zinc/59/82/94/428598294.db2.gz QANDNJOABCNNQP-CYBMUJFWSA-N 1 0 320.393 2.723 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000344031795 428611606 /nfs/dbraw/zinc/61/16/06/428611606.db2.gz CYRXAZCIZZHRSQ-GDBMZVCRSA-N 1 0 320.389 2.623 20 5 DFBDRO COC[C@@](C)([NH3+])CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000293033930 274046872 /nfs/dbraw/zinc/04/68/72/274046872.db2.gz KEMTXLWXHPKVNW-LBPRGKRZSA-N 1 0 321.299 2.698 20 5 DFBDRO COC[C@](C)([NH3+])CNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000293033927 274052368 /nfs/dbraw/zinc/05/23/68/274052368.db2.gz KEMTXLWXHPKVNW-GFCCVEGCSA-N 1 0 321.299 2.698 20 5 DFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284273458 274079350 /nfs/dbraw/zinc/07/93/50/274079350.db2.gz XOOIDHMKOKGBMU-JSGCOSHPSA-N 1 0 309.322 2.550 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408352535 428645831 /nfs/dbraw/zinc/64/58/31/428645831.db2.gz RHLHQEGQOWIANK-NJKWTTEGSA-N 1 0 310.419 2.806 20 5 DFBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194025179 274178621 /nfs/dbraw/zinc/17/86/21/274178621.db2.gz QJQZQRVUJNOHGM-GFCCVEGCSA-N 1 0 311.363 2.830 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194724274 274260817 /nfs/dbraw/zinc/26/08/17/274260817.db2.gz MLMYIXHQHBQYRD-VXGBXAGGSA-N 1 0 314.345 2.668 20 5 DFBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000354083324 274300841 /nfs/dbraw/zinc/30/08/41/274300841.db2.gz BBEAQRPUQXYXOQ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262501138 274304485 /nfs/dbraw/zinc/30/44/85/274304485.db2.gz LZXXQKYFIYHYCZ-NEPJUHHUSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C[NH3+])C1 ZINC000262522232 274304774 /nfs/dbraw/zinc/30/47/74/274304774.db2.gz OFKVDLHQPNLOSY-RISCZKNCSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000094342394 274363965 /nfs/dbraw/zinc/36/39/65/274363965.db2.gz KAPFUSPZHHIVRX-KCJUWKMLSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332407079 274400360 /nfs/dbraw/zinc/40/03/60/274400360.db2.gz YTFDXCIYAALJSW-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C(F)F)o2)cc1 ZINC000344766391 428704480 /nfs/dbraw/zinc/70/44/80/428704480.db2.gz XZLZCJORRLGTTI-LBPRGKRZSA-N 1 0 312.272 2.570 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H]2C(F)F)n1 ZINC000348314316 428705419 /nfs/dbraw/zinc/70/54/19/428705419.db2.gz WGBCQBKNHBZZAH-XWLWVQCSSA-N 1 0 300.309 2.518 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000362327294 428705885 /nfs/dbraw/zinc/70/58/85/428705885.db2.gz XUTFBVSBOHAUKI-FZMZJTMJSA-N 1 0 324.352 2.743 20 5 DFBDRO NC(=O)CCC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000353778315 428711682 /nfs/dbraw/zinc/71/16/82/428711682.db2.gz CZVRXYIAADJIDV-HYXAFXHYSA-N 1 0 317.389 2.586 20 5 DFBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362349043 428714465 /nfs/dbraw/zinc/71/44/65/428714465.db2.gz QKXWPTWNZXORNU-UHFFFAOYSA-N 1 0 318.352 3.160 20 5 DFBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643140 428721199 /nfs/dbraw/zinc/72/11/99/428721199.db2.gz DZSRLMLPNWCMEL-WBMJQRKESA-N 1 0 322.336 2.509 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)C ZINC000353733831 428682233 /nfs/dbraw/zinc/68/22/33/428682233.db2.gz BPFNTXZEDOWQQB-ZDUSSCGKSA-N 1 0 324.377 2.671 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411217758 428762914 /nfs/dbraw/zinc/76/29/14/428762914.db2.gz MVVPDHXLVPTUAX-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cn1 ZINC000374862398 428767891 /nfs/dbraw/zinc/76/78/91/428767891.db2.gz KSPCEZZYXUAWSP-ZDUSSCGKSA-N 1 0 318.352 2.847 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000411316956 428777825 /nfs/dbraw/zinc/77/78/25/428777825.db2.gz NCMSHODBIYFERA-TXEJJXNPSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1cccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)n1 ZINC000348545220 428780174 /nfs/dbraw/zinc/78/01/74/428780174.db2.gz UBNVYZNDXFMIFM-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO CCC[NH+](CCC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000411160600 428747696 /nfs/dbraw/zinc/74/76/96/428747696.db2.gz AQVLYAZOMZSYQL-OAHLLOKOSA-N 1 0 305.378 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000362447655 428748403 /nfs/dbraw/zinc/74/84/03/428748403.db2.gz CQLCCHOERAFLRZ-YOEHRIQHSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CC2(C1)CCCCC2 ZINC000375182854 428819098 /nfs/dbraw/zinc/81/90/98/428819098.db2.gz LWXPTOJRGWOJDR-CQSZACIVSA-N 1 0 320.389 2.601 20 5 DFBDRO C[C@H]1CCSCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411624630 428824885 /nfs/dbraw/zinc/82/48/85/428824885.db2.gz JPQJKFFAJIWENY-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000345279631 428828073 /nfs/dbraw/zinc/82/80/73/428828073.db2.gz VXDPLHZASNIDSE-QWHCGFSZSA-N 1 0 320.393 2.816 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026688 428843774 /nfs/dbraw/zinc/84/37/74/428843774.db2.gz LJDYEHJOJHYGGS-RYUDHWBXSA-N 1 0 323.780 2.605 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108596 428859279 /nfs/dbraw/zinc/85/92/79/428859279.db2.gz UINWNWFQEDTUSQ-NWDGAFQWSA-N 1 0 321.377 2.651 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000348870681 428865692 /nfs/dbraw/zinc/86/56/92/428865692.db2.gz BRTDCQVAFDNEAR-GFCCVEGCSA-N 1 0 300.305 2.964 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286275220 274639137 /nfs/dbraw/zinc/63/91/37/274639137.db2.gz DRBOTKCRDCTZRM-GWCFXTLKSA-N 1 0 310.785 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375400747 428875917 /nfs/dbraw/zinc/87/59/17/428875917.db2.gz GJOFXSNPOZNDLB-CYBMUJFWSA-N 1 0 314.345 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1 ZINC000363198995 428878831 /nfs/dbraw/zinc/87/88/31/428878831.db2.gz MQPZYKMJIDQBEY-MRXNPFEDSA-N 1 0 300.362 2.671 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411902428 428879789 /nfs/dbraw/zinc/87/97/89/428879789.db2.gz HEIDYURGELWULG-UHOFOFEASA-N 1 0 319.405 2.545 20 5 DFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411941351 428889711 /nfs/dbraw/zinc/88/97/11/428889711.db2.gz GXLJMBPDDDUMKL-WBMJQRKESA-N 1 0 308.378 2.767 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412031948 428914765 /nfs/dbraw/zinc/91/47/65/428914765.db2.gz BLNYMARUNPLXEK-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000375601649 428920835 /nfs/dbraw/zinc/92/08/35/428920835.db2.gz ZLEWYZILJVCNLV-ZDUSSCGKSA-N 1 0 318.402 2.762 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224673 428926005 /nfs/dbraw/zinc/92/60/05/428926005.db2.gz ONELPOLZXUBGQD-HUUCEWRRSA-N 1 0 321.421 2.778 20 5 DFBDRO CCC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000375654994 428932584 /nfs/dbraw/zinc/93/25/84/428932584.db2.gz KYHIIGLBKQHNQH-AWEZNQCLSA-N 1 0 317.389 2.862 20 5 DFBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058437 428933865 /nfs/dbraw/zinc/93/38/65/428933865.db2.gz VGJIXJTWRSXLHD-OAHLLOKOSA-N 1 0 317.389 2.572 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000375664769 428935402 /nfs/dbraw/zinc/93/54/02/428935402.db2.gz JOPJDMFSNIJKNZ-MSOLQXFVSA-N 1 0 312.369 2.727 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000349208288 428938491 /nfs/dbraw/zinc/93/84/91/428938491.db2.gz KQTBRNFGWJKXDP-BDJLRTHQSA-N 1 0 308.378 2.805 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412082662 428947519 /nfs/dbraw/zinc/94/75/19/428947519.db2.gz MVBZCYMKKPECDD-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[N@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000349322800 428962034 /nfs/dbraw/zinc/96/20/34/428962034.db2.gz DCNWGKCCOBSJAM-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+]2CCC1CC2 ZINC000349336388 428963485 /nfs/dbraw/zinc/96/34/85/428963485.db2.gz XHFHZVSXCUIPTO-SDNWHVSQSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1nc([C@@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766763 428966000 /nfs/dbraw/zinc/96/60/00/428966000.db2.gz XTQUGMXOLUPMBN-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO COCCOC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288327 429019268 /nfs/dbraw/zinc/01/92/68/429019268.db2.gz RILKBCDHMYZDLB-MLGOLLRUSA-N 1 0 322.405 2.958 20 5 DFBDRO CCc1ccc([C@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000433081103 428992691 /nfs/dbraw/zinc/99/26/91/428992691.db2.gz FWVKDCDSBYOSBQ-HNNXBMFYSA-N 1 0 314.389 2.880 20 5 DFBDRO CSC1(C[NH2+][C@@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433097622 428992940 /nfs/dbraw/zinc/99/29/40/428992940.db2.gz ODDOZFJPCFWYKI-NSHDSACASA-N 1 0 323.418 2.797 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423709210 429002664 /nfs/dbraw/zinc/00/26/64/429002664.db2.gz WBPXBGVPIJFXMD-CQSZACIVSA-N 1 0 319.405 2.980 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423713130 429002854 /nfs/dbraw/zinc/00/28/54/429002854.db2.gz WPTFRMDDNRDGCS-ZIAGYGMSSA-N 1 0 319.405 2.767 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c(F)c1 ZINC000433188524 429006947 /nfs/dbraw/zinc/00/69/47/429006947.db2.gz AKUGRSCPYQZASS-UHFFFAOYSA-N 1 0 308.353 2.766 20 5 DFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433196763 429009934 /nfs/dbraw/zinc/00/99/34/429009934.db2.gz MPBSFOSGVBUVFQ-INIZCTEOSA-N 1 0 324.446 2.981 20 5 DFBDRO CO[C@@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000433244076 429014777 /nfs/dbraw/zinc/01/47/77/429014777.db2.gz XPRBUVZFGKBOJO-NVXWUHKLSA-N 1 0 320.389 2.712 20 5 DFBDRO Cc1nc(NC[C@@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301660856 274844333 /nfs/dbraw/zinc/84/43/33/274844333.db2.gz UMBQIEILHLSLPU-OAHLLOKOSA-N 1 0 314.389 2.883 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423978796 429069779 /nfs/dbraw/zinc/06/97/79/429069779.db2.gz QQNALHGFVRJRKE-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423993457 429072747 /nfs/dbraw/zinc/07/27/47/429072747.db2.gz HODOHZUQQHGEAO-YGRLFVJLSA-N 1 0 319.405 2.577 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423993456 429073449 /nfs/dbraw/zinc/07/34/49/429073449.db2.gz HODOHZUQQHGEAO-QMTHXVAHSA-N 1 0 319.405 2.577 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452184218 429080583 /nfs/dbraw/zinc/08/05/83/429080583.db2.gz RIPVGHMNNQCXJT-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494705321 429146386 /nfs/dbraw/zinc/14/63/86/429146386.db2.gz APLLBSJMGSRSLU-OAHLLOKOSA-N 1 0 320.389 2.865 20 5 DFBDRO C[NH+](C)CCc1ccc(Nc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413136318 429146838 /nfs/dbraw/zinc/14/68/38/429146838.db2.gz NVYHMCOYRIDOHC-UHFFFAOYSA-N 1 0 304.325 2.977 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376617894 429148304 /nfs/dbraw/zinc/14/83/04/429148304.db2.gz KRUVQJBAAFVYCR-ZDUSSCGKSA-N 1 0 317.389 2.650 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423508101 429103563 /nfs/dbraw/zinc/10/35/63/429103563.db2.gz KLOILKBTDGAWGE-AWEZNQCLSA-N 1 0 319.405 2.932 20 5 DFBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982006 429117005 /nfs/dbraw/zinc/11/70/05/429117005.db2.gz JGFTYUFGRWBSDN-LSDHHAIUSA-N 1 0 324.425 2.707 20 5 DFBDRO CC(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413048142 429128035 /nfs/dbraw/zinc/12/80/35/429128035.db2.gz RTZUWHDRVFNIDL-UHFFFAOYSA-N 1 0 318.299 2.539 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC3)o2)c(Cl)c1 ZINC000435372281 429133342 /nfs/dbraw/zinc/13/33/42/429133342.db2.gz JKUPPEAXLOILJW-UHFFFAOYSA-N 1 0 321.764 2.913 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000364072485 429165963 /nfs/dbraw/zinc/16/59/63/429165963.db2.gz NJKVPEKPOFJEPL-HUUCEWRRSA-N 1 0 317.389 2.507 20 5 DFBDRO O=C1[C@H]([N@@H+]2CCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000123342966 275029094 /nfs/dbraw/zinc/02/90/94/275029094.db2.gz LKDOPWXJFKJGIR-OAHLLOKOSA-N 1 0 315.373 2.576 20 5 DFBDRO O=[N+]([O-])c1c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)nc2sccn21 ZINC000301187572 275032806 /nfs/dbraw/zinc/03/28/06/275032806.db2.gz KRZLGTIEWSTFSZ-SNVBAGLBSA-N 1 0 321.406 2.733 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000276600467 275034510 /nfs/dbraw/zinc/03/45/10/275034510.db2.gz KOGFQIRMAFWIIR-CQSZACIVSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000072089535 275036769 /nfs/dbraw/zinc/03/67/69/275036769.db2.gz AKJYGQJLEXMOQO-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ccncc21 ZINC000301158817 275036791 /nfs/dbraw/zinc/03/67/91/275036791.db2.gz RIGMSRBHHBLYMX-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](C4CCC4)CC3)ccc2c1 ZINC000265021353 275038959 /nfs/dbraw/zinc/03/89/59/275038959.db2.gz YJJHTVZKKHBTNY-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364330143 429182945 /nfs/dbraw/zinc/18/29/45/429182945.db2.gz URYGOYSPKBMTRK-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)o2)c1 ZINC000364447196 429206397 /nfs/dbraw/zinc/20/63/97/429206397.db2.gz KXMFDWWZWVZISX-INIZCTEOSA-N 1 0 314.341 2.812 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495424989 429207641 /nfs/dbraw/zinc/20/76/41/429207641.db2.gz UTTKZQBSXPKIQY-QWHCGFSZSA-N 1 0 321.377 2.785 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C[NH+](C)C ZINC000488999929 429213631 /nfs/dbraw/zinc/21/36/31/429213631.db2.gz DUDCJRFUOMTPFZ-SECBINFHSA-N 1 0 303.309 2.806 20 5 DFBDRO CCc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489343042 429231678 /nfs/dbraw/zinc/23/16/78/429231678.db2.gz ZJCQHAYERAFIGL-INIZCTEOSA-N 1 0 319.405 2.569 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416335 429198730 /nfs/dbraw/zinc/19/87/30/429198730.db2.gz LMSFZZMGAYZQAW-WDEREUQCSA-N 1 0 323.780 2.605 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)C2(C)CCCC2)c([N+](=O)[O-])c1 ZINC000489852025 429264972 /nfs/dbraw/zinc/26/49/72/429264972.db2.gz ZAHKQQVIIYRWLN-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495791134 429266519 /nfs/dbraw/zinc/26/65/19/429266519.db2.gz BSWWWTDHJODKJG-GFCCVEGCSA-N 1 0 321.377 2.818 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554848 429321985 /nfs/dbraw/zinc/32/19/85/429321985.db2.gz WYMBDORIIWLSGY-NWDGAFQWSA-N 1 0 301.350 2.572 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC[C@@H]1C ZINC000449079289 429324875 /nfs/dbraw/zinc/32/48/75/429324875.db2.gz OHMWVDAMISZCBM-GJZGRUSLSA-N 1 0 305.422 2.990 20 5 DFBDRO CC[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078919 429325608 /nfs/dbraw/zinc/32/56/08/429325608.db2.gz WUMBYSXSWXWOAS-ZBFHGGJFSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@H](C)C1 ZINC000449084035 429326537 /nfs/dbraw/zinc/32/65/37/429326537.db2.gz WEMLQXUEVQAHBF-LSDHHAIUSA-N 1 0 305.422 2.847 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000449085258 429326857 /nfs/dbraw/zinc/32/68/57/429326857.db2.gz LQJDGATXVXEOFY-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456400237 429298345 /nfs/dbraw/zinc/29/83/45/429298345.db2.gz VECOPFPCKPLYLB-VXNVDRBHSA-N 1 0 306.347 2.597 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425513674 429314431 /nfs/dbraw/zinc/31/44/31/429314431.db2.gz OKZAXSSZVBIAAR-HIFRSBDPSA-N 1 0 315.377 2.893 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426462902 429392175 /nfs/dbraw/zinc/39/21/75/429392175.db2.gz WIYWJDZBUUWLGG-IUODEOHRSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1sc(C(=O)NCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000457083057 429394398 /nfs/dbraw/zinc/39/43/98/429394398.db2.gz WYMYSBQUCQZGII-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449181663 429350593 /nfs/dbraw/zinc/35/05/93/429350593.db2.gz IEXBITGBENUKMR-BXUZGUMPSA-N 1 0 315.377 2.550 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000449181646 429351661 /nfs/dbraw/zinc/35/16/61/429351661.db2.gz IBZRZVUDDXEHTD-TZMCWYRMSA-N 1 0 319.405 2.515 20 5 DFBDRO Cc1cccc(NCC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449227969 429360926 /nfs/dbraw/zinc/36/09/26/429360926.db2.gz WZHCBLPCCUZAAK-CQSZACIVSA-N 1 0 314.389 2.931 20 5 DFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491503514 429366629 /nfs/dbraw/zinc/36/66/29/429366629.db2.gz DFARMWGXGGQIRN-JQPIKURYSA-N 1 0 317.389 2.551 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000365788951 429372268 /nfs/dbraw/zinc/37/22/68/429372268.db2.gz XQNGPUMULRTAFQ-UHFFFAOYSA-N 1 0 319.405 2.715 20 5 DFBDRO Cc1cc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000457050358 429387081 /nfs/dbraw/zinc/38/70/81/429387081.db2.gz LGVUQIPEQMBYSL-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852584 429387542 /nfs/dbraw/zinc/38/75/42/429387542.db2.gz AGYJNASOZVPPTD-HOCLYGCPSA-N 1 0 314.389 2.978 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449514544 429439360 /nfs/dbraw/zinc/43/93/60/429439360.db2.gz WLOFBSXGYGVSEF-YUELXQCFSA-N 1 0 320.389 2.847 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449535397 429446579 /nfs/dbraw/zinc/44/65/79/429446579.db2.gz HPYUNRJSPHSKQH-DOTOQJQBSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CCC2)C1 ZINC000366338941 429447791 /nfs/dbraw/zinc/44/77/91/429447791.db2.gz IVJPDJXGXZJLRY-AWEZNQCLSA-N 1 0 320.389 2.601 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492011592 429450953 /nfs/dbraw/zinc/45/09/53/429450953.db2.gz UGTCVGXLXJYQJJ-VQHVLOKHSA-N 1 0 323.368 2.547 20 5 DFBDRO CC(C)C[C@@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000518272811 429416016 /nfs/dbraw/zinc/41/60/16/429416016.db2.gz TXRMDCIYTARUAQ-CQSZACIVSA-N 1 0 306.410 2.794 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCCC2(F)F)c([N+](=O)[O-])cc1O ZINC000449492683 429433646 /nfs/dbraw/zinc/43/36/46/429433646.db2.gz JVCGPSTUQRVCRJ-JTQLQIEISA-N 1 0 316.304 2.834 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449507017 429437739 /nfs/dbraw/zinc/43/77/39/429437739.db2.gz DHRIDGULRCVNEO-CABCVRRESA-N 1 0 306.362 2.806 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000366854567 429527381 /nfs/dbraw/zinc/52/73/81/429527381.db2.gz QFPHLTDSXUHDQU-INIZCTEOSA-N 1 0 304.390 2.886 20 5 DFBDRO CC(C)c1ccc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000449676376 429476766 /nfs/dbraw/zinc/47/67/66/429476766.db2.gz GRPWZRSJVNYXGD-XJKSGUPXSA-N 1 0 322.405 2.690 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000519732787 429483561 /nfs/dbraw/zinc/48/35/61/429483561.db2.gz UWRNYGNWFGONRM-JSGCOSHPSA-N 1 0 306.410 2.773 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c2cccnc21 ZINC000519751927 429485639 /nfs/dbraw/zinc/48/56/39/429485639.db2.gz YIBAFZGJDIQWBS-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753108 429507902 /nfs/dbraw/zinc/50/79/02/429507902.db2.gz XENFRXDGFBSMGL-DZGCQCFKSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000366835001 429521832 /nfs/dbraw/zinc/52/18/32/429521832.db2.gz AWGUJAWUCKNUQY-CABCVRRESA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@H]1CCCO1)CCC2 ZINC000521536359 429554337 /nfs/dbraw/zinc/55/43/37/429554337.db2.gz ZBCQAWJEQNUOIB-WBVHZDCISA-N 1 0 320.389 2.757 20 5 DFBDRO CC1(C)CN(c2ccc(Br)cc2[N+](=O)[O-])CC[NH2+]1 ZINC000124023900 275850054 /nfs/dbraw/zinc/85/00/54/275850054.db2.gz XKBMDSCWELFOGP-UHFFFAOYSA-N 1 0 314.183 2.546 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428996297 429569883 /nfs/dbraw/zinc/56/98/83/429569883.db2.gz QVHJPHYTHJMSDS-PBFPGSCMSA-N 1 0 321.396 2.896 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011644 429571348 /nfs/dbraw/zinc/57/13/48/429571348.db2.gz SYAXLUIRTSEDRY-CPUCHLNUSA-N 1 0 303.406 2.757 20 5 DFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000367128220 429582573 /nfs/dbraw/zinc/58/25/73/429582573.db2.gz YKMQBZDPVDCGJA-CYBMUJFWSA-N 1 0 323.780 2.539 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000367122563 429583803 /nfs/dbraw/zinc/58/38/03/429583803.db2.gz CMVKVORMRQAOOV-CQSZACIVSA-N 1 0 317.345 2.577 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450462224 429630644 /nfs/dbraw/zinc/63/06/44/429630644.db2.gz ZDOICQJCNMUGEH-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CN(C2CC2)CCO1 ZINC000367425396 429645947 /nfs/dbraw/zinc/64/59/47/429645947.db2.gz DKPDKLVQIMAYOZ-GFCCVEGCSA-N 1 0 311.769 2.523 20 5 DFBDRO Cc1csc(=O)n1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429257835 429592041 /nfs/dbraw/zinc/59/20/41/429592041.db2.gz FVLCDEMBUAEQGM-UHFFFAOYSA-N 1 0 321.402 2.651 20 5 DFBDRO Cc1cnc(OCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000430114853 429652143 /nfs/dbraw/zinc/65/21/43/429652143.db2.gz FBCHGBWFYPDQRU-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000450375776 429612531 /nfs/dbraw/zinc/61/25/31/429612531.db2.gz FMPCDRWMSLXYSE-LRDDRELGSA-N 1 0 314.389 3.284 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450375778 429612627 /nfs/dbraw/zinc/61/26/27/429612627.db2.gz FMPCDRWMSLXYSE-WBMJQRKESA-N 1 0 314.389 3.284 20 5 DFBDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000525487987 429660839 /nfs/dbraw/zinc/66/08/39/429660839.db2.gz WQUQXCDHUMPGIN-CQSZACIVSA-N 1 0 300.358 2.978 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000430217148 429662647 /nfs/dbraw/zinc/66/26/47/429662647.db2.gz ILTLZKWCGHZRJQ-DZGCQCFKSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000430212244 429663587 /nfs/dbraw/zinc/66/35/87/429663587.db2.gz ZVLDZSVSJACRSC-LBPRGKRZSA-N 1 0 306.362 2.604 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000430219068 429663618 /nfs/dbraw/zinc/66/36/18/429663618.db2.gz KQELNPUBSLOWCI-CABCVRRESA-N 1 0 322.405 2.832 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000430204976 429664191 /nfs/dbraw/zinc/66/41/91/429664191.db2.gz SYEKEBBAHXPVKH-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000358308905 276008155 /nfs/dbraw/zinc/00/81/55/276008155.db2.gz HQVFHNIXCRALGJ-CQSZACIVSA-N 1 0 320.393 2.899 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000358308901 276011247 /nfs/dbraw/zinc/01/12/47/276011247.db2.gz HQVFHNIXCRALGJ-AWEZNQCLSA-N 1 0 320.393 2.899 20 5 DFBDRO CC1=C[C@@H](C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430282955 429672508 /nfs/dbraw/zinc/67/25/08/429672508.db2.gz XQCVUVKZGTWIBG-GFCCVEGCSA-N 1 0 303.362 2.821 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000354983512 276342120 /nfs/dbraw/zinc/34/21/20/276342120.db2.gz OALIYGQJMICEIE-XNRPHZJLSA-N 1 0 308.378 2.748 20 5 DFBDRO CCOc1cccc(N2CCC[N@@H+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000184100481 276380778 /nfs/dbraw/zinc/38/07/78/276380778.db2.gz DWUNGHYFENSSJP-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000431130466 429746260 /nfs/dbraw/zinc/74/62/60/429746260.db2.gz VMHYKALNQDYCAB-GOEBONIOSA-N 1 0 322.405 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)cc1 ZINC000367778619 429716142 /nfs/dbraw/zinc/71/61/42/429716142.db2.gz LHDLZVKUZHXUDA-ZSHCYNCHSA-N 1 0 314.341 2.525 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493224880 429716469 /nfs/dbraw/zinc/71/64/69/429716469.db2.gz OHQGMSNZVORXRB-FLIBITNWSA-N 1 0 319.405 2.845 20 5 DFBDRO CC[NH2+]CC1CCN(c2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000262338288 276419876 /nfs/dbraw/zinc/41/98/76/276419876.db2.gz UALUPENFUCUVPD-UHFFFAOYSA-N 1 0 307.394 2.819 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493293885 429731142 /nfs/dbraw/zinc/73/11/42/429731142.db2.gz MFSFRPNYDSWBFH-WRLNGNIRSA-N 1 0 323.368 2.627 20 5 DFBDRO CCOc1cc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450951577 429737181 /nfs/dbraw/zinc/73/71/81/429737181.db2.gz GIPWFXOOSHJUAW-AWEZNQCLSA-N 1 0 307.394 2.912 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)ccc1[N+](=O)[O-] ZINC000451263711 429799947 /nfs/dbraw/zinc/79/99/47/429799947.db2.gz IGYIQCYLTHRAMK-UONOGXRCSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000432142370 429804946 /nfs/dbraw/zinc/80/49/46/429804946.db2.gz DUFSOEQFXJDKIQ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995508 429761675 /nfs/dbraw/zinc/76/16/75/429761675.db2.gz NBKRIYLXYGSDCQ-YPMHNXCESA-N 1 0 300.362 2.834 20 5 DFBDRO CC(C)C[C@@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451078593 429764478 /nfs/dbraw/zinc/76/44/78/429764478.db2.gz MXUWQLKDJWWWAM-CQSZACIVSA-N 1 0 319.405 2.787 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493677434 429807486 /nfs/dbraw/zinc/80/74/86/429807486.db2.gz UQTQDZDQKGSHNK-KXPUMZMLSA-N 1 0 317.389 2.549 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493758190 429823427 /nfs/dbraw/zinc/82/34/27/429823427.db2.gz RUMQJZCTHGLUSU-LFYBBSHMSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451423531 429827698 /nfs/dbraw/zinc/82/76/98/429827698.db2.gz RYBHEWSXOSHOCS-SQWLQELKSA-N 1 0 320.389 2.599 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451486411 429833895 /nfs/dbraw/zinc/83/38/95/429833895.db2.gz DJTVMURBXZHQGE-NUEKZKHPSA-N 1 0 318.373 2.651 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451500584 429837242 /nfs/dbraw/zinc/83/72/42/429837242.db2.gz YHVJBEQCQPNERO-ZBFHGGJFSA-N 1 0 308.378 2.897 20 5 DFBDRO CCO[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000451524942 429841863 /nfs/dbraw/zinc/84/18/63/429841863.db2.gz FMDRXMARRVIBKY-ABAIWWIYSA-N 1 0 318.377 2.718 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](CC)CC ZINC000184640509 276574789 /nfs/dbraw/zinc/57/47/89/276574789.db2.gz BALYFFXRTIPEQG-OAHLLOKOSA-N 1 0 321.421 2.622 20 5 DFBDRO Cc1cnn(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451554099 429854069 /nfs/dbraw/zinc/85/40/69/429854069.db2.gz ZFSYDUOLQFHCDT-MRXNPFEDSA-N 1 0 314.389 2.979 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451559477 429854663 /nfs/dbraw/zinc/85/46/63/429854663.db2.gz UFSNCTTUSPZKTN-HNNXBMFYSA-N 1 0 308.378 2.850 20 5 DFBDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000451593647 429859545 /nfs/dbraw/zinc/85/95/45/429859545.db2.gz CZDLJFUFGLGLKS-YOEHRIQHSA-N 1 0 324.421 2.852 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@@](F)(c2ccc(F)cc2)C1 ZINC000368526542 429861521 /nfs/dbraw/zinc/86/15/21/429861521.db2.gz INAZPUCSGJELSQ-HNNXBMFYSA-N 1 0 322.315 2.538 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369002213 429906604 /nfs/dbraw/zinc/90/66/04/429906604.db2.gz MVNIKJWFUYDSED-IUODEOHRSA-N 1 0 323.368 2.647 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451700509 429874340 /nfs/dbraw/zinc/87/43/40/429874340.db2.gz GKSNHXVZEOLACM-VNQPRFMTSA-N 1 0 304.390 2.886 20 5 DFBDRO CC[C@@H]([NH2+]CCN1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494472540 429875744 /nfs/dbraw/zinc/87/57/44/429875744.db2.gz HBFHFWUTEHAZTQ-DLBZAZTESA-N 1 0 321.421 2.746 20 5 DFBDRO CN(C(=O)c1cc2ccccc2c2cccnc12)[C@@H]1CC[NH2+]C1 ZINC000179100343 276736826 /nfs/dbraw/zinc/73/68/26/276736826.db2.gz LKWZUMAPDPOYKF-CQSZACIVSA-N 1 0 305.381 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000369366205 429933572 /nfs/dbraw/zinc/93/35/72/429933572.db2.gz LIMQLOAFNLDNSS-LLVKDONJSA-N 1 0 320.780 2.797 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)C(F)F ZINC000574291933 430029528 /nfs/dbraw/zinc/02/95/28/430029528.db2.gz KAQGXGVZRUQSPN-DMDPSCGWSA-N 1 0 300.305 2.576 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562242240 430111592 /nfs/dbraw/zinc/11/15/92/430111592.db2.gz ORFACJHIMFVYNS-CYBMUJFWSA-N 1 0 322.409 2.514 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000580779093 430152434 /nfs/dbraw/zinc/15/24/34/430152434.db2.gz XHJOHWZJEOCTSU-STQMWFEESA-N 1 0 317.389 2.565 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000581026470 430172837 /nfs/dbraw/zinc/17/28/37/430172837.db2.gz DNURRPFLVQRMBB-OLZOCXBDSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000581081745 430177666 /nfs/dbraw/zinc/17/76/66/430177666.db2.gz FDSIYGAYPVGANQ-STQMWFEESA-N 1 0 322.409 2.553 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000562338349 430122708 /nfs/dbraw/zinc/12/27/08/430122708.db2.gz UIBJTCGEHSCSJY-ZDUSSCGKSA-N 1 0 315.373 2.761 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267445290 277025292 /nfs/dbraw/zinc/02/52/92/277025292.db2.gz PVUODRVLHYKSNQ-VCANKDNSSA-N 1 0 305.378 2.693 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000375227031 277177183 /nfs/dbraw/zinc/17/71/83/277177183.db2.gz DNQXLTJZRGGHIJ-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266110359 277328393 /nfs/dbraw/zinc/32/83/93/277328393.db2.gz AMVOGWFKTDOBPH-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1cc(C[NH2+][C@H](CO)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000543836301 430264817 /nfs/dbraw/zinc/26/48/17/430264817.db2.gz LVQHYJHBCKGYMU-OAHLLOKOSA-N 1 0 316.357 2.735 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+]C3(C4CC4)CC3)n2)cc1 ZINC000544415516 430283577 /nfs/dbraw/zinc/28/35/77/430283577.db2.gz LTRWGEWKZVDGLQ-UHFFFAOYSA-N 1 0 300.318 2.677 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000581645117 430227400 /nfs/dbraw/zinc/22/74/00/430227400.db2.gz YUWDPWOOWPNTLQ-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO CS[C@@H](CO)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192886106 277517026 /nfs/dbraw/zinc/51/70/26/277517026.db2.gz HTXJLEOGADBMHO-KMUNFCNLSA-N 1 0 310.419 2.674 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583074702 430361250 /nfs/dbraw/zinc/36/12/50/430361250.db2.gz HAOQRBRPIDAGGV-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568643241 430377731 /nfs/dbraw/zinc/37/77/31/430377731.db2.gz HXPIZRPLOMMZBM-GXTWGEPZSA-N 1 0 307.394 2.694 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOCC(F)(F)F ZINC000569259201 430437052 /nfs/dbraw/zinc/43/70/52/430437052.db2.gz VVMMWOTUOPEQPM-LLVKDONJSA-N 1 0 304.268 2.751 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CCO[C@H](C)C1 ZINC000584211283 430470027 /nfs/dbraw/zinc/47/00/27/430470027.db2.gz QJQWKDDNWKXFGH-LLVKDONJSA-N 1 0 313.785 2.689 20 5 DFBDRO O=C(c1cc2ccccc2c2cccnc12)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638925191 430475275 /nfs/dbraw/zinc/47/52/75/430475275.db2.gz KAVLLYOMALXILB-GASCZTMLSA-N 1 0 317.392 2.964 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1C[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000583748762 430424538 /nfs/dbraw/zinc/42/45/38/430424538.db2.gz WWTZETPDFAPEMD-STQMWFEESA-N 1 0 303.362 2.559 20 5 DFBDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000570010043 430505335 /nfs/dbraw/zinc/50/53/35/430505335.db2.gz PRRVUZXSCPSWDA-RRFJBIMHSA-N 1 0 323.441 2.595 20 5 DFBDRO CC[NH+]1CCC(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000616057558 430583470 /nfs/dbraw/zinc/58/34/70/430583470.db2.gz AMASVVPPAKKWAK-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3c(Cl)cc(Cl)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000553230947 430612129 /nfs/dbraw/zinc/61/21/29/430612129.db2.gz KMEXUAABAVRHAQ-DTORHVGOSA-N 1 0 316.188 2.899 20 5 DFBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000553539254 430619261 /nfs/dbraw/zinc/61/92/61/430619261.db2.gz MNHLHNUFIBDJMP-JTQLQIEISA-N 1 0 319.386 2.677 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572223459 430676940 /nfs/dbraw/zinc/67/69/40/430676940.db2.gz MMHGBFIMNNULMB-CYBMUJFWSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000296870917 278098082 /nfs/dbraw/zinc/09/80/82/278098082.db2.gz AEVPXKQJCBKYBF-BXUZGUMPSA-N 1 0 319.405 2.844 20 5 DFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000194025167 278136104 /nfs/dbraw/zinc/13/61/04/278136104.db2.gz QJQZQRVUJNOHGM-LBPRGKRZSA-N 1 0 311.363 2.830 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C[NH2+]1 ZINC000272562036 288023339 /nfs/dbraw/zinc/02/33/39/288023339.db2.gz LVHGZVRRWLHYEC-ZJUUUORDSA-N 1 0 319.386 2.632 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000572736059 430696680 /nfs/dbraw/zinc/69/66/80/430696680.db2.gz IZNHBXOZWLSGJU-CYBMUJFWSA-N 1 0 322.409 2.698 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129758071 278312266 /nfs/dbraw/zinc/31/22/66/278312266.db2.gz GDFMNSPTKNMIFJ-RNCFNFMXSA-N 1 0 311.769 2.590 20 5 DFBDRO Cc1nnsc1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000572801032 430697284 /nfs/dbraw/zinc/69/72/84/430697284.db2.gz GFFQAZWNLVVYRT-UHFFFAOYSA-N 1 0 304.375 2.919 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180435323 278338032 /nfs/dbraw/zinc/33/80/32/278338032.db2.gz WPMDHSMLZIBWMQ-QWHCGFSZSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066531608 278493506 /nfs/dbraw/zinc/49/35/06/278493506.db2.gz LSENMNMVHRHJHH-CHWSQXEVSA-N 1 0 317.389 2.747 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295833462 279025023 /nfs/dbraw/zinc/02/50/23/279025023.db2.gz ABZPLLUTHZIWMX-DOMZBBRYSA-N 1 0 307.394 2.748 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000353960667 279118814 /nfs/dbraw/zinc/11/88/14/279118814.db2.gz QAAZLDNYALQMCI-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO CCN(CC)[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000359012121 279160874 /nfs/dbraw/zinc/16/08/74/279160874.db2.gz CUNQDRVLIQRVFJ-ILXRZTDVSA-N 1 0 323.441 2.595 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000301603663 279882981 /nfs/dbraw/zinc/88/29/81/279882981.db2.gz LFVRFHCRPJMFBN-TVQRCGJNSA-N 1 0 317.311 3.000 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286445914 279952624 /nfs/dbraw/zinc/95/26/24/279952624.db2.gz SWUMDVJKUCYXEQ-WCQYABFASA-N 1 0 320.349 2.566 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292064152 281022009 /nfs/dbraw/zinc/02/20/09/281022009.db2.gz CXUIZOFSPAASLK-WMLDXEAASA-N 1 0 303.406 2.992 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408171470 288313942 /nfs/dbraw/zinc/31/39/42/288313942.db2.gz JZAYLAYODJFHIT-UONOGXRCSA-N 1 0 304.394 2.670 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363413674 289091153 /nfs/dbraw/zinc/09/11/53/289091153.db2.gz FZJUQAVTFYPEEK-DJIMGWMZSA-N 1 0 301.390 2.511 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414215 289091218 /nfs/dbraw/zinc/09/12/18/289091218.db2.gz LGTVOVNXDVZNSX-BFYDXBDKSA-N 1 0 301.390 2.511 20 5 DFBDRO CC[NH2+]CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415708084 289122113 /nfs/dbraw/zinc/12/21/13/289122113.db2.gz WSWTYUCHLHAITR-UHFFFAOYSA-N 1 0 308.382 2.623 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415763214 289132677 /nfs/dbraw/zinc/13/26/77/289132677.db2.gz NUJRVDJKGUQNTJ-TZMCWYRMSA-N 1 0 320.393 2.796 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000269085056 290181988 /nfs/dbraw/zinc/18/19/88/290181988.db2.gz HQLSOEMMROETBA-ZWNOBZJWSA-N 1 0 310.785 2.564 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000276661955 290234114 /nfs/dbraw/zinc/23/41/14/290234114.db2.gz SBMXHNVZHBRTAE-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO CN1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000436378053 297000345 /nfs/dbraw/zinc/00/03/45/297000345.db2.gz KKNSTYSZWSFPCY-AWEZNQCLSA-N 1 0 311.385 2.993 20 5 DFBDRO CC(C)(C)[NH2+]CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436388592 297000618 /nfs/dbraw/zinc/00/06/18/297000618.db2.gz KXAJGRXVMBTCQY-UHFFFAOYSA-N 1 0 306.288 2.809 20 5 DFBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331523945 294070346 /nfs/dbraw/zinc/07/03/46/294070346.db2.gz DDMDHAVSYMPOGV-VXGBXAGGSA-N 1 0 323.418 2.569 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000157604580 295350903 /nfs/dbraw/zinc/35/09/03/295350903.db2.gz IEILYFMLRKVCKQ-UTUOFQBUSA-N 1 0 321.377 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC[C@@H]1CCOC1 ZINC000158207628 295359959 /nfs/dbraw/zinc/35/99/59/295359959.db2.gz KEJGWQSBRTXHEZ-GJZGRUSLSA-N 1 0 322.405 2.997 20 5 DFBDRO CCCCCNC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411477203 295541815 /nfs/dbraw/zinc/54/18/15/295541815.db2.gz RLTXHXNBVNRQGQ-CYBMUJFWSA-N 1 0 307.394 2.860 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485746 297094891 /nfs/dbraw/zinc/09/48/91/297094891.db2.gz FHDISPXMSDIVFV-CHWSQXEVSA-N 1 0 305.378 2.900 20 5 DFBDRO COc1cc(C[NH+]2CCC([C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000439282941 297122083 /nfs/dbraw/zinc/12/20/83/297122083.db2.gz YQDCWTZILBQWBL-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439690219 297135258 /nfs/dbraw/zinc/13/52/58/297135258.db2.gz AIXGUFJZCMLSDM-INIZCTEOSA-N 1 0 319.405 2.835 20 5 DFBDRO CC1(C)C[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000442879371 297209208 /nfs/dbraw/zinc/20/92/08/297209208.db2.gz AVOSDDSRLXKEIY-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[C@@]1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000442893840 297210598 /nfs/dbraw/zinc/21/05/98/297210598.db2.gz YEZVACPKXKOLJI-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO COC1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444649235 297243308 /nfs/dbraw/zinc/24/33/08/297243308.db2.gz JLPYCSZOWOZBEM-UHFFFAOYSA-N 1 0 318.377 2.861 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680656 297244907 /nfs/dbraw/zinc/24/49/07/297244907.db2.gz GOECJUKIMNGIGD-GFCCVEGCSA-N 1 0 318.377 2.720 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000444768578 297249431 /nfs/dbraw/zinc/24/94/31/297249431.db2.gz UVSBMMPKHGKRMO-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)n1 ZINC000444870364 297254294 /nfs/dbraw/zinc/25/42/94/297254294.db2.gz HVVNPNLGBASIRR-UHFFFAOYSA-N 1 0 304.394 2.893 20 5 DFBDRO CN(C)C1(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000445861254 297269442 /nfs/dbraw/zinc/26/94/42/297269442.db2.gz KVSQZTUMLJQKGH-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000447046360 297293097 /nfs/dbraw/zinc/29/30/97/297293097.db2.gz ZGOXXONZSYLDOW-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447531426 297306970 /nfs/dbraw/zinc/30/69/70/297306970.db2.gz RBFIDEUDBFGJOC-VXGBXAGGSA-N 1 0 321.406 2.830 20 5 DFBDRO CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538647 297307327 /nfs/dbraw/zinc/30/73/27/297307327.db2.gz CGSAZCWFHYUBPX-ILXRZTDVSA-N 1 0 324.425 2.663 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447588021 297309517 /nfs/dbraw/zinc/30/95/17/297309517.db2.gz SIJGHLRBARYUMC-ZOBORPQBSA-N 1 0 322.409 2.678 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cscn2)n1 ZINC000447584126 297309548 /nfs/dbraw/zinc/30/95/48/297309548.db2.gz DYYNKMQEFXPTTG-OLZOCXBDSA-N 1 0 321.406 2.564 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCSCC2)n1 ZINC000447586088 297309617 /nfs/dbraw/zinc/30/96/17/297309617.db2.gz LLJBMUISSSMJOS-QWHCGFSZSA-N 1 0 310.423 2.760 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677584 297312704 /nfs/dbraw/zinc/31/27/04/297312704.db2.gz VDZOEUIBJJGOAX-RYUDHWBXSA-N 1 0 317.393 2.568 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000449073935 297401084 /nfs/dbraw/zinc/40/10/84/297401084.db2.gz JSTCWMMDJSWXBL-CYBMUJFWSA-N 1 0 314.389 2.777 20 5 DFBDRO C[C@H](Cc1ccoc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000449280429 297435534 /nfs/dbraw/zinc/43/55/34/297435534.db2.gz ADRHXDOSFJRIDN-SNVBAGLBSA-N 1 0 300.318 2.785 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513807 297483793 /nfs/dbraw/zinc/48/37/93/297483793.db2.gz ULCRVKPRZXCXMT-PBHICJAKSA-N 1 0 324.421 2.982 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449514972 297484472 /nfs/dbraw/zinc/48/44/72/297484472.db2.gz ZGGZIIGWCMBBHA-ODMBXXLQSA-N 1 0 316.401 2.995 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000449514985 297484598 /nfs/dbraw/zinc/48/45/98/297484598.db2.gz ZHODMWJPJZEUHT-NVXWUHKLSA-N 1 0 304.390 2.790 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449583156 297495055 /nfs/dbraw/zinc/49/50/55/297495055.db2.gz HRLFRMCCHHUUIX-SCXUMTSISA-N 1 0 300.362 2.562 20 5 DFBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449636570 297504000 /nfs/dbraw/zinc/50/40/00/297504000.db2.gz DOSOLGFHOHRQDO-RYUDHWBXSA-N 1 0 318.320 2.835 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000451588343 297840416 /nfs/dbraw/zinc/84/04/16/297840416.db2.gz PFKSQRGELVSKIT-KGLIPLIRSA-N 1 0 306.362 2.725 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451784666 297874820 /nfs/dbraw/zinc/87/48/20/297874820.db2.gz DQXXXZRYFPDVNF-GLQYFDAESA-N 1 0 306.362 2.977 20 5 DFBDRO COC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453216407 298072068 /nfs/dbraw/zinc/07/20/68/298072068.db2.gz DVTSAIGFSQZUMH-UONOGXRCSA-N 1 0 322.409 2.824 20 5 DFBDRO CCC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453258117 298077495 /nfs/dbraw/zinc/07/74/95/298077495.db2.gz OBNNWBFGCVCEOM-HZPDHXFCSA-N 1 0 310.394 2.813 20 5 DFBDRO COCC(COC)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453335359 298084249 /nfs/dbraw/zinc/08/42/49/298084249.db2.gz KKSKDHNRBFGRTH-CJNGLKHVSA-N 1 0 322.405 2.557 20 5 DFBDRO COCC(COC)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453335368 298084318 /nfs/dbraw/zinc/08/43/18/298084318.db2.gz KKSKDHNRBFGRTH-XJKSGUPXSA-N 1 0 322.405 2.557 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[C@H]2CCOC2)n1 ZINC000453341185 298084912 /nfs/dbraw/zinc/08/49/12/298084912.db2.gz COAVRGUOGWIHNP-RRFJBIMHSA-N 1 0 322.409 2.681 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000453365447 298087206 /nfs/dbraw/zinc/08/72/06/298087206.db2.gz NKDVBPBQNCIGLI-GUTXKFCHSA-N 1 0 305.378 2.680 20 5 DFBDRO CCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)COC1 ZINC000453388775 298089449 /nfs/dbraw/zinc/08/94/49/298089449.db2.gz WUYCBMIMUDWOAR-HNNXBMFYSA-N 1 0 304.390 2.932 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000453403298 298090426 /nfs/dbraw/zinc/09/04/26/298090426.db2.gz OEFNLXLAWKQIQX-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453406554 298091196 /nfs/dbraw/zinc/09/11/96/298091196.db2.gz KUENEFIPKNAOFN-DUFGSWQCSA-N 1 0 304.390 2.809 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000453577223 298102749 /nfs/dbraw/zinc/10/27/49/298102749.db2.gz GYUYNIXBIUQYRM-LLVKDONJSA-N 1 0 324.377 2.604 20 5 DFBDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000498366074 300196064 /nfs/dbraw/zinc/19/60/64/300196064.db2.gz VBKCSBHIFAHDOG-JTQLQIEISA-N 1 0 319.386 2.677 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000514856176 300275539 /nfs/dbraw/zinc/27/55/39/300275539.db2.gz UNZXTMZAXIYWRV-KRWDZBQOSA-N 1 0 314.385 2.721 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000516857540 300363913 /nfs/dbraw/zinc/36/39/13/300363913.db2.gz FXQIVBHBDVTAFV-UHOFOFEASA-N 1 0 312.373 2.707 20 5 DFBDRO CC(C)(C)CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517557065 300399290 /nfs/dbraw/zinc/39/92/90/300399290.db2.gz VZWUPQVUVAVBTL-CQSZACIVSA-N 1 0 310.394 2.750 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000532299737 301143452 /nfs/dbraw/zinc/14/34/52/301143452.db2.gz RFFVBKBIKMOCAD-CYBMUJFWSA-N 1 0 307.394 2.883 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536625688 301283805 /nfs/dbraw/zinc/28/38/05/301283805.db2.gz YGYUZRPLLAFTOU-UONOGXRCSA-N 1 0 321.421 2.986 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc[nH]n1 ZINC000536627967 301283907 /nfs/dbraw/zinc/28/39/07/301283907.db2.gz CIZOPBRIGJGQSL-NSHDSACASA-N 1 0 306.391 2.978 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000536873044 301291914 /nfs/dbraw/zinc/29/19/14/301291914.db2.gz VOSQVFKTFBLZRH-OLZOCXBDSA-N 1 0 319.405 2.953 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000537979239 301315380 /nfs/dbraw/zinc/31/53/80/301315380.db2.gz YTUGVSGTWAOELP-STQMWFEESA-N 1 0 305.378 2.563 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOC(C)(C)C ZINC000538524564 301323048 /nfs/dbraw/zinc/32/30/48/301323048.db2.gz BEXYMUVJEHCDHB-GFCCVEGCSA-N 1 0 323.393 2.717 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCN1CCCC1=O ZINC000538712034 301329144 /nfs/dbraw/zinc/32/91/44/301329144.db2.gz WNFWCBLIJYMZOZ-CYBMUJFWSA-N 1 0 305.378 2.518 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC1(C)C ZINC000539075466 301337830 /nfs/dbraw/zinc/33/78/30/301337830.db2.gz FWMNHWPWDDZZRZ-RYUDHWBXSA-N 1 0 305.378 2.948 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000540903919 301373847 /nfs/dbraw/zinc/37/38/47/301373847.db2.gz JSMKRSLGEQBLEY-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000562830129 302007168 /nfs/dbraw/zinc/00/71/68/302007168.db2.gz YKUHYRVZXSJSGI-UHFFFAOYSA-N 1 0 303.309 2.996 20 5 DFBDRO C[C@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562970467 302019618 /nfs/dbraw/zinc/01/96/18/302019618.db2.gz CRIBDGTWYRMUNT-ZDUSSCGKSA-N 1 0 319.405 2.689 20 5 DFBDRO C[C@@H]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000563003135 302024090 /nfs/dbraw/zinc/02/40/90/302024090.db2.gz PVKDCFIAVWXSEH-CHWSQXEVSA-N 1 0 305.378 2.949 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000563820619 302100491 /nfs/dbraw/zinc/10/04/91/302100491.db2.gz IZHFDTPMEZOPTN-NEPJUHHUSA-N 1 0 317.311 2.973 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ncccn1 ZINC000564740629 302155351 /nfs/dbraw/zinc/15/53/51/302155351.db2.gz PEFLIDKNYYHQMM-DZGCQCFKSA-N 1 0 312.373 2.886 20 5 DFBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564860151 302165500 /nfs/dbraw/zinc/16/55/00/302165500.db2.gz OCBPKVQGSOIPIX-ZFWWWQNUSA-N 1 0 322.405 2.750 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000565367865 302221676 /nfs/dbraw/zinc/22/16/76/302221676.db2.gz SEVBHTXBFOJLBC-UHFFFAOYSA-N 1 0 320.393 2.804 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565447075 302225540 /nfs/dbraw/zinc/22/55/40/302225540.db2.gz AEOWGZCCOQQVPR-UONOGXRCSA-N 1 0 321.421 2.935 20 5 DFBDRO C[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000566833615 302314781 /nfs/dbraw/zinc/31/47/81/302314781.db2.gz IBULNKUCEIIARU-CYBMUJFWSA-N 1 0 319.405 2.689 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569343164 302513127 /nfs/dbraw/zinc/51/31/27/302513127.db2.gz VCHQFYFVXNUHQM-BDAKNGLRSA-N 1 0 307.375 2.665 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCn1cccn1)C1CC1 ZINC000126987088 304807451 /nfs/dbraw/zinc/80/74/51/304807451.db2.gz ZFAGYBCGMODZKA-INIZCTEOSA-N 1 0 314.389 2.792 20 5 DFBDRO CCc1ccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000180095917 316026223 /nfs/dbraw/zinc/02/62/23/316026223.db2.gz FHHZTWFGKYBROL-UHFFFAOYSA-N 1 0 302.378 2.879 20 5 DFBDRO Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820944 316074862 /nfs/dbraw/zinc/07/48/62/316074862.db2.gz NIJXXNSFHDKPIV-GFCCVEGCSA-N 1 0 321.402 2.786 20 5 DFBDRO CC(C)C1CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181916306 316078072 /nfs/dbraw/zinc/07/80/72/316078072.db2.gz GRXNDHMPYSJRCN-HNNXBMFYSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182207867 316090027 /nfs/dbraw/zinc/09/00/27/316090027.db2.gz REFDPUZOAXQQII-KFWWJZLASA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN(C)CC(=O)Nc1ccccc1 ZINC000183285836 316136591 /nfs/dbraw/zinc/13/65/91/316136591.db2.gz FYQXDJPBVXGDKG-UHFFFAOYSA-N 1 0 313.357 2.974 20 5 DFBDRO O=[N+]([O-])c1cccc(Cc2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351078328 316461166 /nfs/dbraw/zinc/46/11/66/316461166.db2.gz JYAYZIHYSFBTMM-UHFFFAOYSA-N 1 0 321.296 2.883 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020998 316573590 /nfs/dbraw/zinc/57/35/90/316573590.db2.gz VNKWINNHERSJCE-ZFWWWQNUSA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@H](c1nc(C2([NH3+])CCCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000414625966 316634938 /nfs/dbraw/zinc/63/49/38/316634938.db2.gz JAZMFZRJMJHNMQ-VIFPVBQESA-N 1 0 320.324 2.997 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000414715043 316638472 /nfs/dbraw/zinc/63/84/72/316638472.db2.gz WBITXIRKVDFGBC-YPMHNXCESA-N 1 0 306.366 2.542 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC3CC[NH2+]CC3)cs2)c1 ZINC000414791920 316659373 /nfs/dbraw/zinc/65/93/73/316659373.db2.gz RKQZMHOBYWOCPF-UHFFFAOYSA-N 1 0 318.402 2.560 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421864800 316777048 /nfs/dbraw/zinc/77/70/48/316777048.db2.gz XYXCHJUZZKNEJE-AVGNSLFASA-N 1 0 305.378 2.537 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000421870153 316777924 /nfs/dbraw/zinc/77/79/24/316777924.db2.gz DVDNYCNZAJLMHN-GFCCVEGCSA-N 1 0 323.393 2.670 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000446486490 317013177 /nfs/dbraw/zinc/01/31/77/317013177.db2.gz WGMKHSGENXJUHI-RISCZKNCSA-N 1 0 306.366 2.507 20 5 DFBDRO COc1ccc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000449629862 317045387 /nfs/dbraw/zinc/04/53/87/317045387.db2.gz GRXNBUHBLWBONW-CVEARBPZSA-N 1 0 320.389 2.993 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449673031 317052167 /nfs/dbraw/zinc/05/21/67/317052167.db2.gz NSZKKWHCEWZOQT-YPMHNXCESA-N 1 0 318.295 2.648 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450358402 317084430 /nfs/dbraw/zinc/08/44/30/317084430.db2.gz AOUUZZJKTQJECM-GFCCVEGCSA-N 1 0 317.393 2.639 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453245487 317171720 /nfs/dbraw/zinc/17/17/20/317171720.db2.gz KXSQLGTYAAWHFK-PXAZEXFGSA-N 1 0 318.348 2.988 20 5 DFBDRO CC(C)[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000488047958 317363142 /nfs/dbraw/zinc/36/31/42/317363142.db2.gz XHANDBXQSYUOIL-CQSZACIVSA-N 1 0 318.377 2.508 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000488085328 317365842 /nfs/dbraw/zinc/36/58/42/317365842.db2.gz SFOOUAQLYBBHFK-VXGBXAGGSA-N 1 0 312.373 2.602 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645803 317661713 /nfs/dbraw/zinc/66/17/13/317661713.db2.gz DJKSYAJACYONRL-GXTWGEPZSA-N 1 0 314.769 2.532 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000572829260 318005286 /nfs/dbraw/zinc/00/52/86/318005286.db2.gz NODLRTINMUPURO-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000573188414 318013553 /nfs/dbraw/zinc/01/35/53/318013553.db2.gz GUYUEXVPAZAUKA-OAHLLOKOSA-N 1 0 321.421 2.908 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCn1ccnc1 ZINC000574823611 318043134 /nfs/dbraw/zinc/04/31/34/318043134.db2.gz VJQNUQSGAVDFLQ-HNNXBMFYSA-N 1 0 300.362 2.849 20 5 DFBDRO C[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000574952072 318052482 /nfs/dbraw/zinc/05/24/82/318052482.db2.gz OKUYMHOZFBUXDF-UHFFFAOYSA-N 1 0 316.336 2.548 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204914 318110417 /nfs/dbraw/zinc/11/04/17/318110417.db2.gz KXDAUZPZGGZXGU-QWHCGFSZSA-N 1 0 307.394 2.545 20 5 DFBDRO CN(C)c1ncccc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576412979 318124992 /nfs/dbraw/zinc/12/49/92/318124992.db2.gz XSTOYNAQQYYUFL-OAHLLOKOSA-N 1 0 312.373 2.833 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000576443678 318126372 /nfs/dbraw/zinc/12/63/72/318126372.db2.gz YKVLPNXQMMGAMN-MELADBBJSA-N 1 0 319.405 2.639 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000576471199 318129122 /nfs/dbraw/zinc/12/91/22/318129122.db2.gz DKAVPLOHFOGWTJ-OLZOCXBDSA-N 1 0 302.378 2.919 20 5 DFBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576578389 318135316 /nfs/dbraw/zinc/13/53/16/318135316.db2.gz QCVXJVUZAGFNOJ-HYVNUMGLSA-N 1 0 322.405 2.749 20 5 DFBDRO CN(C)[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000578378556 318257160 /nfs/dbraw/zinc/25/71/60/318257160.db2.gz IHJPXQZRAFTSOV-GOEBONIOSA-N 1 0 321.446 2.609 20 5 DFBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579344769 318323924 /nfs/dbraw/zinc/32/39/24/318323924.db2.gz MKJOPLWRBKCZJH-ZIAGYGMSSA-N 1 0 322.405 2.750 20 5 DFBDRO CCn1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1=O ZINC000579859525 318359707 /nfs/dbraw/zinc/35/97/07/318359707.db2.gz VYSFVJAJARUHPN-OAHLLOKOSA-N 1 0 313.357 2.554 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000579907051 318361477 /nfs/dbraw/zinc/36/14/77/318361477.db2.gz WQIMNSXOUJALDE-DOMZBBRYSA-N 1 0 317.389 2.707 20 5 DFBDRO CC(C)C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000192850370 323248160 /nfs/dbraw/zinc/24/81/60/323248160.db2.gz QJIZKBDZJKXPOU-HNNXBMFYSA-N 1 0 310.394 2.701 20 5 DFBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000193632585 323256550 /nfs/dbraw/zinc/25/65/50/323256550.db2.gz ZXLGLMMUTJXZQZ-UHFFFAOYSA-N 1 0 322.409 2.955 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000389734030 323336231 /nfs/dbraw/zinc/33/62/31/323336231.db2.gz SSQUZIJUXKOISL-GZMMTYOYSA-N 1 0 314.183 2.767 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000389734031 323336354 /nfs/dbraw/zinc/33/63/54/323336354.db2.gz SSQUZIJUXKOISL-KCJUWKMLSA-N 1 0 314.183 2.767 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805081 323337025 /nfs/dbraw/zinc/33/70/25/323337025.db2.gz AFUPIEXAJNGLPW-BBRMVZONSA-N 1 0 312.373 2.922 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000580465411 323390941 /nfs/dbraw/zinc/39/09/41/323390941.db2.gz HPNJKMSTCCBXFR-ZOBUZTSGSA-N 1 0 301.390 2.799 20 5 DFBDRO Cc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000582335237 323651673 /nfs/dbraw/zinc/65/16/73/323651673.db2.gz JGDSTHUQXZWVPC-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584350823 336060895 /nfs/dbraw/zinc/06/08/95/336060895.db2.gz DPSJUZOELASQJN-KRWDZBQOSA-N 1 0 319.405 2.569 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000584467358 337347295 /nfs/dbraw/zinc/34/72/95/337347295.db2.gz IVNDKAWHUREIQO-GOEBONIOSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000584581010 337366829 /nfs/dbraw/zinc/36/68/29/337366829.db2.gz BQNHLLHAORMIFA-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000558296136 500980022 /nfs/dbraw/zinc/98/00/22/500980022.db2.gz RWSMNVBRTLRKPI-ZFWWWQNUSA-N 1 0 315.373 2.725 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426765770 500985974 /nfs/dbraw/zinc/98/59/74/500985974.db2.gz SAZJSCYEHDOASP-KBPBESRZSA-N 1 0 317.389 2.964 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454865 533998206 /nfs/dbraw/zinc/99/82/06/533998206.db2.gz GGOVBWRKPSNFLG-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000299359437 534050255 /nfs/dbraw/zinc/05/02/55/534050255.db2.gz OKYNFRPDSMRYBT-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000302140135 534247044 /nfs/dbraw/zinc/24/70/44/534247044.db2.gz FELBGUZHXQJYOK-FZMZJTMJSA-N 1 0 321.377 2.522 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000450882319 518195388 /nfs/dbraw/zinc/19/53/88/518195388.db2.gz UEBKAOZZPKKMFI-UHFFFAOYSA-N 1 0 323.441 2.665 20 5 DFBDRO Cc1nc(NC2CC[NH+](CC3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000294795170 534486221 /nfs/dbraw/zinc/48/62/21/534486221.db2.gz BTXDGBCSOXZJRL-UHFFFAOYSA-N 1 0 319.409 2.760 20 5 DFBDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347241 523835175 /nfs/dbraw/zinc/83/51/75/523835175.db2.gz KFLSDKKNQAFSAX-ZBFHGGJFSA-N 1 0 321.421 2.665 20 5 DFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C[NH2+]CC2 ZINC000326243846 534776570 /nfs/dbraw/zinc/77/65/70/534776570.db2.gz SSCYEFQTERMTGI-RMKNXTFCSA-N 1 0 323.352 2.892 20 5 DFBDRO Cc1cccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000365053398 524669878 /nfs/dbraw/zinc/66/98/78/524669878.db2.gz LLCBXFHQJADXPB-AWEZNQCLSA-N 1 0 305.378 2.568 20 5 DFBDRO Cc1cccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000365054199 524671453 /nfs/dbraw/zinc/67/14/53/524671453.db2.gz LLCBXFHQJADXPB-CQSZACIVSA-N 1 0 305.378 2.568 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608157 525291532 /nfs/dbraw/zinc/29/15/32/525291532.db2.gz LXISTTJEZVBHNE-OCCSQVGLSA-N 1 0 300.362 2.911 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000367588798 525418968 /nfs/dbraw/zinc/41/89/68/525418968.db2.gz XQHYEFYHFFXDOU-PBHICJAKSA-N 1 0 303.406 2.696 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000156019463 525569042 /nfs/dbraw/zinc/56/90/42/525569042.db2.gz ZNYNKWUBNFPDKY-OCCSQVGLSA-N 1 0 318.377 2.604 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000158178746 525920720 /nfs/dbraw/zinc/92/07/20/525920720.db2.gz POBNPVQAOBULLV-LSDHHAIUSA-N 1 0 322.405 2.997 20 5 DFBDRO CC(C)(CO)[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000293012280 527219355 /nfs/dbraw/zinc/21/93/55/527219355.db2.gz JWHZFWDHIUOLNN-CQSZACIVSA-N 1 0 314.332 2.760 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365029259 527340739 /nfs/dbraw/zinc/34/07/39/527340739.db2.gz XCZWNQZNRCXAQZ-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000157774637 527413809 /nfs/dbraw/zinc/41/38/09/527413809.db2.gz BWQCATQYLUENKO-QGZVFWFLSA-N 1 0 312.373 2.943 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298616236 528111173 /nfs/dbraw/zinc/11/11/73/528111173.db2.gz VAHXVUAEURPCFS-UHFFFAOYSA-N 1 0 319.361 2.803 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000317523948 528223794 /nfs/dbraw/zinc/22/37/94/528223794.db2.gz SNLCNWMTUFOXBT-HOTGVXAUSA-N 1 0 308.378 2.831 20 5 DFBDRO CCOc1cc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301966468 528307769 /nfs/dbraw/zinc/30/77/69/528307769.db2.gz VOXZKARNAXCJMR-GXTWGEPZSA-N 1 0 307.394 2.912 20 5 DFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000302167455 528466794 /nfs/dbraw/zinc/46/67/94/528466794.db2.gz SABHLGUIDSUWHK-CQSZACIVSA-N 1 0 307.398 2.697 20 5 DFBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000302221080 528900194 /nfs/dbraw/zinc/90/01/94/528900194.db2.gz NNCOHBFQKGYUKP-UHFFFAOYSA-N 1 0 302.378 2.919 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000317523947 529011584 /nfs/dbraw/zinc/01/15/84/529011584.db2.gz SNLCNWMTUFOXBT-CVEARBPZSA-N 1 0 308.378 2.831 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294570564 529091624 /nfs/dbraw/zinc/09/16/24/529091624.db2.gz BXTZUGKUVRRBSU-TYNCELHUSA-N 1 0 306.410 2.556 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821143 535019333 /nfs/dbraw/zinc/01/93/33/535019333.db2.gz VEMHHZGDIUNZPH-QWHCGFSZSA-N 1 0 322.409 2.684 20 5 DFBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000361554039 535073556 /nfs/dbraw/zinc/07/35/56/535073556.db2.gz RFEWNOAELXQGKZ-CQSZACIVSA-N 1 0 319.405 2.952 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000261815671 535461459 /nfs/dbraw/zinc/46/14/59/535461459.db2.gz WEMYGUJJTOAYSK-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO CCc1nn(C)c(NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354557215 536182355 /nfs/dbraw/zinc/18/23/55/536182355.db2.gz CKKUXPUABSOVFG-RYUDHWBXSA-N 1 0 309.414 2.566 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000361467338 536419062 /nfs/dbraw/zinc/41/90/62/536419062.db2.gz HSCVQUANJKBAAG-HUUCEWRRSA-N 1 0 322.405 2.845 20 5 DFBDRO COc1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000261630031 536757009 /nfs/dbraw/zinc/75/70/09/536757009.db2.gz CYYDQWWLWPDCHC-UHFFFAOYSA-N 1 0 321.377 2.841 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000820433048 599367257 /nfs/dbraw/zinc/36/72/57/599367257.db2.gz VMXPLHFJWUHYSY-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO COCCOCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278347196 214105050 /nfs/dbraw/zinc/10/50/50/214105050.db2.gz YKIPQNFYJQRNLB-MRXNPFEDSA-N 1 0 308.378 2.615 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278684548 214323947 /nfs/dbraw/zinc/32/39/47/214323947.db2.gz IHRMROGEEUWFIX-PRHODGIISA-N 1 0 304.268 2.881 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000309827525 231105492 /nfs/dbraw/zinc/10/54/92/231105492.db2.gz RFOHZJZWRLBEMX-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000318281530 231167267 /nfs/dbraw/zinc/16/72/67/231167267.db2.gz LKDDPPUKTDUYFL-BDAKNGLRSA-N 1 0 318.299 2.903 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000318611656 231173584 /nfs/dbraw/zinc/17/35/84/231173584.db2.gz SPMZWALVDRLCLL-QMMMGPOBSA-N 1 0 316.283 2.657 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000319366533 231182717 /nfs/dbraw/zinc/18/27/17/231182717.db2.gz UGEDHKBSKIHTGC-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083173132 185215972 /nfs/dbraw/zinc/21/59/72/185215972.db2.gz RJXCBNXOVOLZIZ-LBPRGKRZSA-N 1 0 319.361 2.985 20 5 DFBDRO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000596168229 398346164 /nfs/dbraw/zinc/34/61/64/398346164.db2.gz RDAGPHATBRSFPN-LBPRGKRZSA-N 1 0 311.407 2.630 20 5 DFBDRO COc1cc(NCC2=CC[N@H+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596183791 398350707 /nfs/dbraw/zinc/35/07/07/398350707.db2.gz BWLJDASMALMUIS-UHFFFAOYSA-N 1 0 311.769 2.931 20 5 DFBDRO Cc1cc(N(C)CCN2CCOC(C)(C)C2)c([N+](=O)[O-])s1 ZINC000596214677 398358485 /nfs/dbraw/zinc/35/84/85/398358485.db2.gz JXSHYQIFJYOVJA-UHFFFAOYSA-N 1 0 313.423 2.512 20 5 DFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000596243898 398366214 /nfs/dbraw/zinc/36/62/14/398366214.db2.gz MFPBEVMHLBEVJI-BXUZGUMPSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)C(F)F ZINC000295016818 529624831 /nfs/dbraw/zinc/62/48/31/529624831.db2.gz KCPFHANWBYVGTH-QWRGUYRKSA-N 1 0 308.712 2.742 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCSCC1 ZINC000089984566 185274239 /nfs/dbraw/zinc/27/42/39/185274239.db2.gz UIEHHZGVKSLGGQ-UHFFFAOYSA-N 1 0 323.418 2.671 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596308382 398381733 /nfs/dbraw/zinc/38/17/33/398381733.db2.gz RJHNCNXYASGVDR-GFCCVEGCSA-N 1 0 309.414 2.652 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596307391 398381985 /nfs/dbraw/zinc/38/19/85/398381985.db2.gz LWKOBTDRLKWBGA-SNVBAGLBSA-N 1 0 312.801 2.597 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000090177801 185285123 /nfs/dbraw/zinc/28/51/23/185285123.db2.gz BDVZSTLQWUKSJD-STQMWFEESA-N 1 0 319.405 2.953 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000090518104 185299980 /nfs/dbraw/zinc/29/99/80/185299980.db2.gz BQKMJKHPTCSNSA-INIZCTEOSA-N 1 0 319.405 2.801 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245400304 398384042 /nfs/dbraw/zinc/38/40/42/398384042.db2.gz XWAVLQMULFMHIA-OLZOCXBDSA-N 1 0 305.378 2.633 20 5 DFBDRO CC[C@@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000272832086 210230775 /nfs/dbraw/zinc/23/07/75/210230775.db2.gz LGQDRPKLGTUTNM-BZNIZROVSA-N 1 0 301.346 2.659 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000090539019 185301497 /nfs/dbraw/zinc/30/14/97/185301497.db2.gz VWVVDDRIEXCFGE-SECBINFHSA-N 1 0 312.732 2.935 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCC(C)(C)CC1 ZINC000090552116 185302626 /nfs/dbraw/zinc/30/26/26/185302626.db2.gz KUSUYWZSOACQKQ-UHFFFAOYSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(C)C[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559468 185303314 /nfs/dbraw/zinc/30/33/14/185303314.db2.gz DBDFFJCTRGRWOC-CQSZACIVSA-N 1 0 307.394 2.657 20 5 DFBDRO Cc1cccc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCC2)c1 ZINC000592145983 398391086 /nfs/dbraw/zinc/39/10/86/398391086.db2.gz HTTPSEXEKSLGFZ-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO Cc1cc(N[C@@H](C)CN(C)CCC[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596364253 398394484 /nfs/dbraw/zinc/39/44/84/398394484.db2.gz YZHVDSRDLTVPJP-NSHDSACASA-N 1 0 314.455 2.649 20 5 DFBDRO Cc1ccc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCC2)cc1 ZINC000592187289 398399033 /nfs/dbraw/zinc/39/90/33/398399033.db2.gz IZGHMOHQZKHVPY-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181444687 199298124 /nfs/dbraw/zinc/29/81/24/199298124.db2.gz DMVOOXULOSJECX-NWDGAFQWSA-N 1 0 321.377 2.571 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537317 199313625 /nfs/dbraw/zinc/31/36/25/199313625.db2.gz FUABHYPKDIHGGJ-ZBEGNZNMSA-N 1 0 302.330 2.685 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000286634223 219094452 /nfs/dbraw/zinc/09/44/52/219094452.db2.gz CZGLDXJRGVMZDK-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO C[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCCC1 ZINC000299394007 529830029 /nfs/dbraw/zinc/83/00/29/529830029.db2.gz HKKBSUSCMNPTKE-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596451783 398416390 /nfs/dbraw/zinc/41/63/90/398416390.db2.gz AZWMMYLNAUUAAH-OLZOCXBDSA-N 1 0 322.409 2.604 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000592374519 398417291 /nfs/dbraw/zinc/41/72/91/398417291.db2.gz KHKAQBPDAARKCE-INIZCTEOSA-N 1 0 319.405 2.640 20 5 DFBDRO CC(C)(c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592356984 398414362 /nfs/dbraw/zinc/41/43/62/398414362.db2.gz OQCQTVPTJZMUNT-LBPRGKRZSA-N 1 0 302.334 2.728 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1/C=C\c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356700 398414877 /nfs/dbraw/zinc/41/48/77/398414877.db2.gz FVAOLMHZVOMDBP-QZPNVGJNSA-N 1 0 304.281 2.712 20 5 DFBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000596457619 398417864 /nfs/dbraw/zinc/41/78/64/398417864.db2.gz OTABAHZONNRLAZ-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592521154 398440268 /nfs/dbraw/zinc/44/02/68/398440268.db2.gz VLCRUEXZXNODNM-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO C[N@H+](CCc1cccc(Nc2ncc([N+](=O)[O-])cn2)c1)C1CC1 ZINC000302212795 529933677 /nfs/dbraw/zinc/93/36/77/529933677.db2.gz HLHQZKUFAXTSDP-UHFFFAOYSA-N 1 0 313.361 2.765 20 5 DFBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1nccn1C ZINC000596541364 398442850 /nfs/dbraw/zinc/44/28/50/398442850.db2.gz FOSVANXLDTWYBT-JTQLQIEISA-N 1 0 301.350 2.775 20 5 DFBDRO C[C@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183157842 199547463 /nfs/dbraw/zinc/54/74/63/199547463.db2.gz YVSQPGQKGUCHEU-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000025424685 398441176 /nfs/dbraw/zinc/44/11/76/398441176.db2.gz MBKCDPPHXJZJRH-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC000268878364 398445842 /nfs/dbraw/zinc/44/58/42/398445842.db2.gz HLJMPQFBXWDYLA-DLTWYDFYSA-N 1 0 302.374 2.825 20 5 DFBDRO Cc1cnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596557328 398447003 /nfs/dbraw/zinc/44/70/03/398447003.db2.gz HLVHERDUURCXGD-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272755025 210159974 /nfs/dbraw/zinc/15/99/74/210159974.db2.gz FIAAFSBTJADXSA-GFCCVEGCSA-N 1 0 318.377 2.675 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000026159293 398450735 /nfs/dbraw/zinc/45/07/35/398450735.db2.gz HNRNKWLBKDCNGV-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO Cn1cc(C[NH2+]Cc2ccccn2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000067696994 398451032 /nfs/dbraw/zinc/45/10/32/398451032.db2.gz VAXXJCYEUZUUEC-UHFFFAOYSA-N 1 0 323.356 2.680 20 5 DFBDRO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 ZINC000026486685 398454861 /nfs/dbraw/zinc/45/48/61/398454861.db2.gz WOCHBVHRCSKQDY-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000089580841 398457462 /nfs/dbraw/zinc/45/74/62/398457462.db2.gz LWCDVROEANTGGU-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090053357 398476044 /nfs/dbraw/zinc/47/60/44/398476044.db2.gz WBSSGWAOEDQQTN-DLBZAZTESA-N 1 0 322.405 2.813 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538674 398489047 /nfs/dbraw/zinc/48/90/47/398489047.db2.gz KRSURDUGBIYILO-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000286780767 219162621 /nfs/dbraw/zinc/16/26/21/219162621.db2.gz HIHZFCCMEVQCBZ-YOEHRIQHSA-N 1 0 319.405 2.532 20 5 DFBDRO CCCCNC(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000029927333 398494242 /nfs/dbraw/zinc/49/42/42/398494242.db2.gz NULURYURKJKIQQ-UHFFFAOYSA-N 1 0 319.405 2.723 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)C ZINC000068335009 398496483 /nfs/dbraw/zinc/49/64/83/398496483.db2.gz BYMJFPIVPJLCCM-NSHDSACASA-N 1 0 309.366 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000030148675 398496978 /nfs/dbraw/zinc/49/69/78/398496978.db2.gz VSFXDWWJIOTIGE-NSHDSACASA-N 1 0 309.366 2.518 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC000459530359 299126715 /nfs/dbraw/zinc/12/67/15/299126715.db2.gz RZRQYVKDAAQNAT-YUELXQCFSA-N 1 0 310.419 2.902 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596842536 398511707 /nfs/dbraw/zinc/51/17/07/398511707.db2.gz NKSLBDSHWXXGAB-CYBMUJFWSA-N 1 0 320.393 2.898 20 5 DFBDRO CCN(C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](C)C1 ZINC000596867656 398518632 /nfs/dbraw/zinc/51/86/32/398518632.db2.gz SNFXIZQIDUKYGQ-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000279651339 215033144 /nfs/dbraw/zinc/03/31/44/215033144.db2.gz BVRYZDPIBVEMKC-UHOFOFEASA-N 1 0 318.373 2.651 20 5 DFBDRO C[NH+](C)[C@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccccc1 ZINC000589103237 398526528 /nfs/dbraw/zinc/52/65/28/398526528.db2.gz UKUNPEFLXSUDTO-CYBMUJFWSA-N 1 0 320.780 2.780 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)Cc1c[nH]cn1 ZINC000596912332 398528569 /nfs/dbraw/zinc/52/85/69/398528569.db2.gz FFUIBMACMVISLV-UHFFFAOYSA-N 1 0 303.322 2.544 20 5 DFBDRO Cc1ccccc1C1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCC1 ZINC000593038701 398528667 /nfs/dbraw/zinc/52/86/67/398528667.db2.gz FZDRSSOFHDQXAQ-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000073558298 282525031 /nfs/dbraw/zinc/52/50/31/282525031.db2.gz ZMOOIUCTRAVONV-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000589162591 398531281 /nfs/dbraw/zinc/53/12/81/398531281.db2.gz NPCZIAALPUSASX-RYUDHWBXSA-N 1 0 306.284 2.632 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414086271 295765899 /nfs/dbraw/zinc/76/58/99/295765899.db2.gz ZHRJDRFOJSVDES-GFCCVEGCSA-N 1 0 300.362 2.631 20 5 DFBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000032732554 398536897 /nfs/dbraw/zinc/53/68/97/398536897.db2.gz NSUUTVQMZUPTCL-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1ccccc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000318860129 398539565 /nfs/dbraw/zinc/53/95/65/398539565.db2.gz YDVCMJUBLDHJGA-UHFFFAOYSA-N 1 0 300.358 2.978 20 5 DFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459609131 299146621 /nfs/dbraw/zinc/14/66/21/299146621.db2.gz IQVGCXAJCISTAO-JKIFEVAISA-N 1 0 322.405 2.893 20 5 DFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000320287302 398546513 /nfs/dbraw/zinc/54/65/13/398546513.db2.gz PTOPWBNKDCMMEU-CYBMUJFWSA-N 1 0 322.361 2.521 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000320191191 398545412 /nfs/dbraw/zinc/54/54/12/398545412.db2.gz AGOYVXPSBUDURK-HTQZYQBOSA-N 1 0 302.172 2.895 20 5 DFBDRO COc1cc(CN(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593111103 398548895 /nfs/dbraw/zinc/54/88/95/398548895.db2.gz CISISMGRESJPKV-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CCOc1cc(CN(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593112604 398548716 /nfs/dbraw/zinc/54/87/16/398548716.db2.gz QRVBEDXMBPNPMW-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321591121 398553409 /nfs/dbraw/zinc/55/34/09/398553409.db2.gz JEZPBBQCCMYOMH-CABCVRRESA-N 1 0 318.377 2.733 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322025014 398555416 /nfs/dbraw/zinc/55/54/16/398555416.db2.gz VVYYQWXRVYJTJJ-SWLSCSKDSA-N 1 0 318.377 2.591 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321992604 398555605 /nfs/dbraw/zinc/55/56/05/398555605.db2.gz OUTBTJOAZINNQY-WFASDCNBSA-N 1 0 318.377 2.591 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000589502049 398556929 /nfs/dbraw/zinc/55/69/29/398556929.db2.gz GRKYFSSCTXPXHT-NEPJUHHUSA-N 1 0 306.362 2.859 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC[C@H](C)C2)c1 ZINC000589512934 398558933 /nfs/dbraw/zinc/55/89/33/398558933.db2.gz RIOQHPXJTXIEQJ-LLVKDONJSA-N 1 0 324.402 2.566 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000127044390 185914975 /nfs/dbraw/zinc/91/49/75/185914975.db2.gz DAKYLHPCMXQXCX-OAHLLOKOSA-N 1 0 307.394 2.942 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593209812 398572617 /nfs/dbraw/zinc/57/26/17/398572617.db2.gz IAAYFMBZSRAUFO-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000041671165 398571365 /nfs/dbraw/zinc/57/13/65/398571365.db2.gz UHNHAHYGXWALFC-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593233550 398576902 /nfs/dbraw/zinc/57/69/02/398576902.db2.gz SFESIYMOLIYSAO-ZQIUZPCESA-N 1 0 319.405 2.626 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593232010 398577017 /nfs/dbraw/zinc/57/70/17/398577017.db2.gz KYJJMPFHBNQGLT-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@@H]2CO)o1 ZINC000092470856 398578962 /nfs/dbraw/zinc/57/89/62/398578962.db2.gz HTNRHAYAUGBDDO-GFCCVEGCSA-N 1 0 302.330 2.812 20 5 DFBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000593247406 398580575 /nfs/dbraw/zinc/58/05/75/398580575.db2.gz BDYNNEVFOXMTQB-UHFFFAOYSA-N 1 0 324.356 2.684 20 5 DFBDRO CCC(CC)(CC)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000081219278 282631168 /nfs/dbraw/zinc/63/11/68/282631168.db2.gz OOOFSRNDJIUDCS-CQSZACIVSA-N 1 0 310.394 2.893 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000589939089 398584483 /nfs/dbraw/zinc/58/44/83/398584483.db2.gz OUZBJOAEJSZARB-CMPLNLGQSA-N 1 0 304.268 2.530 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000092621901 398588556 /nfs/dbraw/zinc/58/85/56/398588556.db2.gz OQAXVCLERJICQO-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590083189 398594356 /nfs/dbraw/zinc/59/43/56/398594356.db2.gz DXXOMLZKJFYPGV-BXUZGUMPSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000043148817 398614721 /nfs/dbraw/zinc/61/47/21/398614721.db2.gz GOFDWAOXJNJDCT-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000043347962 398619604 /nfs/dbraw/zinc/61/96/04/398619604.db2.gz MGWFKSJUCPRPSK-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697651 398630553 /nfs/dbraw/zinc/63/05/53/398630553.db2.gz NAFVMPOYIMBZKB-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000590569090 398632725 /nfs/dbraw/zinc/63/27/25/398632725.db2.gz KQRMKMSWESQFSN-ONGXEEELSA-N 1 0 315.320 2.725 20 5 DFBDRO C[NH+](C)C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593459445 398634783 /nfs/dbraw/zinc/63/47/83/398634783.db2.gz ZNMTXLLAKOUQHX-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000093389619 398635656 /nfs/dbraw/zinc/63/56/56/398635656.db2.gz CIOBHXXEKDDNQY-UHFFFAOYSA-N 1 0 314.385 2.940 20 5 DFBDRO Cc1noc(C)c1C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590595298 398636338 /nfs/dbraw/zinc/63/63/38/398636338.db2.gz ZSXMYCGXLVYZJB-LLVKDONJSA-N 1 0 303.362 2.963 20 5 DFBDRO COCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171497555 186169607 /nfs/dbraw/zinc/16/96/07/186169607.db2.gz BAKAFDIEEXOEFY-UHFFFAOYSA-N 1 0 307.394 2.534 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593468382 398638735 /nfs/dbraw/zinc/63/87/35/398638735.db2.gz FMMNQTHNYPSGBG-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CCC[C@@H]([NH2+]CCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177867142 186195730 /nfs/dbraw/zinc/19/57/30/186195730.db2.gz BKBXZPGBYKDUIM-OAHLLOKOSA-N 1 0 307.394 2.940 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414661394 295813185 /nfs/dbraw/zinc/81/31/85/295813185.db2.gz PXCJCGQWTOBQLL-ONXXMXGDSA-N 1 0 318.377 2.650 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414665140 295813336 /nfs/dbraw/zinc/81/33/36/295813336.db2.gz UOHKONHJXGSRHW-WCQYABFASA-N 1 0 306.366 2.542 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191863227 186266501 /nfs/dbraw/zinc/26/65/01/186266501.db2.gz ICGVWRWEXRKPRT-SWLSCSKDSA-N 1 0 308.378 2.503 20 5 DFBDRO CC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000292019253 222785304 /nfs/dbraw/zinc/78/53/04/222785304.db2.gz FDMCIYOFTSMSNY-DZGCQCFKSA-N 1 0 305.378 2.694 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000094135325 398654129 /nfs/dbraw/zinc/65/41/29/398654129.db2.gz LUNLXQHDTCPWTC-LBPRGKRZSA-N 1 0 307.394 2.590 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000290086811 186619724 /nfs/dbraw/zinc/61/97/24/186619724.db2.gz WMUKFWFRFZCFLX-BJJXKVORSA-N 1 0 319.405 2.715 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCC[NH2+]C3)o2)c1 ZINC000414838687 295824450 /nfs/dbraw/zinc/82/44/50/295824450.db2.gz XDOKVCRZGWIGSG-ZDUSSCGKSA-N 1 0 315.373 2.944 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000171951240 198014504 /nfs/dbraw/zinc/01/45/04/198014504.db2.gz FYRAMAGNFGZMAL-LLVKDONJSA-N 1 0 309.366 2.520 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@H]3CCC[NH2+]3)cs2)c1 ZINC000414843616 295825316 /nfs/dbraw/zinc/82/53/16/295825316.db2.gz JUKXGQINLYWLQQ-GFCCVEGCSA-N 1 0 318.402 2.560 20 5 DFBDRO C[NH2+]C[C@@H](C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414839734 295824635 /nfs/dbraw/zinc/82/46/35/295824635.db2.gz MOFITJIEHKHLKG-GFCCVEGCSA-N 1 0 303.362 2.800 20 5 DFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000044951242 398658102 /nfs/dbraw/zinc/65/81/02/398658102.db2.gz DOUDYOHLPLDDQT-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(F)(F)C1 ZINC000277224915 213378819 /nfs/dbraw/zinc/37/88/19/213378819.db2.gz YCGZHKICNRIKRX-SECBINFHSA-N 1 0 313.304 2.699 20 5 DFBDRO CCC[NH2+]CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414864911 295827753 /nfs/dbraw/zinc/82/77/53/295827753.db2.gz DHRIJEHDSPMONB-UHFFFAOYSA-N 1 0 303.362 2.944 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000593605055 398661012 /nfs/dbraw/zinc/66/10/12/398661012.db2.gz FEQITDIEIQWCGQ-LBPRGKRZSA-N 1 0 324.743 2.861 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459745466 299180422 /nfs/dbraw/zinc/18/04/22/299180422.db2.gz FNKPPBMANYRGNX-HNNXBMFYSA-N 1 0 320.389 2.647 20 5 DFBDRO Cc1c(C(=O)N2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000045084003 398662396 /nfs/dbraw/zinc/66/23/96/398662396.db2.gz IPTSQTGLKVYVHM-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459751617 299182104 /nfs/dbraw/zinc/18/21/04/299182104.db2.gz KKTFMYQQYNQJOW-DOTOQJQBSA-N 1 0 304.390 2.968 20 5 DFBDRO COc1ccc(CNCCC[N@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593646359 398664746 /nfs/dbraw/zinc/66/47/46/398664746.db2.gz NWSYPXJVUUAOIL-UHFFFAOYSA-N 1 0 309.410 2.671 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cc1 ZINC000593653125 398665739 /nfs/dbraw/zinc/66/57/39/398665739.db2.gz UALDINMHVZPPHO-GOSISDBHSA-N 1 0 312.369 2.561 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756552 398667140 /nfs/dbraw/zinc/66/71/40/398667140.db2.gz ZOCNDYDXTQRGFY-STQMWFEESA-N 1 0 305.334 2.639 20 5 DFBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459764187 299186028 /nfs/dbraw/zinc/18/60/28/299186028.db2.gz CMSDDLJJAHAMSZ-ADEWGFFLSA-N 1 0 323.780 2.965 20 5 DFBDRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000459764188 299186078 /nfs/dbraw/zinc/18/60/78/299186078.db2.gz CMSDDLJJAHAMSZ-USWWRNFRSA-N 1 0 323.780 2.965 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590776834 398672381 /nfs/dbraw/zinc/67/23/81/398672381.db2.gz JXNCOXWZUBSMHP-CXAGYDPISA-N 1 0 300.358 2.849 20 5 DFBDRO CC(C)c1ccc(CN[C@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000414986452 295844221 /nfs/dbraw/zinc/84/42/21/295844221.db2.gz HIIJQRXYTHJEKY-GFCCVEGCSA-N 1 0 301.337 2.790 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(C)(C)C1 ZINC000072827756 191234580 /nfs/dbraw/zinc/23/45/80/191234580.db2.gz MXZUDESQHHKILS-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(C)(C)C1 ZINC000072827318 191235423 /nfs/dbraw/zinc/23/54/23/191235423.db2.gz CFDPDIYCAAZFNW-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459787935 299193100 /nfs/dbraw/zinc/19/31/00/299193100.db2.gz QOPPVDHGDLGRSH-JLUCKKNBSA-N 1 0 303.362 2.700 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)n2)cc1 ZINC000459788614 299193432 /nfs/dbraw/zinc/19/34/32/299193432.db2.gz QVRCKKACMBDYIF-XBFCOCLRSA-N 1 0 314.345 2.923 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072976477 191260523 /nfs/dbraw/zinc/26/05/23/191260523.db2.gz XNNFPBSZQGFPMU-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO O=C(C[N@H+](C1CC1)C1CCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000103466525 398684838 /nfs/dbraw/zinc/68/48/38/398684838.db2.gz KDWCXWQGYVKOLK-UHFFFAOYSA-N 1 0 303.362 2.940 20 5 DFBDRO CC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173925109 198269628 /nfs/dbraw/zinc/26/96/28/198269628.db2.gz JSPYLAKMLVESPP-NWDGAFQWSA-N 1 0 323.418 2.749 20 5 DFBDRO Cc1c(CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000125264851 282878826 /nfs/dbraw/zinc/87/88/26/282878826.db2.gz GPEUKBKZMCGPLM-ZDUSSCGKSA-N 1 0 321.421 2.538 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000174160580 198299599 /nfs/dbraw/zinc/29/95/99/198299599.db2.gz RCMBRWMKMXZORW-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO Cc1cccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000174186468 198302834 /nfs/dbraw/zinc/30/28/34/198302834.db2.gz ZJSKIXSNUNEXSF-AGUYFDCRSA-N 1 0 317.389 2.648 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597853399 398704792 /nfs/dbraw/zinc/70/47/92/398704792.db2.gz AAAMBAJDFMGAFO-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597853563 398704814 /nfs/dbraw/zinc/70/48/14/398704814.db2.gz CDUCSUJOTFWADY-JTQLQIEISA-N 1 0 311.407 2.507 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593910411 398703097 /nfs/dbraw/zinc/70/30/97/398703097.db2.gz WFEBMOAONJLTRE-IUODEOHRSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597859985 398706255 /nfs/dbraw/zinc/70/62/55/398706255.db2.gz JEZUDNMYLVJZCB-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046374646 398705465 /nfs/dbraw/zinc/70/54/65/398705465.db2.gz ATEMJHHPZOGRHW-LBPRGKRZSA-N 1 0 306.366 2.591 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046374631 398705535 /nfs/dbraw/zinc/70/55/35/398705535.db2.gz VZUAURCIQZAEIT-GFCCVEGCSA-N 1 0 306.366 2.591 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591013091 398714636 /nfs/dbraw/zinc/71/46/36/398714636.db2.gz JSKSUHQWRMRERH-HNNXBMFYSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415293985 295875675 /nfs/dbraw/zinc/87/56/75/295875675.db2.gz JXWUACQHBAYEPY-LBPRGKRZSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061808 398720177 /nfs/dbraw/zinc/72/01/77/398720177.db2.gz JESBRSAAMRIRMW-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921462 398721142 /nfs/dbraw/zinc/72/11/42/398721142.db2.gz FQVHUMAVUKFHAQ-TZMCWYRMSA-N 1 0 319.405 2.687 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597923740 398722307 /nfs/dbraw/zinc/72/23/07/398722307.db2.gz OYWLOZINAGFGSD-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000594021588 398724215 /nfs/dbraw/zinc/72/42/15/398724215.db2.gz WEIIRWUXOICVES-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1cc(NC(=O)NCCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000415418728 295882515 /nfs/dbraw/zinc/88/25/15/295882515.db2.gz PFKWKELKXPCPME-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415506876 295888609 /nfs/dbraw/zinc/88/86/09/295888609.db2.gz SGKYFJYUWJTSJR-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415584487 295891954 /nfs/dbraw/zinc/89/19/54/295891954.db2.gz SRGCWUHMKJVKFC-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415579802 295892020 /nfs/dbraw/zinc/89/20/20/295892020.db2.gz KQMISCKVDNCNLZ-MFKMUULPSA-N 1 0 320.393 2.660 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)c(F)c1 ZINC000591141703 398731054 /nfs/dbraw/zinc/73/10/54/398731054.db2.gz CAOKMBXPJDWCDI-UHFFFAOYSA-N 1 0 322.384 2.831 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N[C@@H]3CCc4nccn4C3)c2c1 ZINC000591141749 398731081 /nfs/dbraw/zinc/73/10/81/398731081.db2.gz ZACLSTMNMSTOKP-GFCCVEGCSA-N 1 0 309.329 2.766 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000591149550 398732474 /nfs/dbraw/zinc/73/24/74/398732474.db2.gz GJXLGSHBLPBEGR-NHYWBVRUSA-N 1 0 300.362 2.895 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594056134 398733790 /nfs/dbraw/zinc/73/37/90/398733790.db2.gz RDPLVQAXFIOTCX-HUUCEWRRSA-N 1 0 318.377 2.733 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000276982731 213217614 /nfs/dbraw/zinc/21/76/14/213217614.db2.gz YNIPMQPMYUOBFK-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO C[N@H+](CCO)C1(CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000074278015 398736375 /nfs/dbraw/zinc/73/63/75/398736375.db2.gz VDOIOIMOAOXNGZ-UHFFFAOYSA-N 1 0 307.394 2.634 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000276663570 283079109 /nfs/dbraw/zinc/07/91/09/283079109.db2.gz SBMXHNVZHBRTAE-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000598041425 398741987 /nfs/dbraw/zinc/74/19/87/398741987.db2.gz UIRLHXHYXUXJNB-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353187 283094930 /nfs/dbraw/zinc/09/49/30/283094930.db2.gz GVQMCCFFIILNGM-CMPLNLGQSA-N 1 0 310.785 2.564 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591270339 398744817 /nfs/dbraw/zinc/74/48/17/398744817.db2.gz RSGHKAOEAQANJI-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281841 398745303 /nfs/dbraw/zinc/74/53/03/398745303.db2.gz OMHWNIOMTHVDHU-TUUVXOQKSA-N 1 0 321.396 2.596 20 5 DFBDRO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000591306253 398746584 /nfs/dbraw/zinc/74/65/84/398746584.db2.gz WKBHGFFFJCYBFH-LBPRGKRZSA-N 1 0 320.393 2.718 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3C[C@H](F)C[NH2+]3)o2)cc1 ZINC000591281626 398745612 /nfs/dbraw/zinc/74/56/12/398745612.db2.gz GDBHCBUIROPGNJ-STQMWFEESA-N 1 0 319.336 2.644 20 5 DFBDRO CCC[NH2+]CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000236822380 202026333 /nfs/dbraw/zinc/02/63/33/202026333.db2.gz BXMXVXCBLASPEJ-UHFFFAOYSA-N 1 0 307.394 2.622 20 5 DFBDRO COc1ccccc1[C@@H]([NH3+])CNc1cccc(OC)c1[N+](=O)[O-] ZINC000591424718 398758416 /nfs/dbraw/zinc/75/84/16/398758416.db2.gz UBCDDQWJOJLBEB-LBPRGKRZSA-N 1 0 317.345 2.724 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]1 ZINC000591434677 398759908 /nfs/dbraw/zinc/75/99/08/398759908.db2.gz JAHIIEOQRMLERA-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO CC1([NH3+])CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000591435406 398759927 /nfs/dbraw/zinc/75/99/27/398759927.db2.gz RQFQCPUJALRVMS-UHFFFAOYSA-N 1 0 303.284 2.931 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000591442460 398761563 /nfs/dbraw/zinc/76/15/63/398761563.db2.gz OPPLEZIQINAEQC-OKILXGFUSA-N 1 0 312.373 2.579 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591441398 398761596 /nfs/dbraw/zinc/76/15/96/398761596.db2.gz AHDQCHLKLUOYGC-QWHCGFSZSA-N 1 0 307.369 2.950 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000591446981 398762948 /nfs/dbraw/zinc/76/29/48/398762948.db2.gz GROSMZYKASDHLG-HOCLYGCPSA-N 1 0 307.369 2.840 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594202810 398764889 /nfs/dbraw/zinc/76/48/89/398764889.db2.gz SGBYYTXALXRXHK-HUUCEWRRSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594202811 398765012 /nfs/dbraw/zinc/76/50/12/398765012.db2.gz SGBYYTXALXRXHK-LSDHHAIUSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000074772844 398765837 /nfs/dbraw/zinc/76/58/37/398765837.db2.gz HNZVFLARSHOTSG-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000081290821 192246115 /nfs/dbraw/zinc/24/61/15/192246115.db2.gz RFEVWJJIWQCTRF-CYBMUJFWSA-N 1 0 323.418 2.651 20 5 DFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000081290663 192246237 /nfs/dbraw/zinc/24/62/37/192246237.db2.gz VRFRNHKKUZNWBS-OAHLLOKOSA-N 1 0 317.389 2.589 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000591510523 398768887 /nfs/dbraw/zinc/76/88/87/398768887.db2.gz YLZOGFVNLIFPKQ-KGLIPLIRSA-N 1 0 317.389 2.520 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000591577238 398772896 /nfs/dbraw/zinc/77/28/96/398772896.db2.gz FVAGLHPFTDRDRQ-GFCCVEGCSA-N 1 0 309.435 2.807 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000591577729 398773195 /nfs/dbraw/zinc/77/31/95/398773195.db2.gz CFLIQRGOMGVJRJ-DVJFUJMWSA-N 1 0 301.390 2.845 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547647 192287349 /nfs/dbraw/zinc/28/73/49/192287349.db2.gz SLYZUNWAYLFPMQ-HNNXBMFYSA-N 1 0 321.421 2.767 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547649 192288371 /nfs/dbraw/zinc/28/83/71/192288371.db2.gz SLYZUNWAYLFPMQ-OAHLLOKOSA-N 1 0 321.421 2.767 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591678350 398779921 /nfs/dbraw/zinc/77/99/21/398779921.db2.gz QAAJRFRKRQNBIY-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)C(C)(C)C ZINC000134422608 283185345 /nfs/dbraw/zinc/18/53/45/283185345.db2.gz IHUJPAXUCQNKQA-HNNXBMFYSA-N 1 0 310.394 2.703 20 5 DFBDRO CC1(C)CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591762993 398785485 /nfs/dbraw/zinc/78/54/85/398785485.db2.gz USPDCQMYBDPXAN-KBPBESRZSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[C@H](C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000591769572 398786219 /nfs/dbraw/zinc/78/62/19/398786219.db2.gz YCZCFNRLADDPNZ-SWLSCSKDSA-N 1 0 323.393 2.574 20 5 DFBDRO C[N@H+](CCC1CC1)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000135264712 283213489 /nfs/dbraw/zinc/21/34/89/283213489.db2.gz JLFKNQAFUHNJBM-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225878 283211424 /nfs/dbraw/zinc/21/14/24/283211424.db2.gz LLIQDCSRIWTZOW-MRXNPFEDSA-N 1 0 322.405 2.593 20 5 DFBDRO CCOc1cc(CN2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276925178 213179098 /nfs/dbraw/zinc/17/90/98/213179098.db2.gz PWIULMRPFBEXKE-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000591849398 398794646 /nfs/dbraw/zinc/79/46/46/398794646.db2.gz NMVNDOBFUOXTMO-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)CC(C)(C)O ZINC000276917511 213174609 /nfs/dbraw/zinc/17/46/09/213174609.db2.gz OKSHCMQGLJYRPX-UHFFFAOYSA-N 1 0 310.394 2.976 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000237179979 202179164 /nfs/dbraw/zinc/17/91/64/202179164.db2.gz JUFKEBALFNBEGE-MRXNPFEDSA-N 1 0 316.357 2.735 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276892405 213159935 /nfs/dbraw/zinc/15/99/35/213159935.db2.gz KHOHYMMAFHUUEG-OAHLLOKOSA-N 1 0 310.394 2.880 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000287602628 283241329 /nfs/dbraw/zinc/24/13/29/283241329.db2.gz YJZVPWXDLFDXAX-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494676 398808988 /nfs/dbraw/zinc/80/89/88/398808988.db2.gz QSRWPRMMHYZXGS-CABCVRRESA-N 1 0 312.373 2.983 20 5 DFBDRO CCC[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000179401748 199029063 /nfs/dbraw/zinc/02/90/63/199029063.db2.gz PAMLXTBUATWXBM-MRXNPFEDSA-N 1 0 321.421 2.764 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594522058 398815939 /nfs/dbraw/zinc/81/59/39/398815939.db2.gz XRWDPKJAGCHXBR-CVEARBPZSA-N 1 0 307.369 2.840 20 5 DFBDRO Cc1cccc(C(C)(C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000179584767 199058893 /nfs/dbraw/zinc/05/88/93/199058893.db2.gz SWRRRNHDORRTNJ-UHFFFAOYSA-N 1 0 315.373 2.590 20 5 DFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000276712048 213061615 /nfs/dbraw/zinc/06/16/15/213061615.db2.gz YOYSDBCNPCCWKN-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598535971 398829110 /nfs/dbraw/zinc/82/91/10/398829110.db2.gz MXIKUAPUXNWRMJ-CMPLNLGQSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000052034692 398830645 /nfs/dbraw/zinc/83/06/45/398830645.db2.gz XTTSGSFITHGXCN-CQSZACIVSA-N 1 0 323.441 2.805 20 5 DFBDRO CC1CC[NH+](CC2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000052472830 398842064 /nfs/dbraw/zinc/84/20/64/398842064.db2.gz VSMLLYMEKHMXIK-UHFFFAOYSA-N 1 0 318.421 2.938 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780197 299274378 /nfs/dbraw/zinc/27/43/78/299274378.db2.gz MHDVFXWTTBBTLM-DGCLKSJQSA-N 1 0 321.377 2.666 20 5 DFBDRO CC(C)(NC(=O)CC[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000598664388 398850595 /nfs/dbraw/zinc/85/05/95/398850595.db2.gz FXSLLVUVZHNRIQ-ZDUSSCGKSA-N 1 0 319.405 2.726 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000076329617 398852032 /nfs/dbraw/zinc/85/20/32/398852032.db2.gz OFWSDMONVLYQDU-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)Cc1ccccc1)C2 ZINC000153138914 283354555 /nfs/dbraw/zinc/35/45/55/283354555.db2.gz KBPQKDBAUCFYDV-INIZCTEOSA-N 1 0 312.369 2.557 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237394844 202252596 /nfs/dbraw/zinc/25/25/96/202252596.db2.gz PFTDBSWSCKRHRK-MLGOLLRUSA-N 1 0 305.378 2.613 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000594921289 398871838 /nfs/dbraw/zinc/87/18/38/398871838.db2.gz KFMAVQDDMUAGFV-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO Cc1c(NC(=O)N(CC[NH+](C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000180676573 199195209 /nfs/dbraw/zinc/19/52/09/199195209.db2.gz VOUPFXLNBBQKGW-UHFFFAOYSA-N 1 0 308.382 2.707 20 5 DFBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594950126 398879600 /nfs/dbraw/zinc/87/96/00/398879600.db2.gz IZIKUHLLOCXYMU-IWUOBAOPSA-N 1 0 320.389 2.639 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000594970856 398883793 /nfs/dbraw/zinc/88/37/93/398883793.db2.gz OIOVBPJLMCABER-CYBMUJFWSA-N 1 0 316.304 2.507 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@@H]3C[C@@H]31)OCCO2 ZINC000594975504 398884889 /nfs/dbraw/zinc/88/48/89/398884889.db2.gz WDMJDOQSKLFRNR-DYEKYZERSA-N 1 0 318.373 2.892 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594985893 398886947 /nfs/dbraw/zinc/88/69/47/398886947.db2.gz CGHPWEXTDNUAGK-SKYCBFMCSA-N 1 0 302.374 2.891 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000594985219 398887230 /nfs/dbraw/zinc/88/72/30/398887230.db2.gz ZIXODSCBWJESLX-ZDUSSCGKSA-N 1 0 309.385 2.944 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000594979073 398885216 /nfs/dbraw/zinc/88/52/16/398885216.db2.gz HRXUZEYJXOJZDE-WBVHZDCISA-N 1 0 314.389 2.829 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccoc2)c([N+](=O)[O-])cc1OC ZINC000594980647 398886286 /nfs/dbraw/zinc/88/62/86/398886286.db2.gz MEVMLTAVXAKHAS-UHFFFAOYSA-N 1 0 306.318 2.537 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000594995654 398888615 /nfs/dbraw/zinc/88/86/15/398888615.db2.gz JQLZEMVQWDKYFS-QGZVFWFLSA-N 1 0 322.405 2.561 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN1Cc1ccccc1 ZINC000594998559 398888682 /nfs/dbraw/zinc/88/86/82/398888682.db2.gz JDWQEKYGRMPSBU-QGZVFWFLSA-N 1 0 311.385 2.959 20 5 DFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468642177 299280606 /nfs/dbraw/zinc/28/06/06/299280606.db2.gz IWZMAQTWPQVMBW-JKOFNFNQSA-N 1 0 319.405 2.891 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000468642115 299280697 /nfs/dbraw/zinc/28/06/97/299280697.db2.gz IBXGSPZSHXYNMV-XCHKQJEOSA-N 1 0 312.373 2.868 20 5 DFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468642179 299280730 /nfs/dbraw/zinc/28/07/30/299280730.db2.gz IWZMAQTWPQVMBW-ZJTSMVRJSA-N 1 0 319.405 2.891 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000595009040 398891209 /nfs/dbraw/zinc/89/12/09/398891209.db2.gz BCWJMCXCNOBEFW-MKBNYLNASA-N 1 0 319.405 2.737 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCCC[C@H]1C ZINC000172823542 283386866 /nfs/dbraw/zinc/38/68/66/283386866.db2.gz YZBPGKQPHLDESK-GFCCVEGCSA-N 1 0 309.414 2.796 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000595018320 398892337 /nfs/dbraw/zinc/89/23/37/398892337.db2.gz MINFGGKEFRNAKU-AGIUHOORSA-N 1 0 319.405 2.879 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1nc(C)no1 ZINC000595013149 398891926 /nfs/dbraw/zinc/89/19/26/398891926.db2.gz ICUUYDZIPONLEF-SNVBAGLBSA-N 1 0 320.349 2.578 20 5 DFBDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000595016435 398892644 /nfs/dbraw/zinc/89/26/44/398892644.db2.gz ZAGOYAFNJMKEJU-OAHLLOKOSA-N 1 0 308.378 2.516 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913979 398892703 /nfs/dbraw/zinc/89/27/03/398892703.db2.gz TVEVBPYBOOCNMG-SECBINFHSA-N 1 0 314.773 2.887 20 5 DFBDRO C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914117 398892921 /nfs/dbraw/zinc/89/29/21/398892921.db2.gz YZZZDIDPCAWAQW-VIFPVBQESA-N 1 0 314.773 2.887 20 5 DFBDRO COc1ccc(CN(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000077277063 398894815 /nfs/dbraw/zinc/89/48/15/398894815.db2.gz KPTXWDWXPMVSFL-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000595031862 398894947 /nfs/dbraw/zinc/89/49/47/398894947.db2.gz CZOUCOZFRYRBMA-GFCCVEGCSA-N 1 0 308.378 2.807 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000595037791 398895968 /nfs/dbraw/zinc/89/59/68/398895968.db2.gz ILYHXMUTNPOTCF-IAQYHMDHSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595058444 398899026 /nfs/dbraw/zinc/89/90/26/398899026.db2.gz BOTGOWXFXZAMKM-BIFQWPCQSA-N 1 0 310.419 2.935 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000595052023 398897980 /nfs/dbraw/zinc/89/79/80/398897980.db2.gz PPWQLSOSVFQDKN-JMSVASOKSA-N 1 0 308.378 2.805 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595060271 398899437 /nfs/dbraw/zinc/89/94/37/398899437.db2.gz LYFOKQGFMRSZBG-JGGQBBKZSA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595060312 398899606 /nfs/dbraw/zinc/89/96/06/398899606.db2.gz GNCSMDOXYGOREF-JWZBEHFJSA-N 1 0 322.405 2.812 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595087124 398903478 /nfs/dbraw/zinc/90/34/78/398903478.db2.gz BDKXNBRURKDPDS-AAEUAGOBSA-N 1 0 308.378 2.663 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595070553 398901881 /nfs/dbraw/zinc/90/18/81/398901881.db2.gz YAVSCBQOQOWLDJ-MFKMUULPSA-N 1 0 300.305 2.978 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280981867 216002777 /nfs/dbraw/zinc/00/27/77/216002777.db2.gz JBZUYRKAJDTTDW-WHEQGISXSA-N 1 0 324.446 2.807 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000598985311 398903264 /nfs/dbraw/zinc/90/32/64/398903264.db2.gz MZIGUSZQDABMTG-OAHLLOKOSA-N 1 0 320.370 2.976 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cncc(C)n1 ZINC000595090349 398903845 /nfs/dbraw/zinc/90/38/45/398903845.db2.gz NQCDKWDWIMVJGB-LBPRGKRZSA-N 1 0 316.361 2.595 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000598989045 398904215 /nfs/dbraw/zinc/90/42/15/398904215.db2.gz YTPUYZVTYWOTDS-CYBMUJFWSA-N 1 0 313.348 2.722 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)c(F)c1 ZINC000598989550 398904312 /nfs/dbraw/zinc/90/43/12/398904312.db2.gz LQMGIBISXKPYSK-INIZCTEOSA-N 1 0 316.332 2.965 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000470184117 299292950 /nfs/dbraw/zinc/29/29/50/299292950.db2.gz FUWPIMHYQRXKOF-UZGISAJGSA-N 1 0 317.389 2.728 20 5 DFBDRO CCCN1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094130 398904781 /nfs/dbraw/zinc/90/47/81/398904781.db2.gz DOENBEARLUDXNF-IAGOWNOFSA-N 1 0 317.433 2.990 20 5 DFBDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595107648 398906289 /nfs/dbraw/zinc/90/62/89/398906289.db2.gz PAWUGXRVUJPGMR-MGPQQGTHSA-N 1 0 322.409 2.680 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000281004821 216015488 /nfs/dbraw/zinc/01/54/88/216015488.db2.gz YBBPAESHNNPHFR-UXLLHSPISA-N 1 0 322.405 2.671 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCCC23CC3)c([N+](=O)[O-])cc1O ZINC000599016067 398908175 /nfs/dbraw/zinc/90/81/75/398908175.db2.gz JEHPGNZWAYJCDM-LBPRGKRZSA-N 1 0 306.362 2.979 20 5 DFBDRO COC(=O)CC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599025962 398909865 /nfs/dbraw/zinc/90/98/65/398909865.db2.gz GENCAOGVJXWRRN-UHFFFAOYSA-N 1 0 320.389 2.849 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599039361 398911405 /nfs/dbraw/zinc/91/14/05/398911405.db2.gz XILSHAYQNYHBTC-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225710 398911573 /nfs/dbraw/zinc/91/15/73/398911573.db2.gz NNLVLTQTQRQKRC-ZBFHGGJFSA-N 1 0 317.389 2.589 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599041900 398911638 /nfs/dbraw/zinc/91/16/38/398911638.db2.gz XZIFTRCLFZPOQF-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO COc1cc(C[NH2+]CC2(OC)CCCCC2)c([N+](=O)[O-])cc1O ZINC000187453165 200114649 /nfs/dbraw/zinc/11/46/49/200114649.db2.gz OJOGCRQBHKIEDJ-UHFFFAOYSA-N 1 0 324.377 2.748 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCCOC2)n1 ZINC000599054578 398913772 /nfs/dbraw/zinc/91/37/72/398913772.db2.gz CCIDRCSSRFIVEA-QLFBSQMISA-N 1 0 322.409 2.681 20 5 DFBDRO CC[C@@]1(CO)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187620231 200135262 /nfs/dbraw/zinc/13/52/62/200135262.db2.gz BSGIHPQRRXYOGG-QGZVFWFLSA-N 1 0 322.405 2.848 20 5 DFBDRO CC[C@]1(CO)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000187620212 200135876 /nfs/dbraw/zinc/13/58/76/200135876.db2.gz BSGIHPQRRXYOGG-KRWDZBQOSA-N 1 0 322.405 2.848 20 5 DFBDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595248378 398912709 /nfs/dbraw/zinc/91/27/09/398912709.db2.gz FFQQTWAZSLZPMV-HNNXBMFYSA-N 1 0 323.352 2.719 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595258908 398913224 /nfs/dbraw/zinc/91/32/24/398913224.db2.gz WBFKFVTYJZVTPQ-MLGOLLRUSA-N 1 0 319.405 2.883 20 5 DFBDRO CC[C@H](NC(=O)NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595268249 398914500 /nfs/dbraw/zinc/91/45/00/398914500.db2.gz GIRTZHSAVCERFI-AWEZNQCLSA-N 1 0 320.393 2.617 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000595292166 398916863 /nfs/dbraw/zinc/91/68/63/398916863.db2.gz WAWFRTOIPWPXRU-QDMKHBRRSA-N 1 0 301.390 2.763 20 5 DFBDRO C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000237544663 202277989 /nfs/dbraw/zinc/27/79/89/202277989.db2.gz IJWDXKWISLMZPW-OCCSQVGLSA-N 1 0 317.389 2.510 20 5 DFBDRO CC[C@H](NC(=O)c1coc(C[NH3+])c1)c1cccc([N+](=O)[O-])c1 ZINC000187979486 200186218 /nfs/dbraw/zinc/18/62/18/200186218.db2.gz QZHNGXQORSCEIF-AWEZNQCLSA-N 1 0 303.318 2.528 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599078796 398917769 /nfs/dbraw/zinc/91/77/69/398917769.db2.gz BGOXCIYHJSDTPE-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000188101789 200193700 /nfs/dbraw/zinc/19/37/00/200193700.db2.gz LGAJRMBGMIAAJY-LGVMCUBASA-N 1 0 318.373 2.739 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595300197 398918471 /nfs/dbraw/zinc/91/84/71/398918471.db2.gz BBUZQLJDGNMAHM-GFCCVEGCSA-N 1 0 318.352 2.847 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000189006022 283482992 /nfs/dbraw/zinc/48/29/92/283482992.db2.gz UQEZOJHARXVYMZ-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000599088555 398919231 /nfs/dbraw/zinc/91/92/31/398919231.db2.gz FYVWYMXOYGNQHB-NSHDSACASA-N 1 0 301.337 2.751 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237666417 202323550 /nfs/dbraw/zinc/32/35/50/202323550.db2.gz DFMOBQOWEBCUJD-OAHLLOKOSA-N 1 0 305.378 2.541 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599093456 398920111 /nfs/dbraw/zinc/92/01/11/398920111.db2.gz TWAJTVAFGADUGN-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](CCCF)CC1 ZINC000599094881 398920560 /nfs/dbraw/zinc/92/05/60/398920560.db2.gz ZWIPUDANXHIGGF-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000237778295 202352649 /nfs/dbraw/zinc/35/26/49/202352649.db2.gz BQWBCOIQATXJIW-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+](CCO)CCc1ccccc1 ZINC000595317131 398921954 /nfs/dbraw/zinc/92/19/54/398921954.db2.gz DKCOCIPCPKDFKK-UHFFFAOYSA-N 1 0 318.348 2.771 20 5 DFBDRO Cc1noc(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595327664 398922439 /nfs/dbraw/zinc/92/24/39/398922439.db2.gz QFDBKRRYQMWUBY-AWEZNQCLSA-N 1 0 301.346 2.956 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127975 398925459 /nfs/dbraw/zinc/92/54/59/398925459.db2.gz SPBWUCDERQPXCA-CQSZACIVSA-N 1 0 321.425 2.939 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000188833648 200310060 /nfs/dbraw/zinc/31/00/60/200310060.db2.gz XPAFMBQPMHUNNI-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599139407 398927525 /nfs/dbraw/zinc/92/75/25/398927525.db2.gz NUJOJKUXZGPUJI-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1cccn1)CCCC2 ZINC000417308217 296008708 /nfs/dbraw/zinc/00/87/08/296008708.db2.gz HQKOZIZWENENFB-MRXNPFEDSA-N 1 0 300.362 2.849 20 5 DFBDRO CC(C)NC(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306971 296008613 /nfs/dbraw/zinc/00/86/13/296008613.db2.gz DDAAXCBHXYVVJZ-INIZCTEOSA-N 1 0 319.405 2.867 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189201980 200363126 /nfs/dbraw/zinc/36/31/26/200363126.db2.gz PXLWWXOUBBWEIR-SJORKVTESA-N 1 0 320.389 2.519 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000595387022 398930950 /nfs/dbraw/zinc/93/09/50/398930950.db2.gz MRJTZLNSDFQNBS-YOEHRIQHSA-N 1 0 320.389 2.611 20 5 DFBDRO CN1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000417312413 296009040 /nfs/dbraw/zinc/00/90/40/296009040.db2.gz NQZGDXCRPJUKDF-CZUORRHYSA-N 1 0 317.389 2.573 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCOC1 ZINC000595403837 398932783 /nfs/dbraw/zinc/93/27/83/398932783.db2.gz JKAVUFGFEVEIKB-YOEHRIQHSA-N 1 0 320.389 2.611 20 5 DFBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803956 299306368 /nfs/dbraw/zinc/30/63/68/299306368.db2.gz KHBXQMUKUDQQHN-NEPJUHHUSA-N 1 0 302.330 2.810 20 5 DFBDRO CC[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[NH2+]1 ZINC000599178851 398935282 /nfs/dbraw/zinc/93/52/82/398935282.db2.gz KUXCMJWTELKQBD-DTWKUNHWSA-N 1 0 318.299 2.585 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000417352827 296013087 /nfs/dbraw/zinc/01/30/87/296013087.db2.gz HERMPEYHLNSDOL-GFCCVEGCSA-N 1 0 307.394 2.738 20 5 DFBDRO CC[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178170 398935493 /nfs/dbraw/zinc/93/54/93/398935493.db2.gz BXSGHWCBUPYJSB-WCQYABFASA-N 1 0 300.362 2.720 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccccc1[N+](=O)[O-] ZINC000595423176 398935536 /nfs/dbraw/zinc/93/55/36/398935536.db2.gz MJJGZLPYODIRQL-NZBPQXDJSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442196 398939323 /nfs/dbraw/zinc/93/93/23/398939323.db2.gz QCDODXNOQNKGAV-MLGOLLRUSA-N 1 0 318.348 2.988 20 5 DFBDRO CC1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000595466837 398944392 /nfs/dbraw/zinc/94/43/92/398944392.db2.gz NPZQEONLTOSORH-INIZCTEOSA-N 1 0 324.352 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504403 398951828 /nfs/dbraw/zinc/95/18/28/398951828.db2.gz IPMOWWMNUOKHEY-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275946068 212596366 /nfs/dbraw/zinc/59/63/66/212596366.db2.gz ZATDGQYAZUNQHT-GFCCVEGCSA-N 1 0 307.394 2.788 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000595514017 398954960 /nfs/dbraw/zinc/95/49/60/398954960.db2.gz KCCZQTJREILMLW-FMKPAKJESA-N 1 0 308.353 2.859 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2[C@@H]1c1ccccc1 ZINC000078419998 398955156 /nfs/dbraw/zinc/95/51/56/398955156.db2.gz SPIZBMHDKQSHRQ-VYDXJSESSA-N 1 0 324.384 2.729 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000471962027 299317256 /nfs/dbraw/zinc/31/72/56/299317256.db2.gz ZEDMRCYVINNNDF-HNNXBMFYSA-N 1 0 319.405 2.761 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000078504975 398961488 /nfs/dbraw/zinc/96/14/88/398961488.db2.gz ZGONFIUBMJRJAR-TXEJJXNPSA-N 1 0 311.357 2.645 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078506267 398961997 /nfs/dbraw/zinc/96/19/97/398961997.db2.gz ATKILCWJYICNGG-HNNXBMFYSA-N 1 0 312.373 2.701 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCCO)cs2)c1 ZINC000193256686 201014936 /nfs/dbraw/zinc/01/49/36/201014936.db2.gz PJFKOOZZSHRWOB-UHFFFAOYSA-N 1 0 307.375 2.580 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193229876 201009160 /nfs/dbraw/zinc/00/91/60/201009160.db2.gz LRHHKGZTENUUCR-IUODEOHRSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000193605710 201085995 /nfs/dbraw/zinc/08/59/95/201085995.db2.gz OSCAJMJKBGLLPL-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1 ZINC000193926311 201146710 /nfs/dbraw/zinc/14/67/10/201146710.db2.gz SXXLJMOHYUZXSI-QWHCGFSZSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000193921508 201146731 /nfs/dbraw/zinc/14/67/31/201146731.db2.gz GTFVTLWPIKLCER-QWHCGFSZSA-N 1 0 305.378 2.565 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000194343366 201205736 /nfs/dbraw/zinc/20/57/36/201205736.db2.gz SPIKAATYGBEPMT-UHFFFAOYSA-N 1 0 323.368 2.727 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194468565 201232909 /nfs/dbraw/zinc/23/29/09/201232909.db2.gz KSUFBNQPYZJDDH-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000195498771 201395558 /nfs/dbraw/zinc/39/55/58/201395558.db2.gz JYQGYCAZKVYGOT-IUODEOHRSA-N 1 0 305.378 2.726 20 5 DFBDRO C[C@]1(C2CC2)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616327 399003044 /nfs/dbraw/zinc/00/30/44/399003044.db2.gz AWRPJFHGIVTPOU-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)cc1[N+](=O)[O-] ZINC000271838364 209258495 /nfs/dbraw/zinc/25/84/95/209258495.db2.gz YUISMQPCEBXOAJ-GXTWGEPZSA-N 1 0 310.394 2.730 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417819157 296054551 /nfs/dbraw/zinc/05/45/51/296054551.db2.gz BJVHSARVWMJNJK-UBHSHLNASA-N 1 0 320.393 2.533 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)(C)C)cc1[N+](=O)[O-] ZINC000271838376 209258512 /nfs/dbraw/zinc/25/85/12/209258512.db2.gz YUISMQPCEBXOAJ-TZMCWYRMSA-N 1 0 310.394 2.730 20 5 DFBDRO CC[C@H](NC(=O)N[C@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417848780 296057820 /nfs/dbraw/zinc/05/78/20/296057820.db2.gz KVUWKTSTWLGUDH-DOMZBBRYSA-N 1 0 322.409 2.863 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848827 296057826 /nfs/dbraw/zinc/05/78/26/296057826.db2.gz KZTSWMDLYSHOBY-GXTWGEPZSA-N 1 0 322.409 2.781 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000417857233 296058459 /nfs/dbraw/zinc/05/84/59/296058459.db2.gz UAMIBUPTOCTCEB-TZMCWYRMSA-N 1 0 322.409 2.637 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595638998 399014706 /nfs/dbraw/zinc/01/47/06/399014706.db2.gz QRXJUOZYJOZMEZ-JSGCOSHPSA-N 1 0 310.394 2.749 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(CN(C3CC3)C3CC3)o2)cc1 ZINC000599594021 399024137 /nfs/dbraw/zinc/02/41/37/399024137.db2.gz IOHAPGISDPUDSX-UHFFFAOYSA-N 1 0 300.318 2.772 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C1CC1)C1CC1 ZINC000599599085 399025931 /nfs/dbraw/zinc/02/59/31/399025931.db2.gz IKAPGKYBOSNGGI-UHFFFAOYSA-N 1 0 303.362 2.859 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599601181 399027404 /nfs/dbraw/zinc/02/74/04/399027404.db2.gz JVKSWNTYTXNEFX-CQSZACIVSA-N 1 0 320.393 2.673 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595680334 399031973 /nfs/dbraw/zinc/03/19/73/399031973.db2.gz ZMPRKHJDGDCHSY-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673021 193089081 /nfs/dbraw/zinc/08/90/81/193089081.db2.gz PUCNCOZQGPEPCS-MNOVXSKESA-N 1 0 311.769 2.523 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633432 399035711 /nfs/dbraw/zinc/03/57/11/399035711.db2.gz LYRSPFJCUZCOES-JMALDWJISA-N 1 0 322.430 2.950 20 5 DFBDRO Cc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092046789 193147259 /nfs/dbraw/zinc/14/72/59/193147259.db2.gz ONNWKUMVWFBBGA-INIZCTEOSA-N 1 0 303.406 2.963 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255417205 283878250 /nfs/dbraw/zinc/87/82/50/283878250.db2.gz QYAUGUASUHAATR-QIAWRQBBSA-N 1 0 317.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CCCF)CC1 ZINC000599669629 399053714 /nfs/dbraw/zinc/05/37/14/399053714.db2.gz MZIKOYGMXHUMPH-UHFFFAOYSA-N 1 0 315.776 2.725 20 5 DFBDRO CCC(O)(CC)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000599673110 399054526 /nfs/dbraw/zinc/05/45/26/399054526.db2.gz KBNHYJISKHMKJX-UHFFFAOYSA-N 1 0 307.350 2.719 20 5 DFBDRO CCC[NH2+]CCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418471967 296098608 /nfs/dbraw/zinc/09/86/08/296098608.db2.gz LFHATVNANSWZKW-UHFFFAOYSA-N 1 0 322.409 2.514 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599688304 399064093 /nfs/dbraw/zinc/06/40/93/399064093.db2.gz CFRCKRXMOQKFIS-DABQJJPHSA-N 1 0 306.362 2.757 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265086560 283980983 /nfs/dbraw/zinc/98/09/83/283980983.db2.gz SQYMWYWVYIJZGT-WFASDCNBSA-N 1 0 318.373 2.931 20 5 DFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000058230978 399077112 /nfs/dbraw/zinc/07/71/12/399077112.db2.gz UEDJAYXYNUTRDU-KGLIPLIRSA-N 1 0 319.405 2.516 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000419002524 296123832 /nfs/dbraw/zinc/12/38/32/296123832.db2.gz BSRYAVHFDHFBCW-UHFFFAOYSA-N 1 0 301.293 2.702 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419314736 296134152 /nfs/dbraw/zinc/13/41/52/296134152.db2.gz IQFGNIMOXNQRKN-QWHCGFSZSA-N 1 0 305.378 2.608 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419368118 296136784 /nfs/dbraw/zinc/13/67/84/296136784.db2.gz FLICKRMSKKTABR-AVGNSLFASA-N 1 0 305.378 2.818 20 5 DFBDRO C[C@@H]1[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000419353076 296136110 /nfs/dbraw/zinc/13/61/10/296136110.db2.gz KSHFXUROMQMXKX-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419368121 296136855 /nfs/dbraw/zinc/13/68/55/296136855.db2.gz FLICKRMSKKTABR-YNEHKIRRSA-N 1 0 305.378 2.818 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419371990 296137317 /nfs/dbraw/zinc/13/73/17/296137317.db2.gz LWXVIXNLLXRIQK-FVCCEPFGSA-N 1 0 305.378 2.898 20 5 DFBDRO COc1cc(CN(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000419375334 296137714 /nfs/dbraw/zinc/13/77/14/296137714.db2.gz QFWJSCTYTIHIKU-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000059394370 399110531 /nfs/dbraw/zinc/11/05/31/399110531.db2.gz PMNZSEQZXNZKCB-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000059386354 399110750 /nfs/dbraw/zinc/11/07/50/399110750.db2.gz LEPZUHGTONQNFH-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419382971 296138506 /nfs/dbraw/zinc/13/85/06/296138506.db2.gz ZOQBWBIHBVVWPT-TUAOUCFPSA-N 1 0 321.377 2.518 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000600678635 399115587 /nfs/dbraw/zinc/11/55/87/399115587.db2.gz NRJWFIXATPVVRM-CZUORRHYSA-N 1 0 303.406 2.790 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683702 399116478 /nfs/dbraw/zinc/11/64/78/399116478.db2.gz XSSLOKXUOSVHBN-UGQVUOCMSA-N 1 0 303.406 2.646 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccsc3)C2)nc1 ZINC000093534833 193265921 /nfs/dbraw/zinc/26/59/21/193265921.db2.gz KFIKGMZMQZCXRX-GFCCVEGCSA-N 1 0 304.375 2.738 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccs3)C2)nc1 ZINC000093534326 193265930 /nfs/dbraw/zinc/26/59/30/193265930.db2.gz CIMVLKUAENZCFZ-LLVKDONJSA-N 1 0 304.375 2.738 20 5 DFBDRO CCc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534423 193266355 /nfs/dbraw/zinc/26/63/55/193266355.db2.gz NJLBMLFCMFSJBL-LBPRGKRZSA-N 1 0 316.361 2.832 20 5 DFBDRO COCCCOC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093561369 193268569 /nfs/dbraw/zinc/26/85/69/193268569.db2.gz XINJILREMLXNRM-UHFFFAOYSA-N 1 0 322.405 2.921 20 5 DFBDRO CNC(=O)CCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093717830 193297254 /nfs/dbraw/zinc/29/72/54/193297254.db2.gz ZXJBKMMZQDBYGW-UHFFFAOYSA-N 1 0 307.394 2.676 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600725611 399125449 /nfs/dbraw/zinc/12/54/49/399125449.db2.gz JUUGXYRANCHKMD-UWVGGRQHSA-N 1 0 323.340 2.615 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000094098143 193344547 /nfs/dbraw/zinc/34/45/47/193344547.db2.gz PNLPDJFFDRGQEL-CQSZACIVSA-N 1 0 319.405 2.686 20 5 DFBDRO Cc1cc(C(=O)NCCC[NH2+]C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000419906903 296151230 /nfs/dbraw/zinc/15/12/30/296151230.db2.gz DKDLUUPQCCGNJC-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@H]2CC2(C)C)c1 ZINC000595908321 399130625 /nfs/dbraw/zinc/13/06/25/399130625.db2.gz HJABWVPUPPMCEF-CYBMUJFWSA-N 1 0 306.362 2.859 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000263871448 203611177 /nfs/dbraw/zinc/61/11/77/203611177.db2.gz GEWLBTAVWLGZTE-LLVKDONJSA-N 1 0 319.361 2.801 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000595908325 399131597 /nfs/dbraw/zinc/13/15/97/399131597.db2.gz HMWKGWYGIQISFA-GFCCVEGCSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1nn(C)c(NC2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000080247750 399131716 /nfs/dbraw/zinc/13/17/16/399131716.db2.gz OPTOIEKFAYOPOM-UHFFFAOYSA-N 1 0 321.425 2.846 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000263986660 203666508 /nfs/dbraw/zinc/66/65/08/203666508.db2.gz MEZDKKAETCQFJW-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO CC12CC(C1)C[N@@H+]2Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000595914623 399133210 /nfs/dbraw/zinc/13/32/10/399133210.db2.gz FKBQNHZUBZMQAV-UHFFFAOYSA-N 1 0 300.318 2.629 20 5 DFBDRO CCOC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000060483804 399133324 /nfs/dbraw/zinc/13/33/24/399133324.db2.gz HZWINPYBNVHULV-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420179236 296160683 /nfs/dbraw/zinc/16/06/83/296160683.db2.gz BWAQCZQIFURMEP-AAEUAGOBSA-N 1 0 300.362 2.707 20 5 DFBDRO COc1ccc([C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000341010856 284229816 /nfs/dbraw/zinc/22/98/16/284229816.db2.gz IKXQCRXFMIJHJA-OAHLLOKOSA-N 1 0 318.377 2.824 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420186074 296161169 /nfs/dbraw/zinc/16/11/69/296161169.db2.gz KUDIFUJAOZAJNG-LLVKDONJSA-N 1 0 318.402 2.764 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[C@H]1[NH3+] ZINC000420186254 296161215 /nfs/dbraw/zinc/16/12/15/296161215.db2.gz LXLNYUHLGYPKBV-ZWNOBZJWSA-N 1 0 318.402 2.892 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000420188373 296161228 /nfs/dbraw/zinc/16/12/28/296161228.db2.gz OKOGLXWETSSNHW-ZDUSSCGKSA-N 1 0 322.409 2.518 20 5 DFBDRO CCN(CC[NH3+])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000600771951 399141294 /nfs/dbraw/zinc/14/12/94/399141294.db2.gz CTJXZCMVFKCAEZ-UHFFFAOYSA-N 1 0 319.361 2.644 20 5 DFBDRO CCCN(c1nccc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[NH2+]C1 ZINC000420209423 296162414 /nfs/dbraw/zinc/16/24/14/296162414.db2.gz GOCAOQQNCAKHOH-CQSZACIVSA-N 1 0 300.362 2.721 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420194809 296161772 /nfs/dbraw/zinc/16/17/72/296161772.db2.gz KFJPFPFAGDPSAU-PSASIEDQSA-N 1 0 301.293 2.736 20 5 DFBDRO C[NH2+]CCC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420226164 296163553 /nfs/dbraw/zinc/16/35/53/296163553.db2.gz LESKUPQMMPPHLI-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420233525 296164497 /nfs/dbraw/zinc/16/44/97/296164497.db2.gz GADGNTKXWVGJDG-BDAKNGLRSA-N 1 0 301.293 2.878 20 5 DFBDRO CC(=O)c1ccc(NC[C@@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420250176 296165635 /nfs/dbraw/zinc/16/56/35/296165635.db2.gz YYAHIGNYSGDQMF-HNNXBMFYSA-N 1 0 305.378 2.988 20 5 DFBDRO Cc1cc(N[C@@H]2C[NH2+]CC[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420246421 296165514 /nfs/dbraw/zinc/16/55/14/296165514.db2.gz STAWULUCOWSZGK-IINYFYTJSA-N 1 0 300.362 2.861 20 5 DFBDRO Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc([N+](=O)[O-])cc1 ZINC000600789125 399146815 /nfs/dbraw/zinc/14/68/15/399146815.db2.gz REQDWPCLDJROLK-ZDUSSCGKSA-N 1 0 300.358 2.680 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264613218 204029668 /nfs/dbraw/zinc/02/96/68/204029668.db2.gz PYNHIWYXBMBNAL-OAHLLOKOSA-N 1 0 319.405 2.534 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080464218 399149941 /nfs/dbraw/zinc/14/99/41/399149941.db2.gz VVGPNVLCUWHPON-STQMWFEESA-N 1 0 303.362 2.716 20 5 DFBDRO COc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000420262272 296166701 /nfs/dbraw/zinc/16/67/01/296166701.db2.gz ALNZJQJPZTXAKX-RYUDHWBXSA-N 1 0 323.368 2.568 20 5 DFBDRO Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000080464132 399150584 /nfs/dbraw/zinc/15/05/84/399150584.db2.gz USWGALZWUTVBLN-JSGCOSHPSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H]([NH3+])Cc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600792431 399148631 /nfs/dbraw/zinc/14/86/31/399148631.db2.gz IRRSQKHODYHVNU-GFCCVEGCSA-N 1 0 300.358 2.686 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000420271383 296168005 /nfs/dbraw/zinc/16/80/05/296168005.db2.gz COKGDQPXXSXIKJ-RKDXNWHRSA-N 1 0 307.379 2.529 20 5 DFBDRO COC(=O)c1cc(N[C@@H](C)CCCC[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420267794 296167478 /nfs/dbraw/zinc/16/74/78/296167478.db2.gz YOWSRAOQSJWQFJ-NSHDSACASA-N 1 0 309.366 2.619 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420269784 296167708 /nfs/dbraw/zinc/16/77/08/296167708.db2.gz BIGWYKUUFWVCHM-STQMWFEESA-N 1 0 314.389 2.803 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420280929 296168937 /nfs/dbraw/zinc/16/89/37/296168937.db2.gz VHWDCAVOZCLYMI-KBPBESRZSA-N 1 0 317.389 2.623 20 5 DFBDRO C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420277232 296168419 /nfs/dbraw/zinc/16/84/19/296168419.db2.gz HPMQUAZWKYDYDM-RYUDHWBXSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420277235 296168424 /nfs/dbraw/zinc/16/84/24/296168424.db2.gz HPMQUAZWKYDYDM-VXGBXAGGSA-N 1 0 300.362 2.564 20 5 DFBDRO COC(=O)c1ccc(-c2cccc3c2C[C@@H]2[C@H]([NH3+])[C@H]32)c([N+](=O)[O-])c1 ZINC000600845945 399158532 /nfs/dbraw/zinc/15/85/32/399158532.db2.gz TZCKUUGIBURZKD-UAGQMJEPSA-N 1 0 324.336 2.645 20 5 DFBDRO O=[N+]([O-])c1ccccc1CNC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058387 399158022 /nfs/dbraw/zinc/15/80/22/399158022.db2.gz GOFIMBKEKBJBRJ-OAHLLOKOSA-N 1 0 303.406 2.806 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000265012679 204342112 /nfs/dbraw/zinc/34/21/12/204342112.db2.gz FUMXHADNTGOVGC-AWEZNQCLSA-N 1 0 318.373 2.678 20 5 DFBDRO Cc1nc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618565236 399160768 /nfs/dbraw/zinc/16/07/68/399160768.db2.gz MAJVYRYWGCVRHF-QWHCGFSZSA-N 1 0 321.406 2.830 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000265016170 204344240 /nfs/dbraw/zinc/34/42/40/204344240.db2.gz ROIJCDMYEAHSRD-UHFFFAOYSA-N 1 0 318.377 2.605 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596073669 399163215 /nfs/dbraw/zinc/16/32/15/399163215.db2.gz LCZMZXGNDVZJNL-ZDUSSCGKSA-N 1 0 308.382 2.618 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288218938 220026020 /nfs/dbraw/zinc/02/60/20/220026020.db2.gz DPHPEMGKFSJUNH-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271732653 209166465 /nfs/dbraw/zinc/16/64/65/209166465.db2.gz NPCLAEAVUBBGHW-CYBMUJFWSA-N 1 0 322.409 2.637 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271732656 209165288 /nfs/dbraw/zinc/16/52/88/209165288.db2.gz NPCLAEAVUBBGHW-ZDUSSCGKSA-N 1 0 322.409 2.637 20 5 DFBDRO CC[N@H+](C)Cc1cccc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])c1 ZINC000596090598 399169497 /nfs/dbraw/zinc/16/94/97/399169497.db2.gz YXCIXZQCRHCHLU-UHFFFAOYSA-N 1 0 316.361 2.759 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000080681445 399169828 /nfs/dbraw/zinc/16/98/28/399169828.db2.gz GONGDWDVALDMCK-LBPRGKRZSA-N 1 0 313.423 2.593 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccc(F)cc1 ZINC000282508040 217050508 /nfs/dbraw/zinc/05/05/08/217050508.db2.gz ROPPTLPJNJHZPB-QGZVFWFLSA-N 1 0 318.348 2.942 20 5 DFBDRO Cc1nn(C)c(C)c1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282511278 217052521 /nfs/dbraw/zinc/05/25/21/217052521.db2.gz RYRWLQDTUYWEDE-UHFFFAOYSA-N 1 0 302.378 2.620 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])s2)C1 ZINC000080681443 399170041 /nfs/dbraw/zinc/17/00/41/399170041.db2.gz GONGDWDVALDMCK-GFCCVEGCSA-N 1 0 313.423 2.593 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000080680778 399170124 /nfs/dbraw/zinc/17/01/24/399170124.db2.gz GGDUBGMHYIOPRK-AWEZNQCLSA-N 1 0 307.394 2.532 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[C@H]1F ZINC000596103199 399174288 /nfs/dbraw/zinc/17/42/88/399174288.db2.gz CJFAOVZHSYOVSR-HUUCEWRRSA-N 1 0 319.336 2.726 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000614205874 399174594 /nfs/dbraw/zinc/17/45/94/399174594.db2.gz DASVXSSRDWLGIL-ZBFHGGJFSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCCC[C@@H]1CCO ZINC000342061132 284318405 /nfs/dbraw/zinc/31/84/05/284318405.db2.gz HVVBPKUNCVWYAN-CQSZACIVSA-N 1 0 308.378 2.601 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000596111592 399177047 /nfs/dbraw/zinc/17/70/47/399177047.db2.gz YZONMWJMMVEVPC-GFCCVEGCSA-N 1 0 317.336 2.659 20 5 DFBDRO Cc1c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413071 296187980 /nfs/dbraw/zinc/18/79/80/296187980.db2.gz ZNJWRHYAJJIUFT-WMLDXEAASA-N 1 0 303.406 2.867 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000596134765 399184776 /nfs/dbraw/zinc/18/47/76/399184776.db2.gz MSYFZKULTSHRDC-LLVKDONJSA-N 1 0 310.785 2.565 20 5 DFBDRO CCN(CC[NH3+])c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000600951534 399185308 /nfs/dbraw/zinc/18/53/08/399185308.db2.gz RQSYVIOZJAPSRU-UHFFFAOYSA-N 1 0 304.325 2.581 20 5 DFBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CCOCC1 ZINC000600952579 399185337 /nfs/dbraw/zinc/18/53/37/399185337.db2.gz PKAKUAKNMAJBLF-UHFFFAOYSA-N 1 0 319.283 2.533 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000600952344 399185756 /nfs/dbraw/zinc/18/57/56/399185756.db2.gz ZDBKLMAVWZHLHX-GFCCVEGCSA-N 1 0 315.320 2.630 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000600951271 399185797 /nfs/dbraw/zinc/18/57/97/399185797.db2.gz PLVGQZMYGIDBHJ-MRXNPFEDSA-N 1 0 300.362 2.577 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000600952436 399185827 /nfs/dbraw/zinc/18/58/27/399185827.db2.gz WENOSRBIVFUWGI-VHSXEESVSA-N 1 0 301.293 2.749 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H]1C[NH3+] ZINC000600962081 399188410 /nfs/dbraw/zinc/18/84/10/399188410.db2.gz UXRPWVZMAUKTRW-JQWIXIFHSA-N 1 0 318.402 2.749 20 5 DFBDRO COc1cc(NCC[C@@H]([NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000600962022 399188622 /nfs/dbraw/zinc/18/86/22/399188622.db2.gz YMZHQKHGCDFXCL-CQSZACIVSA-N 1 0 315.373 2.975 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000266134969 205125506 /nfs/dbraw/zinc/12/55/06/205125506.db2.gz FKTXUIWYABFINS-CQSZACIVSA-N 1 0 310.737 2.839 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000600958792 399187379 /nfs/dbraw/zinc/18/73/79/399187379.db2.gz LDCZMBWTJCRUBE-GFCCVEGCSA-N 1 0 300.362 2.851 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1NCc1cccc2c1CC[NH2+]C2 ZINC000600959592 399187455 /nfs/dbraw/zinc/18/74/55/399187455.db2.gz ZUVZXMIRKGQHTQ-UHFFFAOYSA-N 1 0 301.321 2.992 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccc(O)c1 ZINC000080917483 399187779 /nfs/dbraw/zinc/18/77/79/399187779.db2.gz YBCQDZKYZHKMAJ-UHFFFAOYSA-N 1 0 302.330 2.811 20 5 DFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252420 399189807 /nfs/dbraw/zinc/18/98/07/399189807.db2.gz RXVRWOCAYFURHP-DGCLKSJQSA-N 1 0 306.362 2.986 20 5 DFBDRO Cc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1F ZINC000271681884 209122873 /nfs/dbraw/zinc/12/28/73/209122873.db2.gz BTXPLCZVNVGISN-LBPRGKRZSA-N 1 0 319.336 2.555 20 5 DFBDRO Cc1ccnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000266254763 205218343 /nfs/dbraw/zinc/21/83/43/205218343.db2.gz NVGVNFPRNPRJTL-CQSZACIVSA-N 1 0 304.394 2.610 20 5 DFBDRO C[NH+](C)C1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000420626330 296193495 /nfs/dbraw/zinc/19/34/95/296193495.db2.gz LQRZHHUUYQAJPQ-UHFFFAOYSA-N 1 0 315.377 2.823 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000266327766 205270377 /nfs/dbraw/zinc/27/03/77/205270377.db2.gz WCQXVHYCKMWTRN-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000063694455 399201470 /nfs/dbraw/zinc/20/14/70/399201470.db2.gz LAUBLFVMRQOFQA-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000063724400 399204976 /nfs/dbraw/zinc/20/49/76/399204976.db2.gz WMIPANILGFEKFK-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000063723966 399204543 /nfs/dbraw/zinc/20/45/43/399204543.db2.gz DZMBAOJWJDUZGW-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000342606434 284378307 /nfs/dbraw/zinc/37/83/07/284378307.db2.gz MBLAXGNAVPPYCF-UHFFFAOYSA-N 1 0 322.409 2.651 20 5 DFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000282954699 217348072 /nfs/dbraw/zinc/34/80/72/217348072.db2.gz ZKRVWVHVQLCYOQ-BDJLRTHQSA-N 1 0 306.362 2.534 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000601100573 399227231 /nfs/dbraw/zinc/22/72/31/399227231.db2.gz UYPWNPMRTKOSCZ-ZDUSSCGKSA-N 1 0 320.324 2.971 20 5 DFBDRO O=c1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000601109465 399229852 /nfs/dbraw/zinc/22/98/52/399229852.db2.gz UKLYWUMYEKOWHX-UHFFFAOYSA-N 1 0 301.346 2.808 20 5 DFBDRO C[NH+](C)CCc1ccc(Nc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601116586 399231986 /nfs/dbraw/zinc/23/19/86/399231986.db2.gz UCCFTTBMYFOKEE-UHFFFAOYSA-N 1 0 304.325 2.977 20 5 DFBDRO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000601129662 399235726 /nfs/dbraw/zinc/23/57/26/399235726.db2.gz WEOIOEHGZZUKGW-BDJLRTHQSA-N 1 0 300.362 2.529 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421014000 296225206 /nfs/dbraw/zinc/22/52/06/296225206.db2.gz JUVZHCKXIHODDP-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@H]1C[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000267769830 206271001 /nfs/dbraw/zinc/27/10/01/206271001.db2.gz GGLIGJXRJSLYCY-PHIMTYICSA-N 1 0 302.334 2.733 20 5 DFBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCn2ccnc2C1 ZINC000618903298 399255342 /nfs/dbraw/zinc/25/53/42/399255342.db2.gz XASUHUBCSNFGNJ-GFCCVEGCSA-N 1 0 318.352 2.625 20 5 DFBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000618903299 399255376 /nfs/dbraw/zinc/25/53/76/399255376.db2.gz XASUHUBCSNFGNJ-LBPRGKRZSA-N 1 0 318.352 2.625 20 5 DFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCc2nccn2C1 ZINC000614772279 399266877 /nfs/dbraw/zinc/26/68/77/399266877.db2.gz FHTZRKQSODAFRE-NSHDSACASA-N 1 0 306.391 2.547 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601298298 399272916 /nfs/dbraw/zinc/27/29/16/399272916.db2.gz HDADVILDJDQNPG-SKDRFNHKSA-N 1 0 318.320 2.660 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000421549078 296264889 /nfs/dbraw/zinc/26/48/89/296264889.db2.gz FXISESDSFHLPHL-YPMHNXCESA-N 1 0 314.345 2.844 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000421549072 296264893 /nfs/dbraw/zinc/26/48/93/296264893.db2.gz FXISESDSFHLPHL-AAEUAGOBSA-N 1 0 314.345 2.844 20 5 DFBDRO CC(C)(CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000601531198 399297157 /nfs/dbraw/zinc/29/71/57/399297157.db2.gz MHLDVTDWRJFBLD-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000601609133 399308315 /nfs/dbraw/zinc/30/83/15/399308315.db2.gz UPRGWZZJIJYZTD-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO Cc1nccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260514 399311682 /nfs/dbraw/zinc/31/16/82/399311682.db2.gz UTHJGOPJIXNAMX-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615203283 399312193 /nfs/dbraw/zinc/31/21/93/399312193.db2.gz XRPDZHPBLATUCZ-SWLSCSKDSA-N 1 0 319.405 2.788 20 5 DFBDRO CC(C)(C)C[N@H+](CCO)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609317288 399313033 /nfs/dbraw/zinc/31/30/33/399313033.db2.gz RPYVYXCGOMEXEE-UHFFFAOYSA-N 1 0 310.394 2.704 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601664130 399317047 /nfs/dbraw/zinc/31/70/47/399317047.db2.gz IQWNEFIMTNKNCJ-NSHDSACASA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000615239428 399315768 /nfs/dbraw/zinc/31/57/68/399315768.db2.gz OXSZZHLBETXPLJ-CYBMUJFWSA-N 1 0 305.378 2.542 20 5 DFBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000274046386 211305034 /nfs/dbraw/zinc/30/50/34/211305034.db2.gz OXLPXMZBZWRGQD-DGCLKSJQSA-N 1 0 317.345 2.764 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421895966 296279420 /nfs/dbraw/zinc/27/94/20/296279420.db2.gz YWYNYEXEDRVNHF-STQMWFEESA-N 1 0 305.378 2.504 20 5 DFBDRO CC[N@@H+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000288578603 220254814 /nfs/dbraw/zinc/25/48/14/220254814.db2.gz UYWDXKTYCIWAMA-YPDDLIOESA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619433846 399345893 /nfs/dbraw/zinc/34/58/93/399345893.db2.gz YZKZCOHEIFMRJC-RYUDHWBXSA-N 1 0 306.362 2.892 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000610251835 399351036 /nfs/dbraw/zinc/35/10/36/399351036.db2.gz KHDYOMCJMDTASX-JMSVASOKSA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1cnc(N2CCC(C[NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000610284145 399353826 /nfs/dbraw/zinc/35/38/26/399353826.db2.gz MLLFFKABULXXNX-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCCC[NH+](C)C ZINC000615552290 399351935 /nfs/dbraw/zinc/35/19/35/399351935.db2.gz IDQVLOVMYQPUJV-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000619480736 399352161 /nfs/dbraw/zinc/35/21/61/399352161.db2.gz QPGRDYYSXISPSG-LBPRGKRZSA-N 1 0 307.398 2.548 20 5 DFBDRO CO[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284811339 218186951 /nfs/dbraw/zinc/18/69/51/218186951.db2.gz PGOFNIWBASBRRZ-MFKMUULPSA-N 1 0 309.322 2.502 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000619531992 399358862 /nfs/dbraw/zinc/35/88/62/399358862.db2.gz NQRYERFCHBWRGI-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)c1 ZINC000619566416 399363017 /nfs/dbraw/zinc/36/30/17/399363017.db2.gz TZLCLGKYNLOJJC-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO CCOc1cccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000273844510 211108454 /nfs/dbraw/zinc/10/84/54/211108454.db2.gz IMYPZKGBAPBVNV-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284902699 218228880 /nfs/dbraw/zinc/22/88/80/218228880.db2.gz CHXQVRXVTTWUGQ-GHJWDPDVSA-N 1 0 307.394 2.889 20 5 DFBDRO Cc1c(CN2CCO[C@@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601973548 399372115 /nfs/dbraw/zinc/37/21/15/399372115.db2.gz PWJIKMFZTWQDBZ-CYBMUJFWSA-N 1 0 300.305 2.759 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000610476658 399371582 /nfs/dbraw/zinc/37/15/82/399371582.db2.gz STVFFNKLWJIVEI-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610539320 399378436 /nfs/dbraw/zinc/37/84/36/399378436.db2.gz JDBJQHQOMCUEOG-SUYBPPKGSA-N 1 0 319.405 2.892 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC1CCCC1 ZINC000615724015 399377561 /nfs/dbraw/zinc/37/75/61/399377561.db2.gz KLDMJVHENCJHQK-LCYFTJDESA-N 1 0 317.389 2.647 20 5 DFBDRO CC[C@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000422089517 296298299 /nfs/dbraw/zinc/29/82/99/296298299.db2.gz USKSFPOPVSPQOC-NSHDSACASA-N 1 0 320.345 2.724 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000610586944 399383301 /nfs/dbraw/zinc/38/33/01/399383301.db2.gz CBZMQLXIRQFPDH-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585368 399383621 /nfs/dbraw/zinc/38/36/21/399383621.db2.gz MGNZEPODWQQQIC-WFASDCNBSA-N 1 0 303.362 2.716 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000285377150 218405165 /nfs/dbraw/zinc/40/51/65/218405165.db2.gz WFZQTFSLYNIVNJ-HNNXBMFYSA-N 1 0 318.377 2.614 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109926013 194298625 /nfs/dbraw/zinc/29/86/25/194298625.db2.gz VNGGJGXWCPCLRF-UHFFFAOYSA-N 1 0 317.389 2.732 20 5 DFBDRO CC(C)(C)OCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000610682053 399393064 /nfs/dbraw/zinc/39/30/64/399393064.db2.gz NOHLZICBJBLDIC-ZDUSSCGKSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]3)CC2)cc1OC(F)F ZINC000422534548 296311452 /nfs/dbraw/zinc/31/14/52/296311452.db2.gz BGBQKNBBKASOLV-UHFFFAOYSA-N 1 0 313.304 2.529 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000273440025 210776691 /nfs/dbraw/zinc/77/66/91/210776691.db2.gz WGUGQJOVMGJVKG-MRXNPFEDSA-N 1 0 318.348 2.736 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868438 399396615 /nfs/dbraw/zinc/39/66/15/399396615.db2.gz SIZCUAJDRAADJQ-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2C[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000610716242 399396671 /nfs/dbraw/zinc/39/66/71/399396671.db2.gz FGBWETUELWYDHL-RISCZKNCSA-N 1 0 321.377 2.524 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000602131133 399399182 /nfs/dbraw/zinc/39/91/82/399399182.db2.gz QYYDBYSMWYUGTR-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000610798979 399407816 /nfs/dbraw/zinc/40/78/16/399407816.db2.gz CMGAKHPUWCGHPW-GFCCVEGCSA-N 1 0 300.362 2.907 20 5 DFBDRO CC[C@@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610798667 399407988 /nfs/dbraw/zinc/40/79/88/399407988.db2.gz MRBBNSQIVFWQRE-JKIFEVAISA-N 1 0 321.421 2.745 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000056327679 184010365 /nfs/dbraw/zinc/01/03/65/184010365.db2.gz CGUKLEOKFRCRMD-UHFFFAOYSA-N 1 0 318.377 2.687 20 5 DFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000610831054 399410826 /nfs/dbraw/zinc/41/08/26/399410826.db2.gz FNICWPDAWGSAGS-JTQLQIEISA-N 1 0 305.359 2.946 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610815058 399409458 /nfs/dbraw/zinc/40/94/58/399409458.db2.gz ITIIZUOCIHFLCE-UONOGXRCSA-N 1 0 308.378 2.607 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000616060706 399417511 /nfs/dbraw/zinc/41/75/11/399417511.db2.gz GNOXDAJPKINRBH-FZMZJTMJSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000269000855 207155852 /nfs/dbraw/zinc/15/58/52/207155852.db2.gz UTXPBNJUIUAQGO-XJKSGUPXSA-N 1 0 323.462 2.991 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000058856983 184130099 /nfs/dbraw/zinc/13/00/99/184130099.db2.gz LYLSSHVEVUGARP-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080811 399432996 /nfs/dbraw/zinc/43/29/96/399432996.db2.gz FDZAIMTXPYNGBQ-HYVNUMGLSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1ccc(C)n1C1CC[NH+](Cc2cn(C)nc2[N+](=O)[O-])CC1 ZINC000602450846 399447665 /nfs/dbraw/zinc/44/76/65/399447665.db2.gz BIIDQKOWVAEEDH-UHFFFAOYSA-N 1 0 317.393 2.584 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000611248133 399450876 /nfs/dbraw/zinc/45/08/76/399450876.db2.gz BZNPBWKUOJFSAU-GXTWGEPZSA-N 1 0 307.394 2.738 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478977 399457154 /nfs/dbraw/zinc/45/71/54/399457154.db2.gz WHCUEYLTJIIHPL-DGCLKSJQSA-N 1 0 318.352 2.845 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000611282362 399457505 /nfs/dbraw/zinc/45/75/05/399457505.db2.gz NQPINANOQXQDAI-GXTWGEPZSA-N 1 0 319.405 2.590 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C[N@@H+]1C ZINC000611298451 399459381 /nfs/dbraw/zinc/45/93/81/399459381.db2.gz IIBDBPPSHWHMPC-ZJUUUORDSA-N 1 0 315.320 2.725 20 5 DFBDRO C[C@@H]1[C@H](C)N(c2ccc([N+](=O)[O-])c3cnccc32)CC[N@H+]1C ZINC000611298970 399459949 /nfs/dbraw/zinc/45/99/49/399459949.db2.gz DGSYRXSGJGXBAA-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCCO1 ZINC000602498773 399461300 /nfs/dbraw/zinc/46/13/00/399461300.db2.gz KTGVLDGOXVGHHK-LLVKDONJSA-N 1 0 304.268 2.882 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602513814 399465526 /nfs/dbraw/zinc/46/55/26/399465526.db2.gz DQYSXRPAQRSFTH-LBPRGKRZSA-N 1 0 318.377 2.558 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCn3ccnc3)nc2c1 ZINC000602517711 399466635 /nfs/dbraw/zinc/46/66/35/399466635.db2.gz DZGFQRRMZXUZEE-UHFFFAOYSA-N 1 0 315.333 2.503 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602534905 399469944 /nfs/dbraw/zinc/46/99/44/399469944.db2.gz VKCFCGKWAMLNGI-NSHDSACASA-N 1 0 306.366 2.556 20 5 DFBDRO CC(C)[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555669 399474644 /nfs/dbraw/zinc/47/46/44/399474644.db2.gz HFVWZINZSWHNJV-ZDUSSCGKSA-N 1 0 306.410 2.840 20 5 DFBDRO CSCCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555277 399474690 /nfs/dbraw/zinc/47/46/90/399474690.db2.gz FEJXJXWDGNJKHA-UHFFFAOYSA-N 1 0 324.450 2.691 20 5 DFBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568227 399478838 /nfs/dbraw/zinc/47/88/38/399478838.db2.gz JUPRWVBICXUIMX-QWRGUYRKSA-N 1 0 305.334 2.641 20 5 DFBDRO CC[C@@H](O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576849 399480701 /nfs/dbraw/zinc/48/07/01/399480701.db2.gz QLKCSWWSDBGYIQ-SSDOTTSWSA-N 1 0 323.212 2.669 20 5 DFBDRO C[C@@H](CCCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602573657 399479416 /nfs/dbraw/zinc/47/94/16/399479416.db2.gz JVZPYTGOLLMELG-ZETCQYMHSA-N 1 0 323.212 2.669 20 5 DFBDRO COc1cc(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602587333 399484672 /nfs/dbraw/zinc/48/46/72/399484672.db2.gz ZWEWNUYTJXIYSW-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO CC(C)OCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602612670 399490226 /nfs/dbraw/zinc/49/02/26/399490226.db2.gz JVQJNQYCQYJKAE-UHFFFAOYSA-N 1 0 323.212 2.933 20 5 DFBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602627907 399495466 /nfs/dbraw/zinc/49/54/66/399495466.db2.gz DHYHPWQTIDXJKP-BQBZGAKWSA-N 1 0 323.212 2.932 20 5 DFBDRO CC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602642210 399499829 /nfs/dbraw/zinc/49/98/29/399499829.db2.gz AEQLEUPHWALOPR-UHFFFAOYSA-N 1 0 304.394 2.738 20 5 DFBDRO CC(C)([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000602646596 399501512 /nfs/dbraw/zinc/50/15/12/399501512.db2.gz CNYAVTUXDATSRV-UHFFFAOYSA-N 1 0 314.336 2.592 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616767 399499089 /nfs/dbraw/zinc/49/90/89/399499089.db2.gz FFCFCDVHPCEOQO-AWEZNQCLSA-N 1 0 306.410 2.775 20 5 DFBDRO C[C@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602639196 399499263 /nfs/dbraw/zinc/49/92/63/399499263.db2.gz WOMYKZPAANBXFR-KBPBESRZSA-N 1 0 318.421 2.984 20 5 DFBDRO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602649131 399502137 /nfs/dbraw/zinc/50/21/37/399502137.db2.gz HJJKBAHBUQFQRF-MRXNPFEDSA-N 1 0 314.389 2.954 20 5 DFBDRO C[C@@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602650548 399502568 /nfs/dbraw/zinc/50/25/68/399502568.db2.gz YACNHVHNSNLYLQ-KGLIPLIRSA-N 1 0 318.421 2.984 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCCC[C@H]3CCO)nc2c1 ZINC000602653753 399503864 /nfs/dbraw/zinc/50/38/64/399503864.db2.gz OQXPDXUUXPDGNX-LBPRGKRZSA-N 1 0 319.361 2.863 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294863657 532955551 /nfs/dbraw/zinc/95/55/51/532955551.db2.gz DJBHYZJGOZETJE-GFCCVEGCSA-N 1 0 305.378 2.524 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000294863659 532955736 /nfs/dbraw/zinc/95/57/36/532955736.db2.gz DJBHYZJGOZETJE-LBPRGKRZSA-N 1 0 305.378 2.524 20 5 DFBDRO COCCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000116876590 194778708 /nfs/dbraw/zinc/77/87/08/194778708.db2.gz FEHVRXVQLMJBPL-UHFFFAOYSA-N 1 0 307.394 2.534 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000422828627 296340318 /nfs/dbraw/zinc/34/03/18/296340318.db2.gz OQBJKIKHQJAMDN-MRXNPFEDSA-N 1 0 305.378 2.575 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707042 399508522 /nfs/dbraw/zinc/50/85/22/399508522.db2.gz NBPPHIIJHJHWRV-LBPRGKRZSA-N 1 0 315.377 2.824 20 5 DFBDRO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000611709902 399509147 /nfs/dbraw/zinc/50/91/47/399509147.db2.gz XFWOFVOSBFQIBN-LLVKDONJSA-N 1 0 317.393 2.926 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000422842593 296343014 /nfs/dbraw/zinc/34/30/14/296343014.db2.gz GBPMRWHRFKQYDH-KGLIPLIRSA-N 1 0 319.405 2.719 20 5 DFBDRO C[C@@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C1=CC[N@H+](C)CC1 ZINC000611713526 399510611 /nfs/dbraw/zinc/51/06/11/399510611.db2.gz DHBXZGGALMVQKE-LLVKDONJSA-N 1 0 313.361 2.600 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668061 399511012 /nfs/dbraw/zinc/51/10/12/399511012.db2.gz SIDMOAGHQBMQJS-SMDDNHRTSA-N 1 0 318.377 2.508 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c21 ZINC000347393937 285029518 /nfs/dbraw/zinc/02/95/18/285029518.db2.gz BCHIHISJQLONEI-AAEUAGOBSA-N 1 0 313.361 2.577 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602670836 399513396 /nfs/dbraw/zinc/51/33/96/399513396.db2.gz QRWSAXNZDYWSHD-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CCSC1 ZINC000119954215 195069330 /nfs/dbraw/zinc/06/93/30/195069330.db2.gz WLKONLMRJAKDHR-CYBMUJFWSA-N 1 0 323.418 2.669 20 5 DFBDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000119957468 195069836 /nfs/dbraw/zinc/06/98/36/195069836.db2.gz METBXPYQLQSEFP-KFWWJZLASA-N 1 0 321.421 2.745 20 5 DFBDRO CC(C)CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000119965043 195070318 /nfs/dbraw/zinc/07/03/18/195070318.db2.gz WEXGIXYLPIQADC-INIZCTEOSA-N 1 0 308.378 2.721 20 5 DFBDRO CC(C)CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000119964931 195070821 /nfs/dbraw/zinc/07/08/21/195070821.db2.gz WEXGIXYLPIQADC-MRXNPFEDSA-N 1 0 308.378 2.721 20 5 DFBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCOC1 ZINC000602678936 399516861 /nfs/dbraw/zinc/51/68/61/399516861.db2.gz ZVPFNPMNLZCBKD-GFCCVEGCSA-N 1 0 305.334 2.735 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000120049570 195087298 /nfs/dbraw/zinc/08/72/98/195087298.db2.gz JFFPTTPFXUZYRD-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[C@H]3CCOC3)nc2c1 ZINC000602681126 399518042 /nfs/dbraw/zinc/51/80/42/399518042.db2.gz KMUVPXWVRLIXDO-NSHDSACASA-N 1 0 305.334 2.642 20 5 DFBDRO CO[C@H]([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602680768 399518172 /nfs/dbraw/zinc/51/81/72/399518172.db2.gz KIEAVQFOSOPWOD-BJOHPYRUSA-N 1 0 305.334 2.639 20 5 DFBDRO CC[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000602701254 399528510 /nfs/dbraw/zinc/52/85/10/399528510.db2.gz XYQQBMDKOJIPPK-ZYHUDNBSSA-N 1 0 305.334 2.735 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000602705632 399530316 /nfs/dbraw/zinc/53/03/16/399530316.db2.gz BGVQHMOXDRKLAC-SECBINFHSA-N 1 0 318.295 2.864 20 5 DFBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602709602 399532604 /nfs/dbraw/zinc/53/26/04/399532604.db2.gz GUFZMUJCBVTZLR-CMPLNLGQSA-N 1 0 305.334 2.783 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)c([N+](=O)[O-])n1 ZINC000602714558 399535123 /nfs/dbraw/zinc/53/51/23/399535123.db2.gz BKPXOPRAFBUPBW-OLZOCXBDSA-N 1 0 322.409 2.544 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2cccnc2)cc1 ZINC000602714386 399535360 /nfs/dbraw/zinc/53/53/60/399535360.db2.gz ICJJQZLYNHHKBQ-SJORKVTESA-N 1 0 313.357 2.652 20 5 DFBDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610771 285091464 /nfs/dbraw/zinc/09/14/64/285091464.db2.gz ZMKLJXHQZBODIY-KBPBESRZSA-N 1 0 321.421 2.903 20 5 DFBDRO C[C@@H](O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602717349 399536532 /nfs/dbraw/zinc/53/65/32/399536532.db2.gz XZVSWEYKZVZETK-DYVFJYSZSA-N 1 0 300.358 2.849 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000286194368 218841840 /nfs/dbraw/zinc/84/18/40/218841840.db2.gz PUVLNIYXJOGMKI-KBPBESRZSA-N 1 0 308.378 2.634 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000602741711 399551306 /nfs/dbraw/zinc/55/13/06/399551306.db2.gz TVPQMTKZIGEYCD-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000288611844 220287115 /nfs/dbraw/zinc/28/71/15/220287115.db2.gz QSOVHCGVIHDIPZ-CYBMUJFWSA-N 1 0 314.341 2.869 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272971465 210353482 /nfs/dbraw/zinc/35/34/82/210353482.db2.gz OJSWTQOBNOTMDQ-GFCCVEGCSA-N 1 0 318.377 2.675 20 5 DFBDRO COC(=O)CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000347664193 285120526 /nfs/dbraw/zinc/12/05/26/285120526.db2.gz PAHPPMIAUUBXBF-QPJJXVBHSA-N 1 0 304.346 2.683 20 5 DFBDRO COc1cccc(OC)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000286435664 218985889 /nfs/dbraw/zinc/98/58/89/218985889.db2.gz JCKGYTQCLZPVHF-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000602757038 399558621 /nfs/dbraw/zinc/55/86/21/399558621.db2.gz CUESGPPGDORADA-LLVKDONJSA-N 1 0 306.341 2.932 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000296668087 285141405 /nfs/dbraw/zinc/14/14/05/285141405.db2.gz ZCENAUPZIYXXNG-GXTWGEPZSA-N 1 0 301.350 2.510 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000602771501 399564825 /nfs/dbraw/zinc/56/48/25/399564825.db2.gz BMGMAXJVHGWVQO-ZDUSSCGKSA-N 1 0 302.378 2.835 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000602779379 399569296 /nfs/dbraw/zinc/56/92/96/399569296.db2.gz FZTROSRVNVTZRV-LBPRGKRZSA-N 1 0 300.362 2.547 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccccc2)CCC1 ZINC000602786892 399572897 /nfs/dbraw/zinc/57/28/97/399572897.db2.gz WZMXBRAXHGZKKF-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000423190393 296390433 /nfs/dbraw/zinc/39/04/33/296390433.db2.gz NVYJAZURGGEKDZ-STQMWFEESA-N 1 0 309.435 2.807 20 5 DFBDRO COCC[C@H](COC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353648978 285168104 /nfs/dbraw/zinc/16/81/04/285168104.db2.gz MTYUHZOCOHEZRN-MLGOLLRUSA-N 1 0 322.405 2.958 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000602800777 399580281 /nfs/dbraw/zinc/58/02/81/399580281.db2.gz CGWJGMRKLGFDTK-INIZCTEOSA-N 1 0 314.389 2.898 20 5 DFBDRO COc1cccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157530215 197193842 /nfs/dbraw/zinc/19/38/42/197193842.db2.gz DZEGINVZENELSR-INIZCTEOSA-N 1 0 316.361 2.637 20 5 DFBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810059 399584924 /nfs/dbraw/zinc/58/49/24/399584924.db2.gz KMOLFKQOJWVGPV-MRXNPFEDSA-N 1 0 314.389 2.937 20 5 DFBDRO Cn1cc(C[NH2+]C2(Cc3ccccc3)CCCC2)c([N+](=O)[O-])n1 ZINC000602811007 399585109 /nfs/dbraw/zinc/58/51/09/399585109.db2.gz VQMPSWUDSDQRME-UHFFFAOYSA-N 1 0 314.389 2.973 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000602814007 399586149 /nfs/dbraw/zinc/58/61/49/399586149.db2.gz BKNULISBHVHPLU-JTQLQIEISA-N 1 0 308.304 2.666 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156840832 197143526 /nfs/dbraw/zinc/14/35/26/197143526.db2.gz QRNTZHHIONFNDC-HUUCEWRRSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000602838254 399595900 /nfs/dbraw/zinc/59/59/00/399595900.db2.gz CRZNJOQNGOLMAF-GFCCVEGCSA-N 1 0 320.368 2.802 20 5 DFBDRO [NH3+]C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000155603418 197071381 /nfs/dbraw/zinc/07/13/81/197071381.db2.gz CPISHBBSCMVAOV-INIZCTEOSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000602850870 399602122 /nfs/dbraw/zinc/60/21/22/399602122.db2.gz HHFBIJZAHXIXAC-UHFFFAOYSA-N 1 0 318.352 2.908 20 5 DFBDRO COCC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000347915052 285242756 /nfs/dbraw/zinc/24/27/56/285242756.db2.gz ADWWQPXXONWOOE-OAHLLOKOSA-N 1 0 320.345 2.934 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000294734039 224199472 /nfs/dbraw/zinc/19/94/72/224199472.db2.gz WNDZXKBLLVXQDC-WFASDCNBSA-N 1 0 318.348 2.988 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000294706722 224182580 /nfs/dbraw/zinc/18/25/80/224182580.db2.gz BNXZMEBQZMWHRQ-RDJZCZTQSA-N 1 0 313.357 3.000 20 5 DFBDRO Cc1ccc([C@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294719231 224190604 /nfs/dbraw/zinc/19/06/04/224190604.db2.gz MKNYMDDAOFVZEA-HNNXBMFYSA-N 1 0 321.421 2.549 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000602872105 399611595 /nfs/dbraw/zinc/61/15/95/399611595.db2.gz CNCCIXMHEQMTMK-SNVBAGLBSA-N 1 0 316.352 2.903 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602880281 399613770 /nfs/dbraw/zinc/61/37/70/399613770.db2.gz LADJYRLMJPUYCC-OAHLLOKOSA-N 1 0 302.334 2.534 20 5 DFBDRO Cc1cc(NC(=O)NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000153753078 196905696 /nfs/dbraw/zinc/90/56/96/196905696.db2.gz LWQXGFMGEXBMDK-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423532536 296427180 /nfs/dbraw/zinc/42/71/80/296427180.db2.gz ZWFNBFMVINOZDL-UHFFFAOYSA-N 1 0 319.405 2.838 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000216205925 288689756 /nfs/dbraw/zinc/68/97/56/288689756.db2.gz BDXLRDVNCAISDI-RKDXNWHRSA-N 1 0 314.183 2.531 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000271571947 209022973 /nfs/dbraw/zinc/02/29/73/209022973.db2.gz YYANUZUNNJQBSD-MLGOLLRUSA-N 1 0 301.346 2.682 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423605657 296432877 /nfs/dbraw/zinc/43/28/77/296432877.db2.gz VTEDJWJXAJZIHG-CQSZACIVSA-N 1 0 319.405 2.932 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423611294 296433363 /nfs/dbraw/zinc/43/33/63/296433363.db2.gz NSVVYUMKZNIRKP-OAHLLOKOSA-N 1 0 323.418 2.518 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000423614065 296433700 /nfs/dbraw/zinc/43/37/00/296433700.db2.gz WRDVCGLHTKTWDJ-OAHLLOKOSA-N 1 0 319.405 2.720 20 5 DFBDRO CCOc1cc(C[N@H+](CC)C[C@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000617196033 399627356 /nfs/dbraw/zinc/62/73/56/399627356.db2.gz AWCCPGNSVCPEPT-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000617196456 399627544 /nfs/dbraw/zinc/62/75/44/399627544.db2.gz MVIUUBSMXMXIKR-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292850558 533220853 /nfs/dbraw/zinc/22/08/53/533220853.db2.gz BTNCGJFVYXSRQW-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000289699571 221163089 /nfs/dbraw/zinc/16/30/89/221163089.db2.gz GBHYEEAQMPSCDB-PBHICJAKSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000294901067 224297128 /nfs/dbraw/zinc/29/71/28/224297128.db2.gz DTKMAWMPZQRUQH-XJKSGUPXSA-N 1 0 321.421 2.630 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000289858950 221274481 /nfs/dbraw/zinc/27/44/81/221274481.db2.gz GIFRLZYLWDIKNN-SOUVJXGZSA-N 1 0 305.378 2.550 20 5 DFBDRO O=C(CC[NH+]1CCC(CCF)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000602948866 399636210 /nfs/dbraw/zinc/63/62/10/399636210.db2.gz VZCLDUCVMKEIIN-UHFFFAOYSA-N 1 0 323.368 2.995 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000294950923 224333294 /nfs/dbraw/zinc/33/32/94/224333294.db2.gz AVQGGSRLAUAVEG-SJCJKPOMSA-N 1 0 318.348 2.988 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000602997704 399654381 /nfs/dbraw/zinc/65/43/81/399654381.db2.gz PDRVTSNTSCUJGH-DZKIICNBSA-N 1 0 320.389 2.729 20 5 DFBDRO CC[C@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982235 399649397 /nfs/dbraw/zinc/64/93/97/399649397.db2.gz PJUGQBJYWFGCLA-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987486 399650599 /nfs/dbraw/zinc/65/05/99/399650599.db2.gz IFZOOFRQAFUXOJ-JFGNBEQYSA-N 1 0 318.295 2.758 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000612610331 399688939 /nfs/dbraw/zinc/68/89/39/399688939.db2.gz XZVAWKXFLDODNX-QFIPXVFZSA-N 1 0 318.398 2.930 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612613199 399689794 /nfs/dbraw/zinc/68/97/94/399689794.db2.gz PIXJFYIBXBYTPS-NSHDSACASA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000603185761 399705153 /nfs/dbraw/zinc/70/51/53/399705153.db2.gz LISCMNGBUBRRBF-QMTHXVAHSA-N 1 0 303.366 2.842 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000294994931 224365966 /nfs/dbraw/zinc/36/59/66/224365966.db2.gz RARZYLGDARNDOE-ZDUSSCGKSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603250607 399723763 /nfs/dbraw/zinc/72/37/63/399723763.db2.gz KLUBPXPAOALQBD-CHWSQXEVSA-N 1 0 315.377 2.571 20 5 DFBDRO CC[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CC1 ZINC000112210534 542566010 /nfs/dbraw/zinc/56/60/10/542566010.db2.gz HRTUYBABDDWKQM-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@H]([NH3+])C(C)C)nn1 ZINC000603250629 399723094 /nfs/dbraw/zinc/72/30/94/399723094.db2.gz KTSBTHQUSISQJB-IAQYHMDHSA-N 1 0 303.366 2.760 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000074136916 184960856 /nfs/dbraw/zinc/96/08/56/184960856.db2.gz GJAWDOBOQPWHLS-CQSZACIVSA-N 1 0 307.394 2.609 20 5 DFBDRO CCC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121647027 195323316 /nfs/dbraw/zinc/32/33/16/195323316.db2.gz KXNQVGFVQHMICW-QGZVFWFLSA-N 1 0 321.421 2.528 20 5 DFBDRO CSc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000122083487 195398855 /nfs/dbraw/zinc/39/88/55/195398855.db2.gz BSYIBZGNLXEVLT-PWSUYJOCSA-N 1 0 323.418 2.659 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000122638889 195480678 /nfs/dbraw/zinc/48/06/78/195480678.db2.gz GFONRBUMQIVXES-UHFFFAOYSA-N 1 0 324.812 2.955 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000423937830 296468296 /nfs/dbraw/zinc/46/82/96/296468296.db2.gz HWECVBAVPLITRP-ZDUSSCGKSA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000603408812 399769449 /nfs/dbraw/zinc/76/94/49/399769449.db2.gz QZMGWPZYAUNCHH-UHFFFAOYSA-N 1 0 323.368 2.789 20 5 DFBDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603437490 399776585 /nfs/dbraw/zinc/77/65/85/399776585.db2.gz NPLTZMQSGFDMDD-KXMPLOMGSA-N 1 0 316.304 2.613 20 5 DFBDRO COc1ccncc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000286815708 131251330 /nfs/dbraw/zinc/25/13/30/131251330.db2.gz JZOGNKUMNIKROG-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000603839088 399807430 /nfs/dbraw/zinc/80/74/30/399807430.db2.gz PIWRQBCJNJUHSL-AWEZNQCLSA-N 1 0 300.362 2.575 20 5 DFBDRO CC[C@H]([NH2+]CCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000223474741 542886578 /nfs/dbraw/zinc/88/65/78/542886578.db2.gz LAXDWUFDCPKLEF-HNNXBMFYSA-N 1 0 309.435 2.684 20 5 DFBDRO Cc1ccnc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301300797 543046603 /nfs/dbraw/zinc/04/66/03/543046603.db2.gz QWLNJGCPWNACBI-OAHLLOKOSA-N 1 0 314.389 2.883 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2C3CCC2CC3)cccc1[N+](=O)[O-] ZINC000604435107 399846545 /nfs/dbraw/zinc/84/65/45/399846545.db2.gz VVLZUPLHZWMDFQ-UHFFFAOYSA-N 1 0 303.362 2.859 20 5 DFBDRO C[C@H](CC1CCOCC1)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348918853 285721042 /nfs/dbraw/zinc/72/10/42/285721042.db2.gz CTVIWRYYVIIEDW-CQSZACIVSA-N 1 0 321.421 2.813 20 5 DFBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)c1 ZINC000604557740 399855691 /nfs/dbraw/zinc/85/56/91/399855691.db2.gz GJVUHSHNATVNST-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)F ZINC000349207005 285805443 /nfs/dbraw/zinc/80/54/43/285805443.db2.gz FTBJUHCPCZLKRR-ONGXEEELSA-N 1 0 320.361 2.681 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172960905 145326383 /nfs/dbraw/zinc/32/63/83/145326383.db2.gz KLNUVVCIKREBQY-HONMWMINSA-N 1 0 303.362 2.510 20 5 DFBDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174844377 145392415 /nfs/dbraw/zinc/39/24/15/145392415.db2.gz DMQBEQBGZFEGFJ-OAHLLOKOSA-N 1 0 316.361 2.637 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000237288286 146040341 /nfs/dbraw/zinc/04/03/41/146040341.db2.gz JLQZPSMAOIFCOH-LLVKDONJSA-N 1 0 320.345 2.581 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245776568 146103082 /nfs/dbraw/zinc/10/30/82/146103082.db2.gz AEZVSTDFFIDQAS-YPMHNXCESA-N 1 0 305.378 2.820 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000246536869 146141885 /nfs/dbraw/zinc/14/18/85/146141885.db2.gz CMLOEVQPQFSGFB-OLZOCXBDSA-N 1 0 305.378 2.678 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000247350062 146166685 /nfs/dbraw/zinc/16/66/85/146166685.db2.gz JQWNWHOQVPHKPW-XJKSGUPXSA-N 1 0 319.405 2.706 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252700143 146222995 /nfs/dbraw/zinc/22/29/95/146222995.db2.gz YFXCLFNPEZOGFE-RYUDHWBXSA-N 1 0 311.769 2.523 20 5 DFBDRO [NH3+]CCN(Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000261546072 146240015 /nfs/dbraw/zinc/24/00/15/146240015.db2.gz KRFBORYFCWDABW-UHFFFAOYSA-N 1 0 303.337 2.695 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@H]1c1cccnc1 ZINC000261653970 146255547 /nfs/dbraw/zinc/25/55/47/146255547.db2.gz HOGDABGCNGLSPA-UKTKYZJWSA-N 1 0 324.384 2.650 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261803140 146278558 /nfs/dbraw/zinc/27/85/58/146278558.db2.gz VANJBBPPFJOWOL-HNNXBMFYSA-N 1 0 318.377 2.591 20 5 DFBDRO Cc1c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807614 146280667 /nfs/dbraw/zinc/28/06/67/146280667.db2.gz RHIFASGQRDLIIN-DLBZAZTESA-N 1 0 311.385 2.830 20 5 DFBDRO COc1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000261932762 146303876 /nfs/dbraw/zinc/30/38/76/146303876.db2.gz SYOCKNNAKGKSLC-ZDUSSCGKSA-N 1 0 321.377 2.840 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000261982946 146315987 /nfs/dbraw/zinc/31/59/87/146315987.db2.gz JLUBUUWYMMVRBL-IAQYHMDHSA-N 1 0 301.346 2.634 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[C@@H]1CCC[NH2+]C1 ZINC000261987322 146317373 /nfs/dbraw/zinc/31/73/73/146317373.db2.gz AZOGLOSAHVFKLN-VIFPVBQESA-N 1 0 318.299 2.810 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000262302129 146349278 /nfs/dbraw/zinc/34/92/78/146349278.db2.gz XOZURAULFXVANE-KRWDZBQOSA-N 1 0 315.348 2.880 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000075954747 292153288 /nfs/dbraw/zinc/15/32/88/292153288.db2.gz MAAPPTMLDXQNTI-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@]1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC[NH2+]C1 ZINC000262372819 146354679 /nfs/dbraw/zinc/35/46/79/146354679.db2.gz XQJHXORQWOFNSE-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000262412738 146357947 /nfs/dbraw/zinc/35/79/47/146357947.db2.gz DGMZEFHZBPZAOF-AWEZNQCLSA-N 1 0 305.378 2.509 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354351347 147005436 /nfs/dbraw/zinc/00/54/36/147005436.db2.gz CUOWQDXQWDKPRY-MNOVXSKESA-N 1 0 312.801 2.952 20 5 DFBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000355339663 147273390 /nfs/dbraw/zinc/27/33/90/147273390.db2.gz UUJCHRIIODTLDX-KGLIPLIRSA-N 1 0 324.425 2.744 20 5 DFBDRO Cn1cc(CN2CC[C@@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355360120 147283772 /nfs/dbraw/zinc/28/37/72/147283772.db2.gz AFVWDBWVTUDRCA-MRXNPFEDSA-N 1 0 318.352 2.929 20 5 DFBDRO Cc1cccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000350045595 285995139 /nfs/dbraw/zinc/99/51/39/285995139.db2.gz BGYOBNDUMRGMER-UHFFFAOYSA-N 1 0 300.362 2.808 20 5 DFBDRO CSC1(CNc2ncc([N+](=O)[O-])cc2C)CC[NH+](C)CC1 ZINC000357577389 148045540 /nfs/dbraw/zinc/04/55/40/148045540.db2.gz CQHQADDRWIOAAN-UHFFFAOYSA-N 1 0 310.423 2.538 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000358020691 148215557 /nfs/dbraw/zinc/21/55/57/148215557.db2.gz GCLAAYLXOYXGOD-CYBMUJFWSA-N 1 0 304.350 2.578 20 5 DFBDRO COC(=O)CCC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000358282641 148318703 /nfs/dbraw/zinc/31/87/03/148318703.db2.gz TYKZQDDPDVCZJN-SOFGYWHQSA-N 1 0 306.362 2.929 20 5 DFBDRO CCc1ncc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000425961224 296606084 /nfs/dbraw/zinc/60/60/84/296606084.db2.gz RRZZCYMXMYHCDA-UHFFFAOYSA-N 1 0 321.406 2.647 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000350505859 286052313 /nfs/dbraw/zinc/05/23/13/286052313.db2.gz DSDYBZFSTFCNLH-LBPRGKRZSA-N 1 0 308.382 2.753 20 5 DFBDRO CCC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361109989 149030153 /nfs/dbraw/zinc/03/01/53/149030153.db2.gz OTJDNJYYKXXZNS-RHSMWYFYSA-N 1 0 321.421 2.746 20 5 DFBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000361518293 149136566 /nfs/dbraw/zinc/13/65/66/149136566.db2.gz GNLXQQXYFUWDSW-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516556 149136843 /nfs/dbraw/zinc/13/68/43/149136843.db2.gz RIWPDSQAGPPKDD-GJZGRUSLSA-N 1 0 318.377 2.685 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591494 149161121 /nfs/dbraw/zinc/16/11/21/149161121.db2.gz NPRBUCHOUBPSJR-RYUDHWBXSA-N 1 0 320.315 2.844 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000361595931 149161772 /nfs/dbraw/zinc/16/17/72/149161772.db2.gz PURDNZWADHXHRD-QWRGUYRKSA-N 1 0 320.315 2.844 20 5 DFBDRO Cc1noc([C@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000361610285 149166518 /nfs/dbraw/zinc/16/65/18/149166518.db2.gz MALUTEQJWKRPCB-QWRGUYRKSA-N 1 0 304.350 2.958 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000361654276 149181942 /nfs/dbraw/zinc/18/19/42/149181942.db2.gz ZSCMZVZVRPCMPK-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO COc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000361922817 149256464 /nfs/dbraw/zinc/25/64/64/149256464.db2.gz BJPVNQZINBOIDK-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO CSc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000362893717 149391545 /nfs/dbraw/zinc/39/15/45/149391545.db2.gz OBDDSUHIZNDCLG-ZYHUDNBSSA-N 1 0 323.418 2.529 20 5 DFBDRO CO[C@H](C)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000371699557 150082630 /nfs/dbraw/zinc/08/26/30/150082630.db2.gz HXMPLZABOIKELG-GFCCVEGCSA-N 1 0 305.378 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000373112378 150232955 /nfs/dbraw/zinc/23/29/55/150232955.db2.gz KWUPFYFHKRDGLK-PBHICJAKSA-N 1 0 319.405 2.816 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000373773485 150256437 /nfs/dbraw/zinc/25/64/37/150256437.db2.gz URIDONDLNBVKFA-BMFZPTHFSA-N 1 0 320.389 2.849 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000373774822 150256493 /nfs/dbraw/zinc/25/64/93/150256493.db2.gz YTXQSOXAQQWOAL-ZDUSSCGKSA-N 1 0 316.361 2.706 20 5 DFBDRO CCOc1cc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351633767 286176615 /nfs/dbraw/zinc/17/66/15/286176615.db2.gz LYIXVWXQCRNDOB-UKRRQHHQSA-N 1 0 322.405 2.976 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374362423 150352414 /nfs/dbraw/zinc/35/24/14/150352414.db2.gz OYUGLTRWQSLIIF-AWEZNQCLSA-N 1 0 320.389 2.852 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444217 150368297 /nfs/dbraw/zinc/36/82/97/150368297.db2.gz PVMOVODECZJGQW-ZFWWWQNUSA-N 1 0 300.362 2.916 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000374469075 150371534 /nfs/dbraw/zinc/37/15/34/150371534.db2.gz NDONZYZJMOGBPK-YPMHNXCESA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000376021024 150517501 /nfs/dbraw/zinc/51/75/01/150517501.db2.gz YXURPURIONGESL-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(C)C[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351845738 286231376 /nfs/dbraw/zinc/23/13/76/286231376.db2.gz VJFWJOXQZMJAMA-UHFFFAOYSA-N 1 0 313.348 2.647 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351942369 286251665 /nfs/dbraw/zinc/25/16/65/286251665.db2.gz FSHYNBYMSZSAOH-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc(CN2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000351970947 286257519 /nfs/dbraw/zinc/25/75/19/286257519.db2.gz MKKZEQQJGIIFHE-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352045059 286278767 /nfs/dbraw/zinc/27/87/67/286278767.db2.gz IWKYISWFPQNXSE-LLVKDONJSA-N 1 0 313.348 2.789 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352073421 286285628 /nfs/dbraw/zinc/28/56/28/286285628.db2.gz GRURSIHAUFZNQM-ZDUSSCGKSA-N 1 0 321.421 2.719 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849911 296670328 /nfs/dbraw/zinc/67/03/28/296670328.db2.gz OGFSLMZYGOZOEJ-ZFWWWQNUSA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360077 286353073 /nfs/dbraw/zinc/35/30/73/286353073.db2.gz LOKAEPJQRLXRHS-IUODEOHRSA-N 1 0 314.389 2.919 20 5 DFBDRO CC(C)[C@@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000352422260 286369229 /nfs/dbraw/zinc/36/92/29/286369229.db2.gz QPSUNKVSHUZHRT-HNNXBMFYSA-N 1 0 313.348 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(F)ccc(O)c2F)cc1 ZINC000352442195 286375121 /nfs/dbraw/zinc/37/51/21/286375121.db2.gz LWVWQRKXSJRUOI-UHFFFAOYSA-N 1 0 308.284 2.911 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]([C@@H](C)CO)C1CCCC1 ZINC000276480403 286384149 /nfs/dbraw/zinc/38/41/49/286384149.db2.gz SAEFGPJHHSFRNX-LBPRGKRZSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000246214768 292288491 /nfs/dbraw/zinc/28/84/91/292288491.db2.gz ASBVDWGSGIXGQI-DZGCQCFKSA-N 1 0 316.405 2.751 20 5 DFBDRO COc1cc(CN2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000352526097 286398351 /nfs/dbraw/zinc/39/83/51/286398351.db2.gz KCZCAKMHTORCEZ-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000353208161 286579599 /nfs/dbraw/zinc/57/95/99/286579599.db2.gz KEZGCQLEDDFFSJ-GFCCVEGCSA-N 1 0 324.377 2.671 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC000429249336 296738642 /nfs/dbraw/zinc/73/86/42/296738642.db2.gz AREWFAJLIILXHR-CYBMUJFWSA-N 1 0 314.341 2.566 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000182070814 158000727 /nfs/dbraw/zinc/00/07/27/158000727.db2.gz LEKZXWDOQVEEMN-GFCCVEGCSA-N 1 0 306.362 2.677 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246322606 158085009 /nfs/dbraw/zinc/08/50/09/158085009.db2.gz FQUUDZLHGUATBF-TZMCWYRMSA-N 1 0 320.393 2.753 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c1 ZINC000247922606 158152398 /nfs/dbraw/zinc/15/23/98/158152398.db2.gz BIVXLHGUCWPBIK-WMLDXEAASA-N 1 0 320.389 2.601 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000248563325 158184231 /nfs/dbraw/zinc/18/42/31/158184231.db2.gz NVCQAIHODSWGMZ-TUVASFSCSA-N 1 0 322.405 2.749 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354983024 158248524 /nfs/dbraw/zinc/24/85/24/158248524.db2.gz NPNZTUKRIFTYHJ-ARFHVFGLSA-N 1 0 308.378 2.830 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354983026 158248587 /nfs/dbraw/zinc/24/85/87/158248587.db2.gz NPNZTUKRIFTYHJ-HRCADAONSA-N 1 0 308.378 2.830 20 5 DFBDRO CCOc1cc(N(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356748268 158312358 /nfs/dbraw/zinc/31/23/58/158312358.db2.gz VDFHVKGTQDMHHD-AWEZNQCLSA-N 1 0 305.378 2.666 20 5 DFBDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082054 158361563 /nfs/dbraw/zinc/36/15/63/158361563.db2.gz WRVQRPMQOBJTGQ-CABCVRRESA-N 1 0 324.425 2.707 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000358382785 158374479 /nfs/dbraw/zinc/37/44/79/158374479.db2.gz OQSQZTNJUHPUHE-OLZOCXBDSA-N 1 0 302.378 2.919 20 5 DFBDRO CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000493696374 299811129 /nfs/dbraw/zinc/81/11/29/299811129.db2.gz QZAJLVVPVZNWPX-FEAKQIBJSA-N 1 0 317.389 2.599 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493725445 299816752 /nfs/dbraw/zinc/81/67/52/299816752.db2.gz OMCDBFRGYKOGGI-KTKRTIGZSA-N 1 0 319.405 2.845 20 5 DFBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000053123713 425886754 /nfs/dbraw/zinc/88/67/54/425886754.db2.gz BYYCCJNQRSTCIW-UHFFFAOYSA-N 1 0 307.394 2.998 20 5 DFBDRO C[NH2+]C1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000430931759 296813245 /nfs/dbraw/zinc/81/32/45/296813245.db2.gz DLFABIRJKCNWOT-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000090538168 287030840 /nfs/dbraw/zinc/03/08/40/287030840.db2.gz VDRLSAJVMWZYBF-CYBMUJFWSA-N 1 0 302.378 2.747 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133918483 196345970 /nfs/dbraw/zinc/34/59/70/196345970.db2.gz JCPKDVJCYAHKRC-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000054460355 425890700 /nfs/dbraw/zinc/89/07/00/425890700.db2.gz PMBIFMFEUFNQMR-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1nc(N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296689997 226126285 /nfs/dbraw/zinc/12/62/85/226126285.db2.gz CRXUMOQFGYUPNR-WFASDCNBSA-N 1 0 315.377 2.797 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)(C)C ZINC000291171425 222192169 /nfs/dbraw/zinc/19/21/69/222192169.db2.gz GYYUJAUDTDKRAX-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)c1 ZINC000299163878 228973907 /nfs/dbraw/zinc/97/39/07/228973907.db2.gz NDUIQRGNLKDBBE-OAHLLOKOSA-N 1 0 318.348 2.675 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c(F)c1 ZINC000301255391 229589170 /nfs/dbraw/zinc/58/91/70/229589170.db2.gz DCLLUUGMHZYUPO-GFCCVEGCSA-N 1 0 323.368 2.647 20 5 DFBDRO C[NH+](C)CC1(CNc2cc(CO)ccc2[N+](=O)[O-])CCCC1 ZINC000302168266 230138264 /nfs/dbraw/zinc/13/82/64/230138264.db2.gz SMMPXQGUSDYWSV-UHFFFAOYSA-N 1 0 307.394 2.621 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000302223715 230177628 /nfs/dbraw/zinc/17/76/28/230177628.db2.gz NOIIVJIECPKLMJ-SKDRFNHKSA-N 1 0 315.320 2.583 20 5 DFBDRO Cc1cccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302507681 230274720 /nfs/dbraw/zinc/27/47/20/230274720.db2.gz RGENSXNKABNGRD-KBPBESRZSA-N 1 0 307.394 2.814 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066535386 425904716 /nfs/dbraw/zinc/90/47/16/425904716.db2.gz CEJPZDRLBNTCCK-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067376958 425910116 /nfs/dbraw/zinc/91/01/16/425910116.db2.gz NEZMVJQUTRLDRQ-CZUORRHYSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000067611816 425911626 /nfs/dbraw/zinc/91/16/26/425911626.db2.gz IPSIMKRWDSFFSH-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCNC(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000102419936 425920939 /nfs/dbraw/zinc/92/09/39/425920939.db2.gz LNUASNGOUZVUSA-UHFFFAOYSA-N 1 0 319.386 2.549 20 5 DFBDRO CC(C)[C@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178114762 267656509 /nfs/dbraw/zinc/65/65/09/267656509.db2.gz YFUWZZVNYVOFOH-DOTOQJQBSA-N 1 0 306.406 2.913 20 5 DFBDRO C[NH+](C)C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007816475 425651788 /nfs/dbraw/zinc/65/17/88/425651788.db2.gz NJDGZOAFMBGPIM-MRXNPFEDSA-N 1 0 313.357 2.628 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007811851 425653320 /nfs/dbraw/zinc/65/33/20/425653320.db2.gz VMMKOLCYTJEOMQ-TXEJJXNPSA-N 1 0 305.378 2.820 20 5 DFBDRO [NH3+]CC1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000044514745 425856772 /nfs/dbraw/zinc/85/67/72/425856772.db2.gz ZXEARIFIIQHCMS-UHFFFAOYSA-N 1 0 303.284 2.789 20 5 DFBDRO C[NH+](C)Cc1cccc(NC(=O)c2csc([N+](=O)[O-])c2)c1 ZINC000044504066 425856963 /nfs/dbraw/zinc/85/69/63/425856963.db2.gz RVIIKDQUJLYRQW-UHFFFAOYSA-N 1 0 305.359 2.970 20 5 DFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ncc([N+](=O)[O-])s2)c1 ZINC000192488897 268038851 /nfs/dbraw/zinc/03/88/51/268038851.db2.gz HWOOFAWPUUZDGH-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO CC(C)[N@H+](CCN1CCOC[C@@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000192701074 268045500 /nfs/dbraw/zinc/04/55/00/268045500.db2.gz RCXBPMHCZWATHN-HNNXBMFYSA-N 1 0 321.421 2.526 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000194567713 268107691 /nfs/dbraw/zinc/10/76/91/268107691.db2.gz TYKXOJWDEGKEBV-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245447897 268164167 /nfs/dbraw/zinc/16/41/67/268164167.db2.gz MLTQJZAWPVPEJZ-TZMCWYRMSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000276376442 268261256 /nfs/dbraw/zinc/26/12/56/268261256.db2.gz FGJROLVQXORJLV-CYBMUJFWSA-N 1 0 318.377 2.524 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000289541969 268280523 /nfs/dbraw/zinc/28/05/23/268280523.db2.gz WXJGAMYHPIFPES-YSVLISHTSA-N 1 0 304.390 2.667 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296975732 268307168 /nfs/dbraw/zinc/30/71/68/268307168.db2.gz SNMAYILDFPCOBC-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO COc1ccc(C[NH2+][C@H](Cn2cccn2)C(C)C)cc1[N+](=O)[O-] ZINC000297958558 268311957 /nfs/dbraw/zinc/31/19/57/268311957.db2.gz ZEPBSOXCKYCZOW-CQSZACIVSA-N 1 0 318.377 2.614 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000298654170 268315893 /nfs/dbraw/zinc/31/58/93/268315893.db2.gz PFNGMJORPXQTMQ-ZDUSSCGKSA-N 1 0 319.386 2.689 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000313362955 268339953 /nfs/dbraw/zinc/33/99/53/268339953.db2.gz MBGNCEYBUJKBNR-SFHVURJKSA-N 1 0 311.385 2.784 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000316944228 268345104 /nfs/dbraw/zinc/34/51/04/268345104.db2.gz WEUKTAZBHAOURX-LLVKDONJSA-N 1 0 309.366 2.524 20 5 DFBDRO [NH3+][C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000319493798 268346425 /nfs/dbraw/zinc/34/64/25/268346425.db2.gz VELWRVCBZBJCRF-QWHCGFSZSA-N 1 0 318.764 2.574 20 5 DFBDRO CCCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000319750074 268346565 /nfs/dbraw/zinc/34/65/65/268346565.db2.gz JBHVLMAEVBMNOG-SREVYHEPSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000319943459 268347504 /nfs/dbraw/zinc/34/75/04/268347504.db2.gz SOCIQEQDUNVVHN-GFCCVEGCSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[S@@](C)=O ZINC000332721899 268364151 /nfs/dbraw/zinc/36/41/51/268364151.db2.gz SAGUEJZOHDLRNC-GKABBXAVSA-N 1 0 310.419 2.719 20 5 DFBDRO CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000071794355 425988774 /nfs/dbraw/zinc/98/87/74/425988774.db2.gz SGSFJJIXAZMUMO-MRXNPFEDSA-N 1 0 324.421 2.949 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107600163 425996254 /nfs/dbraw/zinc/99/62/54/425996254.db2.gz AAYSDFHVNLIURJ-GFCCVEGCSA-N 1 0 323.418 2.665 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107634652 425997478 /nfs/dbraw/zinc/99/74/78/425997478.db2.gz MLBOTLXVOKPFMU-AWEZNQCLSA-N 1 0 317.389 2.685 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000107686540 425999130 /nfs/dbraw/zinc/99/91/30/425999130.db2.gz ICQBPTQNXXYHTK-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)cc([N+](=O)[O-])c1 ZINC000337337478 268479081 /nfs/dbraw/zinc/47/90/81/268479081.db2.gz DYWMFBQNOBKIIG-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000073101964 426023622 /nfs/dbraw/zinc/02/36/22/426023622.db2.gz MBQGBZQJSZFGIH-WFASDCNBSA-N 1 0 317.389 2.848 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000110509796 426033849 /nfs/dbraw/zinc/03/38/49/426033849.db2.gz XXDVYLARVACWKZ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1Cl ZINC000074001246 426037122 /nfs/dbraw/zinc/03/71/22/426037122.db2.gz RYAAOCVKPYJIAY-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1ccnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161915451 426045478 /nfs/dbraw/zinc/04/54/78/426045478.db2.gz ADLZSASRSVWQDM-UKRRQHHQSA-N 1 0 316.405 2.751 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000112310996 426072291 /nfs/dbraw/zinc/07/22/91/426072291.db2.gz GKEUVYGUAWMNEI-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112080148 426064710 /nfs/dbraw/zinc/06/47/10/426064710.db2.gz FTWNCUFTNDMBEM-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860755 426087589 /nfs/dbraw/zinc/08/75/89/426087589.db2.gz LUPMTCNCZAQGDJ-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO CC1(C)CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000076015517 426093125 /nfs/dbraw/zinc/09/31/25/426093125.db2.gz AFRGVMAAUSUXJL-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367586 426098077 /nfs/dbraw/zinc/09/80/77/426098077.db2.gz NGOKILNRHDJJRN-HOCLYGCPSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000112983698 426099649 /nfs/dbraw/zinc/09/96/49/426099649.db2.gz NTZXAYBXBKSHEF-UHFFFAOYSA-N 1 0 311.769 2.919 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](CC)CC2CC2)c([N+](=O)[O-])c1 ZINC000112983872 426101146 /nfs/dbraw/zinc/10/11/46/426101146.db2.gz SWBLXVRNPDHMHZ-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO COC[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113310989 426111467 /nfs/dbraw/zinc/11/14/67/426111467.db2.gz HUXZUPXTOSBNLQ-SNVBAGLBSA-N 1 0 307.375 2.843 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCCO3)cs2)c1 ZINC000113312831 426111718 /nfs/dbraw/zinc/11/17/18/426111718.db2.gz OMMACGBRSMLKEM-CQSZACIVSA-N 1 0 319.386 2.987 20 5 DFBDRO CCC[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342261 426112675 /nfs/dbraw/zinc/11/26/75/426112675.db2.gz YQJDSBAPZIZOQK-AWEZNQCLSA-N 1 0 321.402 2.969 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000077305458 426126111 /nfs/dbraw/zinc/12/61/11/426126111.db2.gz WXOGFCOANXPLTA-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000166460142 426127384 /nfs/dbraw/zinc/12/73/84/426127384.db2.gz JPDDLEACCBFEHN-MRVWCRGKSA-N 1 0 308.378 2.748 20 5 DFBDRO CCc1nc2n(n1)CCC[C@H]2N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167718810 426133073 /nfs/dbraw/zinc/13/30/73/426133073.db2.gz RSHUBPAUEBDZEH-BXUZGUMPSA-N 1 0 315.377 2.934 20 5 DFBDRO CC[C@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077453302 426133949 /nfs/dbraw/zinc/13/39/49/426133949.db2.gz OSPSMSRXDQFTEJ-GFCCVEGCSA-N 1 0 321.402 2.969 20 5 DFBDRO Cc1cc(N[C@H](C)C[S@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000168071851 426134343 /nfs/dbraw/zinc/13/43/43/426134343.db2.gz TZUWZTLJWSSYPT-LADRHHBVSA-N 1 0 307.375 2.630 20 5 DFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000128832802 426134747 /nfs/dbraw/zinc/13/47/47/426134747.db2.gz ZCYPEPUDWTXCCY-WDEREUQCSA-N 1 0 309.341 2.793 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458732 426136250 /nfs/dbraw/zinc/13/62/50/426136250.db2.gz SITFPXBHGVOCAT-IAGOWNOFSA-N 1 0 322.405 2.989 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075503410 426075132 /nfs/dbraw/zinc/07/51/32/426075132.db2.gz GSVCYITYFQYPIK-AWEZNQCLSA-N 1 0 320.393 2.933 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075537915 426075979 /nfs/dbraw/zinc/07/59/79/426075979.db2.gz IRLLQSFEBJYUSO-ZDUSSCGKSA-N 1 0 320.393 2.790 20 5 DFBDRO CCC[NH+](CCC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000075634262 426079123 /nfs/dbraw/zinc/07/91/23/426079123.db2.gz IBKQUHBGTCTMNJ-UHFFFAOYSA-N 1 0 305.378 2.606 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835109 426086877 /nfs/dbraw/zinc/08/68/77/426086877.db2.gz UJTBVGCFVUGGIH-MRXNPFEDSA-N 1 0 303.406 2.903 20 5 DFBDRO CC[NH+](CC)CCCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639208 426141919 /nfs/dbraw/zinc/14/19/19/426141919.db2.gz PCBBOVCJDUZGRZ-UHFFFAOYSA-N 1 0 320.393 2.623 20 5 DFBDRO CCC(CC)C[N@H+](CC)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000114725746 426142403 /nfs/dbraw/zinc/14/24/03/426142403.db2.gz YSDBPBVSRAXTHL-UHFFFAOYSA-N 1 0 307.394 2.952 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(C2OCCO2)CC1 ZINC000130055538 426145571 /nfs/dbraw/zinc/14/55/71/426145571.db2.gz VTFDGVJJAFYTCH-HWKANZROSA-N 1 0 318.373 2.693 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000170695197 426146207 /nfs/dbraw/zinc/14/62/07/426146207.db2.gz IFBKHSXYBWTBLJ-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521492 426166608 /nfs/dbraw/zinc/16/66/08/426166608.db2.gz XBLAWABBXXSSKU-ZIAGYGMSSA-N 1 0 322.409 2.539 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000078420184 426169248 /nfs/dbraw/zinc/16/92/48/426169248.db2.gz BIAJHLDSQPFLQG-HNNXBMFYSA-N 1 0 303.362 2.889 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116130055 426180731 /nfs/dbraw/zinc/18/07/31/426180731.db2.gz YKEPTUQADHAQPL-HNNXBMFYSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319854 426188145 /nfs/dbraw/zinc/18/81/45/426188145.db2.gz RGLQYIKDZKXXSJ-OCCSQVGLSA-N 1 0 300.362 2.879 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000079625481 426198800 /nfs/dbraw/zinc/19/88/00/426198800.db2.gz DIWXOEDQBCOFHI-LBPRGKRZSA-N 1 0 320.393 2.757 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617405 426199600 /nfs/dbraw/zinc/19/96/00/426199600.db2.gz OZZZLPBTEWYWMJ-WFASDCNBSA-N 1 0 301.350 2.584 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171951195 426219991 /nfs/dbraw/zinc/21/99/91/426219991.db2.gz KTNVTHKCXLGHAQ-IUODEOHRSA-N 1 0 305.378 2.678 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000171952516 426220579 /nfs/dbraw/zinc/22/05/79/426220579.db2.gz XHYOEQSIRMOZIW-LBPRGKRZSA-N 1 0 323.393 2.910 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570442 426224610 /nfs/dbraw/zinc/22/46/10/426224610.db2.gz KIDMYYRWWRNCIH-CQSZACIVSA-N 1 0 321.421 2.767 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572618 426224685 /nfs/dbraw/zinc/22/46/85/426224685.db2.gz BLJOLDJRGNQZAH-MRXNPFEDSA-N 1 0 305.422 2.801 20 5 DFBDRO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173319949 426238080 /nfs/dbraw/zinc/23/80/80/426238080.db2.gz QKEQAMSWRCTVNE-LBPRGKRZSA-N 1 0 300.362 2.907 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137076926 426250268 /nfs/dbraw/zinc/25/02/68/426250268.db2.gz TYNWFFYSNKFGLN-WDEREUQCSA-N 1 0 323.780 2.557 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000174972357 426270828 /nfs/dbraw/zinc/27/08/28/426270828.db2.gz QMDXIWXNPUTILG-HUUCEWRRSA-N 1 0 317.389 2.602 20 5 DFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CCC1 ZINC000117341188 426212301 /nfs/dbraw/zinc/21/23/01/426212301.db2.gz URHOKXJJGPYPIE-UHFFFAOYSA-N 1 0 319.361 2.625 20 5 DFBDRO C[N@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000135310837 426212712 /nfs/dbraw/zinc/21/27/12/426212712.db2.gz FPXQDLZRPMKUJC-UHFFFAOYSA-N 1 0 311.769 2.919 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135302339 426213236 /nfs/dbraw/zinc/21/32/36/426213236.db2.gz SLFSLQAAVPSJQT-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000091099515 426339598 /nfs/dbraw/zinc/33/95/98/426339598.db2.gz ICUPOAACEPZUKK-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000089728664 426305225 /nfs/dbraw/zinc/30/52/25/426305225.db2.gz QUPOTAMKHVDKLH-TZMCWYRMSA-N 1 0 305.378 2.563 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCCCO)CC2)cc1 ZINC000175776493 426327101 /nfs/dbraw/zinc/32/71/01/426327101.db2.gz RNHVXHIEGPEPKK-UHFFFAOYSA-N 1 0 322.405 2.991 20 5 DFBDRO CCOC(=O)CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088607636 426277385 /nfs/dbraw/zinc/27/73/85/426277385.db2.gz UFJFQIPRKDTTLK-UHFFFAOYSA-N 1 0 306.362 2.686 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000175114740 426280457 /nfs/dbraw/zinc/28/04/57/426280457.db2.gz KHDQSJUQBQWVIG-UHFFFAOYSA-N 1 0 319.405 2.942 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000119362888 426283162 /nfs/dbraw/zinc/28/31/62/426283162.db2.gz QGKLKMCSWWOVCF-ZDUSSCGKSA-N 1 0 319.405 2.952 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000153616911 426396068 /nfs/dbraw/zinc/39/60/68/426396068.db2.gz YRIYRLYCOSWRDL-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000153681958 426399391 /nfs/dbraw/zinc/39/93/91/426399391.db2.gz YUNDVYOSVIKVMS-UHFFFAOYSA-N 1 0 320.393 2.851 20 5 DFBDRO COCC[N@H+](C)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758741 426404119 /nfs/dbraw/zinc/40/41/19/426404119.db2.gz HYXYEBKSEDHYSQ-AWEZNQCLSA-N 1 0 309.410 2.522 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC3(CCCCC3)C2)n1 ZINC000175970365 426342838 /nfs/dbraw/zinc/34/28/38/426342838.db2.gz HFLUUQIWLVGZDW-UHFFFAOYSA-N 1 0 310.423 2.543 20 5 DFBDRO Cc1nc(N2CC[NH+](C3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000152441850 426343073 /nfs/dbraw/zinc/34/30/73/426343073.db2.gz LKVXWTWTAYFXRQ-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121444893 426343754 /nfs/dbraw/zinc/34/37/54/426343754.db2.gz HOBPPTAJBQJTNT-STQMWFEESA-N 1 0 307.394 2.859 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1c(F)cc([N+](=O)[O-])cc1F ZINC000121757729 426352525 /nfs/dbraw/zinc/35/25/25/426352525.db2.gz QXYDHTSGEMWABM-MNOVXSKESA-N 1 0 311.332 2.936 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCn2cccn2)cc1[N+](=O)[O-] ZINC000152766579 426353454 /nfs/dbraw/zinc/35/34/54/426353454.db2.gz BEJYWKGNYOIHIA-CYBMUJFWSA-N 1 0 318.377 2.931 20 5 DFBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176208494 426360885 /nfs/dbraw/zinc/36/08/85/426360885.db2.gz RTVLVGBXGYSXTD-GFCCVEGCSA-N 1 0 306.391 2.862 20 5 DFBDRO COCCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000122469530 426376878 /nfs/dbraw/zinc/37/68/78/426376878.db2.gz ZOFOXXGUXOKWDC-UHFFFAOYSA-N 1 0 308.378 2.612 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228629 426377105 /nfs/dbraw/zinc/37/71/05/426377105.db2.gz XESQUOYCXARSTK-UKRRQHHQSA-N 1 0 321.421 2.522 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3C[C@H]4CCC[C@@H]4C3)o2)cc1 ZINC000153228314 426377291 /nfs/dbraw/zinc/37/72/91/426377291.db2.gz DBIUTJVNJGBNAD-CHWSQXEVSA-N 1 0 314.345 2.877 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122508063 426379890 /nfs/dbraw/zinc/37/98/90/426379890.db2.gz LJJKMJYGIGAQBC-OLZOCXBDSA-N 1 0 305.378 2.901 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000122999856 426407791 /nfs/dbraw/zinc/40/77/91/426407791.db2.gz ANOPXALESQJDGC-OLZOCXBDSA-N 1 0 305.378 2.901 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153922062 426413826 /nfs/dbraw/zinc/41/38/26/426413826.db2.gz ABINWUDBZFUDDE-NEPJUHHUSA-N 1 0 310.785 2.706 20 5 DFBDRO CS[C@@H](CO)[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154189346 426428881 /nfs/dbraw/zinc/42/88/81/426428881.db2.gz BJSWUZVMICNWPF-WPGHFRTFSA-N 1 0 324.446 2.618 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123416465 426432242 /nfs/dbraw/zinc/43/22/42/426432242.db2.gz SNBFJOXVBKHOHH-LBPRGKRZSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123415597 426432313 /nfs/dbraw/zinc/43/23/13/426432313.db2.gz QWOVLWLLEPVBGF-QTPKMNKOSA-N 1 0 317.389 2.549 20 5 DFBDRO CN1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154520386 426443587 /nfs/dbraw/zinc/44/35/87/426443587.db2.gz LUPQONSVDYBHNA-CVEARBPZSA-N 1 0 303.406 2.600 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000341060429 269036428 /nfs/dbraw/zinc/03/64/28/269036428.db2.gz NQRBTTAWEQIJHK-CHWSQXEVSA-N 1 0 305.378 2.588 20 5 DFBDRO Cc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000341066650 269037595 /nfs/dbraw/zinc/03/75/95/269037595.db2.gz WRRCWCQIONLKDU-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000341068152 269037984 /nfs/dbraw/zinc/03/79/84/269037984.db2.gz YFYRTKPFSAQVFK-OKILXGFUSA-N 1 0 319.405 2.516 20 5 DFBDRO COC1CCN(C(C)(C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000341285526 269060536 /nfs/dbraw/zinc/06/05/36/269060536.db2.gz KSGMQZNTWVBIRB-UHFFFAOYSA-N 1 0 321.421 2.574 20 5 DFBDRO CS[C@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154663491 426450924 /nfs/dbraw/zinc/45/09/24/426450924.db2.gz WJQVJFXOXDEXEX-GJZGRUSLSA-N 1 0 310.419 2.846 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000177250303 426460744 /nfs/dbraw/zinc/46/07/44/426460744.db2.gz LOEOOYCSPKHXCK-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465539 /nfs/dbraw/zinc/46/55/39/426465539.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 1 0 303.406 2.696 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000177464255 426481553 /nfs/dbraw/zinc/48/15/53/426481553.db2.gz XCZYNUZLRDCYCR-BWLFODOESA-N 1 0 317.389 2.597 20 5 DFBDRO CCCC(=O)N[C@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000101563498 426484538 /nfs/dbraw/zinc/48/45/38/426484538.db2.gz NJLZZXDYYXOTBR-LBPRGKRZSA-N 1 0 311.407 2.537 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000102068890 426487755 /nfs/dbraw/zinc/48/77/55/426487755.db2.gz CLXYIJXVJAGUSP-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264163170 426508361 /nfs/dbraw/zinc/50/83/61/426508361.db2.gz IRDVMRCLTUDCBE-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000280154356 426508499 /nfs/dbraw/zinc/50/84/99/426508499.db2.gz DXAINJXBYPDITE-OAHLLOKOSA-N 1 0 323.349 2.894 20 5 DFBDRO CC[N@H+](CCOC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000264188282 426511981 /nfs/dbraw/zinc/51/19/81/426511981.db2.gz LXPGRAHDDFBKKG-UHFFFAOYSA-N 1 0 319.361 2.761 20 5 DFBDRO C[C@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000177741177 426513360 /nfs/dbraw/zinc/51/33/60/426513360.db2.gz NWLNZDFUJKPPAO-YPRXJGMQSA-N 1 0 317.389 2.693 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000186450842 426529450 /nfs/dbraw/zinc/52/94/50/426529450.db2.gz MGSNOVAEOVFOLA-OCCSQVGLSA-N 1 0 321.377 2.785 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177849077 426530525 /nfs/dbraw/zinc/53/05/25/426530525.db2.gz JECIJRYJIBUNSO-CYBMUJFWSA-N 1 0 307.394 2.926 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000177874965 426531931 /nfs/dbraw/zinc/53/19/31/426531931.db2.gz QBKPBNOWQWXUGW-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177869966 426533375 /nfs/dbraw/zinc/53/33/75/426533375.db2.gz XOXULYQGNWYATA-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000288817251 426537187 /nfs/dbraw/zinc/53/71/87/426537187.db2.gz MVFNFGZBHOZUFO-KRWDZBQOSA-N 1 0 322.405 2.978 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000194678027 426490642 /nfs/dbraw/zinc/49/06/42/426490642.db2.gz BIHNPJVGRGLOLV-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000280461682 426581212 /nfs/dbraw/zinc/58/12/12/426581212.db2.gz ZXBUUYBFFCDNIB-NOLJZWGESA-N 1 0 320.389 2.705 20 5 DFBDRO Cc1cccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273071501 426587599 /nfs/dbraw/zinc/58/75/99/426587599.db2.gz JLACMMVKYLHXND-OAHLLOKOSA-N 1 0 300.362 2.589 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000265186159 426593249 /nfs/dbraw/zinc/59/32/49/426593249.db2.gz XNXCENYWHXMHDT-INIZCTEOSA-N 1 0 322.311 2.870 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000178255324 426594332 /nfs/dbraw/zinc/59/43/32/426594332.db2.gz DWQBZCNBRZTNNO-ZIAGYGMSSA-N 1 0 322.409 2.600 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000265195917 426595381 /nfs/dbraw/zinc/59/53/81/426595381.db2.gz ZINOSWTZUAREIV-KRWDZBQOSA-N 1 0 300.358 2.803 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2ccc(F)cc2)cc1 ZINC000273125230 426598427 /nfs/dbraw/zinc/59/84/27/426598427.db2.gz QJIRCUJLTLVRJL-MRXNPFEDSA-N 1 0 304.321 2.600 20 5 DFBDRO Cc1ccnc(N2CCC([NH+]3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000265256982 426606385 /nfs/dbraw/zinc/60/63/85/426606385.db2.gz RWPAKGDJDRJATJ-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000273299663 426637768 /nfs/dbraw/zinc/63/77/68/426637768.db2.gz RDYMSBIFERJDJI-ACCUITESSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365795 426652120 /nfs/dbraw/zinc/65/21/20/426652120.db2.gz FYUFJZAHXVOSDQ-HZMBPMFUSA-N 1 0 324.356 2.538 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273372971 426652188 /nfs/dbraw/zinc/65/21/88/426652188.db2.gz GYGITJMSZQHWER-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO CC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000233519129 426655757 /nfs/dbraw/zinc/65/57/57/426655757.db2.gz DXZQOJJQSZKVFW-UHFFFAOYSA-N 1 0 302.172 2.687 20 5 DFBDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178643425 426668727 /nfs/dbraw/zinc/66/87/27/426668727.db2.gz VFFJIOQRVPAANS-NSHDSACASA-N 1 0 302.378 2.838 20 5 DFBDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178661626 426671211 /nfs/dbraw/zinc/67/12/11/426671211.db2.gz OBJHEQDECDIUKM-GFCCVEGCSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178673878 426673175 /nfs/dbraw/zinc/67/31/75/426673175.db2.gz QSIAIYDMHRJMKV-BXUZGUMPSA-N 1 0 307.394 2.939 20 5 DFBDRO COc1cc(CN(C)C[C@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000274214586 426725019 /nfs/dbraw/zinc/72/50/19/426725019.db2.gz BJBZYNILHDZBGX-GFCCVEGCSA-N 1 0 312.341 2.743 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000245432004 426736006 /nfs/dbraw/zinc/73/60/06/426736006.db2.gz OKRUTAYZFHTYCP-HOTGVXAUSA-N 1 0 303.406 2.962 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669108 426760664 /nfs/dbraw/zinc/76/06/64/426760664.db2.gz ONNBDJRSIMFYGV-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cnc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c([N+](=O)[O-])c1 ZINC000266695268 426763429 /nfs/dbraw/zinc/76/34/29/426763429.db2.gz FOQHKKRRCKTHMX-KGLIPLIRSA-N 1 0 304.394 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000266695125 426764037 /nfs/dbraw/zinc/76/40/37/426764037.db2.gz FJNBUNSFNLRJQS-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000188926853 426800330 /nfs/dbraw/zinc/80/03/30/426800330.db2.gz UPANMXACKQEWCS-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO CC1CC([NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000266967387 426805118 /nfs/dbraw/zinc/80/51/18/426805118.db2.gz MNYDGIIARTVGFS-UHFFFAOYSA-N 1 0 300.362 2.883 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274660307 426813026 /nfs/dbraw/zinc/81/30/26/426813026.db2.gz FJJGMFGNVJKOCJ-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189083558 426816113 /nfs/dbraw/zinc/81/61/13/426816113.db2.gz FIRIYBMORNRJAG-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267054935 426818460 /nfs/dbraw/zinc/81/84/60/426818460.db2.gz OPJDHFOXBWQNRE-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1ccccc1 ZINC000267088618 426822400 /nfs/dbraw/zinc/82/24/00/426822400.db2.gz PJAKYTJHCXXCSW-AWEZNQCLSA-N 1 0 318.377 2.501 20 5 DFBDRO CCc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000267092499 426823122 /nfs/dbraw/zinc/82/31/22/426823122.db2.gz QKEXHUQHWHUIOQ-CYBMUJFWSA-N 1 0 304.350 2.784 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H]3CCCO3)CC2)cc1 ZINC000189150603 426824700 /nfs/dbraw/zinc/82/47/00/426824700.db2.gz XJEHQWFPUDWGFJ-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO CNC(=O)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266912213 426794137 /nfs/dbraw/zinc/79/41/37/426794137.db2.gz DNBODSPELBBHNL-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000295338872 426915126 /nfs/dbraw/zinc/91/51/26/426915126.db2.gz CSPUMPXISKLKFH-MQMHXKEQSA-N 1 0 308.378 2.634 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295197884 426859078 /nfs/dbraw/zinc/85/90/78/426859078.db2.gz JUYOCSHSDSDJHP-HNNXBMFYSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267996285 426888684 /nfs/dbraw/zinc/88/86/84/426888684.db2.gz RBSUGFCIVIHGJD-NXEZZACHSA-N 1 0 323.780 2.603 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000268044929 426897954 /nfs/dbraw/zinc/89/79/54/426897954.db2.gz LZHWZZATIDNXFD-UHFFFAOYSA-N 1 0 321.421 2.766 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000189693732 426926286 /nfs/dbraw/zinc/92/62/86/426926286.db2.gz YQPFUKUWMMWKGP-GFCCVEGCSA-N 1 0 319.405 2.931 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000247199895 426914078 /nfs/dbraw/zinc/91/40/78/426914078.db2.gz LOAXZBSFGYUDNC-JQWIXIFHSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1F ZINC000283064287 426945759 /nfs/dbraw/zinc/94/57/59/426945759.db2.gz JQXAKCLTUBOOHA-CJNGLKHVSA-N 1 0 308.353 2.861 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181444526 426948663 /nfs/dbraw/zinc/94/86/63/426948663.db2.gz QKSNYRZNKHYYOK-BBRMVZONSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247531681 426950323 /nfs/dbraw/zinc/95/03/23/426950323.db2.gz XOWGTDXGWVXDMP-PWSUYJOCSA-N 1 0 323.780 2.557 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000247541288 426951063 /nfs/dbraw/zinc/95/10/63/426951063.db2.gz YALOGASTWJCOLL-NHYWBVRUSA-N 1 0 323.368 2.536 20 5 DFBDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000189807394 426954530 /nfs/dbraw/zinc/95/45/30/426954530.db2.gz HEISLVCMJGBALR-TZMCWYRMSA-N 1 0 323.393 2.573 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000317340226 426955031 /nfs/dbraw/zinc/95/50/31/426955031.db2.gz XXUDBRPMFPIYJS-CQSZACIVSA-N 1 0 302.378 2.953 20 5 DFBDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189812392 426955356 /nfs/dbraw/zinc/95/53/56/426955356.db2.gz TULRLEMNEAHSJU-SWLSCSKDSA-N 1 0 323.393 2.573 20 5 DFBDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189812424 426955616 /nfs/dbraw/zinc/95/56/16/426955616.db2.gz TULRLEMNEAHSJU-IUODEOHRSA-N 1 0 323.393 2.573 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000189802551 426955690 /nfs/dbraw/zinc/95/56/90/426955690.db2.gz CRBDWEXXRODEDJ-CYBMUJFWSA-N 1 0 319.405 2.742 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000181511420 426957473 /nfs/dbraw/zinc/95/74/73/426957473.db2.gz XFOLGZIPEXRUIT-QGZVFWFLSA-N 1 0 322.405 2.895 20 5 DFBDRO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000268253412 426967868 /nfs/dbraw/zinc/96/78/68/426967868.db2.gz ZVVKDCGYWUBQEX-LBPRGKRZSA-N 1 0 323.368 2.807 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000181637046 426969600 /nfs/dbraw/zinc/96/96/00/426969600.db2.gz VGHOGRRGOLTEPY-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1[NH+](C)C ZINC000268289936 426978914 /nfs/dbraw/zinc/97/89/14/426978914.db2.gz YKQKWUUGQVVKOA-BXKDBHETSA-N 1 0 315.320 2.583 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000248337359 426990075 /nfs/dbraw/zinc/99/00/75/426990075.db2.gz HJTWAAFDFWKQRF-MNOVXSKESA-N 1 0 302.334 2.875 20 5 DFBDRO C[C@@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000314827120 426930490 /nfs/dbraw/zinc/93/04/90/426930490.db2.gz RPQLLJCDMCHUBH-LBPRGKRZSA-N 1 0 303.284 2.789 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295550786 427003951 /nfs/dbraw/zinc/00/39/51/427003951.db2.gz SEKDSNJXGHIDNZ-CQSZACIVSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000337867760 427008623 /nfs/dbraw/zinc/00/86/23/427008623.db2.gz LSZRQNRALZXYTR-UHFFFAOYSA-N 1 0 323.356 2.524 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248582613 427015091 /nfs/dbraw/zinc/01/50/91/427015091.db2.gz WNJIFRDKFWEDKY-CJNGLKHVSA-N 1 0 317.389 2.822 20 5 DFBDRO CC[C@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295808000 427018961 /nfs/dbraw/zinc/01/89/61/427018961.db2.gz WOZWZYYQKVIMCQ-SNVBAGLBSA-N 1 0 306.284 2.816 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182172785 427021479 /nfs/dbraw/zinc/02/14/79/427021479.db2.gz YXJODQWBSUPICY-SMDDNHRTSA-N 1 0 309.797 2.917 20 5 DFBDRO Cc1nc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000268450075 427021944 /nfs/dbraw/zinc/02/19/44/427021944.db2.gz FPVCAAUPAPHBDS-INIZCTEOSA-N 1 0 312.373 2.791 20 5 DFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000248614998 427022567 /nfs/dbraw/zinc/02/25/67/427022567.db2.gz YSPXPRDZPFPRJB-BMFZPTHFSA-N 1 0 321.421 2.807 20 5 DFBDRO CCC[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000337911217 427031926 /nfs/dbraw/zinc/03/19/26/427031926.db2.gz IZXQYJUPHFSMSK-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[C@H](CCNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182221197 427032045 /nfs/dbraw/zinc/03/20/45/427032045.db2.gz PWCPYSBPOOUGEA-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190142772 427032020 /nfs/dbraw/zinc/03/20/20/427032020.db2.gz AUYFRKUTVPEJCK-LRDDRELGSA-N 1 0 319.405 2.804 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295974254 427032665 /nfs/dbraw/zinc/03/26/65/427032665.db2.gz KNDUUIODSOOLPX-AGUYFDCRSA-N 1 0 305.378 2.778 20 5 DFBDRO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000291941117 427033138 /nfs/dbraw/zinc/03/31/38/427033138.db2.gz MUBYERQGFXHSMU-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351140 427042772 /nfs/dbraw/zinc/04/27/72/427042772.db2.gz WJWUHBPBFIAOBC-AWEZNQCLSA-N 1 0 309.385 2.898 20 5 DFBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182291831 427048664 /nfs/dbraw/zinc/04/86/64/427048664.db2.gz FVLCMPZONWHYNK-JKSUJKDBSA-N 1 0 308.378 2.911 20 5 DFBDRO COc1ccc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000296069594 427067485 /nfs/dbraw/zinc/06/74/85/427067485.db2.gz PTIOQGIYEKYJPP-CYBMUJFWSA-N 1 0 319.405 2.520 20 5 DFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000296090538 427071528 /nfs/dbraw/zinc/07/15/28/427071528.db2.gz HMBOYKAJMGFICZ-BZUAXINKSA-N 1 0 322.405 2.810 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000190318636 427073500 /nfs/dbraw/zinc/07/35/00/427073500.db2.gz DVOMBVXUJQDQDC-LLVKDONJSA-N 1 0 310.354 2.905 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190338894 427078819 /nfs/dbraw/zinc/07/88/19/427078819.db2.gz YGRKUUMOUWQNFB-IIAWOOMASA-N 1 0 306.362 2.651 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000338001265 427085598 /nfs/dbraw/zinc/08/55/98/427085598.db2.gz RSKDSCUAAFIBOW-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000296131438 427086196 /nfs/dbraw/zinc/08/61/96/427086196.db2.gz WQCURYRCBDSEKD-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000338002585 427087091 /nfs/dbraw/zinc/08/70/91/427087091.db2.gz RSKDSCUAAFIBOW-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](C2CCC2)CC1 ZINC000296159434 427096230 /nfs/dbraw/zinc/09/62/30/427096230.db2.gz AQZYRPNBSRYCFC-UHFFFAOYSA-N 1 0 318.377 2.733 20 5 DFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268735839 427107490 /nfs/dbraw/zinc/10/74/90/427107490.db2.gz DFKYDUUPFQDJES-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000268795075 427118425 /nfs/dbraw/zinc/11/84/25/427118425.db2.gz BLHDJZBTWHKNCS-WCQYABFASA-N 1 0 323.368 2.663 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000296251999 427123376 /nfs/dbraw/zinc/12/33/76/427123376.db2.gz CXOCNJFDYCTILK-XHVZSJERSA-N 1 0 302.321 2.958 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000284040459 427125026 /nfs/dbraw/zinc/12/50/26/427125026.db2.gz JTNSJPONQCGSGC-UWVGGRQHSA-N 1 0 303.366 2.631 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000296338184 427150038 /nfs/dbraw/zinc/15/00/38/427150038.db2.gz RDDGWRRLIKKBEW-COLVAYQJSA-N 1 0 324.352 2.646 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156833528 271062545 /nfs/dbraw/zinc/06/25/45/271062545.db2.gz CYKGZLKXACWHSD-ZWNOBZJWSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000284239907 427162582 /nfs/dbraw/zinc/16/25/82/427162582.db2.gz VOJBALXHGRTQNQ-GJZGRUSLSA-N 1 0 321.333 2.550 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000173898547 271120410 /nfs/dbraw/zinc/12/04/10/271120410.db2.gz RZCUNBOAFRMKTM-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000175054332 271144949 /nfs/dbraw/zinc/14/49/49/271144949.db2.gz RRHSEGWIXXLRGV-DOTOQJQBSA-N 1 0 303.406 2.696 20 5 DFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(CO)c1 ZINC000270537312 271307038 /nfs/dbraw/zinc/30/70/38/271307038.db2.gz WSUZOWXFKOSKOC-ZDUSSCGKSA-N 1 0 300.358 2.980 20 5 DFBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272441283 271317943 /nfs/dbraw/zinc/31/79/43/271317943.db2.gz BDPWUQQXXUDRJQ-UKRRQHHQSA-N 1 0 308.378 2.586 20 5 DFBDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296537127 427217054 /nfs/dbraw/zinc/21/70/54/427217054.db2.gz DUOYWESHGMDWCC-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182954457 427173474 /nfs/dbraw/zinc/17/34/74/427173474.db2.gz LZSZSNWAJSTKEP-YWXMQNBFSA-N 1 0 305.378 2.608 20 5 DFBDRO Cc1nc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292334368 427177287 /nfs/dbraw/zinc/17/72/87/427177287.db2.gz PPAFSSJAMSSBAQ-LBPRGKRZSA-N 1 0 304.394 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1F ZINC000284336299 427183152 /nfs/dbraw/zinc/18/31/52/427183152.db2.gz XDPLFSSFVQNVEQ-RISCZKNCSA-N 1 0 323.368 2.501 20 5 DFBDRO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284333618 427184892 /nfs/dbraw/zinc/18/48/92/427184892.db2.gz MKTZKRXXCFPFRG-VNQPRFMTSA-N 1 0 324.421 2.794 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296477522 427192561 /nfs/dbraw/zinc/19/25/61/427192561.db2.gz YDNZDMWAWPVDAW-OAGGEKHMSA-N 1 0 318.373 2.521 20 5 DFBDRO CO[C@H]1C[C@@H](CN(C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)[N@H+](C)C1 ZINC000284976844 427203839 /nfs/dbraw/zinc/20/38/39/427203839.db2.gz XOBZXTHJVBXDHN-KBMXLJTQSA-N 1 0 321.421 2.615 20 5 DFBDRO Cc1nc(NCCC[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000296524168 427211966 /nfs/dbraw/zinc/21/19/66/427211966.db2.gz MYJVZMFYDKOTLT-UHFFFAOYSA-N 1 0 315.377 2.627 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1 ZINC000277508029 427225353 /nfs/dbraw/zinc/22/53/53/427225353.db2.gz QPHNPLFBLKEXTI-UHFFFAOYSA-N 1 0 310.247 2.601 20 5 DFBDRO Cc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285445875 427232499 /nfs/dbraw/zinc/23/24/99/427232499.db2.gz ZGMGKQLICUJKIA-YVEFUNNKSA-N 1 0 315.373 2.870 20 5 DFBDRO CC(C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000269631589 427235406 /nfs/dbraw/zinc/23/54/06/427235406.db2.gz FWNZHLWTIAIXTO-GFCCVEGCSA-N 1 0 307.375 2.610 20 5 DFBDRO C[C@H]1CC[C@](CO)(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454129 427236324 /nfs/dbraw/zinc/23/63/24/427236324.db2.gz YIKLJZHNHKGVHV-BONVTDFDSA-N 1 0 314.332 2.856 20 5 DFBDRO C[C@H]1CC[C@@](CO)(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454133 427236758 /nfs/dbraw/zinc/23/67/58/427236758.db2.gz YIKLJZHNHKGVHV-ZUZCIYMTSA-N 1 0 314.332 2.856 20 5 DFBDRO Cc1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000183284793 427239198 /nfs/dbraw/zinc/23/91/98/427239198.db2.gz VLDARNMRCCCMLE-UHFFFAOYSA-N 1 0 316.361 2.974 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CC2CCCC2)CC1 ZINC000293188965 427239762 /nfs/dbraw/zinc/23/97/62/427239762.db2.gz QBMLXSBIAUGOMM-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338301138 427246450 /nfs/dbraw/zinc/24/64/50/427246450.db2.gz GHNGLOBFRUOTHQ-UWVGGRQHSA-N 1 0 314.769 2.926 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCN(c2ccccn2)C1 ZINC000269835881 427286808 /nfs/dbraw/zinc/28/68/08/427286808.db2.gz AOTSJIPFCVKDOZ-LLVKDONJSA-N 1 0 302.309 2.820 20 5 DFBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285602082 427286892 /nfs/dbraw/zinc/28/68/92/427286892.db2.gz JUWQFDDDOIQQFZ-CQSZACIVSA-N 1 0 319.361 2.758 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261613 /nfs/dbraw/zinc/26/16/13/427261613.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 1 0 303.406 2.962 20 5 DFBDRO CO[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191138200 427264360 /nfs/dbraw/zinc/26/43/60/427264360.db2.gz CRBJVJUNHZLLMT-SNVBAGLBSA-N 1 0 307.375 2.843 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613824 427276476 /nfs/dbraw/zinc/27/64/76/427276476.db2.gz RPHWUPZIJDADGO-HIFRSBDPSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000183481739 427277393 /nfs/dbraw/zinc/27/73/93/427277393.db2.gz KTCJMAVIMKXGCW-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183649374 427310874 /nfs/dbraw/zinc/31/08/74/427310874.db2.gz ARZNCHVQKCJUAS-OAHLLOKOSA-N 1 0 320.368 2.787 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(C)CC1 ZINC000270345424 427326187 /nfs/dbraw/zinc/32/61/87/427326187.db2.gz OTWDRFXUQXAHMS-UHFFFAOYSA-N 1 0 303.362 2.884 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000285750866 427326339 /nfs/dbraw/zinc/32/63/39/427326339.db2.gz YSLVFOLRPRKIJA-CYBMUJFWSA-N 1 0 318.295 2.874 20 5 DFBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191351113 427327726 /nfs/dbraw/zinc/32/77/26/427327726.db2.gz LPYHDXHFNNFTFD-GDBMZVCRSA-N 1 0 321.421 2.951 20 5 DFBDRO C[C@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000285756604 427329945 /nfs/dbraw/zinc/32/99/45/427329945.db2.gz VUZYBRQGPAWKPV-GJZGRUSLSA-N 1 0 312.316 2.920 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1Cl ZINC000183775127 427336660 /nfs/dbraw/zinc/33/66/60/427336660.db2.gz IWDJQIOMLQHLSL-VIFPVBQESA-N 1 0 312.732 2.935 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261905818 427344003 /nfs/dbraw/zinc/34/40/03/427344003.db2.gz XHIASMGDBURPAC-NEPJUHHUSA-N 1 0 319.405 2.702 20 5 DFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113054 427348471 /nfs/dbraw/zinc/34/84/71/427348471.db2.gz JJNIMTJGYPRLLP-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1c(C[N@H+](CCO)[C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000331275667 427390573 /nfs/dbraw/zinc/39/05/73/427390573.db2.gz XOVLGKGLDLQZLQ-CQSZACIVSA-N 1 0 310.419 2.593 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286013233 427402593 /nfs/dbraw/zinc/40/25/93/427402593.db2.gz FGQWFKRMWFMFEX-JTQLQIEISA-N 1 0 321.406 2.886 20 5 DFBDRO [NH3+]CC1(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCCC1 ZINC000184146305 427402831 /nfs/dbraw/zinc/40/28/31/427402831.db2.gz MZAXKLBRSNYBFO-UHFFFAOYSA-N 1 0 317.389 2.783 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000278090496 427403343 /nfs/dbraw/zinc/40/33/43/427403343.db2.gz YEYFVXFTOMMRJZ-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338598109 427403900 /nfs/dbraw/zinc/40/39/00/427403900.db2.gz OLWKMZAURGBXOW-RISCZKNCSA-N 1 0 305.378 2.611 20 5 DFBDRO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097698 427404536 /nfs/dbraw/zinc/40/45/36/427404536.db2.gz NNDMKVFHHSKZDC-DGCLKSJQSA-N 1 0 323.368 2.663 20 5 DFBDRO CC(C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293570298 427366013 /nfs/dbraw/zinc/36/60/13/427366013.db2.gz SPOVPRUEDJRAEF-UHFFFAOYSA-N 1 0 306.284 2.816 20 5 DFBDRO CCOc1cc(CN2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000331195912 427368409 /nfs/dbraw/zinc/36/84/09/427368409.db2.gz YHAIULXXPUHJNM-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CC1(c2ccccc2)CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000297814554 427461692 /nfs/dbraw/zinc/46/16/92/427461692.db2.gz YKYKVCWUBQBFJI-UHFFFAOYSA-N 1 0 300.362 2.501 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1CCCC1 ZINC000297824284 427464883 /nfs/dbraw/zinc/46/48/83/427464883.db2.gz JKPUTJBFUPXDDS-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4F)[C@H]1[C@H]3C2 ZINC000286251506 427469051 /nfs/dbraw/zinc/46/90/51/427469051.db2.gz APCXODPYDOOZOW-GSJWJAIFSA-N 1 0 306.337 2.589 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000293919150 427488585 /nfs/dbraw/zinc/48/85/85/427488585.db2.gz XSTUGAFGMLGRRG-PXAZEXFGSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000293887600 427477018 /nfs/dbraw/zinc/47/70/18/427477018.db2.gz DFEQSHFBVIPGHH-BETUJISGSA-N 1 0 319.405 2.685 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278880315 427486424 /nfs/dbraw/zinc/48/64/24/427486424.db2.gz TUFJUSCOHWGNMT-MFKMUULPSA-N 1 0 318.295 2.903 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@@H](C)[C@H]1C ZINC000331974886 427486774 /nfs/dbraw/zinc/48/67/74/427486774.db2.gz AGYXKIYKJQMHEO-WOPDTQHZSA-N 1 0 306.362 2.938 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000338641351 427421028 /nfs/dbraw/zinc/42/10/28/427421028.db2.gz HTBGTFFVYQRPKJ-BETUJISGSA-N 1 0 323.393 2.515 20 5 DFBDRO CCC[C@@H]([NH2+]CCCc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000293797077 427439854 /nfs/dbraw/zinc/43/98/54/427439854.db2.gz UUJACUBLCSXGDZ-MRXNPFEDSA-N 1 0 317.393 2.787 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338791834 427492001 /nfs/dbraw/zinc/49/20/01/427492001.db2.gz LKENXNPLNCIGHK-BXUZGUMPSA-N 1 0 305.378 2.611 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338791840 427493175 /nfs/dbraw/zinc/49/31/75/427493175.db2.gz LKENXNPLNCIGHK-RISCZKNCSA-N 1 0 305.378 2.611 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000271337819 427501660 /nfs/dbraw/zinc/50/16/60/427501660.db2.gz NXODRXSBLXDMAX-AWEZNQCLSA-N 1 0 315.377 2.709 20 5 DFBDRO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081602 427503688 /nfs/dbraw/zinc/50/36/88/427503688.db2.gz MKESZDYYCXRBMN-JQWIXIFHSA-N 1 0 302.334 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC(c3ccncn3)CC2)cc1F ZINC000298030674 427506702 /nfs/dbraw/zinc/50/67/02/427506702.db2.gz CEANSFJQOADZFN-UHFFFAOYSA-N 1 0 316.336 2.904 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000298074680 427517302 /nfs/dbraw/zinc/51/73/02/427517302.db2.gz DAIJSIWAYDBZJO-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1ccc(C(=O)NCCCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000294005882 427519411 /nfs/dbraw/zinc/51/94/11/427519411.db2.gz UIXRTFXHWCQPMN-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332141170 427522846 /nfs/dbraw/zinc/52/28/46/427522846.db2.gz MKTFCLHOAXZSKI-DAXOMENPSA-N 1 0 317.389 2.868 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014337 427531272 /nfs/dbraw/zinc/53/12/72/427531272.db2.gz UDINBQIRQDXRPV-OLZOCXBDSA-N 1 0 300.362 2.705 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000271442565 427539536 /nfs/dbraw/zinc/53/95/36/427539536.db2.gz DONKNIQZMHXVDF-QWHCGFSZSA-N 1 0 305.378 2.563 20 5 DFBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286665584 427540325 /nfs/dbraw/zinc/54/03/25/427540325.db2.gz BCMUAXYAWAOTMO-AWEZNQCLSA-N 1 0 321.377 2.614 20 5 DFBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000192453073 427542591 /nfs/dbraw/zinc/54/25/91/427542591.db2.gz GMUDSXGQHBDNIQ-LLVKDONJSA-N 1 0 306.391 2.984 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287002487 427551781 /nfs/dbraw/zinc/55/17/81/427551781.db2.gz PUMBKGBUPPHDDW-DOMZBBRYSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)c1ccccc1 ZINC000341632173 271864913 /nfs/dbraw/zinc/86/49/13/271864913.db2.gz CYYREJMEGLQKEP-GFCCVEGCSA-N 1 0 302.378 2.784 20 5 DFBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271471331 427553378 /nfs/dbraw/zinc/55/33/78/427553378.db2.gz IXPVYTXTVLZJRQ-XTCJLCLGSA-N 1 0 324.446 2.663 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCn2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000279081446 427553939 /nfs/dbraw/zinc/55/39/39/427553939.db2.gz MOZRXGLJAQAAMJ-HNNXBMFYSA-N 1 0 300.362 2.804 20 5 DFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279258962 427619432 /nfs/dbraw/zinc/61/94/32/427619432.db2.gz LZRJRSUJWXYICD-WFASDCNBSA-N 1 0 317.389 2.652 20 5 DFBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192839965 427621432 /nfs/dbraw/zinc/62/14/32/427621432.db2.gz OWQNDFMNIDTAQS-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279270628 427622283 /nfs/dbraw/zinc/62/22/83/427622283.db2.gz NJUWTYRSZPBQRN-GWCFXTLKSA-N 1 0 302.334 2.923 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000192522084 427557944 /nfs/dbraw/zinc/55/79/44/427557944.db2.gz RNCSUABBFVTZAA-LLVKDONJSA-N 1 0 306.391 2.984 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000332244511 427558369 /nfs/dbraw/zinc/55/83/69/427558369.db2.gz SIOLUZWBBFZYMX-SUHUHFCYSA-N 1 0 310.781 2.841 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000184972526 427572176 /nfs/dbraw/zinc/57/21/76/427572176.db2.gz HGIZRROPXFVOGJ-WYMLVPIESA-N 1 0 317.389 2.551 20 5 DFBDRO CCn1cc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000271528743 427572322 /nfs/dbraw/zinc/57/23/22/427572322.db2.gz WKGFUPYURCITCJ-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC1CC[NH+](CC)CC1 ZINC000192626193 427575689 /nfs/dbraw/zinc/57/56/89/427575689.db2.gz DDZXGCFQHMPCMS-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2c1OCO2 ZINC000338956483 427588342 /nfs/dbraw/zinc/58/83/42/427588342.db2.gz UMTDHQBZXOQBPW-UHFFFAOYSA-N 1 0 314.341 2.998 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192742386 427599781 /nfs/dbraw/zinc/59/97/81/427599781.db2.gz TVSZWDDQJGQYFT-BLLLJJGKSA-N 1 0 319.405 2.867 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000192747089 427600815 /nfs/dbraw/zinc/60/08/15/427600815.db2.gz FQBROHPPUUAIBC-GJZGRUSLSA-N 1 0 305.378 2.694 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287535739 427632506 /nfs/dbraw/zinc/63/25/06/427632506.db2.gz DUNODYPEXJJOIJ-AAEUAGOBSA-N 1 0 318.295 2.837 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279348875 427648278 /nfs/dbraw/zinc/64/82/78/427648278.db2.gz VIYBBEUJLPOWLP-MFKMUULPSA-N 1 0 302.334 2.923 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000342301575 271985849 /nfs/dbraw/zinc/98/58/49/271985849.db2.gz DVDWBKUGVCUVIK-HNNXBMFYSA-N 1 0 318.348 2.736 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000272179927 427662966 /nfs/dbraw/zinc/66/29/66/427662966.db2.gz SFSFYKBZNWCGMH-LBPRGKRZSA-N 1 0 320.393 2.789 20 5 DFBDRO Cn1cc([C@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000264123782 427663761 /nfs/dbraw/zinc/66/37/61/427663761.db2.gz VSLUFSNFJUVDOQ-MRXNPFEDSA-N 1 0 300.362 2.708 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342650503 272036658 /nfs/dbraw/zinc/03/66/58/272036658.db2.gz KZLFISINJUPDLP-GLQYFDAESA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000295006539 427669172 /nfs/dbraw/zinc/66/91/72/427669172.db2.gz SKBAVIJOVXSSHE-JTQLQIEISA-N 1 0 311.332 2.794 20 5 DFBDRO C[N@H+]1CC=C(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000342990561 272073919 /nfs/dbraw/zinc/07/39/19/272073919.db2.gz DQEFALAHVWVADC-UHFFFAOYSA-N 1 0 324.768 2.632 20 5 DFBDRO CC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000343295500 272114171 /nfs/dbraw/zinc/11/41/71/272114171.db2.gz XYGXYOZEHGLJEK-ZDUSSCGKSA-N 1 0 314.389 2.982 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000343600660 272181321 /nfs/dbraw/zinc/18/13/21/272181321.db2.gz DZLPEZUSQBXBNX-KGLIPLIRSA-N 1 0 304.394 2.670 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344026280 272250215 /nfs/dbraw/zinc/25/02/15/272250215.db2.gz BTPKMVAKGUWICV-NSHDSACASA-N 1 0 305.378 2.562 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000344184463 272282439 /nfs/dbraw/zinc/28/24/39/272282439.db2.gz AUEXLTGFUFXPKN-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209921 272287770 /nfs/dbraw/zinc/28/77/70/272287770.db2.gz JZXYQFHMCWWZQQ-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209925 272288418 /nfs/dbraw/zinc/28/84/18/272288418.db2.gz JZXYQFHMCWWZQQ-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000279479705 427683453 /nfs/dbraw/zinc/68/34/53/427683453.db2.gz KTJURESVBWPOST-ZDUSSCGKSA-N 1 0 315.373 2.761 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344554199 272337446 /nfs/dbraw/zinc/33/74/46/272337446.db2.gz HFMOOKQESNBUCM-UHFFFAOYSA-N 1 0 311.357 2.586 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000344781213 272367987 /nfs/dbraw/zinc/36/79/87/272367987.db2.gz DVDMKWGJKDANMD-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CN1CCCC1=O ZINC000344796192 272371140 /nfs/dbraw/zinc/37/11/40/272371140.db2.gz SRTYQHJZXSFLOG-RNQWEJQRSA-N 1 0 317.389 2.599 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc2ccccn21 ZINC000344858386 272377597 /nfs/dbraw/zinc/37/75/97/272377597.db2.gz GVMWOAUPOGVMTQ-LCYFTJDESA-N 1 0 323.356 2.831 20 5 DFBDRO CS[C@H](CO)[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344858270 272377950 /nfs/dbraw/zinc/37/79/50/272377950.db2.gz MHUPRAIYSWUFGB-YVNUBKRQSA-N 1 0 310.419 2.700 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccn(C)n1 ZINC000344862908 272378249 /nfs/dbraw/zinc/37/82/49/272378249.db2.gz KXZBFRBZVOPOAY-JLHYYAGUSA-N 1 0 300.362 2.564 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC[S@@](C)=O ZINC000345044905 272397586 /nfs/dbraw/zinc/39/75/86/272397586.db2.gz SBDDDKTULATFAE-IDYAFUGXSA-N 1 0 310.419 2.745 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287778621 427688633 /nfs/dbraw/zinc/68/86/33/427688633.db2.gz RZYIWILPGAPYMW-YPMHNXCESA-N 1 0 318.295 2.837 20 5 DFBDRO CC(C)[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287777585 427690065 /nfs/dbraw/zinc/69/00/65/427690065.db2.gz IFFZKWZREFVNSH-UHFFFAOYSA-N 1 0 321.406 2.520 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000295098534 427691690 /nfs/dbraw/zinc/69/16/90/427691690.db2.gz UPGHBNYZYHDKGW-UHFFFAOYSA-N 1 0 319.405 2.784 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000193483951 427695254 /nfs/dbraw/zinc/69/52/54/427695254.db2.gz HGGAQXGWAYVOHT-DOMZBBRYSA-N 1 0 316.405 2.630 20 5 DFBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185791891 427707088 /nfs/dbraw/zinc/70/70/88/427707088.db2.gz OBXDVWGIBFEQQE-OAHLLOKOSA-N 1 0 300.362 2.628 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000185795614 427709070 /nfs/dbraw/zinc/70/90/70/427709070.db2.gz LIAKZNZTJJQQFP-RSKUSDAESA-N 1 0 317.389 2.597 20 5 DFBDRO CCCNC(=O)CCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000298836320 427713829 /nfs/dbraw/zinc/71/38/29/427713829.db2.gz HQIKRJNYFJZTSG-OAHLLOKOSA-N 1 0 307.394 2.942 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCC1 ZINC000339328515 427755573 /nfs/dbraw/zinc/75/55/73/427755573.db2.gz MFNWQVJEVYIKDH-UHFFFAOYSA-N 1 0 306.366 2.511 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000301155071 427779272 /nfs/dbraw/zinc/77/92/72/427779272.db2.gz FQTCNDMFDYHDKW-ZIAGYGMSSA-N 1 0 307.394 2.814 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334010528 427726201 /nfs/dbraw/zinc/72/62/01/427726201.db2.gz CZDSNEGVPKHFMA-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339209348 427731192 /nfs/dbraw/zinc/73/11/92/427731192.db2.gz NIOQRXWICDQAFN-PELKAZGASA-N 1 0 304.268 2.881 20 5 DFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000299023316 427740482 /nfs/dbraw/zinc/74/04/82/427740482.db2.gz NORTUDTZYICMIB-WDEREUQCSA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000336720479 427751118 /nfs/dbraw/zinc/75/11/18/427751118.db2.gz RZDZFRRTKFTDCN-QMMMGPOBSA-N 1 0 302.172 2.897 20 5 DFBDRO Cc1c(Br)c(N[C@H](C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000336786085 427751977 /nfs/dbraw/zinc/75/19/77/427751977.db2.gz BEKYRPIBOAVOIP-SSDOTTSWSA-N 1 0 317.187 2.600 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301462299 427797933 /nfs/dbraw/zinc/79/79/33/427797933.db2.gz FFZXVXAYTQYRLP-LXZKKBNFSA-N 1 0 301.390 2.824 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000337172180 427809162 /nfs/dbraw/zinc/80/91/62/427809162.db2.gz MAIDRDFWHSHHNM-UHFFFAOYSA-N 1 0 319.283 2.808 20 5 DFBDRO Cc1nc(N2CC[NH+](Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000301635456 427810870 /nfs/dbraw/zinc/81/08/70/427810870.db2.gz KRWUYGJBNKWMDH-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO Cc1nc(NC[C@H](Cc2ccccc2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301660855 427813480 /nfs/dbraw/zinc/81/34/80/427813480.db2.gz UMBQIEILHLSLPU-HNNXBMFYSA-N 1 0 314.389 2.883 20 5 DFBDRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000337241306 427821862 /nfs/dbraw/zinc/82/18/62/427821862.db2.gz FZBYIXZJNPJYEK-ZDUSSCGKSA-N 1 0 323.393 2.669 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@@H]1CC1CCC1 ZINC000339774869 427827328 /nfs/dbraw/zinc/82/73/28/427827328.db2.gz YCEHDENXRXZAEQ-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359413908 427840985 /nfs/dbraw/zinc/84/09/85/427840985.db2.gz HUDXLAJGJVLSHW-CJNGLKHVSA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000359413155 427841956 /nfs/dbraw/zinc/84/19/56/427841956.db2.gz OZFOGNDMZRTOFG-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cc(N2CCC([NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302033157 427848615 /nfs/dbraw/zinc/84/86/15/427848615.db2.gz SVLBUBWMZUCJEF-UHFFFAOYSA-N 1 0 314.389 2.982 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1cccc([N+](=O)[O-])c1 ZINC000337377081 427872184 /nfs/dbraw/zinc/87/21/84/427872184.db2.gz BOTKOZQYROGQHB-INIZCTEOSA-N 1 0 318.377 2.679 20 5 DFBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000337375895 427872206 /nfs/dbraw/zinc/87/22/06/427872206.db2.gz BCLGJBPSEHEJAV-HNNXBMFYSA-N 1 0 306.341 2.917 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355782670 427890142 /nfs/dbraw/zinc/89/01/42/427890142.db2.gz MMIBFTWDTGJLBG-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355784132 427891466 /nfs/dbraw/zinc/89/14/66/427891466.db2.gz OBLJVUBHKMKHCL-MGPQQGTHSA-N 1 0 319.405 2.924 20 5 DFBDRO CN(C(=O)C[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000302911114 427891620 /nfs/dbraw/zinc/89/16/20/427891620.db2.gz BLWXAWNVEQORLI-UHFFFAOYSA-N 1 0 305.378 2.822 20 5 DFBDRO C[C@@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000340599669 427898569 /nfs/dbraw/zinc/89/85/69/427898569.db2.gz HDJDTAJFMCJPGL-TXNVCOODSA-N 1 0 304.268 2.511 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)c1 ZINC000340647965 427916293 /nfs/dbraw/zinc/91/62/93/427916293.db2.gz VMXQDZQIFLTOGE-UHFFFAOYSA-N 1 0 307.269 2.960 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3Cc4ccccc43)C2)nc1 ZINC000346993355 272708219 /nfs/dbraw/zinc/70/82/19/272708219.db2.gz JFMJJEMSOXRDNI-HUUCEWRRSA-N 1 0 324.384 2.816 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413180749 427983525 /nfs/dbraw/zinc/98/35/25/427983525.db2.gz ZGQZTTWNQOUDGX-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000413180584 427984087 /nfs/dbraw/zinc/98/40/87/427984087.db2.gz ZZMHEGVCROXKED-GFCCVEGCSA-N 1 0 308.357 2.805 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000341058216 427985004 /nfs/dbraw/zinc/98/50/04/427985004.db2.gz LAJNFCAULBVMPU-GHMZBOCLSA-N 1 0 311.407 2.649 20 5 DFBDRO COc1ccc(C[N@H+]([C@@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000347197285 272745523 /nfs/dbraw/zinc/74/55/23/272745523.db2.gz LDZWBVRFSNJMGW-LBPRGKRZSA-N 1 0 308.378 2.729 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000304452337 427937851 /nfs/dbraw/zinc/93/78/51/427937851.db2.gz OWFBBMLUZQLGSV-ZFWWWQNUSA-N 1 0 300.358 2.849 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CCCO ZINC000304514383 427938651 /nfs/dbraw/zinc/93/86/51/427938651.db2.gz UYIHUQKFMZBDCI-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000345880493 427939735 /nfs/dbraw/zinc/93/97/35/427939735.db2.gz PHPRNFDMWYLVQV-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000345905194 427945649 /nfs/dbraw/zinc/94/56/49/427945649.db2.gz LTMOSTWKRADPKA-CHWSQXEVSA-N 1 0 319.405 2.712 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC([NH+]2CCCCC2)C1 ZINC000340908013 427947852 /nfs/dbraw/zinc/94/78/52/427947852.db2.gz QXOPIFRZXKICFQ-UHFFFAOYSA-N 1 0 307.398 2.548 20 5 DFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC1 ZINC000341293044 428033195 /nfs/dbraw/zinc/03/31/95/428033195.db2.gz UHORRCXPOMXUIT-UHFFFAOYSA-N 1 0 312.373 3.163 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000347576314 272802297 /nfs/dbraw/zinc/80/22/97/272802297.db2.gz AWEVOHAREOKVRI-NWDGAFQWSA-N 1 0 321.377 2.917 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359744790 428000531 /nfs/dbraw/zinc/00/05/31/428000531.db2.gz QWHVWSOMITVLIK-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO CC(C)[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413260257 428005512 /nfs/dbraw/zinc/00/55/12/428005512.db2.gz JIANMUMBPORXCU-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000359759297 428006692 /nfs/dbraw/zinc/00/66/92/428006692.db2.gz FGQJKWJCQYKWJH-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356247073 428088072 /nfs/dbraw/zinc/08/80/72/428088072.db2.gz BYSIKCHZIWURRY-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000369936731 428093738 /nfs/dbraw/zinc/09/37/38/428093738.db2.gz MVWVCDGCTIZLIJ-LSDHHAIUSA-N 1 0 317.389 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c(Cl)c1 ZINC000359959614 428094759 /nfs/dbraw/zinc/09/47/59/428094759.db2.gz MVZWZBRUNHVEDZ-NSHDSACASA-N 1 0 306.753 2.618 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000360013379 428118398 /nfs/dbraw/zinc/11/83/98/428118398.db2.gz GDCZWDILOGAYON-QWHCGFSZSA-N 1 0 300.362 2.765 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020996 428119292 /nfs/dbraw/zinc/11/92/92/428119292.db2.gz VNKWINNHERSJCE-HIFRSBDPSA-N 1 0 300.362 2.847 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000370082692 428131441 /nfs/dbraw/zinc/13/14/41/428131441.db2.gz OTTNIDQERPUANL-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO CC[N@H+](CCNc1nc2ccccc2cc1[N+](=O)[O-])C(C)C ZINC000352360936 428133716 /nfs/dbraw/zinc/13/37/16/428133716.db2.gz OVZOESCPAXHOOX-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DFBDRO C[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000352367113 428134140 /nfs/dbraw/zinc/13/41/40/428134140.db2.gz LMZMQNLXLTVNOZ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535956 428139019 /nfs/dbraw/zinc/13/90/19/428139019.db2.gz XRDLEFDXMFRNKM-ZNNBYXKUSA-N 1 0 301.390 2.684 20 5 DFBDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535424 428139817 /nfs/dbraw/zinc/13/98/17/428139817.db2.gz QJHQSBMDEYPSRG-LSDHHAIUSA-N 1 0 319.405 2.520 20 5 DFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)c1ccc2c[nH+]cn2c1 ZINC000341657575 428143169 /nfs/dbraw/zinc/14/31/69/428143169.db2.gz GZIBAAUAOGLXHT-UHFFFAOYSA-N 1 0 300.249 2.634 20 5 DFBDRO COc1cc(CN2CCO[C@@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000352545968 428144446 /nfs/dbraw/zinc/14/44/46/428144446.db2.gz NVUFEJLILKIJMP-MRXNPFEDSA-N 1 0 318.329 2.770 20 5 DFBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)[NH+](C)C ZINC000413832399 428147100 /nfs/dbraw/zinc/14/71/00/428147100.db2.gz JHYVZQIGTYPTFU-CQSZACIVSA-N 1 0 308.382 2.694 20 5 DFBDRO CC1CC[NH+](CCN(C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000352570133 428155111 /nfs/dbraw/zinc/15/51/11/428155111.db2.gz CQRQCPVCTXJQDF-UHFFFAOYSA-N 1 0 305.422 2.801 20 5 DFBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000360087523 428156994 /nfs/dbraw/zinc/15/69/94/428156994.db2.gz DUXOEZZMWZTOQY-AWEZNQCLSA-N 1 0 313.398 2.892 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341700455 428160845 /nfs/dbraw/zinc/16/08/45/428160845.db2.gz OJJSWPQXYGMBEX-LLVKDONJSA-N 1 0 319.361 2.801 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3cccc(F)c3)CC2)n1 ZINC000370235068 428165668 /nfs/dbraw/zinc/16/56/68/428165668.db2.gz GZTVOFJPPUCFRY-UHFFFAOYSA-N 1 0 316.336 2.720 20 5 DFBDRO CCC[N@H+](CC(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000346606747 428238259 /nfs/dbraw/zinc/23/82/59/428238259.db2.gz SVIIRDAIVDVNJT-OAHLLOKOSA-N 1 0 310.394 2.703 20 5 DFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000341774951 428192577 /nfs/dbraw/zinc/19/25/77/428192577.db2.gz OJXIDASGVXAPTJ-UHFFFAOYSA-N 1 0 324.340 2.557 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CC(c3ccccc3Cl)C2)c1 ZINC000352672894 428195284 /nfs/dbraw/zinc/19/52/84/428195284.db2.gz WKIOJKBWTUMZPZ-UHFFFAOYSA-N 1 0 320.780 2.981 20 5 DFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414074879 428198592 /nfs/dbraw/zinc/19/85/92/428198592.db2.gz GWQIOMPZUBNFKC-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000414094569 428204863 /nfs/dbraw/zinc/20/48/63/428204863.db2.gz GJLSXKPIKXWBOZ-LBPRGKRZSA-N 1 0 300.362 2.631 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346666722 428263425 /nfs/dbraw/zinc/26/34/25/428263425.db2.gz YWJHAUYHNVLOLT-CAVOSLQRSA-N 1 0 317.389 2.550 20 5 DFBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000360355547 428265280 /nfs/dbraw/zinc/26/52/80/428265280.db2.gz PUCDAJQKRBMOPO-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414352926 428268432 /nfs/dbraw/zinc/26/84/32/428268432.db2.gz XQLMNBODALDTNN-ABAIWWIYSA-N 1 0 319.405 2.820 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000346707698 428284255 /nfs/dbraw/zinc/28/42/55/428284255.db2.gz IBYHBLSRRJNPHE-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCn2ccnc2C1 ZINC000377860050 428247637 /nfs/dbraw/zinc/24/76/37/428247637.db2.gz KLDJKJHDBZZTIP-LLVKDONJSA-N 1 0 306.391 2.547 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000352789647 428249386 /nfs/dbraw/zinc/24/93/86/428249386.db2.gz CQRNEJIUPWBDSI-BXUZGUMPSA-N 1 0 323.418 2.573 20 5 DFBDRO CC(C)n1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000342125188 428310073 /nfs/dbraw/zinc/31/00/73/428310073.db2.gz DCAQAUVHZVPFBX-UHFFFAOYSA-N 1 0 317.393 2.880 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414497250 428320275 /nfs/dbraw/zinc/32/02/75/428320275.db2.gz FOEGJCNRNPRNHP-ONGXEEELSA-N 1 0 312.391 2.596 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000352966610 428330765 /nfs/dbraw/zinc/33/07/65/428330765.db2.gz JXJOAUURGXSVQN-JTQLQIEISA-N 1 0 308.769 2.875 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360531661 428336797 /nfs/dbraw/zinc/33/67/97/428336797.db2.gz YIIJOQUDTPIOIN-LBPRGKRZSA-N 1 0 307.394 2.686 20 5 DFBDRO CC[NH+](CC)CCNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-] ZINC000279124384 273636019 /nfs/dbraw/zinc/63/60/19/273636019.db2.gz WBOITXRFYFZLCR-UHFFFAOYSA-N 1 0 313.785 2.628 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@@H]2C(F)F)c1 ZINC000342209665 428351629 /nfs/dbraw/zinc/35/16/29/428351629.db2.gz LQWHFWCZTAKREI-DTWKUNHWSA-N 1 0 308.231 2.939 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3Cc4ccccc43)C2)nc1 ZINC000346993349 428398832 /nfs/dbraw/zinc/39/88/32/428398832.db2.gz JFMJJEMSOXRDNI-GJZGRUSLSA-N 1 0 324.384 2.816 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769594 428399255 /nfs/dbraw/zinc/39/92/55/428399255.db2.gz MJYRWZJFVNLAID-ABAIWWIYSA-N 1 0 301.346 2.776 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CC3)C2)c2c(c1)COCO2 ZINC000378315475 428362245 /nfs/dbraw/zinc/36/22/45/428362245.db2.gz IZVSPTUJYKSCPA-LBPRGKRZSA-N 1 0 304.346 2.693 20 5 DFBDRO Cc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000414651276 428365496 /nfs/dbraw/zinc/36/54/96/428365496.db2.gz BNLXWCNWJDSHQS-ONXXMXGDSA-N 1 0 318.377 2.650 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414663380 428367076 /nfs/dbraw/zinc/36/70/76/428367076.db2.gz RXNWJWYLKAVQGV-JOCQHMNTSA-N 1 0 320.393 2.790 20 5 DFBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2CCCOc1ccc([N+](=O)[O-])cc1 ZINC000371158823 428372616 /nfs/dbraw/zinc/37/26/16/428372616.db2.gz WZKBOBQZWLKUDC-FKEKPDDDSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1c(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414702054 428382173 /nfs/dbraw/zinc/38/21/73/428382173.db2.gz LLSYDNPQGVQTOM-RYUDHWBXSA-N 1 0 306.366 2.542 20 5 DFBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000372391042 428437532 /nfs/dbraw/zinc/43/75/32/428437532.db2.gz ADEOQLACKYHKJZ-UHFFFAOYSA-N 1 0 318.377 2.687 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000347117918 428453468 /nfs/dbraw/zinc/45/34/68/428453468.db2.gz XKTSVDWJENBOJZ-ZDUSSCGKSA-N 1 0 315.373 2.896 20 5 DFBDRO CC[C@H](Cn1cncn1)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353267513 428460701 /nfs/dbraw/zinc/46/07/01/428460701.db2.gz PUPPNTSQLMGUTI-UKRRQHHQSA-N 1 0 303.366 2.706 20 5 DFBDRO COc1cc(C[N@H+]([C@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347179673 428481816 /nfs/dbraw/zinc/48/18/16/428481816.db2.gz ZKUGKXJCUPWOOH-GFCCVEGCSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357356062 428498496 /nfs/dbraw/zinc/49/84/96/428498496.db2.gz FKAXSHBOPJNQFW-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360961110 428511266 /nfs/dbraw/zinc/51/12/66/428511266.db2.gz ORQJSUFEUKSLQO-XQQFMLRXSA-N 1 0 323.441 2.898 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372616186 428476460 /nfs/dbraw/zinc/47/64/60/428476460.db2.gz CQJYEFDFMFFQKL-WBMJQRKESA-N 1 0 319.361 2.539 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361595930 428582773 /nfs/dbraw/zinc/58/27/73/428582773.db2.gz PURDNZWADHXHRD-MNOVXSKESA-N 1 0 320.315 2.844 20 5 DFBDRO COc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000373282741 428537846 /nfs/dbraw/zinc/53/78/46/428537846.db2.gz DJTZVBVIUXEYAR-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO CC(C)[N@H+](CCN1CCCOCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000361289657 428553204 /nfs/dbraw/zinc/55/32/04/428553204.db2.gz QTWZXXHZLMFQPW-UHFFFAOYSA-N 1 0 321.421 2.528 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415296080 428563743 /nfs/dbraw/zinc/56/37/43/428563743.db2.gz MKHIPTFNUGFHLT-OLZOCXBDSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000343800408 428573464 /nfs/dbraw/zinc/57/34/64/428573464.db2.gz YFFGCALEHWONNQ-NSHDSACASA-N 1 0 318.352 3.158 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCCC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000373432223 428574932 /nfs/dbraw/zinc/57/49/32/428574932.db2.gz PMZICTMKBILJRQ-UHFFFAOYSA-N 1 0 317.389 2.824 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415586850 428599603 /nfs/dbraw/zinc/59/96/03/428599603.db2.gz WAQNRMICOXROMN-MFKMUULPSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000373553010 428603842 /nfs/dbraw/zinc/60/38/42/428603842.db2.gz YOQJUMNLSRQYFA-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000347573984 428606419 /nfs/dbraw/zinc/60/64/19/428606419.db2.gz OYUDVPHFPUKINQ-OAHLLOKOSA-N 1 0 319.386 2.559 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000373562845 428606446 /nfs/dbraw/zinc/60/64/46/428606446.db2.gz SEVSCHWWMOLMRW-GOEBONIOSA-N 1 0 317.389 2.507 20 5 DFBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344055593 428622570 /nfs/dbraw/zinc/62/25/70/428622570.db2.gz JQSXVIJWPYFNNO-ZDUSSCGKSA-N 1 0 303.362 2.821 20 5 DFBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000353626745 428627079 /nfs/dbraw/zinc/62/70/79/428627079.db2.gz YPSJEPCVBFSZCI-LBPRGKRZSA-N 1 0 316.361 2.764 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000362133684 428633036 /nfs/dbraw/zinc/63/30/36/428633036.db2.gz AWAKGSMMUZQKTE-INIZCTEOSA-N 1 0 320.389 2.521 20 5 DFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000194489278 274073358 /nfs/dbraw/zinc/07/33/58/274073358.db2.gz GWPZOHNFYGAESI-HIFRSBDPSA-N 1 0 323.349 2.796 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC12CCOCC2 ZINC000374297837 274118861 /nfs/dbraw/zinc/11/88/61/274118861.db2.gz RRSJKFWMSQFYRT-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000344449585 428646046 /nfs/dbraw/zinc/64/60/46/428646046.db2.gz PMGSCZMQMHWITG-CYBMUJFWSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000132477924 274240863 /nfs/dbraw/zinc/24/08/63/274240863.db2.gz ZYSSBZKSLLWGGE-BDAKNGLRSA-N 1 0 303.284 2.787 20 5 DFBDRO CCc1ccc(C(=O)N2[C@H](C)C[NH+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000344470113 428655958 /nfs/dbraw/zinc/65/59/58/428655958.db2.gz VJVGZOUOAKLFGJ-CHWSQXEVSA-N 1 0 319.405 2.712 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362226931 428666655 /nfs/dbraw/zinc/66/66/55/428666655.db2.gz OXPLCTGWUPENFX-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000301603662 274364646 /nfs/dbraw/zinc/36/46/46/274364646.db2.gz LFVRFHCRPJMFBN-RNCFNFMXSA-N 1 0 317.311 3.000 20 5 DFBDRO Cc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000353714115 428673140 /nfs/dbraw/zinc/67/31/40/428673140.db2.gz PUWABIHOBJQMJZ-GDBMZVCRSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869231 274395961 /nfs/dbraw/zinc/39/59/61/274395961.db2.gz FSWYSGVJTAQAGN-TZMCWYRMSA-N 1 0 318.352 2.808 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864772 274396294 /nfs/dbraw/zinc/39/62/94/274396294.db2.gz FPTCJTYNLNUWRZ-UKRRQHHQSA-N 1 0 300.362 2.669 20 5 DFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354869992 274399433 /nfs/dbraw/zinc/39/94/33/274399433.db2.gz QWYCCUQLOKFLNB-MNOVXSKESA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000374582871 428702829 /nfs/dbraw/zinc/70/28/29/428702829.db2.gz DWTKHWWICXZVFX-AWEZNQCLSA-N 1 0 314.389 2.935 20 5 DFBDRO C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339836 428714002 /nfs/dbraw/zinc/71/40/02/428714002.db2.gz RLSCJIZVQQPVQU-IIAWOOMASA-N 1 0 305.422 2.846 20 5 DFBDRO Cc1noc([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868115 428716039 /nfs/dbraw/zinc/71/60/39/428716039.db2.gz VEFCZSPRQAMYPB-KXQLTZBTSA-N 1 0 314.345 2.789 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000353883536 428760307 /nfs/dbraw/zinc/76/03/07/428760307.db2.gz QGDSKJYPVRKTKP-JKSUJKDBSA-N 1 0 304.390 2.524 20 5 DFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cn1 ZINC000374857491 428765573 /nfs/dbraw/zinc/76/55/73/428765573.db2.gz ASELMZIRQJDLMH-ZDUSSCGKSA-N 1 0 318.352 2.532 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCc2cnccn2)c2cc([N+](=O)[O-])ccc21 ZINC000358996999 428766245 /nfs/dbraw/zinc/76/62/45/428766245.db2.gz DMTCHTIYRBBXAB-MRXNPFEDSA-N 1 0 312.373 2.940 20 5 DFBDRO Cn1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353895584 428766532 /nfs/dbraw/zinc/76/65/32/428766532.db2.gz COLCBODUVWYQFE-CJNGLKHVSA-N 1 0 312.373 2.980 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1F ZINC000374863953 428768124 /nfs/dbraw/zinc/76/81/24/428768124.db2.gz PVLZKKQHKBWLAX-CQSZACIVSA-N 1 0 308.353 2.982 20 5 DFBDRO CC[N@H+](CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)C(C)C ZINC000353906252 428772007 /nfs/dbraw/zinc/77/20/07/428772007.db2.gz FCWMMPHMVCEWOP-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913737 428783331 /nfs/dbraw/zinc/78/33/31/428783331.db2.gz OEQOVFFGSPCLLQ-HOTGVXAUSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)C[NH+]2CCCC2)c1 ZINC000411086772 428736545 /nfs/dbraw/zinc/73/65/45/428736545.db2.gz PPLFXKZLJRLKFE-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000362447648 428749272 /nfs/dbraw/zinc/74/92/72/428749272.db2.gz CQLCCHOERAFLRZ-RHSMWYFYSA-N 1 0 320.389 2.865 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362453904 428750585 /nfs/dbraw/zinc/75/05/85/428750585.db2.gz XXJXCYRYSHTLRH-WFASDCNBSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000359095070 428814563 /nfs/dbraw/zinc/81/45/63/428814563.db2.gz JMFPSGZTURCFNP-HNNXBMFYSA-N 1 0 318.421 2.775 20 5 DFBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000276712052 274598717 /nfs/dbraw/zinc/59/87/17/274598717.db2.gz YOYSDBCNPCCWKN-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000354196664 428909568 /nfs/dbraw/zinc/90/95/68/428909568.db2.gz XDZWZXQPWPZKNI-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411951108 428893361 /nfs/dbraw/zinc/89/33/61/428893361.db2.gz PQRSVDMXDFNUCO-BDJLRTHQSA-N 1 0 308.378 2.897 20 5 DFBDRO CC[NH+]1CCC(N(C(=O)c2csc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000363285264 428897369 /nfs/dbraw/zinc/89/73/69/428897369.db2.gz HCSKXGUISHWUDN-UHFFFAOYSA-N 1 0 323.418 2.745 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412031951 428914482 /nfs/dbraw/zinc/91/44/82/428914482.db2.gz BLNYMARUNPLXEK-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115867 428923514 /nfs/dbraw/zinc/92/35/14/428923514.db2.gz FKVAZTGRXYGTNN-IUODEOHRSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000310828877 274711004 /nfs/dbraw/zinc/71/10/04/274711004.db2.gz YLXXDOKZIHZHEX-WPRPVWTQSA-N 1 0 314.183 2.592 20 5 DFBDRO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000363488838 428928837 /nfs/dbraw/zinc/92/88/37/428928837.db2.gz JELZYTDKADRYOE-HNNXBMFYSA-N 1 0 300.362 2.978 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)CC(C)(C)C ZINC000451774182 428971709 /nfs/dbraw/zinc/97/17/09/428971709.db2.gz AXMRRJPIWYBNDR-CQSZACIVSA-N 1 0 310.394 2.703 20 5 DFBDRO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420237275 428950353 /nfs/dbraw/zinc/95/03/53/428950353.db2.gz BZEYIIPNKOSLFJ-LLVKDONJSA-N 1 0 318.352 3.206 20 5 DFBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632522 428956997 /nfs/dbraw/zinc/95/69/97/428956997.db2.gz FAAKSMIJCBRODV-IRXDYDNUSA-N 1 0 317.389 2.570 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421713499 429018360 /nfs/dbraw/zinc/01/83/60/429018360.db2.gz STIPNKPGAQWNGV-CQSZACIVSA-N 1 0 319.405 2.686 20 5 DFBDRO Cc1sc(C(=O)Nc2cccc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000375938196 429020624 /nfs/dbraw/zinc/02/06/24/429020624.db2.gz OYLWRFZDEGGXTQ-UHFFFAOYSA-N 1 0 317.370 2.863 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000354355980 428977147 /nfs/dbraw/zinc/97/71/47/428977147.db2.gz ZCIYABFXOKODJR-GHMZBOCLSA-N 1 0 323.422 2.613 20 5 DFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](CO)CC(C)(C)C ZINC000451795492 428977510 /nfs/dbraw/zinc/97/75/10/428977510.db2.gz ZGVIYLHTYUTONU-GFCCVEGCSA-N 1 0 320.393 2.700 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809719 428983217 /nfs/dbraw/zinc/98/32/17/428983217.db2.gz FJWAIUUMROLQAT-IRXDYDNUSA-N 1 0 319.405 2.532 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@H](CO)CC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433089710 428993755 /nfs/dbraw/zinc/99/37/55/428993755.db2.gz PNYBOJZJLNHWAY-ZANVPECISA-N 1 0 314.332 2.923 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423709209 429001707 /nfs/dbraw/zinc/00/17/07/429001707.db2.gz WBPXBGVPIJFXMD-AWEZNQCLSA-N 1 0 319.405 2.980 20 5 DFBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCCSC1 ZINC000433203943 429008577 /nfs/dbraw/zinc/00/85/77/429008577.db2.gz DOUAJSMVZLPRHX-AWEZNQCLSA-N 1 0 310.419 2.939 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000423754647 429009145 /nfs/dbraw/zinc/00/91/45/429009145.db2.gz ZYHWYLVNFCIMBF-WDEREUQCSA-N 1 0 323.418 2.564 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000375987917 429035459 /nfs/dbraw/zinc/03/54/59/429035459.db2.gz WPTONUXWBUMANA-KGLIPLIRSA-N 1 0 300.362 2.754 20 5 DFBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1[NH3+] ZINC000423958596 429065669 /nfs/dbraw/zinc/06/56/69/429065669.db2.gz DSYJMNUTVFHKNG-SJCJKPOMSA-N 1 0 305.381 2.807 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376205489 429074503 /nfs/dbraw/zinc/07/45/03/429074503.db2.gz QTDXZYWUDFYZIR-BBRMVZONSA-N 1 0 319.405 2.804 20 5 DFBDRO [NH3+]C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000434658226 429102293 /nfs/dbraw/zinc/10/22/93/429102293.db2.gz BFSRHZNFNAUQQZ-UHFFFAOYSA-N 1 0 318.402 2.641 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000434959265 429116750 /nfs/dbraw/zinc/11/67/50/429116750.db2.gz KYEJXTKNTSRPAQ-ZYHUDNBSSA-N 1 0 312.801 2.952 20 5 DFBDRO O=[N+]([O-])c1ccc(NCc2cnc3n2CCCC3)c([N+](=O)[O-])c1 ZINC000376490561 429122580 /nfs/dbraw/zinc/12/25/80/429122580.db2.gz YXLSBWHIJLLJHY-UHFFFAOYSA-N 1 0 317.305 2.648 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000424321370 429126936 /nfs/dbraw/zinc/12/69/36/429126936.db2.gz SLZCAASEPWHFIG-XZJROXQQSA-N 1 0 316.361 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c2cccnc21 ZINC000413045105 429127782 /nfs/dbraw/zinc/12/77/82/429127782.db2.gz DZKQMWHJFYJBAJ-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO [NH3+]C1(c2noc(COc3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424348874 429129161 /nfs/dbraw/zinc/12/91/61/429129161.db2.gz UVXXKIMFNZLYKD-UHFFFAOYSA-N 1 0 318.333 2.675 20 5 DFBDRO Cc1c(Cc2nc(C3([NH3+])CCCCC3)no2)cccc1[N+](=O)[O-] ZINC000424340709 429130481 /nfs/dbraw/zinc/13/04/81/429130481.db2.gz GZQYVKPXPYCOOX-UHFFFAOYSA-N 1 0 316.361 2.995 20 5 DFBDRO C[NH+]1CCC(CCNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413096598 429137589 /nfs/dbraw/zinc/13/75/89/429137589.db2.gz ALFGMZHVSWUMOP-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095785 429170448 /nfs/dbraw/zinc/17/04/48/429170448.db2.gz OQHCSRFJBKOBPN-CVEARBPZSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114482377 275040318 /nfs/dbraw/zinc/04/03/18/275040318.db2.gz LHGFZSQBBVZDOK-AWEZNQCLSA-N 1 0 316.361 2.924 20 5 DFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(Cl)c1 ZINC000301367273 275041264 /nfs/dbraw/zinc/04/12/64/275041264.db2.gz RFXZAEUYBGDWRH-SUHUHFCYSA-N 1 0 322.796 2.564 20 5 DFBDRO COc1cccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488750095 429195743 /nfs/dbraw/zinc/19/57/43/429195743.db2.gz NFBIBFAVIVXROZ-UMVBOHGHSA-N 1 0 319.405 2.770 20 5 DFBDRO COc1cc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240627 429190665 /nfs/dbraw/zinc/19/06/65/429190665.db2.gz MTNHPQFZSPVWEV-MLGOLLRUSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000495259261 429192742 /nfs/dbraw/zinc/19/27/42/429192742.db2.gz KVJPULZZJRWEGL-MLGOLLRUSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C[NH+](C)C ZINC000488999930 429214023 /nfs/dbraw/zinc/21/40/23/429214023.db2.gz DUDCJRFUOMTPFZ-VIFPVBQESA-N 1 0 303.309 2.806 20 5 DFBDRO C[C@H]1[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000436362806 429198108 /nfs/dbraw/zinc/19/81/08/429198108.db2.gz QDTVVRQVHWJWIA-IUCAKERBSA-N 1 0 318.299 2.903 20 5 DFBDRO CN1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000436369590 429198601 /nfs/dbraw/zinc/19/86/01/429198601.db2.gz LBIFAVOODQHQSO-HNNXBMFYSA-N 1 0 311.385 2.993 20 5 DFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000364613709 429234823 /nfs/dbraw/zinc/23/48/23/429234823.db2.gz ZXYFTOOYNMATQA-ZDUSSCGKSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000489451299 429242628 /nfs/dbraw/zinc/24/26/28/429242628.db2.gz RCXGSTDHBNQRTR-CQSZACIVSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000489451298 429243052 /nfs/dbraw/zinc/24/30/52/429243052.db2.gz RCXGSTDHBNQRTR-AWEZNQCLSA-N 1 0 305.378 2.962 20 5 DFBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000443443116 429252152 /nfs/dbraw/zinc/25/21/52/429252152.db2.gz XRWMOAUDWBILSV-LBPRGKRZSA-N 1 0 312.439 3.364 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000456173726 429253217 /nfs/dbraw/zinc/25/32/17/429253217.db2.gz RJJPUHSVSDMCTP-UHFFFAOYSA-N 1 0 311.357 2.584 20 5 DFBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])c(N)c2F)C1 ZINC000443962331 429257541 /nfs/dbraw/zinc/25/75/41/429257541.db2.gz RFTJBHNWXRXRRH-UHFFFAOYSA-N 1 0 310.373 2.850 20 5 DFBDRO CC1(C)CCC[N@H+](CCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000443958576 429258577 /nfs/dbraw/zinc/25/85/77/429258577.db2.gz GPKLGTDAJJKFFI-UHFFFAOYSA-N 1 0 323.422 2.838 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495791135 429266403 /nfs/dbraw/zinc/26/64/03/429266403.db2.gz BSWWWTDHJODKJG-LBPRGKRZSA-N 1 0 321.377 2.818 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2c1cnn2C ZINC000449073379 429325270 /nfs/dbraw/zinc/32/52/70/429325270.db2.gz IQEAECMGXJOEJH-SWLSCSKDSA-N 1 0 314.389 2.927 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812630 429328721 /nfs/dbraw/zinc/32/87/21/429328721.db2.gz HPTGHTDXSLIWBZ-STQMWFEESA-N 1 0 308.378 2.960 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456684360 429336683 /nfs/dbraw/zinc/33/66/83/429336683.db2.gz OSBQTPAFZSPQMQ-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC1CCOCC1 ZINC000449155274 429346103 /nfs/dbraw/zinc/34/61/03/429346103.db2.gz ARLNXDXOZAPRSK-AWEZNQCLSA-N 1 0 322.405 2.701 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000425479374 429305922 /nfs/dbraw/zinc/30/59/22/429305922.db2.gz NVRGSTGMZPODIM-HNNXBMFYSA-N 1 0 313.348 2.645 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425496245 429309826 /nfs/dbraw/zinc/30/98/26/429309826.db2.gz AGRALQIGXMZFOT-SWLSCSKDSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000449342109 429392137 /nfs/dbraw/zinc/39/21/37/429392137.db2.gz ZBUXUZPNNRIHIT-NEPJUHHUSA-N 1 0 301.346 2.977 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(C)(F)F ZINC000449354509 429393872 /nfs/dbraw/zinc/39/38/72/429393872.db2.gz OIPPQFUHYJJJGC-SNVBAGLBSA-N 1 0 315.320 2.947 20 5 DFBDRO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426511052 429397275 /nfs/dbraw/zinc/39/72/75/429397275.db2.gz YEBWNHBDQUPXJC-OOXMNIKJSA-N 1 0 320.389 2.735 20 5 DFBDRO COc1nccc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)n1 ZINC000449372273 429399679 /nfs/dbraw/zinc/39/96/79/429399679.db2.gz FJYMICKJIDDRLQ-XYOKQWHBSA-N 1 0 314.345 2.587 20 5 DFBDRO COc1cccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449184465 429352621 /nfs/dbraw/zinc/35/26/21/429352621.db2.gz HUAHSUVYVJBOSL-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C\c3ccncc3)CC2)n1 ZINC000425969009 429355716 /nfs/dbraw/zinc/35/57/16/429355716.db2.gz VGFVIMBYKCOMLS-UPHRSURJSA-N 1 0 313.361 2.537 20 5 DFBDRO CC[C@H]1C[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000425983948 429356678 /nfs/dbraw/zinc/35/66/78/429356678.db2.gz XSLXPTKXDPUNCD-ZFWWWQNUSA-N 1 0 322.409 2.633 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CCC(OC3CCCC3)CC2)c1 ZINC000449197582 429356837 /nfs/dbraw/zinc/35/68/37/429356837.db2.gz WLTIAFJXBDOLIU-UHFFFAOYSA-N 1 0 322.409 2.651 20 5 DFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000365792900 429373234 /nfs/dbraw/zinc/37/32/34/429373234.db2.gz CSRXQRAOAIQEMQ-LBPRGKRZSA-N 1 0 323.349 2.752 20 5 DFBDRO Cc1cc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cs1 ZINC000449289190 429377399 /nfs/dbraw/zinc/37/73/99/429377399.db2.gz RCDOUAAUUUTKKY-UHFFFAOYSA-N 1 0 306.391 2.998 20 5 DFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000491607539 429378979 /nfs/dbraw/zinc/37/89/79/429378979.db2.gz PETGDZCUWFGPSB-GFCCVEGCSA-N 1 0 324.377 2.767 20 5 DFBDRO COc1ncccc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449336672 429389779 /nfs/dbraw/zinc/38/97/79/429389779.db2.gz OGIOXARODQHUQV-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@H](c2ccncc2)C1 ZINC000449535399 429446643 /nfs/dbraw/zinc/44/66/43/429446643.db2.gz HPYUNRJSPHSKQH-RDJZCZTQSA-N 1 0 313.357 3.000 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449565781 429449272 /nfs/dbraw/zinc/44/92/72/429449272.db2.gz KVNPMPJHCFJMQO-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)COC1 ZINC000449600195 429459838 /nfs/dbraw/zinc/45/98/38/429459838.db2.gz NNVWDURLCJEKJA-UHFFFAOYSA-N 1 0 316.304 2.712 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)c1 ZINC000449617947 429460597 /nfs/dbraw/zinc/46/05/97/429460597.db2.gz WYSOZPQETDIHDG-RHSMWYFYSA-N 1 0 313.357 3.000 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491826614 429415425 /nfs/dbraw/zinc/41/54/25/429415425.db2.gz AVFROOLQSIKKBQ-UPZNUWHASA-N 1 0 323.368 2.594 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449461035 429425351 /nfs/dbraw/zinc/42/53/51/429425351.db2.gz PBYUQGDAVLHYPL-FRFSOERESA-N 1 0 322.405 2.557 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706622 429430597 /nfs/dbraw/zinc/43/05/97/429430597.db2.gz PPTZNZNMBNIZGR-ZFWWWQNUSA-N 1 0 319.405 2.641 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000519615972 429471721 /nfs/dbraw/zinc/47/17/21/429471721.db2.gz RYCPXSIEOFWWPB-LBPRGKRZSA-N 1 0 323.393 2.912 20 5 DFBDRO CC(C)c1nnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000492296582 429504400 /nfs/dbraw/zinc/50/44/00/429504400.db2.gz RQIXMHBPZHFAAZ-UHFFFAOYSA-N 1 0 306.391 2.902 20 5 DFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753110 429506897 /nfs/dbraw/zinc/50/68/97/429506897.db2.gz XENFRXDGFBSMGL-UKRRQHHQSA-N 1 0 320.389 2.599 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000449784764 429509036 /nfs/dbraw/zinc/50/90/36/429509036.db2.gz CHUCCQMGMLKYDF-MRXNPFEDSA-N 1 0 321.421 2.908 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@H]1CCCO1)CCC2 ZINC000521536357 429555274 /nfs/dbraw/zinc/55/52/74/429555274.db2.gz ZBCQAWJEQNUOIB-NVXWUHKLSA-N 1 0 320.389 2.757 20 5 DFBDRO Cc1ccnc(N2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000522417886 429589445 /nfs/dbraw/zinc/58/94/45/429589445.db2.gz VCYFYQZYIOMHIJ-UHFFFAOYSA-N 1 0 306.410 2.855 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002864 429571580 /nfs/dbraw/zinc/57/15/80/429571580.db2.gz WAWYOOJGUYZUIQ-YRGRVCCFSA-N 1 0 309.435 2.818 20 5 DFBDRO CCOc1cc(CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492585530 429572701 /nfs/dbraw/zinc/57/27/01/429572701.db2.gz XMILZEGIIMVNJX-KBPBESRZSA-N 1 0 321.421 2.908 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC(C2CCCC2)CC1 ZINC000367128899 429583132 /nfs/dbraw/zinc/58/31/32/429583132.db2.gz JAXXPIBNKZWUCT-UHFFFAOYSA-N 1 0 319.405 2.659 20 5 DFBDRO C[C@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCC1 ZINC000450261528 429586659 /nfs/dbraw/zinc/58/66/59/429586659.db2.gz INRQPRVOWJZMBH-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000429774197 429632528 /nfs/dbraw/zinc/63/25/28/429632528.db2.gz MEGYOJYIZVPMEH-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)(C)SCC[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367252016 429605438 /nfs/dbraw/zinc/60/54/38/429605438.db2.gz KMICINPYFYAFDI-GFCCVEGCSA-N 1 0 312.439 2.960 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429551461 429614396 /nfs/dbraw/zinc/61/43/96/429614396.db2.gz YEKZXIRKZHEFHL-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430195054 429661834 /nfs/dbraw/zinc/66/18/34/429661834.db2.gz MQFJKHZKPSXJGN-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1nccs1 ZINC000430207163 429662382 /nfs/dbraw/zinc/66/23/82/429662382.db2.gz LRJINUWUEYLIKJ-UHFFFAOYSA-N 1 0 307.375 2.734 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000430204977 429663268 /nfs/dbraw/zinc/66/32/68/429663268.db2.gz SYEKEBBAHXPVKH-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccn1 ZINC000430208306 429663880 /nfs/dbraw/zinc/66/38/80/429663880.db2.gz UIZQTXSPBNVYAP-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353549326 276050787 /nfs/dbraw/zinc/05/07/87/276050787.db2.gz PQISDZQKKJBNKD-IUODEOHRSA-N 1 0 319.405 2.931 20 5 DFBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(C)C ZINC000120226606 276082086 /nfs/dbraw/zinc/08/20/86/276082086.db2.gz ULPGCHZHWLJZJZ-ZDUSSCGKSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2nccc(C)c2[N+](=O)[O-])CC1 ZINC000360271624 276095599 /nfs/dbraw/zinc/09/55/99/276095599.db2.gz KHEZDVCZKXUOID-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273371317 276112388 /nfs/dbraw/zinc/11/23/88/276112388.db2.gz GUOYCQHMFZTIQE-JTQLQIEISA-N 1 0 312.345 2.586 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2cccnc21 ZINC000364994198 276134908 /nfs/dbraw/zinc/13/49/08/276134908.db2.gz CCGYHYMGJZRALB-OAHLLOKOSA-N 1 0 315.377 2.586 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000354435468 276224095 /nfs/dbraw/zinc/22/40/95/276224095.db2.gz PGTLWKDGHKXPNX-KBPBESRZSA-N 1 0 319.405 2.848 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000290949200 276231186 /nfs/dbraw/zinc/23/11/86/276231186.db2.gz PCCNNSKUQWQKHY-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000450787380 429700368 /nfs/dbraw/zinc/70/03/68/429700368.db2.gz FWVONLWGCLILDH-TXEJJXNPSA-N 1 0 311.769 2.523 20 5 DFBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000473530266 429714958 /nfs/dbraw/zinc/71/49/58/429714958.db2.gz YWFVEYGQHPRDBI-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000527133677 429726439 /nfs/dbraw/zinc/72/64/39/429726439.db2.gz LFFYWXAWQHDLCU-UHFFFAOYSA-N 1 0 307.394 2.742 20 5 DFBDRO CC(C)[C@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127128 429744421 /nfs/dbraw/zinc/74/44/21/429744421.db2.gz IVHUUJZRVSEPFM-XJKSGUPXSA-N 1 0 322.405 2.701 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367946362 429749206 /nfs/dbraw/zinc/74/92/06/429749206.db2.gz XFGYQFKLWWYZJJ-CHWSQXEVSA-N 1 0 303.362 2.836 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367946363 429750389 /nfs/dbraw/zinc/75/03/89/429750389.db2.gz XFGYQFKLWWYZJJ-OLZOCXBDSA-N 1 0 303.362 2.836 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@H]2C1 ZINC000432181112 429807104 /nfs/dbraw/zinc/80/71/04/429807104.db2.gz YUFCUYKLWYBHRQ-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000432181107 429807508 /nfs/dbraw/zinc/80/75/08/429807508.db2.gz YUFCUYKLWYBHRQ-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(c4ccccn4)C3)nc2c1 ZINC000368051388 429774947 /nfs/dbraw/zinc/77/49/47/429774947.db2.gz MIRXGDAGJUKQAM-UHFFFAOYSA-N 1 0 323.356 2.902 20 5 DFBDRO O=C(CC[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000368098423 429786861 /nfs/dbraw/zinc/78/68/61/429786861.db2.gz JMASHPBKAWBRKO-TZMCWYRMSA-N 1 0 303.362 2.798 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432336151 429816099 /nfs/dbraw/zinc/81/60/99/429816099.db2.gz NPNHZIBSDVLAOW-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](C4CCC4)CC3)ccnc21 ZINC000432336523 429816290 /nfs/dbraw/zinc/81/62/90/429816290.db2.gz PZEITDNHVOQRGL-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451423529 429827634 /nfs/dbraw/zinc/82/76/34/429827634.db2.gz RYBHEWSXOSHOCS-LZWOXQAQSA-N 1 0 320.389 2.599 20 5 DFBDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000432499564 429827991 /nfs/dbraw/zinc/82/79/91/429827991.db2.gz DCPAQLJWJYQICT-LBPRGKRZSA-N 1 0 301.346 2.627 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000451469336 429830975 /nfs/dbraw/zinc/83/09/75/429830975.db2.gz MCDOTQTYEQQYCP-NWANDNLSSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451466969 429831583 /nfs/dbraw/zinc/83/15/83/429831583.db2.gz IUEPGFHJYHRRPX-GLQYFDAESA-N 1 0 306.362 2.507 20 5 DFBDRO CCO[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451524948 429842363 /nfs/dbraw/zinc/84/23/63/429842363.db2.gz FMDRXMARRVIBKY-XHDPSFHLSA-N 1 0 318.377 2.718 20 5 DFBDRO CCOCC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543154 429847848 /nfs/dbraw/zinc/84/78/48/429847848.db2.gz BAIYRUVQOKQDTI-RDJZCZTQSA-N 1 0 322.405 2.562 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000451552817 429851073 /nfs/dbraw/zinc/85/10/73/429851073.db2.gz YZSMNQPBSGBRNO-DOMZBBRYSA-N 1 0 308.378 2.850 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593408 429859730 /nfs/dbraw/zinc/85/97/30/429859730.db2.gz HVIYUKHNBXFECT-DOTOQJQBSA-N 1 0 324.421 2.982 20 5 DFBDRO Cc1c(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451599781 429860764 /nfs/dbraw/zinc/86/07/64/429860764.db2.gz GIYOHKAEZQOWPF-NVXWUHKLSA-N 1 0 304.390 2.790 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451720810 429877496 /nfs/dbraw/zinc/87/74/96/429877496.db2.gz YNNQCJWPDUMRAI-IOASZLSFSA-N 1 0 320.389 2.586 20 5 DFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000494625949 429883584 /nfs/dbraw/zinc/88/35/84/429883584.db2.gz MVVGUKYUDXSDNW-AWEZNQCLSA-N 1 0 322.386 2.667 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000368660963 429884118 /nfs/dbraw/zinc/88/41/18/429884118.db2.gz WXZYTAKCUDOUDH-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000368690959 429888210 /nfs/dbraw/zinc/88/82/10/429888210.db2.gz YAYUFATVOWWTIA-JKSUJKDBSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000368824955 429896775 /nfs/dbraw/zinc/89/67/75/429896775.db2.gz MWEWKXLNKVIJRG-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1c(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000368839656 429898149 /nfs/dbraw/zinc/89/81/49/429898149.db2.gz XOJHNVUHACMHBW-KCXAZCMYSA-N 1 0 317.389 2.522 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)c1ccsc1 ZINC000573137355 429928813 /nfs/dbraw/zinc/92/88/13/429928813.db2.gz LWDOLVHRDAMRHO-KBPBESRZSA-N 1 0 304.371 2.967 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000369308845 429923212 /nfs/dbraw/zinc/92/32/12/429923212.db2.gz CNBVSGFIKLRTOR-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H](CO)c1ccsc1 ZINC000573137356 429928127 /nfs/dbraw/zinc/92/81/27/429928127.db2.gz LWDOLVHRDAMRHO-KGLIPLIRSA-N 1 0 304.371 2.967 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000359479567 276722159 /nfs/dbraw/zinc/72/21/59/276722159.db2.gz GYHRIYHDWCTJOR-VXGBXAGGSA-N 1 0 309.414 2.794 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000369470089 429951019 /nfs/dbraw/zinc/95/10/19/429951019.db2.gz VCTJPAAKWHPCPR-GDBMZVCRSA-N 1 0 306.362 2.747 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369470090 429951396 /nfs/dbraw/zinc/95/13/96/429951396.db2.gz VCTJPAAKWHPCPR-GOEBONIOSA-N 1 0 306.362 2.747 20 5 DFBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1Cc1ccccc1 ZINC000557740860 429953173 /nfs/dbraw/zinc/95/31/73/429953173.db2.gz HGYJSGDAURRYPE-MRXNPFEDSA-N 1 0 311.385 2.958 20 5 DFBDRO CC(=O)c1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000561159839 430078494 /nfs/dbraw/zinc/07/84/94/430078494.db2.gz SQRWWNUYRSDVIA-ZDUSSCGKSA-N 1 0 305.378 2.940 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266498157 277024676 /nfs/dbraw/zinc/02/46/76/277024676.db2.gz UWOMREYPGVAVHS-XGNXJENSSA-N 1 0 305.378 2.693 20 5 DFBDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182697360 277036960 /nfs/dbraw/zinc/03/69/60/277036960.db2.gz WGWZITSGCNWSNJ-UKRRQHHQSA-N 1 0 319.405 2.812 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]2C1 ZINC000278293513 277199183 /nfs/dbraw/zinc/19/91/83/277199183.db2.gz CXTQTRDPDPRUMB-AOOOYVTPSA-N 1 0 315.295 2.611 20 5 DFBDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279154151 277262664 /nfs/dbraw/zinc/26/26/64/277262664.db2.gz ZDERIQOFCMNDTO-JSGCOSHPSA-N 1 0 314.769 2.532 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262327353 277275947 /nfs/dbraw/zinc/27/59/47/277275947.db2.gz RZCQLHZRHALJTJ-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542254405 430206780 /nfs/dbraw/zinc/20/67/80/430206780.db2.gz SXQOKWJOWYJDJJ-DOMZBBRYSA-N 1 0 310.394 2.749 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193870853 277398630 /nfs/dbraw/zinc/39/86/30/277398630.db2.gz WZAJTPBXRGIMGO-WOSRLPQWSA-N 1 0 318.373 2.904 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000566482694 430265307 /nfs/dbraw/zinc/26/53/07/430265307.db2.gz PRDIGIJNJSNTRB-QWHCGFSZSA-N 1 0 305.378 2.666 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CO)C1CCCCC1 ZINC000543837041 430266070 /nfs/dbraw/zinc/26/60/70/430266070.db2.gz WUXNYRIOHQFDLO-CQSZACIVSA-N 1 0 308.378 2.504 20 5 DFBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582542469 430309740 /nfs/dbraw/zinc/30/97/40/430309740.db2.gz XKCQFTJHPLNVGJ-IIAWOOMASA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccn(C)n1 ZINC000582951861 430350671 /nfs/dbraw/zinc/35/06/71/430350671.db2.gz QGHJQHVQBACVLT-LLVKDONJSA-N 1 0 313.361 2.703 20 5 DFBDRO CCN(Cc1nc(-c2ccc([N+](=O)[O-])cc2C)no1)C1CC1 ZINC000547108952 430377121 /nfs/dbraw/zinc/37/71/21/430377121.db2.gz NTQOGCZFXGLQRE-UHFFFAOYSA-N 1 0 302.334 2.938 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568881968 430401536 /nfs/dbraw/zinc/40/15/36/430401536.db2.gz ZVFNNWXTSJHRPH-CQSZACIVSA-N 1 0 313.357 2.988 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000569320210 430443222 /nfs/dbraw/zinc/44/32/22/430443222.db2.gz ZORXLRIYBZQCJK-ZDUSSCGKSA-N 1 0 320.393 2.715 20 5 DFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N)nc1 ZINC000592431279 430494837 /nfs/dbraw/zinc/49/48/37/430494837.db2.gz OSSZNYPKUBEUKY-UHFFFAOYSA-N 1 0 300.362 2.983 20 5 DFBDRO [NH3+]CC1(CCNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000593234708 430496805 /nfs/dbraw/zinc/49/68/05/430496805.db2.gz HRVZTDKRBMVQOC-UHFFFAOYSA-N 1 0 318.402 3.259 20 5 DFBDRO CC[N@@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000570031060 430506539 /nfs/dbraw/zinc/50/65/39/430506539.db2.gz AGIRUIWOQRJTGA-LBPRGKRZSA-N 1 0 321.377 2.586 20 5 DFBDRO C[C@H](CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[NH+](C)C ZINC000596433226 430514371 /nfs/dbraw/zinc/51/43/71/430514371.db2.gz SJJDKPHNKZHZCS-LLVKDONJSA-N 1 0 320.418 3.470 20 5 DFBDRO O=C(CC[NH2+]CCc1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000570390384 430539284 /nfs/dbraw/zinc/53/92/84/430539284.db2.gz BGVQIGWYCQMHEX-UHFFFAOYSA-N 1 0 319.386 2.817 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376516626 277840501 /nfs/dbraw/zinc/84/05/01/277840501.db2.gz CRUKAJAUQRCNRM-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cnc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)c(C)c1 ZINC000571320015 430621072 /nfs/dbraw/zinc/62/10/72/430621072.db2.gz FDLYWJVGMUBASQ-UHFFFAOYSA-N 1 0 312.373 2.602 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000262126001 277937458 /nfs/dbraw/zinc/93/74/58/277937458.db2.gz LAHBRHMZZCWSJI-AWEZNQCLSA-N 1 0 305.378 2.572 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000572302548 430681330 /nfs/dbraw/zinc/68/13/30/430681330.db2.gz IFCMLLKMMSAGKU-SUMWQHHRSA-N 1 0 324.384 2.828 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000331155384 278166882 /nfs/dbraw/zinc/16/68/82/278166882.db2.gz YMDMHFAAUCOXFP-OLZOCXBDSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000299723090 278337849 /nfs/dbraw/zinc/33/78/49/278337849.db2.gz SWQNACUIJUCRDH-QWHCGFSZSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C[NH3+] ZINC000262552249 278557864 /nfs/dbraw/zinc/55/78/64/278557864.db2.gz SREOSCNYFCBKKI-VXGBXAGGSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177538412 278912603 /nfs/dbraw/zinc/91/26/03/278912603.db2.gz GJOSBTPRYFWFLQ-STQMWFEESA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccnc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000115515987 278983865 /nfs/dbraw/zinc/98/38/65/278983865.db2.gz FZDKHNURABWOJI-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864754 279004827 /nfs/dbraw/zinc/00/48/27/279004827.db2.gz FPTCJTYNLNUWRZ-HIFRSBDPSA-N 1 0 300.362 2.669 20 5 DFBDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000130377748 279530363 /nfs/dbraw/zinc/53/03/63/279530363.db2.gz XDGTZRFPIYEYPF-BBRMVZONSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193633466 280045316 /nfs/dbraw/zinc/04/53/16/280045316.db2.gz ZKGGGDKNMTWFED-RISCZKNCSA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000286426245 280102181 /nfs/dbraw/zinc/10/21/81/280102181.db2.gz NIGFOEGVEAECSJ-HZMBPMFUSA-N 1 0 311.332 2.936 20 5 DFBDRO CC[C@@H](C)[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090526576 280122118 /nfs/dbraw/zinc/12/21/18/280122118.db2.gz KERRFTIDGWHJDI-OLZOCXBDSA-N 1 0 307.394 2.656 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000322146262 280205923 /nfs/dbraw/zinc/20/59/23/280205923.db2.gz XVNLNOVAYKWJBO-HIFRSBDPSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000360356598 280205954 /nfs/dbraw/zinc/20/59/54/280205954.db2.gz WXWFJBLNEXWGFR-HZPDHXFCSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377110 281185362 /nfs/dbraw/zinc/18/53/62/281185362.db2.gz IIYTYCLWRKJABC-GOEBONIOSA-N 1 0 317.389 2.684 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000086471206 288328489 /nfs/dbraw/zinc/32/84/89/288328489.db2.gz BNRKMEKBUYPXFG-DTWKUNHWSA-N 1 0 303.284 2.800 20 5 DFBDRO CCN(CC)c1ccc([N+](=O)[O-])c(NC(=O)C[NH+](CC)CC)c1 ZINC000153680392 289055373 /nfs/dbraw/zinc/05/53/73/289055373.db2.gz SQMZDGIEIISCIC-UHFFFAOYSA-N 1 0 322.409 2.721 20 5 DFBDRO C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415687816 289120705 /nfs/dbraw/zinc/12/07/05/289120705.db2.gz BKJOSUZXTZJXSZ-NSHDSACASA-N 1 0 322.409 2.869 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415705217 289122193 /nfs/dbraw/zinc/12/21/93/289122193.db2.gz STQQIIRUDOPWNK-NSHDSACASA-N 1 0 320.393 2.847 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415742296 289128901 /nfs/dbraw/zinc/12/89/01/289128901.db2.gz BCVRAWVOFCBELJ-UHFFFAOYSA-N 1 0 306.366 2.549 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415756326 289131064 /nfs/dbraw/zinc/13/10/64/289131064.db2.gz DUMHZFKLTIVAKK-CYBMUJFWSA-N 1 0 308.382 2.652 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415760552 289131905 /nfs/dbraw/zinc/13/19/05/289131905.db2.gz KHBLMABJBCZZBS-LBPRGKRZSA-N 1 0 308.382 2.652 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415764952 289132705 /nfs/dbraw/zinc/13/27/05/289132705.db2.gz QCGOEOSPPRBMIO-SMDDNHRTSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415771406 289133897 /nfs/dbraw/zinc/13/38/97/289133897.db2.gz ZQEGNFVYKQBIAS-WCQYABFASA-N 1 0 320.393 2.796 20 5 DFBDRO CC[NH2+][C@H](C)CNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000418592127 289158447 /nfs/dbraw/zinc/15/84/47/289158447.db2.gz OQTYOHJREURKBX-CYBMUJFWSA-N 1 0 322.409 2.513 20 5 DFBDRO CN(CCC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000105436179 289627852 /nfs/dbraw/zinc/62/78/52/289627852.db2.gz ALYQRDSNRGCMOH-UHFFFAOYSA-N 1 0 323.393 2.941 20 5 DFBDRO CS[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000436426445 297002909 /nfs/dbraw/zinc/00/29/09/297002909.db2.gz DKZYMKWFCVFBGU-CVEARBPZSA-N 1 0 321.446 2.919 20 5 DFBDRO [NH3+]C1(CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000237838577 295208672 /nfs/dbraw/zinc/20/86/72/295208672.db2.gz LFDKYIAMCPLHCA-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000292449178 295254244 /nfs/dbraw/zinc/25/42/44/295254244.db2.gz ZAXVVRHLWYKKHC-ZDUSSCGKSA-N 1 0 319.405 2.914 20 5 DFBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000261978841 295326365 /nfs/dbraw/zinc/32/63/65/295326365.db2.gz RAQUBZRYQGWJQE-CQSZACIVSA-N 1 0 301.321 2.624 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000157604293 295350695 /nfs/dbraw/zinc/35/06/95/295350695.db2.gz IEILYFMLRKVCKQ-TUAOUCFPSA-N 1 0 321.377 2.803 20 5 DFBDRO CN(c1ccccc1)c1ccc(C[N@H+](C)CCO)cc1[N+](=O)[O-] ZINC000157722613 295352286 /nfs/dbraw/zinc/35/22/86/295352286.db2.gz SGOYMYJDPKFUDF-UHFFFAOYSA-N 1 0 315.373 2.787 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000158290386 295361210 /nfs/dbraw/zinc/36/12/10/295361210.db2.gz FTLDYIXFZMMAHJ-ZDUSSCGKSA-N 1 0 302.378 2.920 20 5 DFBDRO CCCCCNC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411477206 295541995 /nfs/dbraw/zinc/54/19/95/295541995.db2.gz RLTXHXNBVNRQGQ-ZDUSSCGKSA-N 1 0 307.394 2.860 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411642072 295551092 /nfs/dbraw/zinc/55/10/92/295551092.db2.gz GPZXDHDJPADVFN-VBNZEHGJSA-N 1 0 319.405 2.545 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])cc1F ZINC000412030211 295578862 /nfs/dbraw/zinc/57/88/62/295578862.db2.gz ZHHKRYJDOKICFY-JTQLQIEISA-N 1 0 312.341 2.790 20 5 DFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000439690220 297135381 /nfs/dbraw/zinc/13/53/81/297135381.db2.gz AIXGUFJZCMLSDM-MRXNPFEDSA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000443954521 297229058 /nfs/dbraw/zinc/22/90/58/297229058.db2.gz CSEQEBLNFCIIQT-DGCLKSJQSA-N 1 0 320.393 2.816 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000444679971 297244519 /nfs/dbraw/zinc/24/45/19/297244519.db2.gz OCRQHZFPPFUEMB-BXUZGUMPSA-N 1 0 304.350 2.518 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000444765269 297249791 /nfs/dbraw/zinc/24/97/91/297249791.db2.gz DHEYWQMYKGZMAS-CYBMUJFWSA-N 1 0 305.378 2.562 20 5 DFBDRO CCOC(=O)c1cc(NCC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000445602489 297263534 /nfs/dbraw/zinc/26/35/34/297263534.db2.gz ZJHXJIREFOJIQP-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO C=Cn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000446825778 297287826 /nfs/dbraw/zinc/28/78/26/297287826.db2.gz DRLMYIOHFDWMAX-UHFFFAOYSA-N 1 0 306.753 2.878 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cccnc2)n1 ZINC000447530892 297306966 /nfs/dbraw/zinc/30/69/66/297306966.db2.gz PJRIDXLVOYZVFP-LSDHHAIUSA-N 1 0 315.377 2.502 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccncc2)n1 ZINC000447575450 297308826 /nfs/dbraw/zinc/30/88/26/297308826.db2.gz SPXWMAACQBTYDZ-LSDHHAIUSA-N 1 0 315.377 2.502 20 5 DFBDRO COCCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447584599 297309506 /nfs/dbraw/zinc/30/95/06/297309506.db2.gz GPPLDICOKXDLMO-KGLIPLIRSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cn2)n1 ZINC000447589826 297309652 /nfs/dbraw/zinc/30/96/52/297309652.db2.gz ZCKOGHOBPJSMPN-KBPBESRZSA-N 1 0 319.340 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3ccnc3C1)CCC2 ZINC000447603503 297310675 /nfs/dbraw/zinc/31/06/75/297310675.db2.gz XXKDHLKJODZKGB-XJKSGUPXSA-N 1 0 312.373 2.773 20 5 DFBDRO C[NH+](C)C1(CN=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CCCCC1 ZINC000447671196 297312757 /nfs/dbraw/zinc/31/27/57/297312757.db2.gz PLEPEFPYKRHMOE-UHFFFAOYSA-N 1 0 317.393 2.569 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1SCC[NH+](C)C ZINC000447809760 297318076 /nfs/dbraw/zinc/31/80/76/297318076.db2.gz CNLGUFATUWCGQA-UHFFFAOYSA-N 1 0 318.782 2.689 20 5 DFBDRO CN1CCCC(C)(C)[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000447897190 297324558 /nfs/dbraw/zinc/32/45/58/297324558.db2.gz LNTCKHJWNQZBSC-HNNXBMFYSA-N 1 0 309.385 2.944 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCSC1 ZINC000448022929 297329830 /nfs/dbraw/zinc/32/98/30/297329830.db2.gz QQDSCMHSSMAVNO-NWDGAFQWSA-N 1 0 323.418 2.655 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCOC1 ZINC000449163891 297415951 /nfs/dbraw/zinc/41/59/51/297415951.db2.gz NWGGASLBYNMODF-CABCVRRESA-N 1 0 322.405 2.559 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000449210301 297423037 /nfs/dbraw/zinc/42/30/37/297423037.db2.gz RUMMKKACIXOHNN-XHVZSJERSA-N 1 0 320.311 2.817 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449299129 297439840 /nfs/dbraw/zinc/43/98/40/297439840.db2.gz LCNCIZGTMRUEOT-CFVMTHIKSA-N 1 0 320.389 2.847 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000449514984 297484400 /nfs/dbraw/zinc/48/44/00/297484400.db2.gz ZHODMWJPJZEUHT-DOTOQJQBSA-N 1 0 304.390 2.790 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)C(C)(C)O ZINC000449718342 297519091 /nfs/dbraw/zinc/51/90/91/297519091.db2.gz GAPNOLLZCMSBQD-UHFFFAOYSA-N 1 0 310.394 2.880 20 5 DFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000449756697 297528244 /nfs/dbraw/zinc/52/82/44/297528244.db2.gz QNXRJNOTUOLAEB-HUUCEWRRSA-N 1 0 322.361 2.509 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451466970 297808806 /nfs/dbraw/zinc/80/88/06/297808806.db2.gz IUEPGFHJYHRRPX-KCPJHIHWSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000453115233 298063070 /nfs/dbraw/zinc/06/30/70/298063070.db2.gz WVHMBNKRVKMSLE-CABCVRRESA-N 1 0 306.362 2.651 20 5 DFBDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373683 298087781 /nfs/dbraw/zinc/08/77/81/298087781.db2.gz SZDUKYUQTKYUSN-STQMWFEESA-N 1 0 324.425 2.662 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000453420671 298093325 /nfs/dbraw/zinc/09/33/25/298093325.db2.gz ZSRCFDNIQYFHFW-KRWDZBQOSA-N 1 0 312.373 2.903 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000453635133 298107611 /nfs/dbraw/zinc/10/76/11/298107611.db2.gz RWFOXMQCZJLDAJ-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454140693 298125223 /nfs/dbraw/zinc/12/52/23/298125223.db2.gz QDUBHVUKPXCGQQ-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000454145854 298126307 /nfs/dbraw/zinc/12/63/07/298126307.db2.gz LYYMFGSGDVBJTA-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(NC(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000455101169 298300203 /nfs/dbraw/zinc/30/02/03/298300203.db2.gz YTLLMPWRNPICQT-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc21 ZINC000456271337 298484980 /nfs/dbraw/zinc/48/49/80/298484980.db2.gz XQBMQQQHIQBYDN-CYBMUJFWSA-N 1 0 315.329 2.989 20 5 DFBDRO C[NH+](C)CC(C)(C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000457207817 298673609 /nfs/dbraw/zinc/67/36/09/298673609.db2.gz ARUTYEARTYHZBB-UHFFFAOYSA-N 1 0 321.402 2.880 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000497291021 300186820 /nfs/dbraw/zinc/18/68/20/300186820.db2.gz ZVYPRAYBMBGFGE-UHFFFAOYSA-N 1 0 321.377 2.566 20 5 DFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000510130515 300244531 /nfs/dbraw/zinc/24/45/31/300244531.db2.gz FZZBXAANHKKRJS-GASCZTMLSA-N 1 0 308.378 2.991 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000514870197 300277033 /nfs/dbraw/zinc/27/70/33/300277033.db2.gz WREXZPIYSHYUMM-UHFFFAOYSA-N 1 0 319.405 2.919 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515671610 300318008 /nfs/dbraw/zinc/31/80/08/300318008.db2.gz OXPSOGBPAPPKAV-ILXRZTDVSA-N 1 0 318.373 2.904 20 5 DFBDRO COCCOCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516089493 300329123 /nfs/dbraw/zinc/32/91/23/300329123.db2.gz YKVIDZXVDNZNOX-OAHLLOKOSA-N 1 0 308.378 2.615 20 5 DFBDRO C[N@H+]1CC=C(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000516923535 300369626 /nfs/dbraw/zinc/36/96/26/300369626.db2.gz BSMYFAPBRIOVLY-UHFFFAOYSA-N 1 0 302.378 2.542 20 5 DFBDRO CCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000517556427 300399213 /nfs/dbraw/zinc/39/92/13/300399213.db2.gz JZNHOGMBEYGTPC-CQSZACIVSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000518977245 300439294 /nfs/dbraw/zinc/43/92/94/300439294.db2.gz FIGQUPNINHIGJG-SNVBAGLBSA-N 1 0 302.334 2.858 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000532215042 301136852 /nfs/dbraw/zinc/13/68/52/301136852.db2.gz HGKSJVZCTNBWQJ-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CO[C@H]1CCOC1 ZINC000532232915 301138334 /nfs/dbraw/zinc/13/83/34/301138334.db2.gz FUBICMNLVMUECB-IPYPFGDCSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])cn1 ZINC000532397010 301150221 /nfs/dbraw/zinc/15/02/21/301150221.db2.gz IWFNQXSLHWATKC-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)N2C3CCC2CC3)cccc1[N+](=O)[O-] ZINC000532466545 301154235 /nfs/dbraw/zinc/15/42/35/301154235.db2.gz QIGRXFNUPJNAHE-HIFPTAJRSA-N 1 0 303.362 2.857 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000533255555 301193259 /nfs/dbraw/zinc/19/32/59/301193259.db2.gz SYABKNHLJDTTBD-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533295421 301194256 /nfs/dbraw/zinc/19/42/56/301194256.db2.gz ZHKRNPNMEZFUKS-GHMZBOCLSA-N 1 0 302.334 2.875 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccc(C)cc1 ZINC000534872590 301239393 /nfs/dbraw/zinc/23/93/93/301239393.db2.gz SWJVLPBJQRSRIM-UHFFFAOYSA-N 1 0 315.373 2.587 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000537074659 301294121 /nfs/dbraw/zinc/29/41/21/301294121.db2.gz PFAGDAIMZATLAV-LBPRGKRZSA-N 1 0 305.378 2.694 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC1(C)C ZINC000539075468 301337655 /nfs/dbraw/zinc/33/76/55/301337655.db2.gz FWMNHWPWDDZZRZ-VXGBXAGGSA-N 1 0 305.378 2.948 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000539493781 301343336 /nfs/dbraw/zinc/34/33/36/301343336.db2.gz XOQFMHZSFNXMIQ-DZGCQCFKSA-N 1 0 310.394 2.749 20 5 DFBDRO COc1cc(C[NH2+][C@@H](CO)c2ccccc2C)ccc1[N+](=O)[O-] ZINC000543836300 301439240 /nfs/dbraw/zinc/43/92/40/301439240.db2.gz LVQHYJHBCKGYMU-HNNXBMFYSA-N 1 0 316.357 2.735 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548135817 301568879 /nfs/dbraw/zinc/56/88/79/301568879.db2.gz BXWPSIACMOUYBD-GFCCVEGCSA-N 1 0 319.405 2.646 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000134083922 301787695 /nfs/dbraw/zinc/78/76/95/301787695.db2.gz LQZNPWZWNXHMGT-QLFBSQMISA-N 1 0 321.421 2.663 20 5 DFBDRO CC(=O)c1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000562981196 302020908 /nfs/dbraw/zinc/02/09/08/302020908.db2.gz VQCBRDQGSDMMDN-JOCQHMNTSA-N 1 0 306.362 2.941 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149594 302041839 /nfs/dbraw/zinc/04/18/39/302041839.db2.gz MTCQAQLQWXIYBM-OAHLLOKOSA-N 1 0 309.797 2.824 20 5 DFBDRO O=C1CCCN1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000563270548 302056543 /nfs/dbraw/zinc/05/65/43/302056543.db2.gz YJHKQBSXYICHJY-INIZCTEOSA-N 1 0 317.389 2.574 20 5 DFBDRO Cc1nsc(C)c1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000563347779 302064251 /nfs/dbraw/zinc/06/42/51/302064251.db2.gz CLNMZIRLJTVHAV-UHFFFAOYSA-N 1 0 321.406 2.702 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000563417178 302070097 /nfs/dbraw/zinc/07/00/97/302070097.db2.gz JKOVTNREGVYUET-BMIGLBTASA-N 1 0 300.362 2.975 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000563590065 302084700 /nfs/dbraw/zinc/08/47/00/302084700.db2.gz NSHFMIAAEZWMDZ-HNNXBMFYSA-N 1 0 313.357 2.858 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000564076764 302117409 /nfs/dbraw/zinc/11/74/09/302117409.db2.gz GHYZBVAZHRCNFB-KSSFIOAISA-N 1 0 314.385 2.892 20 5 DFBDRO CC[C@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000564202981 302122708 /nfs/dbraw/zinc/12/27/08/302122708.db2.gz AKYZDDXWTNOZIP-KKUMJFAQSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000564714825 302152591 /nfs/dbraw/zinc/15/25/91/302152591.db2.gz NXXFUARZSWWOOW-CZUORRHYSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ncccn1 ZINC000564740633 302155432 /nfs/dbraw/zinc/15/54/32/302155432.db2.gz PEFLIDKNYYHQMM-UKRRQHHQSA-N 1 0 312.373 2.886 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155906 302198479 /nfs/dbraw/zinc/19/84/79/302198479.db2.gz GQBHRACIJBNJKV-LBPRGKRZSA-N 1 0 320.780 2.971 20 5 DFBDRO CC(C)(C)N1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000565219589 302208851 /nfs/dbraw/zinc/20/88/51/302208851.db2.gz YZDCPISAMXBBKP-RISCZKNCSA-N 1 0 317.389 2.571 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000565225162 302209898 /nfs/dbraw/zinc/20/98/98/302209898.db2.gz OCQAYFCLTRHKCA-HNNXBMFYSA-N 1 0 319.405 2.594 20 5 DFBDRO CC(C)CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000565299702 302216312 /nfs/dbraw/zinc/21/63/12/302216312.db2.gz KVDUZPXREHTLPA-AWEZNQCLSA-N 1 0 322.405 2.750 20 5 DFBDRO CC(C)CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000565299704 302216403 /nfs/dbraw/zinc/21/64/03/302216403.db2.gz KVDUZPXREHTLPA-CQSZACIVSA-N 1 0 322.405 2.750 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(COC)CC1 ZINC000566216805 302268132 /nfs/dbraw/zinc/26/81/32/302268132.db2.gz FRQIVOOCNZFMNQ-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000566970288 302326079 /nfs/dbraw/zinc/32/60/79/302326079.db2.gz KWEJAVCXGQEWKE-CQSZACIVSA-N 1 0 318.421 2.789 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000567331218 302350393 /nfs/dbraw/zinc/35/03/93/302350393.db2.gz FZWSUYOIVCFLJL-AWEZNQCLSA-N 1 0 313.357 2.988 20 5 DFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000569687285 302532951 /nfs/dbraw/zinc/53/29/51/302532951.db2.gz QWPBZPIXIAULTB-OAHLLOKOSA-N 1 0 322.405 2.750 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000573458690 302706450 /nfs/dbraw/zinc/70/64/50/302706450.db2.gz COYQTFSZTMLVFK-XYJFISCASA-N 1 0 316.401 2.969 20 5 DFBDRO CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835399 316074624 /nfs/dbraw/zinc/07/46/24/316074624.db2.gz OJMDSAARNBVIAO-GFCCVEGCSA-N 1 0 307.394 2.859 20 5 DFBDRO CC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181892751 316076487 /nfs/dbraw/zinc/07/64/87/316076487.db2.gz VAGKWXXMMZJUKN-GJZGRUSLSA-N 1 0 322.405 2.847 20 5 DFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183286369 316136949 /nfs/dbraw/zinc/13/69/49/316136949.db2.gz YSPXPRDZPFPRJB-VNQPRFMTSA-N 1 0 321.421 2.807 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000317403159 316248395 /nfs/dbraw/zinc/24/83/95/316248395.db2.gz GZGCTIUCFJYZKK-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321559202 316256522 /nfs/dbraw/zinc/25/65/22/316256522.db2.gz FZPLXDZBTSXRDY-CVEARBPZSA-N 1 0 319.405 2.710 20 5 DFBDRO CC1(C)CCCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446068488 317001914 /nfs/dbraw/zinc/00/19/14/317001914.db2.gz DBSYHQPFCSTDBE-OAHLLOKOSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451459435 317115819 /nfs/dbraw/zinc/11/58/19/317115819.db2.gz QIWRUHRNZKFEQE-XJKSGUPXSA-N 1 0 320.389 2.647 20 5 DFBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453167272 317168159 /nfs/dbraw/zinc/16/81/59/317168159.db2.gz AEVSXJKGWCMMRJ-CJNGLKHVSA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453245489 317171213 /nfs/dbraw/zinc/17/12/13/317171213.db2.gz KXSQLGTYAAWHFK-SJCJKPOMSA-N 1 0 318.348 2.988 20 5 DFBDRO COC[C@](C)(O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453248499 317172289 /nfs/dbraw/zinc/17/22/89/317172289.db2.gz FNJMPJSDNXIZJN-DOTOQJQBSA-N 1 0 322.405 2.694 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488043616 317363094 /nfs/dbraw/zinc/36/30/94/317363094.db2.gz QWDGZPDEQKKLIH-INIZCTEOSA-N 1 0 321.421 2.766 20 5 DFBDRO COc1cc(C[NH2+][C@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000494627186 317660967 /nfs/dbraw/zinc/66/09/67/317660967.db2.gz WOQAURNOMAOZJW-GFCCVEGCSA-N 1 0 322.386 2.797 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000571186896 317979113 /nfs/dbraw/zinc/97/91/13/317979113.db2.gz NARKJHBQOUOTPA-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000575132467 318066130 /nfs/dbraw/zinc/06/61/30/318066130.db2.gz SDKBFBGIJBCTOL-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000575774155 318082939 /nfs/dbraw/zinc/08/29/39/318082939.db2.gz MVRRRVHBLNRRQH-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO CC[NH2+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000576037976 318099750 /nfs/dbraw/zinc/09/97/50/318099750.db2.gz LJEDHWAMQFSHGE-UHFFFAOYSA-N 1 0 307.375 2.539 20 5 DFBDRO CN(C)c1ncccc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576412978 318124863 /nfs/dbraw/zinc/12/48/63/318124863.db2.gz XSTOYNAQQYYUFL-HNNXBMFYSA-N 1 0 312.373 2.833 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000576527043 318132313 /nfs/dbraw/zinc/13/23/13/318132313.db2.gz OHQAFWXUUNYWDZ-HNNXBMFYSA-N 1 0 313.357 2.858 20 5 DFBDRO C[C@@](O)(C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000576864644 318155567 /nfs/dbraw/zinc/15/55/67/318155567.db2.gz YYITWQPZPHHKIP-CYBMUJFWSA-N 1 0 320.311 2.820 20 5 DFBDRO CC[N@H+](C)CCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000577380269 318189126 /nfs/dbraw/zinc/18/91/26/318189126.db2.gz WTWFTIIRCAXTIZ-GFCCVEGCSA-N 1 0 305.300 2.740 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000577382916 318189492 /nfs/dbraw/zinc/18/94/92/318189492.db2.gz APQLQYYMBGAYMC-UHFFFAOYSA-N 1 0 318.377 2.571 20 5 DFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000577904748 318225293 /nfs/dbraw/zinc/22/52/93/318225293.db2.gz URJVVBHJIITHIS-JKSUJKDBSA-N 1 0 320.389 2.863 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](O)Cc1ccccc1 ZINC000578378486 318257173 /nfs/dbraw/zinc/25/71/73/318257173.db2.gz GMJAOMXTKFSBEY-RHSMWYFYSA-N 1 0 312.369 2.775 20 5 DFBDRO Cc1cnc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000579182441 318311795 /nfs/dbraw/zinc/31/17/95/318311795.db2.gz PUHQVMXLWNTFIR-RYUDHWBXSA-N 1 0 321.406 2.830 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000579859587 318359651 /nfs/dbraw/zinc/35/96/51/318359651.db2.gz XXGJNPQGQYYJGK-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000189756618 323226456 /nfs/dbraw/zinc/22/64/56/323226456.db2.gz LICFFAGLAWAPLI-ZDUSSCGKSA-N 1 0 319.405 2.790 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000194005861 323261359 /nfs/dbraw/zinc/26/13/59/323261359.db2.gz RTIUGPQKPNOFMO-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000194005516 323261716 /nfs/dbraw/zinc/26/17/16/323261716.db2.gz DADBREPBFXIMGQ-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000194005477 323261724 /nfs/dbraw/zinc/26/17/24/323261724.db2.gz DADBREPBFXIMGQ-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1nnsc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000384260159 323306154 /nfs/dbraw/zinc/30/61/54/323306154.db2.gz PDJUOKFWHZESQQ-UHFFFAOYSA-N 1 0 315.358 2.645 20 5 DFBDRO CC[NH2+][C@H](C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000387597880 323326597 /nfs/dbraw/zinc/32/65/97/323326597.db2.gz VEKDAJTUJNAMBI-MRVPVSSYSA-N 1 0 302.172 2.767 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000389713847 323336605 /nfs/dbraw/zinc/33/66/05/323336605.db2.gz ZPWJSIHKKFKVRK-PELKAZGASA-N 1 0 314.183 2.767 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805082 323338591 /nfs/dbraw/zinc/33/85/91/323338591.db2.gz AFUPIEXAJNGLPW-CJNGLKHVSA-N 1 0 312.373 2.922 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000580465408 323391139 /nfs/dbraw/zinc/39/11/39/323391139.db2.gz HPNJKMSTCCBXFR-UXLLHSPISA-N 1 0 301.390 2.799 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000580770140 323432452 /nfs/dbraw/zinc/43/24/52/323432452.db2.gz QUUITWOWWTUVSG-APIJFGDWSA-N 1 0 322.405 2.749 20 5 DFBDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000582246790 323638843 /nfs/dbraw/zinc/63/88/43/323638843.db2.gz QNLBGDPXNXNPTD-LLVKDONJSA-N 1 0 318.320 2.550 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC1CCOCC1 ZINC000583035780 323784586 /nfs/dbraw/zinc/78/45/86/323784586.db2.gz XEMJISRKJGXYQJ-MRXNPFEDSA-N 1 0 320.389 2.757 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000322146260 533748139 /nfs/dbraw/zinc/74/81/39/533748139.db2.gz XVNLNOVAYKWJBO-DZGCQCFKSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296749899 533820432 /nfs/dbraw/zinc/82/04/32/533820432.db2.gz PQDXDLWGGTUFLR-ZDUSSCGKSA-N 1 0 319.405 2.942 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccc([N+](=O)[O-])cc1 ZINC000295849705 533824548 /nfs/dbraw/zinc/82/45/48/533824548.db2.gz BYGSNNSMGZVHBC-NSHDSACASA-N 1 0 319.386 2.623 20 5 DFBDRO C[C@H](CCCC[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000311029009 533852661 /nfs/dbraw/zinc/85/26/61/533852661.db2.gz SGLDFULYRQRMLT-MRVPVSSYSA-N 1 0 317.187 2.682 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294792204 533878530 /nfs/dbraw/zinc/87/85/30/533878530.db2.gz OKTZVTJBBLNWOI-WFASDCNBSA-N 1 0 315.373 2.604 20 5 DFBDRO COC(=O)[C@@H](C)CN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000302105080 534212042 /nfs/dbraw/zinc/21/20/42/534212042.db2.gz WYEWEOAGNIWYTL-JTQLQIEISA-N 1 0 317.345 2.697 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCS2)n1 ZINC000331571277 518203101 /nfs/dbraw/zinc/20/31/01/518203101.db2.gz IQYINFFFHWXEAR-YNEHKIRRSA-N 1 0 310.423 2.760 20 5 DFBDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163913451 522326180 /nfs/dbraw/zinc/32/61/80/522326180.db2.gz FSKICOGHTAKQEF-PVUWLOKVSA-N 1 0 306.406 2.913 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000317323797 534810384 /nfs/dbraw/zinc/81/03/84/534810384.db2.gz WGJIWNUQFOFIPV-WDEREUQCSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363811119 525198868 /nfs/dbraw/zinc/19/88/68/525198868.db2.gz CIKDGUCNYFHJEJ-ZIAGYGMSSA-N 1 0 318.377 2.652 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873532 527755766 /nfs/dbraw/zinc/75/57/66/527755766.db2.gz SJDALFMOOGBSNN-UKRRQHHQSA-N 1 0 321.421 2.908 20 5 DFBDRO CC1(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000293029472 527930718 /nfs/dbraw/zinc/93/07/18/527930718.db2.gz GDMPCQPRWJXTEA-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CC[NH+]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000331308708 527932064 /nfs/dbraw/zinc/93/20/64/527932064.db2.gz BLXFZSOWMHHSCI-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000318057736 529018764 /nfs/dbraw/zinc/01/87/64/529018764.db2.gz UJLRQUBQRUWMQM-SWLSCSKDSA-N 1 0 307.394 2.939 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)C(C)C ZINC000354483578 534993495 /nfs/dbraw/zinc/99/34/95/534993495.db2.gz WTIPBAWMGYPVCY-UHFFFAOYSA-N 1 0 307.394 2.672 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362604464 535094110 /nfs/dbraw/zinc/09/41/10/535094110.db2.gz UBATZMKYAKVZGS-CJNGLKHVSA-N 1 0 319.405 2.530 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000355781187 535361894 /nfs/dbraw/zinc/36/18/94/535361894.db2.gz PJENUOYIWMDRPV-GXTWGEPZSA-N 1 0 307.394 2.939 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000367691994 535410972 /nfs/dbraw/zinc/41/09/72/535410972.db2.gz XBMMORWJRFLTKM-ZRJCITRHSA-N 1 0 306.362 2.537 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000358081769 535904133 /nfs/dbraw/zinc/90/41/33/535904133.db2.gz IGQFWRZXWAEJHJ-INIZCTEOSA-N 1 0 308.378 2.768 20 5 DFBDRO CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358347587 535945126 /nfs/dbraw/zinc/94/51/26/535945126.db2.gz CCOXRRIPUBBALT-JQWIXIFHSA-N 1 0 306.284 2.949 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCC1 ZINC000360851581 535969944 /nfs/dbraw/zinc/96/99/44/535969944.db2.gz OHUGDHHOZJMAOG-UHFFFAOYSA-N 1 0 309.414 2.796 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354557214 536181180 /nfs/dbraw/zinc/18/11/80/536181180.db2.gz CKKUXPUABSOVFG-NWDGAFQWSA-N 1 0 309.414 2.566 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000261644558 536346817 /nfs/dbraw/zinc/34/68/17/536346817.db2.gz DNILJQFPMRRBMQ-QMMMGPOBSA-N 1 0 308.363 2.517 20 5 DFBDRO COc1cc(N2CCC([NH2+]CC3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000261636230 536823960 /nfs/dbraw/zinc/82/39/60/536823960.db2.gz DNYDIXJYFHEWAP-UHFFFAOYSA-N 1 0 323.368 2.711 20 5 DFBDRO C[C@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390908 214136606 /nfs/dbraw/zinc/13/66/06/214136606.db2.gz CWMKSHLFTCZRHY-GJZGRUSLSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1ccnn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412994406 295667164 /nfs/dbraw/zinc/66/71/64/295667164.db2.gz QIKMTHYLIDNKCA-UHFFFAOYSA-N 1 0 300.362 2.826 20 5 DFBDRO Cc1sc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000278632342 214290782 /nfs/dbraw/zinc/29/07/82/214290782.db2.gz YCFGXPAPTMCSNN-UHFFFAOYSA-N 1 0 323.418 2.569 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC000413062475 295673046 /nfs/dbraw/zinc/67/30/46/295673046.db2.gz BLGUGSQTJXDQQY-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278683529 214322952 /nfs/dbraw/zinc/32/29/52/214322952.db2.gz KAIMNAYCBDBBEM-OGXQQIFESA-N 1 0 310.419 2.719 20 5 DFBDRO C[NH+](C)C1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413090847 295675437 /nfs/dbraw/zinc/67/54/37/295675437.db2.gz JRXRACFEBANGCS-UHFFFAOYSA-N 1 0 318.299 2.539 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000310858537 231115353 /nfs/dbraw/zinc/11/53/53/231115353.db2.gz NLRDOECKMMWLRQ-SECBINFHSA-N 1 0 316.199 2.967 20 5 DFBDRO C[C@@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000318281534 231168010 /nfs/dbraw/zinc/16/80/10/231168010.db2.gz LKDDPPUKTDUYFL-RKDXNWHRSA-N 1 0 318.299 2.903 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000322601537 231211632 /nfs/dbraw/zinc/21/16/32/231211632.db2.gz MVOVPMZRSZLTME-SQWLQELKSA-N 1 0 320.389 2.729 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C[C@H]2C1 ZINC000596214273 398358404 /nfs/dbraw/zinc/35/84/04/398358404.db2.gz REXXWGMWZVRABX-AOOOYVTPSA-N 1 0 315.295 2.611 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066203182 398362750 /nfs/dbraw/zinc/36/27/50/398362750.db2.gz UKTXKKUJTBWOTM-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2F)CC12CCCCC2 ZINC000596251076 398367887 /nfs/dbraw/zinc/36/78/87/398367887.db2.gz LQHCTKHNHFYVNO-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO CCc1ccc([C@@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000008337572 398372412 /nfs/dbraw/zinc/37/24/12/398372412.db2.gz ZGMCOUDZFCVLGP-CQSZACIVSA-N 1 0 317.393 2.606 20 5 DFBDRO Cc1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000237752289 398374245 /nfs/dbraw/zinc/37/42/45/398374245.db2.gz VUCAOFBOTYDVJO-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCSCC1 ZINC000089982678 185273858 /nfs/dbraw/zinc/27/38/58/185273858.db2.gz DSYPYYFOKBXTOX-UHFFFAOYSA-N 1 0 323.418 2.671 20 5 DFBDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090083967 185281203 /nfs/dbraw/zinc/28/12/03/185281203.db2.gz IPNXRURMSUWEGC-CYBMUJFWSA-N 1 0 308.378 2.831 20 5 DFBDRO COCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000092537481 185324676 /nfs/dbraw/zinc/32/46/76/185324676.db2.gz VVMSNFSSNYSSLZ-UHFFFAOYSA-N 1 0 304.293 2.665 20 5 DFBDRO NC(=O)CC[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092660045 185332011 /nfs/dbraw/zinc/33/20/11/185332011.db2.gz UWVMNLWVGFLMHK-BTKRWWFXSA-N 1 0 317.389 2.586 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000092616011 185328847 /nfs/dbraw/zinc/32/88/47/185328847.db2.gz NZECJVNEEHBFSK-BIENSFFJSA-N 1 0 301.390 2.778 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327087 398390436 /nfs/dbraw/zinc/39/04/36/398390436.db2.gz QATWJYQXOBFMKK-UHFFFAOYSA-N 1 0 306.322 2.542 20 5 DFBDRO CCc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000181450221 199298957 /nfs/dbraw/zinc/29/89/57/199298957.db2.gz FNTOBJCPTFIORU-ZDUSSCGKSA-N 1 0 315.373 2.670 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554487 199316764 /nfs/dbraw/zinc/31/67/64/199316764.db2.gz LNVKBRLMHDRICD-DOMZBBRYSA-N 1 0 320.389 2.597 20 5 DFBDRO CCOC(=O)c1cc(NCC[C@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596428600 398409620 /nfs/dbraw/zinc/40/96/20/398409620.db2.gz FNIHUMCJHHXFOT-NSHDSACASA-N 1 0 309.366 2.524 20 5 DFBDRO Cc1nc(N(C)CCC[N@H+](C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000286661034 219109851 /nfs/dbraw/zinc/10/98/51/219109851.db2.gz XAHYHWJXFKIWML-UHFFFAOYSA-N 1 0 318.377 2.850 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596451782 398416465 /nfs/dbraw/zinc/41/64/65/398416465.db2.gz AZWMMYLNAUUAAH-CHWSQXEVSA-N 1 0 322.409 2.604 20 5 DFBDRO CC[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592331416 398413503 /nfs/dbraw/zinc/41/35/03/398413503.db2.gz KDBBOLWQILRKIC-WFASDCNBSA-N 1 0 319.405 2.918 20 5 DFBDRO COc1ccc(Cc2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000592353127 398413955 /nfs/dbraw/zinc/41/39/55/398413955.db2.gz WNXADUYDYAAIOW-LLVKDONJSA-N 1 0 320.349 2.623 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000067034063 398414031 /nfs/dbraw/zinc/41/40/31/398414031.db2.gz ZKAVFUKNQATWQU-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2c1 ZINC000592356935 398414853 /nfs/dbraw/zinc/41/48/53/398414853.db2.gz MAVGCKFIGTVHQZ-JTQLQIEISA-N 1 0 300.274 2.816 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000067139356 398419927 /nfs/dbraw/zinc/41/99/27/398419927.db2.gz QXSFXYPCHGTCNQ-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592397534 398420899 /nfs/dbraw/zinc/42/08/99/398420899.db2.gz NCEVJYKYFVUAMN-GUYCJALGSA-N 1 0 322.405 2.731 20 5 DFBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596457620 398417995 /nfs/dbraw/zinc/41/79/95/398417995.db2.gz OTABAHZONNRLAZ-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592425663 398424523 /nfs/dbraw/zinc/42/45/23/398424523.db2.gz ICUDMZFBSQAECY-CQSZACIVSA-N 1 0 318.377 2.699 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592427693 398425470 /nfs/dbraw/zinc/42/54/70/398425470.db2.gz QJDQPXSKQDNMIS-WFASDCNBSA-N 1 0 307.394 2.553 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000067269188 398425617 /nfs/dbraw/zinc/42/56/17/398425617.db2.gz YDSGRRPRPLUJDC-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(N2C[C@H](C)C(O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596469048 398421176 /nfs/dbraw/zinc/42/11/76/398421176.db2.gz ILEWWVREEFVILK-QWRGUYRKSA-N 1 0 315.373 2.905 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592494913 398433855 /nfs/dbraw/zinc/43/38/55/398433855.db2.gz FCVXZWKMABBHGN-KRWDZBQOSA-N 1 0 315.348 2.792 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000596541558 398443222 /nfs/dbraw/zinc/44/32/22/398443222.db2.gz HLXNQXYCUSCLJE-UHFFFAOYSA-N 1 0 311.411 2.836 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567225 398445938 /nfs/dbraw/zinc/44/59/38/398445938.db2.gz AMGIVPHGQMJMPI-ZDUSSCGKSA-N 1 0 317.389 2.616 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796074 398447693 /nfs/dbraw/zinc/44/76/93/398447693.db2.gz IUGFCDXLZBLWGN-STQMWFEESA-N 1 0 305.378 2.633 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@@H]2CNC(=O)C2)C1 ZINC000585785750 398446991 /nfs/dbraw/zinc/44/69/91/398446991.db2.gz ANPAWBPVVFCZDX-RDBSUJKOSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1cnc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000596557329 398447118 /nfs/dbraw/zinc/44/71/18/398447118.db2.gz HLVHERDUURCXGD-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000286731264 219135099 /nfs/dbraw/zinc/13/50/99/219135099.db2.gz CZJOPEUIRWLOAM-LRDDRELGSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273070026 398449684 /nfs/dbraw/zinc/44/96/84/398449684.db2.gz OEPVGOVPINUHCA-DLBZAZTESA-N 1 0 320.389 2.911 20 5 DFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cccc([N+](=O)[O-])c4C)[C@H]1[C@H]3C2 ZINC000286735203 219136382 /nfs/dbraw/zinc/13/63/82/219136382.db2.gz XWWNOPQLVYSELL-CUINURIISA-N 1 0 302.374 2.758 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026161119 398450666 /nfs/dbraw/zinc/45/06/66/398450666.db2.gz RXBVZVNCPADZMT-BETUJISGSA-N 1 0 305.378 2.901 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000026712182 398455481 /nfs/dbraw/zinc/45/54/81/398455481.db2.gz INVQHHUJQSZCLH-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]([N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000027137279 398460740 /nfs/dbraw/zinc/46/07/40/398460740.db2.gz QQTUMDXRZJBFPQ-GFCCVEGCSA-N 1 0 319.405 2.850 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000596625308 398463927 /nfs/dbraw/zinc/46/39/27/398463927.db2.gz BPZZNBQKEROWOS-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000029091811 398478995 /nfs/dbraw/zinc/47/89/95/398478995.db2.gz QIGVLTVQWMPSHV-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000054459944 282412996 /nfs/dbraw/zinc/41/29/96/282412996.db2.gz CLRNILFYMSVWRI-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO Cn1cncc1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501967 299122392 /nfs/dbraw/zinc/12/23/92/299122392.db2.gz FQJBLZCHZSDNBK-HNNXBMFYSA-N 1 0 314.389 2.750 20 5 DFBDRO C[C@@H](CO)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000588204956 398489085 /nfs/dbraw/zinc/48/90/85/398489085.db2.gz QBOUROBLJRDLAL-AWEZNQCLSA-N 1 0 322.405 2.989 20 5 DFBDRO CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592828110 398491193 /nfs/dbraw/zinc/49/11/93/398491193.db2.gz CBDQPBUVBQVLGN-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C(C)C ZINC000030150148 398497343 /nfs/dbraw/zinc/49/73/43/398497343.db2.gz WGQLIVRTPRJGQZ-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235436099 201916255 /nfs/dbraw/zinc/91/62/55/201916255.db2.gz NMPZEDWIXFGETA-MRVPVSSYSA-N 1 0 306.288 2.761 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[NH2+]2)c(Br)cc1[N+](=O)[O-] ZINC000235908563 201922208 /nfs/dbraw/zinc/92/22/08/201922208.db2.gz MUTQCHZZRYUYRI-SECBINFHSA-N 1 0 314.183 2.830 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822840 398509397 /nfs/dbraw/zinc/50/93/97/398509397.db2.gz GWQHYDPGYQMRHI-KBPBESRZSA-N 1 0 321.425 2.573 20 5 DFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000596839585 398510967 /nfs/dbraw/zinc/51/09/67/398510967.db2.gz SYCITFSVKHACAX-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822845 398509825 /nfs/dbraw/zinc/50/98/25/398509825.db2.gz GWQHYDPGYQMRHI-ZIAGYGMSSA-N 1 0 321.425 2.573 20 5 DFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000596839586 398511205 /nfs/dbraw/zinc/51/12/05/398511205.db2.gz SYCITFSVKHACAX-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccn1C ZINC000588959295 398519724 /nfs/dbraw/zinc/51/97/24/398519724.db2.gz XEMJTYVIDIKHGD-LLVKDONJSA-N 1 0 313.361 2.703 20 5 DFBDRO CC1CC[NH+](CCCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589106943 398526704 /nfs/dbraw/zinc/52/67/04/398526704.db2.gz YHFWGUCYGJTXSO-UHFFFAOYSA-N 1 0 312.801 2.599 20 5 DFBDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000286893726 219214153 /nfs/dbraw/zinc/21/41/53/219214153.db2.gz LGXRGUSJESLGGI-ZFWWWQNUSA-N 1 0 319.405 2.662 20 5 DFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000317024290 398533609 /nfs/dbraw/zinc/53/36/09/398533609.db2.gz RVVKPIXSVVPMEM-GFCCVEGCSA-N 1 0 323.780 2.653 20 5 DFBDRO CCOc1cc(C[N@H+](CC)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000593068600 398537910 /nfs/dbraw/zinc/53/79/10/398537910.db2.gz DJMQWCFCKAYNIU-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593082272 398540624 /nfs/dbraw/zinc/54/06/24/398540624.db2.gz UUZGENAPAUITBH-LLVKDONJSA-N 1 0 303.362 2.844 20 5 DFBDRO CCc1nn(C)c(NC[C@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000091670629 398540277 /nfs/dbraw/zinc/54/02/77/398540277.db2.gz BEVQPDMNLPARLO-CYBMUJFWSA-N 1 0 323.441 2.813 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000589371605 398549111 /nfs/dbraw/zinc/54/91/11/398549111.db2.gz PAIQOUCKTJOGCY-NHYWBVRUSA-N 1 0 320.393 2.619 20 5 DFBDRO CC(C)[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000279776224 215136903 /nfs/dbraw/zinc/13/69/03/215136903.db2.gz APCOYTVYFOGEIR-INIZCTEOSA-N 1 0 302.378 2.821 20 5 DFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593128290 398553611 /nfs/dbraw/zinc/55/36/11/398553611.db2.gz DSWLADOBIFULMF-BYCMXARLSA-N 1 0 318.373 2.787 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000321957264 398555235 /nfs/dbraw/zinc/55/52/35/398555235.db2.gz FECYPPKELNDDBC-GFCCVEGCSA-N 1 0 315.377 2.824 20 5 DFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000039563974 398560276 /nfs/dbraw/zinc/56/02/76/398560276.db2.gz MGDBAPOPOUZHBV-UHFFFAOYSA-N 1 0 319.405 2.787 20 5 DFBDRO CCOC(=O)c1cc(NCC[N@H+](C)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000589571810 398560827 /nfs/dbraw/zinc/56/08/27/398560827.db2.gz ZQSSAUNKIGLTBX-GFCCVEGCSA-N 1 0 323.393 2.914 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000593190057 398568528 /nfs/dbraw/zinc/56/85/28/398568528.db2.gz DELACAKELCXCPP-MCIONIFRSA-N 1 0 319.405 2.765 20 5 DFBDRO CCCn1nccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000597129596 398571907 /nfs/dbraw/zinc/57/19/07/398571907.db2.gz ONHHVVWZHYIWDE-UHFFFAOYSA-N 1 0 302.378 2.876 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CO[C@H](C4CC4)C3)c2c1 ZINC000597132904 398573511 /nfs/dbraw/zinc/57/35/11/398573511.db2.gz NLUIOUFPFCRXET-DYVFJYSZSA-N 1 0 315.373 2.776 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593230105 398576155 /nfs/dbraw/zinc/57/61/55/398576155.db2.gz XOQJBVYMHNCREM-GFCCVEGCSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[NH2+]C1 ZINC000593233834 398577485 /nfs/dbraw/zinc/57/74/85/398577485.db2.gz XWGWYGXXRFTZHP-VXGBXAGGSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H](C1CC1)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123598 398583808 /nfs/dbraw/zinc/58/38/08/398583808.db2.gz JTNLVAGQIDHNIT-GFCCVEGCSA-N 1 0 317.389 2.821 20 5 DFBDRO CCOc1cc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092654317 398590288 /nfs/dbraw/zinc/59/02/88/398590288.db2.gz VXSSJSFEXNXEBZ-GXTWGEPZSA-N 1 0 305.378 2.666 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000597212347 398591847 /nfs/dbraw/zinc/59/18/47/398591847.db2.gz UQFARIJYQFMMLE-PNWPSHNFSA-N 1 0 302.374 2.966 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000597235587 398599960 /nfs/dbraw/zinc/59/99/60/398599960.db2.gz GKMTYIBHPVXKJU-GOEBONIOSA-N 1 0 306.362 2.806 20 5 DFBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000042763256 398602513 /nfs/dbraw/zinc/60/25/13/398602513.db2.gz XOAVAMDCKFGSNY-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000072606197 398625360 /nfs/dbraw/zinc/62/53/60/398625360.db2.gz CYIMPIDSHOOYED-OAHLLOKOSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093234890 398625642 /nfs/dbraw/zinc/62/56/42/398625642.db2.gz UWAXVCRXDDTJIM-WBMJQRKESA-N 1 0 301.346 2.716 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000152700867 186098584 /nfs/dbraw/zinc/09/85/84/186098584.db2.gz NCCPLFRJLJGBQB-CQSZACIVSA-N 1 0 320.776 2.941 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000590569741 398633024 /nfs/dbraw/zinc/63/30/24/398633024.db2.gz OIAPZBXGHUHHHA-UHFFFAOYSA-N 1 0 323.356 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](CC2CC2)CC1 ZINC000593455235 398633677 /nfs/dbraw/zinc/63/36/77/398633677.db2.gz QMKYEWBBEJQTDI-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H]2C)cc1[N+](=O)[O-] ZINC000590566442 398631771 /nfs/dbraw/zinc/63/17/71/398631771.db2.gz IWDOMIURKPABGA-DOMZBBRYSA-N 1 0 319.405 2.883 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414647021 295811325 /nfs/dbraw/zinc/81/13/25/295811325.db2.gz PXWDBJHUCUVEHM-DGCLKSJQSA-N 1 0 318.377 2.865 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171449588 186161768 /nfs/dbraw/zinc/16/17/68/186161768.db2.gz DYGUYZFZTIGKRN-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000459710903 299170048 /nfs/dbraw/zinc/17/00/48/299170048.db2.gz UXZUTAFIWWCPED-GFCCVEGCSA-N 1 0 304.371 2.922 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@@H]1C ZINC000177899077 186200881 /nfs/dbraw/zinc/20/08/81/186200881.db2.gz ZHADCANHUDXMSR-GHMZBOCLSA-N 1 0 302.334 2.875 20 5 DFBDRO CC(C)C[N@H+](C)CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000593480505 398641992 /nfs/dbraw/zinc/64/19/92/398641992.db2.gz QMQMOMOUAKTNQS-UHFFFAOYSA-N 1 0 311.411 2.694 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000414663488 295813456 /nfs/dbraw/zinc/81/34/56/295813456.db2.gz SFPMMVQMBHBFOW-HNNXBMFYSA-N 1 0 308.382 2.788 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000590695606 398653918 /nfs/dbraw/zinc/65/39/18/398653918.db2.gz KBGGJHJYRWAIEQ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC(C)(C)C1 ZINC000459736526 299177175 /nfs/dbraw/zinc/17/71/75/299177175.db2.gz GKKQNVAWYUVPIF-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1cc(C[NH2+]CC2(OC)CCCC2)c([N+](=O)[O-])cc1OC ZINC000296047825 186687054 /nfs/dbraw/zinc/68/70/54/186687054.db2.gz OJAKHGPGLVOCMI-UHFFFAOYSA-N 1 0 324.377 2.661 20 5 DFBDRO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171955393 198014934 /nfs/dbraw/zinc/01/49/34/198014934.db2.gz POXIESPXNKUGRX-GFCCVEGCSA-N 1 0 323.393 2.940 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000597586489 398665340 /nfs/dbraw/zinc/66/53/40/398665340.db2.gz DFPISOFMXLNPKH-UHFFFAOYSA-N 1 0 317.389 2.570 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756749 398667823 /nfs/dbraw/zinc/66/78/23/398667823.db2.gz IZARLPGLCSNGIK-TZTCFGBESA-N 1 0 319.361 2.885 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H](CO)CCF)o2)cc1 ZINC000593688348 398671161 /nfs/dbraw/zinc/67/11/61/398671161.db2.gz GNXLYYQBRPNLFJ-GFCCVEGCSA-N 1 0 308.309 2.665 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(O)CCCOC1 ZINC000593688499 398671063 /nfs/dbraw/zinc/67/10/63/398671063.db2.gz UREXYPRUSQCZSU-OOXMNIKJSA-N 1 0 320.389 2.519 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459773796 299188622 /nfs/dbraw/zinc/18/86/22/299188622.db2.gz TUUAHFOOVTWGEG-GJZGRUSLSA-N 1 0 306.362 2.651 20 5 DFBDRO CC[C@@H]([NH3+])CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414972215 295842797 /nfs/dbraw/zinc/84/27/97/295842797.db2.gz AIIVUQVGEHBQDZ-LLVKDONJSA-N 1 0 319.361 2.690 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965832 295842285 /nfs/dbraw/zinc/84/22/85/295842285.db2.gz WABVCPCULPDRRO-WBMJQRKESA-N 1 0 315.373 2.942 20 5 DFBDRO O=C(C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459781336 299191068 /nfs/dbraw/zinc/19/10/68/299191068.db2.gz NQXWBCHUKGZHPI-CDMKHQONSA-N 1 0 323.780 2.965 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172964487 198171086 /nfs/dbraw/zinc/17/10/86/198171086.db2.gz GANIGHAXKYUCOI-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000593761069 398682672 /nfs/dbraw/zinc/68/26/72/398682672.db2.gz NQGRECNLICYENZ-UHFFFAOYSA-N 1 0 320.393 2.750 20 5 DFBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173188675 198193769 /nfs/dbraw/zinc/19/37/69/198193769.db2.gz OPNKDVFOFNHWCW-SMDDNHRTSA-N 1 0 306.366 2.541 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173175901 198191978 /nfs/dbraw/zinc/19/19/78/198191978.db2.gz LMOPICUMBHXTQT-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 ZINC000173362082 198206782 /nfs/dbraw/zinc/20/67/82/198206782.db2.gz CSZUIEGEHCBQKO-RYUDHWBXSA-N 1 0 305.378 2.693 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976743 191261762 /nfs/dbraw/zinc/26/17/62/191261762.db2.gz QNMUCSNSGVDYIW-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000173566370 198227769 /nfs/dbraw/zinc/22/77/69/198227769.db2.gz YIBFPLQGHVJCLS-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000590899589 398697721 /nfs/dbraw/zinc/69/77/21/398697721.db2.gz YTYUVLIQVLVBTF-DGCLKSJQSA-N 1 0 305.378 2.670 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000590899591 398697798 /nfs/dbraw/zinc/69/77/98/398697798.db2.gz YTYUVLIQVLVBTF-YPMHNXCESA-N 1 0 305.378 2.670 20 5 DFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000590889218 398696656 /nfs/dbraw/zinc/69/66/56/398696656.db2.gz MXPFNHPOOIWQPD-CYBMUJFWSA-N 1 0 319.405 2.689 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178510 198301843 /nfs/dbraw/zinc/30/18/43/198301843.db2.gz ONVSRVIURCBKAV-CQSZACIVSA-N 1 0 320.393 2.933 20 5 DFBDRO CCN1CC[NH+](C[C@@H](C)CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000277123005 213307519 /nfs/dbraw/zinc/30/75/19/213307519.db2.gz OMFBQUWUJZUAQL-AWEZNQCLSA-N 1 0 320.437 2.589 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593906175 398702087 /nfs/dbraw/zinc/70/20/87/398702087.db2.gz SMOOEEFCZOHWCX-CQDKDKBSSA-N 1 0 317.389 2.611 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597857599 398705307 /nfs/dbraw/zinc/70/53/07/398705307.db2.gz GIENHMFJFWHLKH-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174546929 198350978 /nfs/dbraw/zinc/35/09/78/198350978.db2.gz XKEWYIZYMZFKGZ-LBPRGKRZSA-N 1 0 323.418 2.604 20 5 DFBDRO C[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000174572707 198354165 /nfs/dbraw/zinc/35/41/65/198354165.db2.gz ZOZBVXKHBZCTOD-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000174675097 198368160 /nfs/dbraw/zinc/36/81/60/198368160.db2.gz JEJVSRVMXGXAIK-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cncn2C)cc1[N+](=O)[O-] ZINC000593970481 398711566 /nfs/dbraw/zinc/71/15/66/398711566.db2.gz LPIPKMKYTIZMPD-CYBMUJFWSA-N 1 0 302.378 2.920 20 5 DFBDRO C[N@@H+](Cc1cccs1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046701907 398715806 /nfs/dbraw/zinc/71/58/06/398715806.db2.gz KKNVXYPKAGGVDY-CYBMUJFWSA-N 1 0 322.386 2.528 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415298587 295875986 /nfs/dbraw/zinc/87/59/86/295875986.db2.gz PESIXIMSOORHSZ-ZDUSSCGKSA-N 1 0 320.393 2.865 20 5 DFBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000460361745 299212133 /nfs/dbraw/zinc/21/21/33/299212133.db2.gz IDHVZWJECQQUPQ-LSDHHAIUSA-N 1 0 319.405 2.998 20 5 DFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000277002987 213232689 /nfs/dbraw/zinc/23/26/89/213232689.db2.gz OPHWYCOIONPKSN-DZGCQCFKSA-N 1 0 324.377 2.529 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415480564 295886366 /nfs/dbraw/zinc/88/63/66/295886366.db2.gz HOOSJGRQNLBMCP-STQMWFEESA-N 1 0 320.393 2.721 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415575613 295891799 /nfs/dbraw/zinc/89/17/99/295891799.db2.gz FJLWGGOCZKZRMD-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415588705 295892405 /nfs/dbraw/zinc/89/24/05/295892405.db2.gz YABXYAVALDYOAO-OCCSQVGLSA-N 1 0 320.393 2.945 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046992023 398729959 /nfs/dbraw/zinc/72/99/59/398729959.db2.gz AYLRKCIASUFZQR-CQSZACIVSA-N 1 0 319.405 2.837 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591149549 398732425 /nfs/dbraw/zinc/73/24/25/398732425.db2.gz GJXLGSHBLPBEGR-IAQYHMDHSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591149541 398732659 /nfs/dbraw/zinc/73/26/59/398732659.db2.gz FTQCOMYEHZHZRF-GZMMTYOYSA-N 1 0 318.299 2.761 20 5 DFBDRO CC1CC[NH+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000047017427 398732706 /nfs/dbraw/zinc/73/27/06/398732706.db2.gz CNAMEKUUTQHRQK-UHFFFAOYSA-N 1 0 319.405 2.837 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000591157147 398733981 /nfs/dbraw/zinc/73/39/81/398733981.db2.gz XUVIXTSUEJKPKA-LBPRGKRZSA-N 1 0 308.357 2.584 20 5 DFBDRO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276977818 213214857 /nfs/dbraw/zinc/21/48/57/213214857.db2.gz XVNDCNUBAHWHNL-ZFWWWQNUSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)C1CC1 ZINC000594066306 398736290 /nfs/dbraw/zinc/73/62/90/398736290.db2.gz VJNNQZQJVUUCHI-LBPRGKRZSA-N 1 0 308.378 2.727 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3cccc(Cl)c3C2)c1 ZINC000591239961 398741957 /nfs/dbraw/zinc/74/19/57/398741957.db2.gz LBZYBLZDPVPBIJ-LBPRGKRZSA-N 1 0 320.780 2.592 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281838 398745197 /nfs/dbraw/zinc/74/51/97/398745197.db2.gz OMHWNIOMTHVDHU-OEAJRASXSA-N 1 0 321.396 2.596 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000591307954 398746919 /nfs/dbraw/zinc/74/69/19/398746919.db2.gz KHYFCKTXPVUXPY-JSGCOSHPSA-N 1 0 320.393 2.748 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000114475199 398745522 /nfs/dbraw/zinc/74/55/22/398745522.db2.gz ATOAITHIHYTWPY-LLVKDONJSA-N 1 0 323.393 2.956 20 5 DFBDRO CC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591288605 398746010 /nfs/dbraw/zinc/74/60/10/398746010.db2.gz QNCQQNFEJOZZSS-STQMWFEESA-N 1 0 320.393 2.803 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000132384829 283116967 /nfs/dbraw/zinc/11/69/67/283116967.db2.gz ZWDVXLYYZQXYOB-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO Cc1nc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441673 398761540 /nfs/dbraw/zinc/76/15/40/398761540.db2.gz DBOOSMTZFJYMHI-KGLIPLIRSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000591442764 398761602 /nfs/dbraw/zinc/76/16/02/398761602.db2.gz RWLXKKMDXYUIEF-KBPBESRZSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591442483 398761607 /nfs/dbraw/zinc/76/16/07/398761607.db2.gz PUWLDXUYEITHHV-CHWSQXEVSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591443242 398761946 /nfs/dbraw/zinc/76/19/46/398761946.db2.gz ZDMCOKMMMSAWMJ-UONOGXRCSA-N 1 0 304.394 2.514 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591449315 398762767 /nfs/dbraw/zinc/76/27/67/398762767.db2.gz VCAKFOFEUOUGGX-CZUORRHYSA-N 1 0 319.405 2.566 20 5 DFBDRO COc1cc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591443329 398762393 /nfs/dbraw/zinc/76/23/93/398762393.db2.gz ZPOSKDWVYNZMKI-KGLIPLIRSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000594203899 398765698 /nfs/dbraw/zinc/76/56/98/398765698.db2.gz VIWAJNDHEAQGRD-JKSUJKDBSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1c(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000416089710 295919547 /nfs/dbraw/zinc/91/95/47/295919547.db2.gz BUUUNHBWCOVJOY-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000081333764 192252224 /nfs/dbraw/zinc/25/22/24/192252224.db2.gz PDKSWUSLDVBZEI-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000081290822 192245370 /nfs/dbraw/zinc/24/53/70/192245370.db2.gz RFEVWJJIWQCTRF-ZDUSSCGKSA-N 1 0 323.418 2.651 20 5 DFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081290417 192245643 /nfs/dbraw/zinc/24/56/43/192245643.db2.gz YHMBAGWWHVKKTA-CQSZACIVSA-N 1 0 317.389 2.589 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000591529521 398770249 /nfs/dbraw/zinc/77/02/49/398770249.db2.gz GWOZQCUBSIJKME-CYBMUJFWSA-N 1 0 319.405 2.672 20 5 DFBDRO CCOC[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081521006 192280923 /nfs/dbraw/zinc/28/09/23/192280923.db2.gz JVLYHISWLUEYRD-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)c1 ZINC000591646129 398778856 /nfs/dbraw/zinc/77/88/56/398778856.db2.gz JGDBGRKCUNBNTD-XJKSGUPXSA-N 1 0 316.361 2.575 20 5 DFBDRO Cc1occc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000591727983 398782816 /nfs/dbraw/zinc/78/28/16/398782816.db2.gz TUNSELBSEALQJK-UHFFFAOYSA-N 1 0 303.318 2.615 20 5 DFBDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591735392 398783363 /nfs/dbraw/zinc/78/33/63/398783363.db2.gz YVYNMJPAUOKTRG-IHRRRGAJSA-N 1 0 308.378 2.503 20 5 DFBDRO CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591762999 398785397 /nfs/dbraw/zinc/78/53/97/398785397.db2.gz USPDCQMYBDPXAN-ZIAGYGMSSA-N 1 0 322.405 2.893 20 5 DFBDRO CC(C)(C)OC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135233964 283211949 /nfs/dbraw/zinc/21/19/49/283211949.db2.gz COVDWTZDLKPKBK-OAHLLOKOSA-N 1 0 322.405 2.735 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000280381182 215584513 /nfs/dbraw/zinc/58/45/13/215584513.db2.gz UETVQQVWOAADSC-ZLDLUXBVSA-N 1 0 306.362 2.662 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000598342491 398796009 /nfs/dbraw/zinc/79/60/09/398796009.db2.gz NVDJHGUXLVBGNX-CQSZACIVSA-N 1 0 319.405 2.734 20 5 DFBDRO CCOc1cc(C[N@H+](C)CC2(O)CCCC2)ccc1[N+](=O)[O-] ZINC000276914610 213172537 /nfs/dbraw/zinc/17/25/37/213172537.db2.gz OBDPNCBQIVEAAH-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](CCO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276892403 213159904 /nfs/dbraw/zinc/15/99/04/213159904.db2.gz KHOHYMMAFHUUEG-HNNXBMFYSA-N 1 0 310.394 2.880 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000280461672 215644280 /nfs/dbraw/zinc/64/42/80/215644280.db2.gz ZXBUUYBFFCDNIB-DUVNUKRYSA-N 1 0 320.389 2.705 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000050009342 398802073 /nfs/dbraw/zinc/80/20/73/398802073.db2.gz OHUKXZWTEWBADI-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO CSc1ccc(C(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000178847173 198940762 /nfs/dbraw/zinc/94/07/62/198940762.db2.gz YIQVAKGJAYVIOJ-SNVBAGLBSA-N 1 0 323.418 2.516 20 5 DFBDRO COC(=O)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000280513798 215684105 /nfs/dbraw/zinc/68/41/05/215684105.db2.gz RLXIVBCZKZBWBQ-UHFFFAOYSA-N 1 0 306.362 2.603 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000075614226 398813469 /nfs/dbraw/zinc/81/34/69/398813469.db2.gz QVHWWNJGKIZTLC-LBPRGKRZSA-N 1 0 318.402 2.935 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C2OCCO2)CC1 ZINC000075684752 398817581 /nfs/dbraw/zinc/81/75/81/398817581.db2.gz XBZFXGSVNOXRJJ-LBPRGKRZSA-N 1 0 306.362 2.741 20 5 DFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000179618310 199065311 /nfs/dbraw/zinc/06/53/11/199065311.db2.gz IAZZTWBVEKAHSS-ZDUSSCGKSA-N 1 0 310.304 2.810 20 5 DFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000075703514 398818242 /nfs/dbraw/zinc/81/82/42/398818242.db2.gz FIJXJRZJQWGBAR-GFCCVEGCSA-N 1 0 305.378 2.604 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594596986 398827333 /nfs/dbraw/zinc/82/73/33/398827333.db2.gz BTIWZXZDVJEGSR-OLZOCXBDSA-N 1 0 307.398 2.548 20 5 DFBDRO C[NH+](C)CCOc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000052408007 398839836 /nfs/dbraw/zinc/83/98/36/398839836.db2.gz YLIHJEQDEHKVNF-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152649657 283333237 /nfs/dbraw/zinc/33/32/37/283333237.db2.gz GZKGHHLXPJIVTE-GFCCVEGCSA-N 1 0 307.394 2.738 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594695215 398843822 /nfs/dbraw/zinc/84/38/22/398843822.db2.gz AETPCLVXFZXAMR-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)ncc1[N+](=O)[O-] ZINC000594697844 398844432 /nfs/dbraw/zinc/84/44/32/398844432.db2.gz SNAWLLCXEKYLJP-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO CCOc1cncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000598637187 398844581 /nfs/dbraw/zinc/84/45/81/398844581.db2.gz YYANMWQVBFSYQW-UHFFFAOYSA-N 1 0 301.346 2.721 20 5 DFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCC1 ZINC000598636713 398844779 /nfs/dbraw/zinc/84/47/79/398844779.db2.gz ZWAUGZAOJPNSID-UHFFFAOYSA-N 1 0 301.293 2.750 20 5 DFBDRO O=[N+]([O-])c1cc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cs1 ZINC000594738438 398853105 /nfs/dbraw/zinc/85/31/05/398853105.db2.gz DDJMPOFUZVBHMZ-CQSZACIVSA-N 1 0 319.386 2.929 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(C)C1 ZINC000598677152 398853322 /nfs/dbraw/zinc/85/33/22/398853322.db2.gz LZHWNAPOAAQNDG-CPCZMJQVSA-N 1 0 305.378 2.948 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668498 398850913 /nfs/dbraw/zinc/85/09/13/398850913.db2.gz VLJHYOJGMHFMLR-SUMWQHHRSA-N 1 0 317.389 2.672 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668496 398851086 /nfs/dbraw/zinc/85/10/86/398851086.db2.gz VLJHYOJGMHFMLR-DYVFJYSZSA-N 1 0 317.389 2.672 20 5 DFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000076693963 398865535 /nfs/dbraw/zinc/86/55/35/398865535.db2.gz KGMVTALKZLYPJU-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134774275 398868097 /nfs/dbraw/zinc/86/80/97/398868097.db2.gz GPEANHGSBDHYGG-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000180587655 199180702 /nfs/dbraw/zinc/18/07/02/199180702.db2.gz NWJIOUJXZUWNHB-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000180672349 199194426 /nfs/dbraw/zinc/19/44/26/199194426.db2.gz CYUXUJZYNACMBY-UHFFFAOYSA-N 1 0 308.382 2.707 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000053583416 398878544 /nfs/dbraw/zinc/87/85/44/398878544.db2.gz CBKOZPXYVLEZGZ-LLVKDONJSA-N 1 0 308.338 2.647 20 5 DFBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594950128 398879872 /nfs/dbraw/zinc/87/98/72/398879872.db2.gz IZIKUHLLOCXYMU-SIAJKBFNSA-N 1 0 320.389 2.639 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000594964658 398882936 /nfs/dbraw/zinc/88/29/36/398882936.db2.gz LTBAJFHAEVRPRT-XHSDSOJGSA-N 1 0 322.405 2.559 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594964677 398883385 /nfs/dbraw/zinc/88/33/85/398883385.db2.gz LYKIAMKCRCQGHZ-IAOVAPTHSA-N 1 0 322.405 2.559 20 5 DFBDRO C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963975 398883447 /nfs/dbraw/zinc/88/34/47/398883447.db2.gz YNLZUZOPTOMQHF-ZZPLEAIBSA-N 1 0 314.382 2.513 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](OC)C2CCCC2)c([N+](=O)[O-])cc1O ZINC000594995065 398888781 /nfs/dbraw/zinc/88/87/81/398888781.db2.gz OENUHCMWPGDKTG-MRXNPFEDSA-N 1 0 324.377 2.604 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468609809 299281056 /nfs/dbraw/zinc/28/10/56/299281056.db2.gz IVGSUANTVLHMPL-UKTHLTGXSA-N 1 0 319.405 2.750 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC(CO)C3)o2)c1 ZINC000595000652 398889440 /nfs/dbraw/zinc/88/94/40/398889440.db2.gz JYMXDGCCRRBPAC-UHFFFAOYSA-N 1 0 302.330 2.715 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004658 398890062 /nfs/dbraw/zinc/89/00/62/398890062.db2.gz QXAAWBFYBCSFHC-JSGCOSHPSA-N 1 0 307.394 2.738 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000468739895 299281587 /nfs/dbraw/zinc/28/15/87/299281587.db2.gz SLNDKNNAEMSKDL-CUXKMMBLSA-N 1 0 312.373 2.868 20 5 DFBDRO CCc1nn(C)c(N[C@@H](C)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000172823336 283387026 /nfs/dbraw/zinc/38/70/26/283387026.db2.gz LMHVYKVIQPRTGW-LBPRGKRZSA-N 1 0 311.430 2.813 20 5 DFBDRO CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008195 398890758 /nfs/dbraw/zinc/89/07/58/398890758.db2.gz BUTWJPOBSRHMLF-CHWSQXEVSA-N 1 0 307.394 2.596 20 5 DFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173959650 283391906 /nfs/dbraw/zinc/39/19/06/283391906.db2.gz LWLQJVIZTOGKTQ-HNNXBMFYSA-N 1 0 321.421 2.780 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1nc(C)no1 ZINC000595013145 398891722 /nfs/dbraw/zinc/89/17/22/398891722.db2.gz ICUUYDZIPONLEF-JTQLQIEISA-N 1 0 320.349 2.578 20 5 DFBDRO [NH3+]CC1(CC(=O)NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000185355947 199842312 /nfs/dbraw/zinc/84/23/12/199842312.db2.gz LPAAJWNZQDADOB-UHFFFAOYSA-N 1 0 305.378 2.510 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(CF)(CF)C1 ZINC000595014372 398891899 /nfs/dbraw/zinc/89/18/99/398891899.db2.gz VATZTQUKWSNUMV-UHFFFAOYSA-N 1 0 300.305 2.781 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000595016031 398892733 /nfs/dbraw/zinc/89/27/33/398892733.db2.gz GJOPCVDYHNBTKJ-JSGCOSHPSA-N 1 0 319.405 2.738 20 5 DFBDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000595016432 398892841 /nfs/dbraw/zinc/89/28/41/398892841.db2.gz ZAGOYAFNJMKEJU-HNNXBMFYSA-N 1 0 308.378 2.516 20 5 DFBDRO CCOc1cc(N(C)C[C@@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000174917842 283395092 /nfs/dbraw/zinc/39/50/92/283395092.db2.gz FENAYYMHKSXXFC-AWEZNQCLSA-N 1 0 307.394 2.914 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000598915460 398892902 /nfs/dbraw/zinc/89/29/02/398892902.db2.gz MGMUVVQAVPCNNS-DOMZBBRYSA-N 1 0 318.377 2.591 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913974 398892981 /nfs/dbraw/zinc/89/29/81/398892981.db2.gz SZFZQVIICYWZJK-GFCCVEGCSA-N 1 0 312.345 2.571 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000595023903 398893945 /nfs/dbraw/zinc/89/39/45/398893945.db2.gz ZIWBHEGTHITVFP-PWSUYJOCSA-N 1 0 318.377 2.917 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000595026563 398893774 /nfs/dbraw/zinc/89/37/74/398893774.db2.gz PPWQLSOSVFQDKN-YWPYICTPSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCNc1ccccn1 ZINC000595024468 398894298 /nfs/dbraw/zinc/89/42/98/398894298.db2.gz GEWSHAJNBBPEQS-GFCCVEGCSA-N 1 0 316.361 2.761 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000595029859 398894913 /nfs/dbraw/zinc/89/49/13/398894913.db2.gz ZROXAEHQVFBVQI-SCRDCRAPSA-N 1 0 308.378 2.805 20 5 DFBDRO CC[N@H+]1C[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595030738 398894971 /nfs/dbraw/zinc/89/49/71/398894971.db2.gz VDQWNEGAPKINIA-ZOWXZIJZSA-N 1 0 307.394 2.594 20 5 DFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054287035 398895006 /nfs/dbraw/zinc/89/50/06/398895006.db2.gz HQNQZNVYZWMQME-CYBMUJFWSA-N 1 0 319.405 2.835 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000595037790 398895906 /nfs/dbraw/zinc/89/59/06/398895906.db2.gz ILYHXMUTNPOTCF-ABAIWWIYSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1nnc(C(C)C)[nH]1 ZINC000595042533 398896269 /nfs/dbraw/zinc/89/62/69/398896269.db2.gz SKRJHWJKALYFSU-SNVBAGLBSA-N 1 0 319.365 2.696 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CC=CCC1 ZINC000595055806 398898917 /nfs/dbraw/zinc/89/89/17/398898917.db2.gz ZXAVDMADNQDPKJ-CYBMUJFWSA-N 1 0 305.378 2.516 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCOC1 ZINC000595059767 398899928 /nfs/dbraw/zinc/89/99/28/398899928.db2.gz IJKUDWCPNFBKMA-HEHGZKQESA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000595060270 398899557 /nfs/dbraw/zinc/89/95/57/398899557.db2.gz LYFOKQGFMRSZBG-IVMMDQJWSA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000595062306 398900649 /nfs/dbraw/zinc/90/06/49/398900649.db2.gz VXTQBTLIBXBCSU-XJKCOSOUSA-N 1 0 308.378 2.605 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCO[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000595067807 398901388 /nfs/dbraw/zinc/90/13/88/398901388.db2.gz IRXCZOOWKWFBLJ-MFKMUULPSA-N 1 0 300.305 2.978 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000280980390 216001432 /nfs/dbraw/zinc/00/14/32/216001432.db2.gz BGOIUERFPSUNGO-ACCUITESSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)COc2ccccc2O1 ZINC000598985063 398903038 /nfs/dbraw/zinc/90/30/38/398903038.db2.gz HYOZJPWXYVHHNO-QGZVFWFLSA-N 1 0 314.341 2.915 20 5 DFBDRO C[N@@H+]1CCCC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994337 398905166 /nfs/dbraw/zinc/90/51/66/398905166.db2.gz KGUZIADPTRDGLP-WUKHSURWSA-N 1 0 303.406 2.930 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H](O)C13CCC3)CCC2 ZINC000595088159 398903634 /nfs/dbraw/zinc/90/36/34/398903634.db2.gz HULGKWMSWHSIJI-PMPSAXMXSA-N 1 0 302.374 2.865 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595092389 398903800 /nfs/dbraw/zinc/90/38/00/398903800.db2.gz VDIXREQHDVLKHE-VQISRLSMSA-N 1 0 306.362 2.558 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595092269 398903807 /nfs/dbraw/zinc/90/38/07/398903807.db2.gz WPPBHRPYNFIHIR-KNXALSJPSA-N 1 0 320.389 2.948 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595092385 398904128 /nfs/dbraw/zinc/90/41/28/398904128.db2.gz VDIXREQHDVLKHE-COLVAYQJSA-N 1 0 306.362 2.558 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598994334 398904906 /nfs/dbraw/zinc/90/49/06/398904906.db2.gz KGUZIADPTRDGLP-AJHXJQRKSA-N 1 0 303.406 2.930 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3CC(O)C3)o2)cc1 ZINC000599007336 398906817 /nfs/dbraw/zinc/90/68/17/398906817.db2.gz OMYNDMUWXJLVCB-UHFFFAOYSA-N 1 0 302.330 2.715 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000281004819 216015387 /nfs/dbraw/zinc/01/53/87/216015387.db2.gz YBBPAESHNNPHFR-INMHGKMJSA-N 1 0 322.405 2.671 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C[NH+](C)C)C1 ZINC000470170780 299293144 /nfs/dbraw/zinc/29/31/44/299293144.db2.gz AFWBUEFGSRYYRN-SCZPIIQISA-N 1 0 303.406 2.882 20 5 DFBDRO CSc1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000281043482 216040169 /nfs/dbraw/zinc/04/01/69/216040169.db2.gz JKETXFPACCQVLD-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225709 398911730 /nfs/dbraw/zinc/91/17/30/398911730.db2.gz NNLVLTQTQRQKRC-HOCLYGCPSA-N 1 0 317.389 2.589 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185704519 283464449 /nfs/dbraw/zinc/46/44/49/283464449.db2.gz RFTTZKQVZVVGEA-ZDUSSCGKSA-N 1 0 320.393 2.981 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000077587927 398912397 /nfs/dbraw/zinc/91/23/97/398912397.db2.gz KELRMDAHPDBKNE-UHFFFAOYSA-N 1 0 323.368 2.679 20 5 DFBDRO CCn1nncc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599062471 398914897 /nfs/dbraw/zinc/91/48/97/398914897.db2.gz RERGGBGUGGVOLV-MRXNPFEDSA-N 1 0 315.377 2.764 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000077656649 398916355 /nfs/dbraw/zinc/91/63/55/398916355.db2.gz SGJJTFZLDRZJFU-NSHDSACASA-N 1 0 308.338 2.789 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(O)C1 ZINC000599083570 398918497 /nfs/dbraw/zinc/91/84/97/398918497.db2.gz ZXSSZMLMAYHLFX-OTTFEQOBSA-N 1 0 310.419 2.826 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312271 398921188 /nfs/dbraw/zinc/92/11/88/398921188.db2.gz SEKPEEXAWOXKGS-HUUCEWRRSA-N 1 0 307.369 2.793 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)nc1 ZINC000595376733 398929078 /nfs/dbraw/zinc/92/90/78/398929078.db2.gz SSYYWRUQBWHXFW-LXTVHRRPSA-N 1 0 316.405 2.912 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000595377227 398929394 /nfs/dbraw/zinc/92/93/94/398929394.db2.gz NAZBNBWILCNVRX-GFCCVEGCSA-N 1 0 304.325 2.837 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000189080467 200346142 /nfs/dbraw/zinc/34/61/42/200346142.db2.gz NDALRJITAXUZJQ-NSHDSACASA-N 1 0 310.785 2.708 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000366406938 283529973 /nfs/dbraw/zinc/52/99/73/283529973.db2.gz ATZDJQZKCBCSLE-UHFFFAOYSA-N 1 0 311.341 2.647 20 5 DFBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809811 299307289 /nfs/dbraw/zinc/30/72/89/299307289.db2.gz JETAYWNYHOOXRS-FZMZJTMJSA-N 1 0 302.330 2.810 20 5 DFBDRO CO[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417344234 296012230 /nfs/dbraw/zinc/01/22/30/296012230.db2.gz PTMMBTYGBARQCO-SJORKVTESA-N 1 0 320.389 2.757 20 5 DFBDRO CN(C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355323 296013337 /nfs/dbraw/zinc/01/33/37/296013337.db2.gz NKQILRRLIQKZKA-GDBMZVCRSA-N 1 0 317.433 2.990 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(N(C)C)CC2)cc1[N+](=O)[O-] ZINC000417352828 296013185 /nfs/dbraw/zinc/01/31/85/296013185.db2.gz HERMPEYHLNSDOL-LBPRGKRZSA-N 1 0 307.394 2.738 20 5 DFBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595428565 398936626 /nfs/dbraw/zinc/93/66/26/398936626.db2.gz YWJXYEHGEJWBNR-UHFFFAOYSA-N 1 0 323.368 2.613 20 5 DFBDRO Cc1noc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595435969 398938034 /nfs/dbraw/zinc/93/80/34/398938034.db2.gz KSILEZRJYBBWAC-YRXQGLPXSA-N 1 0 317.345 2.934 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(CC)CC ZINC000595441268 398939381 /nfs/dbraw/zinc/93/93/81/398939381.db2.gz VQTKHBABNOXKMS-QWHCGFSZSA-N 1 0 311.382 2.965 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246060640 283569349 /nfs/dbraw/zinc/56/93/49/283569349.db2.gz YRFHXMAHXSUVIU-HUBLWGQQSA-N 1 0 305.378 2.724 20 5 DFBDRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281261131 216192613 /nfs/dbraw/zinc/19/26/13/216192613.db2.gz FFJSCOHVWYQNSE-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000190999808 200614335 /nfs/dbraw/zinc/61/43/35/200614335.db2.gz AAKKJYYJEPQSRS-UHFFFAOYSA-N 1 0 320.393 2.935 20 5 DFBDRO COc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505193 398951809 /nfs/dbraw/zinc/95/18/09/398951809.db2.gz QNQWXHBJXGDPIB-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000595510385 398954312 /nfs/dbraw/zinc/95/43/12/398954312.db2.gz AGYOKVFSGOSNFG-YUELXQCFSA-N 1 0 306.337 2.781 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000595525339 398956604 /nfs/dbraw/zinc/95/66/04/398956604.db2.gz RDOGDLDMWGRPDV-ZBFHGGJFSA-N 1 0 308.353 2.621 20 5 DFBDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196140 398957096 /nfs/dbraw/zinc/95/70/96/398957096.db2.gz RBJDKQSWRYOEGB-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000599355387 398959939 /nfs/dbraw/zinc/95/99/39/398959939.db2.gz ZWJUNDHBBPVWIE-CYBMUJFWSA-N 1 0 308.378 2.749 20 5 DFBDRO Cc1noc(C[NH2+][C@H](C)CCCc2cccnc2)c1[N+](=O)[O-] ZINC000595540242 398961933 /nfs/dbraw/zinc/96/19/33/398961933.db2.gz PGRUFPPPUQUTIC-LLVKDONJSA-N 1 0 304.350 2.787 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600133827 398963512 /nfs/dbraw/zinc/96/35/12/398963512.db2.gz BYKLRCWUAMARNR-SNVBAGLBSA-N 1 0 300.305 2.997 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000613389195 398968545 /nfs/dbraw/zinc/96/85/45/398968545.db2.gz KQBSZLPBMGCVHW-CZUORRHYSA-N 1 0 300.358 2.849 20 5 DFBDRO Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000193668281 201098585 /nfs/dbraw/zinc/09/85/85/201098585.db2.gz OLLZLDUDSKYZPG-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO CSC1(C[NH2+][C@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000193820105 201127819 /nfs/dbraw/zinc/12/78/19/201127819.db2.gz ARYGDPNNWDZDOV-LLVKDONJSA-N 1 0 323.418 2.797 20 5 DFBDRO C[N@H+](CCC1CCOCC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193990018 201157303 /nfs/dbraw/zinc/15/73/03/201157303.db2.gz UDWUMDHBMLIWBH-UHFFFAOYSA-N 1 0 323.349 2.752 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000194173114 201191220 /nfs/dbraw/zinc/19/12/20/201191220.db2.gz DNXPVOJLCQWODS-WFASDCNBSA-N 1 0 307.394 2.940 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccoc1 ZINC000165857543 398992402 /nfs/dbraw/zinc/99/24/02/398992402.db2.gz KVTGNBRAYQDEMC-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1(C)COC1 ZINC000600192172 398997169 /nfs/dbraw/zinc/99/71/69/398997169.db2.gz TVEITIOQNKRTAW-UHFFFAOYSA-N 1 0 316.304 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608346 398997856 /nfs/dbraw/zinc/99/78/56/398997856.db2.gz OAQRDQHBLURVBL-KBPBESRZSA-N 1 0 315.377 2.578 20 5 DFBDRO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000599507896 398998840 /nfs/dbraw/zinc/99/88/40/398998840.db2.gz WABGJXUGLQXRTO-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO COCCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000599507550 398998658 /nfs/dbraw/zinc/99/86/58/398998658.db2.gz YPCFGIHODQNFDI-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417818651 296054298 /nfs/dbraw/zinc/05/42/98/296054298.db2.gz AYIDWBBPIVULRX-CQSZACIVSA-N 1 0 322.409 2.672 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286246671 291306480 /nfs/dbraw/zinc/30/64/80/291306480.db2.gz BZAKRUSAUHXGSL-CMPLNLGQSA-N 1 0 310.785 2.706 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275495044 212372839 /nfs/dbraw/zinc/37/28/39/212372839.db2.gz BYXMKILTJTVWIR-HUUCEWRRSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[C@H](O)CC[C@@H]3C2)c(Cl)c1 ZINC000595637467 399013714 /nfs/dbraw/zinc/01/37/14/399013714.db2.gz XERVXNGGKNSTQG-SCDSUCTJSA-N 1 0 310.781 2.841 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000249522544 283795492 /nfs/dbraw/zinc/79/54/92/283795492.db2.gz OPMHTRWOYSAUJZ-QPSCCSFWSA-N 1 0 322.405 2.749 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275451498 212340803 /nfs/dbraw/zinc/34/08/03/212340803.db2.gz XVSJXRXUVCLIAL-ZDUSSCGKSA-N 1 0 318.421 2.731 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595639289 399014928 /nfs/dbraw/zinc/01/49/28/399014928.db2.gz RPRXVLBIWZZAOK-LLVKDONJSA-N 1 0 323.393 2.956 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595642691 399016397 /nfs/dbraw/zinc/01/63/97/399016397.db2.gz QRHVKKHQDDIILC-GFCCVEGCSA-N 1 0 307.394 2.972 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599601180 399026992 /nfs/dbraw/zinc/02/69/92/399026992.db2.gz JVKSWNTYTXNEFX-AWEZNQCLSA-N 1 0 320.393 2.673 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000254966694 283837594 /nfs/dbraw/zinc/83/75/94/283837594.db2.gz VBXPEEMYKBOGNH-YHAOYDPOSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000599622407 399032574 /nfs/dbraw/zinc/03/25/74/399032574.db2.gz CDGLCAOQZAVEBV-SPTRTOBYSA-N 1 0 305.334 2.638 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626503 399033152 /nfs/dbraw/zinc/03/31/52/399033152.db2.gz XCGAWUAHVHAKHI-YMEQNVIZSA-N 1 0 308.378 2.895 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595690145 399036919 /nfs/dbraw/zinc/03/69/19/399036919.db2.gz VRIRXLZQCMYTOS-CALCHBBNSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595695835 399039025 /nfs/dbraw/zinc/03/90/25/399039025.db2.gz ICAVRHKSNWRXDY-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595695499 399039185 /nfs/dbraw/zinc/03/91/85/399039185.db2.gz HZFDUKHFYLCKTR-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699836 399042589 /nfs/dbraw/zinc/04/25/89/399042589.db2.gz ONMUCQOOBPVRLF-UKRRQHHQSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600469278 399058094 /nfs/dbraw/zinc/05/80/94/399058094.db2.gz IWKKRHQMLGLVPX-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600473167 399058253 /nfs/dbraw/zinc/05/82/53/399058253.db2.gz SLVHCFXYMNHXGA-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1 ZINC000266035409 283932050 /nfs/dbraw/zinc/93/20/50/283932050.db2.gz FNBNCPKFYHZJQU-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000271778075 209206679 /nfs/dbraw/zinc/20/66/79/209206679.db2.gz OSGPVHBMNFRZJU-CQSZACIVSA-N 1 0 315.373 2.724 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](CC)C2CC2)c([N+](=O)[O-])c1 ZINC000595765592 399074823 /nfs/dbraw/zinc/07/48/23/399074823.db2.gz LNSNQMHWSQGBRZ-ZDUSSCGKSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H](CCCC[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418687172 296109702 /nfs/dbraw/zinc/10/97/02/296109702.db2.gz DBAYWHDMQVHTFV-LBPRGKRZSA-N 1 0 322.409 2.647 20 5 DFBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000595777842 399081408 /nfs/dbraw/zinc/08/14/08/399081408.db2.gz KOORNUOQAOLYOT-STQMWFEESA-N 1 0 322.409 2.507 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000294874133 284018270 /nfs/dbraw/zinc/01/82/70/284018270.db2.gz PNKMTSONDBPUBP-JTQLQIEISA-N 1 0 311.769 2.510 20 5 DFBDRO C[NH+]1CCC(C)(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000294875308 284018303 /nfs/dbraw/zinc/01/83/03/284018303.db2.gz FDZMGXHVGBNFTR-UHFFFAOYSA-N 1 0 303.366 2.615 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301544252 284028695 /nfs/dbraw/zinc/02/86/95/284028695.db2.gz OYKDFTVNNPTCJT-NSHDSACASA-N 1 0 311.357 2.521 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000595812796 399094185 /nfs/dbraw/zinc/09/41/85/399094185.db2.gz YXGSVCDOPOXERA-CHWSQXEVSA-N 1 0 303.362 2.574 20 5 DFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481196370 299392908 /nfs/dbraw/zinc/39/29/08/299392908.db2.gz XJXGHUGXDMBEIR-FRFSOERESA-N 1 0 322.405 2.893 20 5 DFBDRO CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225092 296128801 /nfs/dbraw/zinc/12/88/01/296128801.db2.gz OQIVYBVDJQSBFT-HIFRSBDPSA-N 1 0 322.409 2.537 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000079948252 399099895 /nfs/dbraw/zinc/09/98/95/399099895.db2.gz MHOXNUADAZHUEB-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO Cc1cc(=O)[nH]c([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338347953 284103036 /nfs/dbraw/zinc/10/30/36/284103036.db2.gz GABCYSPASUPQSV-GFCCVEGCSA-N 1 0 316.361 2.634 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419314734 296134001 /nfs/dbraw/zinc/13/40/01/296134001.db2.gz IQFGNIMOXNQRKN-CHWSQXEVSA-N 1 0 305.378 2.608 20 5 DFBDRO Cc1ccc(CC(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000419310742 296134187 /nfs/dbraw/zinc/13/41/87/296134187.db2.gz AWIOPONNHMKFMX-UHFFFAOYSA-N 1 0 302.378 2.711 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830190 399102948 /nfs/dbraw/zinc/10/29/48/399102948.db2.gz DLOKRRJMBBRUQG-KBPBESRZSA-N 1 0 317.389 2.600 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261795335 203117922 /nfs/dbraw/zinc/11/79/22/203117922.db2.gz QNDWERRPPXOSNO-YUELXQCFSA-N 1 0 305.378 2.537 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419368119 296136789 /nfs/dbraw/zinc/13/67/89/296136789.db2.gz FLICKRMSKKTABR-RWMBFGLXSA-N 1 0 305.378 2.818 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419374003 296137764 /nfs/dbraw/zinc/13/77/64/296137764.db2.gz JXOWGGQECSXIME-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850624 399112026 /nfs/dbraw/zinc/11/20/26/399112026.db2.gz MLEFZTMPJIXHQC-UKRRQHHQSA-N 1 0 319.405 2.892 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595889281 399123716 /nfs/dbraw/zinc/12/37/16/399123716.db2.gz UBKBCLSKJYCZNE-UHFFFAOYSA-N 1 0 321.402 2.528 20 5 DFBDRO CCC(CC)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000093608174 193273339 /nfs/dbraw/zinc/27/33/39/193273339.db2.gz WIXWPMKDBRBBMZ-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000262790354 203404730 /nfs/dbraw/zinc/40/47/30/203404730.db2.gz DBCNMDFQSSJNGM-MWLCHTKSSA-N 1 0 319.386 2.680 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC(C)(C)C[NH+](C)C ZINC000093906980 193327059 /nfs/dbraw/zinc/32/70/59/193327059.db2.gz DNLAIUDLADCCSJ-UHFFFAOYSA-N 1 0 321.421 2.838 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595898174 399128239 /nfs/dbraw/zinc/12/82/39/399128239.db2.gz FRZSGBYFIUFHKK-KKYDWHDCSA-N 1 0 318.373 2.833 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1-c1ccccc1 ZINC000179504473 399129966 /nfs/dbraw/zinc/12/99/66/399129966.db2.gz NZHMLEQFPJQYHA-OAHLLOKOSA-N 1 0 324.384 2.941 20 5 DFBDRO CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000340526239 284189597 /nfs/dbraw/zinc/18/95/97/284189597.db2.gz OWRCKVPBTVZFCI-JSGCOSHPSA-N 1 0 303.366 2.624 20 5 DFBDRO [NH3+][C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420111600 296158797 /nfs/dbraw/zinc/15/87/97/296158797.db2.gz GPDJALKVITUQEA-NSHDSACASA-N 1 0 304.375 2.646 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC2CC1(C)C2 ZINC000595914608 399133182 /nfs/dbraw/zinc/13/31/82/399133182.db2.gz DWRJDFNWPPVJPC-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000264073136 203705142 /nfs/dbraw/zinc/70/51/42/203705142.db2.gz LGVPYBYNJNZGDY-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420173710 296160377 /nfs/dbraw/zinc/16/03/77/296160377.db2.gz XPXKRTGGYMNZPP-RYUDHWBXSA-N 1 0 321.377 2.572 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000340945443 284222440 /nfs/dbraw/zinc/22/24/40/284222440.db2.gz GBNCFFBBMSFDLI-WCQYABFASA-N 1 0 304.350 2.546 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000420156253 296159762 /nfs/dbraw/zinc/15/97/62/296159762.db2.gz FILJACJAPJULTB-ZJUUUORDSA-N 1 0 315.320 2.996 20 5 DFBDRO C[NH2+][C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420162122 296159864 /nfs/dbraw/zinc/15/98/64/296159864.db2.gz KEYARXXMPPDEER-LLVKDONJSA-N 1 0 304.375 2.516 20 5 DFBDRO Cc1ccc(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000080344096 399139960 /nfs/dbraw/zinc/13/99/60/399139960.db2.gz WFHDRQHJRQGZAY-QFIPXVFZSA-N 1 0 318.398 2.930 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000595925196 399138302 /nfs/dbraw/zinc/13/83/02/399138302.db2.gz XGLBXNLDWYWQRZ-UHFFFAOYSA-N 1 0 317.370 2.863 20 5 DFBDRO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H]1C[NH3+] ZINC000420184539 296160983 /nfs/dbraw/zinc/16/09/83/296160983.db2.gz JOJLLRDEZXUASB-JOYOIKCWSA-N 1 0 315.320 2.760 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420189833 296161503 /nfs/dbraw/zinc/16/15/03/296161503.db2.gz FBRHVCDAXJPFPF-RISCZKNCSA-N 1 0 321.377 2.701 20 5 DFBDRO CN(CC(C)(C)C[NH3+])c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420209506 296162533 /nfs/dbraw/zinc/16/25/33/296162533.db2.gz SXKUFUDIUJJIAU-UHFFFAOYSA-N 1 0 303.309 2.617 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)c1 ZINC000600782121 399144359 /nfs/dbraw/zinc/14/43/59/399144359.db2.gz KBMNCNFZLBOTTF-CQSZACIVSA-N 1 0 312.369 2.906 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420238225 296164635 /nfs/dbraw/zinc/16/46/35/296164635.db2.gz HDFFWMOQBFIBMV-GFCCVEGCSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420243916 296165068 /nfs/dbraw/zinc/16/50/68/296165068.db2.gz XYNOKIUJXQIFTD-CMPLNLGQSA-N 1 0 318.402 2.892 20 5 DFBDRO C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C[NH3+])C1 ZINC000420253232 296165798 /nfs/dbraw/zinc/16/57/98/296165798.db2.gz AKMPYZQYRNSPGN-FZMZJTMJSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000596014861 399147725 /nfs/dbraw/zinc/14/77/25/399147725.db2.gz UVOOJHFXHUDCPI-GFCCVEGCSA-N 1 0 324.812 2.859 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000596015174 399148181 /nfs/dbraw/zinc/14/81/81/399148181.db2.gz ZPDRBVGLZSQMFF-NEPJUHHUSA-N 1 0 324.812 2.859 20 5 DFBDRO CC(C)NC(=O)c1ccc(N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420254322 296166097 /nfs/dbraw/zinc/16/60/97/296166097.db2.gz CWMAQXUGZILSFH-LBPRGKRZSA-N 1 0 322.409 2.662 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264592033 204015080 /nfs/dbraw/zinc/01/50/80/204015080.db2.gz LRNQELUYNMLJAE-HNNXBMFYSA-N 1 0 318.377 2.687 20 5 DFBDRO Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000600788584 399146482 /nfs/dbraw/zinc/14/64/82/399146482.db2.gz DYUQKLCZMUAAEB-GFCCVEGCSA-N 1 0 318.348 2.819 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1-c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000600789195 399146494 /nfs/dbraw/zinc/14/64/94/399146494.db2.gz JHZWJUQYBIHIJD-UHFFFAOYSA-N 1 0 315.348 2.806 20 5 DFBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@@H]3CC[NH2+]C3)c2)c1 ZINC000600791750 399149500 /nfs/dbraw/zinc/14/95/00/399149500.db2.gz GQRZHHDAZNLIHY-MRXNPFEDSA-N 1 0 312.369 2.874 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC12CC(C1)C[NH2+]2 ZINC000596027682 399150923 /nfs/dbraw/zinc/15/09/23/399150923.db2.gz SHYUTXKBBTWKBS-UHFFFAOYSA-N 1 0 301.268 2.778 20 5 DFBDRO CCOc1cccc(N2CCC3(CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000420265498 296167118 /nfs/dbraw/zinc/16/71/18/296167118.db2.gz VXEFHUJFUFWZQM-UHFFFAOYSA-N 1 0 305.378 2.573 20 5 DFBDRO CC(C)NC(=O)c1ccc(NCC[C@@H]([NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC000596029934 399152024 /nfs/dbraw/zinc/15/20/24/399152024.db2.gz FGMDJTWKSQLXJG-CYBMUJFWSA-N 1 0 322.409 2.518 20 5 DFBDRO CCOc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000420266918 296167495 /nfs/dbraw/zinc/16/74/95/296167495.db2.gz WFFOTEWPNNPIBM-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO C[N@@H+]1CCCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000596056517 399157449 /nfs/dbraw/zinc/15/74/49/399157449.db2.gz XNMBVNYRLKVVIK-UHFFFAOYSA-N 1 0 303.284 2.756 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420293396 296170316 /nfs/dbraw/zinc/17/03/16/296170316.db2.gz XUAPXBWBDGIQMC-RKDXNWHRSA-N 1 0 318.299 2.938 20 5 DFBDRO Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618565235 399160855 /nfs/dbraw/zinc/16/08/55/399160855.db2.gz MAJVYRYWGCVRHF-OLZOCXBDSA-N 1 0 321.406 2.830 20 5 DFBDRO Cc1occc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000618567100 399161488 /nfs/dbraw/zinc/16/14/88/399161488.db2.gz UEOSBGFIZQCXSP-UONOGXRCSA-N 1 0 304.350 2.966 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1OCc1cccc2c1CC[NH2+]C2 ZINC000596068901 399162542 /nfs/dbraw/zinc/16/25/42/399162542.db2.gz AGPPRLZAXWHOOV-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(OCc2cccc3c2CC[NH2+]C3)n1 ZINC000596071890 399163276 /nfs/dbraw/zinc/16/32/76/399163276.db2.gz VHBNAJSCDIHETA-UHFFFAOYSA-N 1 0 313.357 2.831 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596076027 399164837 /nfs/dbraw/zinc/16/48/37/399164837.db2.gz ASDUYTWOGXPJCY-BETUJISGSA-N 1 0 322.409 2.865 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000080652855 399167210 /nfs/dbraw/zinc/16/72/10/399167210.db2.gz ZSPBGFUYVBJYKT-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420343902 296177750 /nfs/dbraw/zinc/17/77/50/296177750.db2.gz SAKBNLQQNFSPTI-CZUORRHYSA-N 1 0 321.421 2.941 20 5 DFBDRO COc1cc(C)nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000282503613 217044700 /nfs/dbraw/zinc/04/47/00/217044700.db2.gz REHNMPJOZSSKPC-UHFFFAOYSA-N 1 0 315.373 2.981 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@](C)(O)c1ccccc1 ZINC000282500309 217042768 /nfs/dbraw/zinc/04/27/68/217042768.db2.gz QUFJMGZAJFJQHJ-GOSISDBHSA-N 1 0 314.385 2.977 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNCC34CC(C3)C[NH2+]4)o2)cc1 ZINC000596103456 399174149 /nfs/dbraw/zinc/17/41/49/399174149.db2.gz LCNPQVNLOPDGTI-UHFFFAOYSA-N 1 0 313.357 2.696 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@@H]3CCO)nc2c1 ZINC000342049968 284316120 /nfs/dbraw/zinc/31/61/20/284316120.db2.gz QKEGNQNXQQPTGB-GFCCVEGCSA-N 1 0 318.377 2.598 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747748 399175329 /nfs/dbraw/zinc/17/53/29/399175329.db2.gz AVMFLNOLOOQNBI-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000420379961 296183692 /nfs/dbraw/zinc/18/36/92/296183692.db2.gz BWSDRAOGHLOMIC-CHWSQXEVSA-N 1 0 307.394 2.564 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420402724 296186559 /nfs/dbraw/zinc/18/65/59/296186559.db2.gz KJVZSLZVCJWPLV-KRWDZBQOSA-N 1 0 315.348 2.880 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000342472169 284339263 /nfs/dbraw/zinc/33/92/63/284339263.db2.gz JXONMERNDTUCHQ-VHSXEESVSA-N 1 0 321.406 2.518 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C ZINC000342472163 284339421 /nfs/dbraw/zinc/33/94/21/284339421.db2.gz JXONMERNDTUCHQ-NXEZZACHSA-N 1 0 321.406 2.518 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000600950593 399184210 /nfs/dbraw/zinc/18/42/10/399184210.db2.gz MGVIVWDGOYZDGY-HNNXBMFYSA-N 1 0 300.362 2.577 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000596134766 399184874 /nfs/dbraw/zinc/18/48/74/399184874.db2.gz MSYFZKULTSHRDC-NSHDSACASA-N 1 0 310.785 2.565 20 5 DFBDRO [NH3+]C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600952024 399185415 /nfs/dbraw/zinc/18/54/15/399185415.db2.gz QJJDTCQVLHAYRG-UWVGGRQHSA-N 1 0 303.284 2.558 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000600960304 399188588 /nfs/dbraw/zinc/18/85/88/399188588.db2.gz CMHACYRDAPNZGC-RKDXNWHRSA-N 1 0 303.284 2.645 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000266131596 205123750 /nfs/dbraw/zinc/12/37/50/205123750.db2.gz KLCJIJSWVFNGKE-LLVKDONJSA-N 1 0 311.407 2.603 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000600958194 399187333 /nfs/dbraw/zinc/18/73/33/399187333.db2.gz BGFQTSBPXDWWRN-LBPRGKRZSA-N 1 0 300.362 2.851 20 5 DFBDRO O=[N+]([O-])c1cnc(NCc2cccc3c2CC[NH2+]C3)c(Cl)c1 ZINC000600959209 399187428 /nfs/dbraw/zinc/18/74/28/399187428.db2.gz TWFXWVMBTAYLFY-UHFFFAOYSA-N 1 0 318.764 2.901 20 5 DFBDRO C[C@@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600967146 399190375 /nfs/dbraw/zinc/19/03/75/399190375.db2.gz YTGDVBGHINBQFT-BDAKNGLRSA-N 1 0 312.757 2.510 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000198374849 399194608 /nfs/dbraw/zinc/19/46/08/399194608.db2.gz DFEFAPMGSSNTTO-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000420628033 296193792 /nfs/dbraw/zinc/19/37/92/296193792.db2.gz AFDBDZVPAMIDKN-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601003789 399200206 /nfs/dbraw/zinc/20/02/06/399200206.db2.gz SEFTWIRCZLRMKD-BYCMXARLSA-N 1 0 305.378 2.502 20 5 DFBDRO O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCC1 ZINC000209251204 399203233 /nfs/dbraw/zinc/20/32/33/399203233.db2.gz OQCZVYKNEMROQP-HJWRWDBZSA-N 1 0 317.389 2.600 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420640867 296195188 /nfs/dbraw/zinc/19/51/88/296195188.db2.gz TUUPNSLXDNIGBM-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CSC2(C)C)c([N+](=O)[O-])cc1OC ZINC000282919472 217323916 /nfs/dbraw/zinc/32/39/16/217323916.db2.gz VUZHGEMQQUHQHT-ZDUSSCGKSA-N 1 0 312.391 2.596 20 5 DFBDRO CC(C)[N@H+](CCCN1CCCC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000064349998 399220638 /nfs/dbraw/zinc/22/06/38/399220638.db2.gz KYBXVABSKKLVDA-UHFFFAOYSA-N 1 0 319.405 2.818 20 5 DFBDRO CC(C)[NH+](CCCNc1cccc(C(N)=O)c1[N+](=O)[O-])C(C)C ZINC000342789006 284412863 /nfs/dbraw/zinc/41/28/63/284412863.db2.gz OOWXRSCROSMXCM-UHFFFAOYSA-N 1 0 322.409 2.615 20 5 DFBDRO C[NH+](C)CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000020024192 182180310 /nfs/dbraw/zinc/18/03/10/182180310.db2.gz WJSOTEDDIGUAHS-UHFFFAOYSA-N 1 0 302.172 2.721 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@]1([NH+](C)C)CCSC1 ZINC000288569140 220245988 /nfs/dbraw/zinc/24/59/88/220245988.db2.gz WSUGCWGXEHNYIA-OAHLLOKOSA-N 1 0 323.418 2.647 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601102798 399227732 /nfs/dbraw/zinc/22/77/32/399227732.db2.gz FKCPNZVUBVBPHV-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH+](C)C1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601104310 399228215 /nfs/dbraw/zinc/22/82/15/399228215.db2.gz SFZVQWHBLGSELL-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO Cn1ccnc1[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601134850 399237535 /nfs/dbraw/zinc/23/75/35/399237535.db2.gz IQQPGRNKCJOBTP-GFCCVEGCSA-N 1 0 323.356 2.870 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)o2)c1 ZINC000601139772 399239353 /nfs/dbraw/zinc/23/93/53/399239353.db2.gz JYMXDGCCRRBPAC-BJHJDKERSA-N 1 0 302.330 2.715 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](CO)C3)o2)cc1 ZINC000601139565 399239530 /nfs/dbraw/zinc/23/95/30/399239530.db2.gz FVYXAKZCMHGDTL-BJHJDKERSA-N 1 0 302.330 2.715 20 5 DFBDRO COc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150481 399241493 /nfs/dbraw/zinc/24/14/93/399241493.db2.gz YAUFYNSBMMVHEK-KRWDZBQOSA-N 1 0 316.357 2.601 20 5 DFBDRO CC[N@H+](CCNc1ncc(F)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000601155274 399243215 /nfs/dbraw/zinc/24/32/15/399243215.db2.gz FUIHAKPWEFHMRZ-UHFFFAOYSA-N 1 0 324.278 2.815 20 5 DFBDRO CCOc1cc(N2CCC[N@H+](C)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000601189232 399251325 /nfs/dbraw/zinc/25/13/25/399251325.db2.gz PDIBRIXWKZGAET-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1c(NC(=O)NC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000421041379 296230367 /nfs/dbraw/zinc/23/03/67/296230367.db2.gz NUIQGTJWEPFBEQ-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@H]31)OCCO2 ZINC000614662865 399257297 /nfs/dbraw/zinc/25/72/97/399257297.db2.gz FOUZXXOMYPGINS-WCQYABFASA-N 1 0 304.346 2.740 20 5 DFBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000601227445 399259123 /nfs/dbraw/zinc/25/91/23/399259123.db2.gz OEBLETCGJFDBGT-UHFFFAOYSA-N 1 0 306.366 2.543 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000601228945 399259907 /nfs/dbraw/zinc/25/99/07/399259907.db2.gz AHVDGXUJLVPHMC-UHFFFAOYSA-N 1 0 310.373 2.627 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267850119 206303452 /nfs/dbraw/zinc/30/34/52/206303452.db2.gz WKHPMWJDZLRIQJ-VXGBXAGGSA-N 1 0 321.377 2.520 20 5 DFBDRO Cc1ccnc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267908982 206331030 /nfs/dbraw/zinc/33/10/30/206331030.db2.gz FIWDCGYBVCIJCJ-OKILXGFUSA-N 1 0 322.409 2.600 20 5 DFBDRO CS[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000614822457 399272493 /nfs/dbraw/zinc/27/24/93/399272493.db2.gz NQGCAJLMHGIZIZ-RYUDHWBXSA-N 1 0 313.448 2.672 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](O)C(F)F)CCC2 ZINC000601299364 399272633 /nfs/dbraw/zinc/27/26/33/399272633.db2.gz PUIDMUSGSJICRS-QWHCGFSZSA-N 1 0 300.305 2.578 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000601302998 399273594 /nfs/dbraw/zinc/27/35/94/399273594.db2.gz AFLUPVGCRISKGJ-UONOGXRCSA-N 1 0 304.350 2.966 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268132710 206480073 /nfs/dbraw/zinc/48/00/73/206480073.db2.gz GCWHIKDOEJUNGH-CYBMUJFWSA-N 1 0 323.368 2.680 20 5 DFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000421374385 296250082 /nfs/dbraw/zinc/25/00/82/296250082.db2.gz FRGAVFPRHKHQQQ-QWHCGFSZSA-N 1 0 324.377 2.659 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491992999 299487080 /nfs/dbraw/zinc/48/70/80/299487080.db2.gz SIQDLDJRVLYAQG-MDZDMXLPSA-N 1 0 319.405 2.798 20 5 DFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000421538606 296264137 /nfs/dbraw/zinc/26/41/37/296264137.db2.gz HAAINIJZBFRPJH-OKILXGFUSA-N 1 0 319.405 2.766 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000615034273 399293312 /nfs/dbraw/zinc/29/33/12/399293312.db2.gz WJSYLXMJEQKGKE-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO CCCNC(=O)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042686549 183296364 /nfs/dbraw/zinc/29/63/64/183296364.db2.gz KDGAXLXRPGSTKK-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)c1 ZINC000043976850 183391241 /nfs/dbraw/zinc/39/12/41/183391241.db2.gz WGBUMHFYKCVILV-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C2CCC1CC2 ZINC000609770810 399331388 /nfs/dbraw/zinc/33/13/88/399331388.db2.gz FMLBWJAXVSSKFZ-UHFFFAOYSA-N 1 0 317.345 2.520 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000421903110 296280031 /nfs/dbraw/zinc/28/00/31/296280031.db2.gz WFUVHICFUREPKP-AWEZNQCLSA-N 1 0 319.405 2.673 20 5 DFBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080182 399341869 /nfs/dbraw/zinc/34/18/69/399341869.db2.gz QXNXDSAKSLJWLN-ZBFHGGJFSA-N 1 0 322.405 2.989 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)C)CC1 ZINC000104667312 194022280 /nfs/dbraw/zinc/02/22/80/194022280.db2.gz ZXEGAVYEUFVFHV-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO COC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284573945 218084730 /nfs/dbraw/zinc/08/47/30/218084730.db2.gz OPYIJOGZZWFKBD-DOMZBBRYSA-N 1 0 308.378 2.782 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000615526044 399347522 /nfs/dbraw/zinc/34/75/22/399347522.db2.gz PNHRWJHZCPKOOY-UHFFFAOYSA-N 1 0 300.362 2.706 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1[N+](=O)[O-] ZINC000610340808 399358455 /nfs/dbraw/zinc/35/84/55/399358455.db2.gz FQALSYYOALRIIH-LBPRGKRZSA-N 1 0 300.362 2.907 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CCC[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000610368635 399361336 /nfs/dbraw/zinc/36/13/36/399361336.db2.gz JKYFPLYBCOVKCY-CQSZACIVSA-N 1 0 306.362 2.857 20 5 DFBDRO CCc1ccc(C(=O)NCC23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000619574161 399364385 /nfs/dbraw/zinc/36/43/85/399364385.db2.gz WHWFMPQYEDJPJV-UHFFFAOYSA-N 1 0 317.389 2.515 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014340 218256113 /nfs/dbraw/zinc/25/61/13/218256113.db2.gz HFTAXNRMQYMSRV-NSHDSACASA-N 1 0 301.346 2.776 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601976501 399372923 /nfs/dbraw/zinc/37/29/23/399372923.db2.gz RBNZTFXQLHGMNM-CQSZACIVSA-N 1 0 319.405 2.665 20 5 DFBDRO CCn1cnnc1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105929587 194173094 /nfs/dbraw/zinc/17/30/94/194173094.db2.gz GHZLODVWESDNFS-UHFFFAOYSA-N 1 0 315.377 2.586 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000610539410 399378302 /nfs/dbraw/zinc/37/83/02/399378302.db2.gz ODHCYDFVVRRTNM-MKBNYLNASA-N 1 0 305.378 2.502 20 5 DFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000285065253 218276602 /nfs/dbraw/zinc/27/66/02/218276602.db2.gz LTPRNOMFKHTTMN-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000285233290 218343357 /nfs/dbraw/zinc/34/33/57/218343357.db2.gz GDIJLLSYLNIECS-CQSZACIVSA-N 1 0 318.373 2.555 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615837146 399387898 /nfs/dbraw/zinc/38/78/98/399387898.db2.gz OJWOFVRVUFMSIG-JVHOSPSUSA-N 1 0 303.406 2.928 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619782591 399391364 /nfs/dbraw/zinc/39/13/64/399391364.db2.gz FJNDWCCZKBUOJC-SMDDNHRTSA-N 1 0 322.386 2.747 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000610678139 399391838 /nfs/dbraw/zinc/39/18/38/399391838.db2.gz DKKNXIKLHBGQBK-ONGXEEELSA-N 1 0 315.320 2.948 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109926461 194298616 /nfs/dbraw/zinc/29/86/16/194298616.db2.gz GGGBCPRYHVELEL-UHFFFAOYSA-N 1 0 323.418 2.793 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602083194 399393098 /nfs/dbraw/zinc/39/30/98/399393098.db2.gz KQJVZXFQBNOCRW-OAHLLOKOSA-N 1 0 319.405 2.674 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCN2CCSCC2)cccc1[N+](=O)[O-] ZINC000268843486 207009795 /nfs/dbraw/zinc/00/97/95/207009795.db2.gz ATPPQNJBFQIOBM-CYBMUJFWSA-N 1 0 309.435 2.603 20 5 DFBDRO Cc1cc(N2CC[NH+](C3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000268863023 207032524 /nfs/dbraw/zinc/03/25/24/207032524.db2.gz RVBHAJIFAFGXQI-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000610762494 399403450 /nfs/dbraw/zinc/40/34/50/399403450.db2.gz PKYFNVQIKUKKRH-AWEZNQCLSA-N 1 0 312.373 2.873 20 5 DFBDRO CC(C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000615943515 399403339 /nfs/dbraw/zinc/40/33/39/399403339.db2.gz UKAWCWHMXIDWQE-HNNXBMFYSA-N 1 0 302.378 2.858 20 5 DFBDRO CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCC[NH2+]1 ZINC000422711953 296320230 /nfs/dbraw/zinc/32/02/30/296320230.db2.gz HWSRBIPMQMKJTI-LSDHHAIUSA-N 1 0 307.394 2.614 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000610828070 399410877 /nfs/dbraw/zinc/41/08/77/399410877.db2.gz JGMUOGXZNAYFIT-RBOXIYTFSA-N 1 0 319.405 2.811 20 5 DFBDRO CCC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000610930358 399419102 /nfs/dbraw/zinc/41/91/02/399419102.db2.gz ZEQFYMYXKVUWRP-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000602301696 399420835 /nfs/dbraw/zinc/42/08/35/399420835.db2.gz HWWCSCPNWYYUAK-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO COC(=O)COc1ccc(C[N@H+](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000616129713 399424385 /nfs/dbraw/zinc/42/43/85/399424385.db2.gz YGDZUOOLXMIKTC-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccccc1[N+](=O)[O-] ZINC000060634825 184153451 /nfs/dbraw/zinc/15/34/51/184153451.db2.gz KSIDFSUYMNQLEE-UHFFFAOYSA-N 1 0 305.378 2.591 20 5 DFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000061605206 184177352 /nfs/dbraw/zinc/17/73/52/184177352.db2.gz JGNQIMPHOWLIJU-UHFFFAOYSA-N 1 0 323.780 2.559 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611180027 399442987 /nfs/dbraw/zinc/44/29/87/399442987.db2.gz PZBVKBDIBDVMBN-SNVBAGLBSA-N 1 0 313.304 2.510 20 5 DFBDRO CCCC(=O)NC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611261158 399453595 /nfs/dbraw/zinc/45/35/95/399453595.db2.gz CDTLSWWDWDKXBO-UHFFFAOYSA-N 1 0 319.405 2.784 20 5 DFBDRO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602465617 399451560 /nfs/dbraw/zinc/45/15/60/399451560.db2.gz SQVBKFOUZLGCHF-ZDUSSCGKSA-N 1 0 300.362 2.626 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000611255960 399452687 /nfs/dbraw/zinc/45/26/87/399452687.db2.gz LISFYLFPNRSSJX-NSHDSACASA-N 1 0 311.357 2.709 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](CCO)C1 ZINC000602472938 399454342 /nfs/dbraw/zinc/45/43/42/399454342.db2.gz SGXGOXAWKAMSKE-JTQLQIEISA-N 1 0 318.295 2.818 20 5 DFBDRO CCCC[N@H+](CCOC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611271334 399454660 /nfs/dbraw/zinc/45/46/60/399454660.db2.gz RZFPIKGUHLBFDT-UHFFFAOYSA-N 1 0 324.377 2.615 20 5 DFBDRO Cc1nc(C)c([C@@H](C)N(C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602475675 399455358 /nfs/dbraw/zinc/45/53/58/399455358.db2.gz QLLLZCLUOUMCGW-SECBINFHSA-N 1 0 309.395 2.595 20 5 DFBDRO C[C@H](CCCC[NH3+])NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602489596 399460553 /nfs/dbraw/zinc/46/05/53/399460553.db2.gz AOIQHWKJRCYFCY-CYBMUJFWSA-N 1 0 319.405 2.650 20 5 DFBDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)ncn1 ZINC000611337232 399463023 /nfs/dbraw/zinc/46/30/23/399463023.db2.gz BJMXMFUMQBAHQB-MRXNPFEDSA-N 1 0 312.373 2.804 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524124 399467734 /nfs/dbraw/zinc/46/77/34/399467734.db2.gz BLKWGEFGJNHDDH-LBPRGKRZSA-N 1 0 318.377 2.558 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000602531554 399469272 /nfs/dbraw/zinc/46/92/72/399469272.db2.gz URBMQAOPSRFZOT-KGLIPLIRSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000602531553 399469511 /nfs/dbraw/zinc/46/95/11/399469511.db2.gz URBMQAOPSRFZOT-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO Cn1cc(CCC[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000611402734 399470737 /nfs/dbraw/zinc/47/07/37/399470737.db2.gz YKXBKPYEAUFTJR-UHFFFAOYSA-N 1 0 302.378 2.786 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000602545127 399472602 /nfs/dbraw/zinc/47/26/02/399472602.db2.gz SZJOVKQNUUYLMT-QWHCGFSZSA-N 1 0 323.418 2.577 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CCSCC3)nc2c1 ZINC000602544685 399471451 /nfs/dbraw/zinc/47/14/51/399471451.db2.gz JZLKILCGSAZZOR-UHFFFAOYSA-N 1 0 307.375 2.969 20 5 DFBDRO CC[C@@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602551874 399473852 /nfs/dbraw/zinc/47/38/52/399473852.db2.gz KPODZAGBASHHSS-NSHDSACASA-N 1 0 306.284 2.864 20 5 DFBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1[NH3+] ZINC000269223631 207343593 /nfs/dbraw/zinc/34/35/93/207343593.db2.gz SNUPJLSKIHQQBC-JOYOIKCWSA-N 1 0 319.386 2.619 20 5 DFBDRO COC(=O)c1csc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000602557325 399474678 /nfs/dbraw/zinc/47/46/78/399474678.db2.gz JLOFYGPHFFBGCS-UHFFFAOYSA-N 1 0 320.370 2.775 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000611442813 399477049 /nfs/dbraw/zinc/47/70/49/399477049.db2.gz FRNUUMAFWBSGCC-VIFPVBQESA-N 1 0 310.304 2.729 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611462797 399478668 /nfs/dbraw/zinc/47/86/68/399478668.db2.gz ZXCNTEUCSOEZIZ-MRXNPFEDSA-N 1 0 319.361 2.863 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000611464414 399478765 /nfs/dbraw/zinc/47/87/65/399478765.db2.gz QVJLTKYAVLTMRA-JTQLQIEISA-N 1 0 316.304 2.889 20 5 DFBDRO CC(C)C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602564972 399477586 /nfs/dbraw/zinc/47/75/86/399477586.db2.gz XGJVEGBQTKQKAT-UHFFFAOYSA-N 1 0 318.421 2.984 20 5 DFBDRO CC(C)O[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000602568262 399478885 /nfs/dbraw/zinc/47/88/85/399478885.db2.gz IMLOOPXVKULENT-MRXNPFEDSA-N 1 0 318.377 2.547 20 5 DFBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602580740 399481715 /nfs/dbraw/zinc/48/17/15/399481715.db2.gz ZQWNVXJTSRWELX-ZCFIWIBFSA-N 1 0 323.212 2.668 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)Cc1ccccc1 ZINC000602583569 399482932 /nfs/dbraw/zinc/48/29/32/399482932.db2.gz RKMSJGRTWAMSHW-RDTXWAMCSA-N 1 0 314.385 2.719 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC[C@@H]([NH3+])C2)c1 ZINC000602577026 399480967 /nfs/dbraw/zinc/48/09/67/399480967.db2.gz FMWZOKIXVXWPSM-LLVKDONJSA-N 1 0 323.418 2.660 20 5 DFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000602577016 399481002 /nfs/dbraw/zinc/48/10/02/399481002.db2.gz FJBKCCJMMHOMKZ-NSHDSACASA-N 1 0 311.769 2.592 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)c1ccccc1[N+](=O)[O-] ZINC000602583783 399483200 /nfs/dbraw/zinc/48/32/00/399483200.db2.gz UROGBBOCDQDHMO-NEPJUHHUSA-N 1 0 303.366 2.661 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000611515536 399485947 /nfs/dbraw/zinc/48/59/47/399485947.db2.gz CWQVYUOGDKTJFA-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO CC(C)Cn1ccnc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602593966 399486358 /nfs/dbraw/zinc/48/63/58/399486358.db2.gz MROKVFUSVWFWTH-UHFFFAOYSA-N 1 0 302.378 2.780 20 5 DFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602622028 399493521 /nfs/dbraw/zinc/49/35/21/399493521.db2.gz JDXDMPKAJHSLRR-VXGBXAGGSA-N 1 0 318.295 2.863 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602641419 399499881 /nfs/dbraw/zinc/49/98/81/399499881.db2.gz AYCOKPOKJGWVDZ-MRXNPFEDSA-N 1 0 318.352 2.631 20 5 DFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602650550 399502226 /nfs/dbraw/zinc/50/22/26/399502226.db2.gz YACNHVHNSNLYLQ-ZIAGYGMSSA-N 1 0 318.421 2.984 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602652009 399502901 /nfs/dbraw/zinc/50/29/01/399502901.db2.gz CIFBTWXCVGLPQP-ZDUSSCGKSA-N 1 0 318.377 2.700 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347017326 285005172 /nfs/dbraw/zinc/00/51/72/285005172.db2.gz DJYPIHWGYADTBM-CHWSQXEVSA-N 1 0 307.394 2.553 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCSC[C@H]1CCO ZINC000347365777 285017554 /nfs/dbraw/zinc/01/75/54/285017554.db2.gz UMTMNHOHQBPVIW-RCBBPTIPSA-N 1 0 322.430 2.798 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000161973088 197534394 /nfs/dbraw/zinc/53/43/94/197534394.db2.gz IRRLAULNKXUNEC-GFCCVEGCSA-N 1 0 313.785 2.694 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869825 296347733 /nfs/dbraw/zinc/34/77/33/296347733.db2.gz YDVCZGGWHFZZLT-UKRRQHHQSA-N 1 0 319.405 2.966 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000119686940 195016826 /nfs/dbraw/zinc/01/68/26/195016826.db2.gz UJLDEBWYDUBKGN-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602670977 399514041 /nfs/dbraw/zinc/51/40/41/399514041.db2.gz GNKKLJKMTIGKBB-UHFFFAOYSA-N 1 0 305.334 2.785 20 5 DFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000602673348 399514657 /nfs/dbraw/zinc/51/46/57/399514657.db2.gz SNYBSDGMNCGFAF-GFCCVEGCSA-N 1 0 314.336 2.592 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000602680661 399518498 /nfs/dbraw/zinc/51/84/98/399518498.db2.gz FQFYQLNCAIZYQI-CYBMUJFWSA-N 1 0 318.295 2.864 20 5 DFBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602680771 399517981 /nfs/dbraw/zinc/51/79/81/399517981.db2.gz KIEAVQFOSOPWOD-PSLIRLAXSA-N 1 0 305.334 2.639 20 5 DFBDRO CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000422948245 296359595 /nfs/dbraw/zinc/35/95/95/296359595.db2.gz ROIHLFRVMGSWQI-KBPBESRZSA-N 1 0 307.394 2.614 20 5 DFBDRO Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270046824 208100230 /nfs/dbraw/zinc/10/02/30/208100230.db2.gz TZGUBTKBAXUGFY-UKRRQHHQSA-N 1 0 314.389 2.829 20 5 DFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602695590 399524564 /nfs/dbraw/zinc/52/45/64/399524564.db2.gz AXLBXPFHRXYNJI-CMPLNLGQSA-N 1 0 305.334 2.783 20 5 DFBDRO CC(C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000120133706 195102310 /nfs/dbraw/zinc/10/23/10/195102310.db2.gz NCXNJBBUUSTEKU-PBHICJAKSA-N 1 0 321.421 2.602 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270061270 208116294 /nfs/dbraw/zinc/11/62/94/208116294.db2.gz FKBYEBZYRISSDX-CQSZACIVSA-N 1 0 319.405 2.772 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)C2CCOCC2)cc1 ZINC000602701261 399527820 /nfs/dbraw/zinc/52/78/20/399527820.db2.gz YGNRDSJVKVFJJJ-KRWDZBQOSA-N 1 0 304.390 2.932 20 5 DFBDRO CCCN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@H+](C)C1 ZINC000602699571 399527018 /nfs/dbraw/zinc/52/70/18/399527018.db2.gz IQBYNMHHZGYMEH-CYBMUJFWSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000120152924 195106326 /nfs/dbraw/zinc/10/63/26/195106326.db2.gz VEIHJBXNGKDENH-INIZCTEOSA-N 1 0 308.378 2.721 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602708111 399531170 /nfs/dbraw/zinc/53/11/70/399531170.db2.gz ZGYGVHDJMVDZFJ-LBPRGKRZSA-N 1 0 318.377 2.698 20 5 DFBDRO COc1cc(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)on1 ZINC000602713342 399533522 /nfs/dbraw/zinc/53/35/22/399533522.db2.gz LGGSNKXKBJUMFK-IZZDOVSWSA-N 1 0 303.318 2.785 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301804903 285093837 /nfs/dbraw/zinc/09/38/37/285093837.db2.gz VPAGMBFYHVNGJO-LLVKDONJSA-N 1 0 311.332 2.938 20 5 DFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000286263293 218879676 /nfs/dbraw/zinc/87/96/76/218879676.db2.gz FSHPVUNABZBSJI-HOTGVXAUSA-N 1 0 319.405 2.593 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000347628123 285101046 /nfs/dbraw/zinc/10/10/46/285101046.db2.gz HQGWYBPWWOTOAT-HIFRSBDPSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@](CO)([NH2+]CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000602731512 399545981 /nfs/dbraw/zinc/54/59/81/399545981.db2.gz LNELWIPBZNRJFF-QGZVFWFLSA-N 1 0 318.348 2.774 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000602730128 399544419 /nfs/dbraw/zinc/54/44/19/399544419.db2.gz XYPZUYLBDUTIFD-LRDDRELGSA-N 1 0 306.362 2.534 20 5 DFBDRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266577065 285102170 /nfs/dbraw/zinc/10/21/70/285102170.db2.gz GHUVNLLVTANVSS-UONOGXRCSA-N 1 0 308.378 2.641 20 5 DFBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@H](c1ccccc1)[NH+](C)C ZINC000294901064 533055934 /nfs/dbraw/zinc/05/59/34/533055934.db2.gz DTKMAWMPZQRUQH-CZUORRHYSA-N 1 0 321.421 2.630 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)cc1 ZINC000293648622 285112076 /nfs/dbraw/zinc/11/20/76/285112076.db2.gz MWBFYYZLBOOSDW-INIZCTEOSA-N 1 0 302.374 2.986 20 5 DFBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423082951 296376258 /nfs/dbraw/zinc/37/62/58/296376258.db2.gz FWYNJBLQHRNKDP-ONGXEEELSA-N 1 0 317.311 2.701 20 5 DFBDRO Cc1c(CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077013 296375627 /nfs/dbraw/zinc/37/56/27/296375627.db2.gz LBEJMFMOMQXFOR-RHSMWYFYSA-N 1 0 313.401 2.951 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000272950855 210337714 /nfs/dbraw/zinc/33/77/14/210337714.db2.gz UXXWRBGILOHSFX-CYBMUJFWSA-N 1 0 319.405 2.846 20 5 DFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000347681944 285128116 /nfs/dbraw/zinc/12/81/16/285128116.db2.gz LYPSGINWJHHVII-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000602763251 399561122 /nfs/dbraw/zinc/56/11/22/399561122.db2.gz PPGIQXKRNQYVPZ-UHFFFAOYSA-N 1 0 310.304 2.510 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccccc1)C1CC1 ZINC000602766518 399562846 /nfs/dbraw/zinc/56/28/46/399562846.db2.gz MJDIZPBJVBYRRM-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158569888 197284968 /nfs/dbraw/zinc/28/49/68/197284968.db2.gz RCLSKGXLMPHDPK-RYUDHWBXSA-N 1 0 323.418 2.564 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000120278710 195134421 /nfs/dbraw/zinc/13/44/21/195134421.db2.gz HHZOHPZIDKPBRG-DOMZBBRYSA-N 1 0 320.393 2.625 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000602778315 399568148 /nfs/dbraw/zinc/56/81/48/399568148.db2.gz XAFOSBBEYIIPDO-LBPRGKRZSA-N 1 0 300.362 2.719 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000120278388 195134792 /nfs/dbraw/zinc/13/47/92/195134792.db2.gz HHZOHPZIDKPBRG-IUODEOHRSA-N 1 0 320.393 2.625 20 5 DFBDRO CCOCCO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000157793534 197215913 /nfs/dbraw/zinc/21/59/13/197215913.db2.gz QEVGPXZSKSPYMX-CJNGLKHVSA-N 1 0 308.378 2.783 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOCC(F)F)C1CC1 ZINC000188766514 285161937 /nfs/dbraw/zinc/16/19/37/285161937.db2.gz RKZYPLGZDDWPDX-ZDUSSCGKSA-N 1 0 314.332 2.787 20 5 DFBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602784652 399572197 /nfs/dbraw/zinc/57/21/97/399572197.db2.gz VBEOLWKOOPCANF-ZDUSSCGKSA-N 1 0 304.350 2.838 20 5 DFBDRO C[C@H]1OCC[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602783259 399572310 /nfs/dbraw/zinc/57/23/10/399572310.db2.gz KDOOFALRVINOOG-ZIAGYGMSSA-N 1 0 320.389 2.863 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000602786034 399572930 /nfs/dbraw/zinc/57/29/30/399572930.db2.gz LHDSSKXFPPKXSD-INIZCTEOSA-N 1 0 304.394 2.922 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(C(F)F)CC2)n1 ZINC000359000630 285168927 /nfs/dbraw/zinc/16/89/27/285168927.db2.gz JSGOUYPGAXUYQB-MNOVXSKESA-N 1 0 314.336 2.910 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000602803223 399580938 /nfs/dbraw/zinc/58/09/38/399580938.db2.gz AAKQTINDOXXZLX-MRXNPFEDSA-N 1 0 300.362 2.841 20 5 DFBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156530867 197120557 /nfs/dbraw/zinc/12/05/57/197120557.db2.gz ZSGMZDGXOXYUKO-YOEHRIQHSA-N 1 0 314.389 2.917 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000271552531 209005617 /nfs/dbraw/zinc/00/56/17/209005617.db2.gz VYSOXTDIKHESJW-GXTWGEPZSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000602844583 399599332 /nfs/dbraw/zinc/59/93/32/399599332.db2.gz CONXKIMJFKPIBG-OLZOCXBDSA-N 1 0 324.425 2.672 20 5 DFBDRO Cc1cccc(C2([NH2+]Cc3cn(C)nc3[N+](=O)[O-])CCC2)c1 ZINC000602850855 399602001 /nfs/dbraw/zinc/60/20/01/399602001.db2.gz GVONNUSAMMKJMY-UHFFFAOYSA-N 1 0 300.362 2.806 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347878316 285221301 /nfs/dbraw/zinc/22/13/01/285221301.db2.gz PHEPAEBKNXVFCI-GJZGRUSLSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](n2ccnn2)C1 ZINC000602866730 399608938 /nfs/dbraw/zinc/60/89/38/399608938.db2.gz UFKWOKOKOGLRDD-GXTWGEPZSA-N 1 0 301.350 2.503 20 5 DFBDRO CCC[C@@H](NC[C@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437924 296416731 /nfs/dbraw/zinc/41/67/31/296416731.db2.gz UPACERXIWOKQBA-SJORKVTESA-N 1 0 321.421 2.794 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000423526935 296426347 /nfs/dbraw/zinc/42/63/47/296426347.db2.gz LXDRSCOODYFRKW-AAEUAGOBSA-N 1 0 305.378 2.528 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423609860 296433539 /nfs/dbraw/zinc/43/35/39/296433539.db2.gz LYIVSUKCZVMXDN-INIZCTEOSA-N 1 0 305.378 2.529 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000289715974 221174819 /nfs/dbraw/zinc/17/48/19/221174819.db2.gz PCIIBQWOHNCNFJ-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nccnc2C)cc1[N+](=O)[O-] ZINC000294872138 224278184 /nfs/dbraw/zinc/27/81/84/224278184.db2.gz CVDJIRUJDLLISV-GFCCVEGCSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000289857745 221273274 /nfs/dbraw/zinc/27/32/74/221273274.db2.gz QUQQXMZDGRZJLY-JTQLQIEISA-N 1 0 306.391 2.956 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997770 399654749 /nfs/dbraw/zinc/65/47/49/399654749.db2.gz QMPQIPJJCSCKMO-JYJNAYRXSA-N 1 0 320.389 2.729 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611559 399690092 /nfs/dbraw/zinc/69/00/92/399690092.db2.gz NOPIXSINMAZYQT-NSHDSACASA-N 1 0 324.356 2.728 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+]C2CCCC2)nn1 ZINC000603185595 399704983 /nfs/dbraw/zinc/70/49/83/399704983.db2.gz JXVWUKGOWKOPGM-LBPRGKRZSA-N 1 0 315.377 2.828 20 5 DFBDRO Cc1nc(N[C@@H](CC(C)C)C[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000294998422 224368666 /nfs/dbraw/zinc/36/86/66/224368666.db2.gz RDNPTKUFSFIBHA-ZDUSSCGKSA-N 1 0 307.398 2.616 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000295035300 224392856 /nfs/dbraw/zinc/39/28/56/224392856.db2.gz WDEVJZLTKGWUHS-NSHDSACASA-N 1 0 313.785 2.507 20 5 DFBDRO COc1ccc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423732743 296442420 /nfs/dbraw/zinc/44/24/20/296442420.db2.gz ZYKLPCVIVIISLB-LLVKDONJSA-N 1 0 321.377 2.568 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000603250631 399723060 /nfs/dbraw/zinc/72/30/60/399723060.db2.gz KTSBTHQUSISQJB-NHYWBVRUSA-N 1 0 303.366 2.760 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccncc1 ZINC000121585915 195310802 /nfs/dbraw/zinc/31/08/02/195310802.db2.gz DIJITBJTIGEXHR-UHFFFAOYSA-N 1 0 301.346 2.543 20 5 DFBDRO Cc1nn(CCC[NH+]2CCCCC2)c2ncc([N+](=O)[O-])cc12 ZINC000603327609 399744795 /nfs/dbraw/zinc/74/47/95/399744795.db2.gz OGVFLOOVYBEOKK-UHFFFAOYSA-N 1 0 303.366 2.524 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 ZINC000296812159 533505196 /nfs/dbraw/zinc/50/51/96/533505196.db2.gz UYZQGDDDDWZMNU-NWDGAFQWSA-N 1 0 305.378 2.693 20 5 DFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000424033454 296478071 /nfs/dbraw/zinc/47/80/71/296478071.db2.gz LOBQRJAUMDIBAC-ZDUSSCGKSA-N 1 0 323.418 2.507 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424112485 296486044 /nfs/dbraw/zinc/48/60/44/296486044.db2.gz JWFCAJHGADECSM-RISCZKNCSA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000603849961 399808668 /nfs/dbraw/zinc/80/86/68/399808668.db2.gz YUDSJHIOOAYCHE-ZDUSSCGKSA-N 1 0 312.373 2.849 20 5 DFBDRO CCCC(=O)NC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000603878107 399811426 /nfs/dbraw/zinc/81/14/26/399811426.db2.gz MJEBMSDDGDBYGA-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248834226 542938604 /nfs/dbraw/zinc/93/86/04/542938604.db2.gz GFTSXGXMUBQXQB-SUNKGSAMSA-N 1 0 305.378 2.608 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000261642361 542952598 /nfs/dbraw/zinc/95/25/98/542952598.db2.gz FAVGRUDBRZFHJQ-KWCYVHTRSA-N 1 0 312.373 2.707 20 5 DFBDRO CC[N@H+]1C[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000613301995 399844525 /nfs/dbraw/zinc/84/45/25/399844525.db2.gz PVCGADYUSBMBNO-JSGCOSHPSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)o1 ZINC000604554221 399855747 /nfs/dbraw/zinc/85/57/47/399855747.db2.gz NZBZCFLLZXIPBG-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000349248120 285816117 /nfs/dbraw/zinc/81/61/17/285816117.db2.gz QBTIHNFZNCVQLQ-GFCCVEGCSA-N 1 0 310.419 2.970 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c(Br)c1 ZINC000166854208 145237222 /nfs/dbraw/zinc/23/72/22/145237222.db2.gz VENNNJXIBZEZPL-SECBINFHSA-N 1 0 314.183 2.911 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[N@@H+](C2CC2)CC1 ZINC000171831461 145281109 /nfs/dbraw/zinc/28/11/09/145281109.db2.gz BVGAXYVAUNRAKT-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000414007945 543323757 /nfs/dbraw/zinc/32/37/57/543323757.db2.gz UHUSGCNETZVMFV-ZDUSSCGKSA-N 1 0 319.405 2.716 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174189253 145370765 /nfs/dbraw/zinc/37/07/65/145370765.db2.gz QZNZAIXECNWOFZ-OLZOCXBDSA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1sc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175798313 145420306 /nfs/dbraw/zinc/42/03/06/145420306.db2.gz DFARRLWBEABSGT-SNVBAGLBSA-N 1 0 313.423 2.671 20 5 DFBDRO Cc1cc(NCCCC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235772120 146021081 /nfs/dbraw/zinc/02/10/81/146021081.db2.gz WQRHJMKEBBNOAI-UHFFFAOYSA-N 1 0 302.172 2.817 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245498012 146078177 /nfs/dbraw/zinc/07/81/77/146078177.db2.gz VFSHIQHJJIQCPU-SWLSCSKDSA-N 1 0 320.393 2.789 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000246707477 146150943 /nfs/dbraw/zinc/15/09/43/146150943.db2.gz NOZIVEBPVZQOOH-YOEHRIQHSA-N 1 0 320.389 2.865 20 5 DFBDRO CCOCCO[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255320896 146232987 /nfs/dbraw/zinc/23/29/87/146232987.db2.gz ICBMKZLSXGZAIE-WRLNGNIRSA-N 1 0 320.389 2.735 20 5 DFBDRO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000261743161 146269778 /nfs/dbraw/zinc/26/97/78/146269778.db2.gz SHAUREWACBGHMG-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO [NH3+]C1(c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000261890730 146296945 /nfs/dbraw/zinc/29/69/45/146296945.db2.gz XKVZNBKIFZRQMN-UHFFFAOYSA-N 1 0 320.374 2.998 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000261985128 146315358 /nfs/dbraw/zinc/31/53/58/146315358.db2.gz RVOXEOANCDITHW-SGMGOOAPSA-N 1 0 309.797 2.807 20 5 DFBDRO C[C@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262113746 146335355 /nfs/dbraw/zinc/33/53/55/146335355.db2.gz JZSXZMVODMESQB-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCC[NH2+]C1 ZINC000262376743 146354510 /nfs/dbraw/zinc/35/45/10/146354510.db2.gz YDZXRLHRDYNABI-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262618357 146377329 /nfs/dbraw/zinc/37/73/29/146377329.db2.gz FAOHGJYWGPZONC-QWHCGFSZSA-N 1 0 317.389 2.510 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000354379817 147016250 /nfs/dbraw/zinc/01/62/50/147016250.db2.gz COPMKGNMFGCAOC-VXGBXAGGSA-N 1 0 323.368 2.679 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000355498513 147338407 /nfs/dbraw/zinc/33/84/07/147338407.db2.gz NSXHXYYMEXANQT-BYPUDFOVSA-N 1 0 322.430 2.798 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000355498517 147338421 /nfs/dbraw/zinc/33/84/21/147338421.db2.gz NSXHXYYMEXANQT-YFCVBGDOSA-N 1 0 322.430 2.798 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000350023323 285992034 /nfs/dbraw/zinc/99/20/34/285992034.db2.gz ZEDLANKSPCBMPY-QGZVFWFLSA-N 1 0 320.389 2.673 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCCC[C@H]2Cc2ccccc2)c1 ZINC000357651062 148070071 /nfs/dbraw/zinc/07/00/71/148070071.db2.gz NBFPLRLOEAABJI-INIZCTEOSA-N 1 0 314.389 2.889 20 5 DFBDRO Cc1cc(N2C[C@H](CO)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357658042 148073666 /nfs/dbraw/zinc/07/36/66/148073666.db2.gz OKUBXBBKOIHHEN-ZYHUDNBSSA-N 1 0 301.346 2.516 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000357666931 148076906 /nfs/dbraw/zinc/07/69/06/148076906.db2.gz RTUVGAAVDNKZAS-WCQYABFASA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357668515 148078157 /nfs/dbraw/zinc/07/81/57/148078157.db2.gz VYXDZOYYMMSAFJ-VXGBXAGGSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1[nH+]ccc(NCCNc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000350285701 286024435 /nfs/dbraw/zinc/02/44/35/286024435.db2.gz HHLRASDKWCWYKO-UHFFFAOYSA-N 1 0 306.753 2.898 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288983 286025042 /nfs/dbraw/zinc/02/50/42/286025042.db2.gz PVSRIDYFDQRNRU-SMDDNHRTSA-N 1 0 311.813 2.721 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360990238 149001239 /nfs/dbraw/zinc/00/12/39/149001239.db2.gz JZYKOQDEYAOMGW-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1[N+](=O)[O-] ZINC000361064347 149021445 /nfs/dbraw/zinc/02/14/45/149021445.db2.gz CMVMYWVYVXIPJL-UHFFFAOYSA-N 1 0 314.389 2.805 20 5 DFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361136450 149036192 /nfs/dbraw/zinc/03/61/92/149036192.db2.gz QNSWEYTYESTHOR-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+](C)C ZINC000361220498 149057956 /nfs/dbraw/zinc/05/79/56/149057956.db2.gz LGTWDZQJUWWSII-HNNXBMFYSA-N 1 0 321.421 2.622 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361438051 149116258 /nfs/dbraw/zinc/11/62/58/149116258.db2.gz TWIIGEKQFPJURQ-GUYCJALGSA-N 1 0 320.389 2.926 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470682 149124336 /nfs/dbraw/zinc/12/43/36/149124336.db2.gz UTASGBSVVINRKF-KGLIPLIRSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CCC1 ZINC000361481247 149126032 /nfs/dbraw/zinc/12/60/32/149126032.db2.gz KQQYOEPAEGQAGK-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[N@H+](CC1CCC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361482012 149126700 /nfs/dbraw/zinc/12/67/00/149126700.db2.gz SYMFCKGAGHUKND-INIZCTEOSA-N 1 0 317.389 2.822 20 5 DFBDRO CCCC(=O)N[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000350865102 286095857 /nfs/dbraw/zinc/09/58/57/286095857.db2.gz AILILZWZPCQOBN-LBPRGKRZSA-N 1 0 323.368 2.615 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000361968216 149267764 /nfs/dbraw/zinc/26/77/64/149267764.db2.gz ZRJNPBVMMNIHDB-CABCVRRESA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000362743223 149356851 /nfs/dbraw/zinc/35/68/51/149356851.db2.gz WBNGAJNZUMFVBL-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351501158 286137107 /nfs/dbraw/zinc/13/71/07/286137107.db2.gz IPMUOYVNLNLZSB-BFHYXJOUSA-N 1 0 324.425 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000371539295 150063370 /nfs/dbraw/zinc/06/33/70/150063370.db2.gz OOAHAYQPIWRUQC-ZDUSSCGKSA-N 1 0 302.334 2.664 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000351602866 286166147 /nfs/dbraw/zinc/16/61/47/286166147.db2.gz JCKKTEADNZIMMX-GHMZBOCLSA-N 1 0 324.356 2.680 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000372811421 150187244 /nfs/dbraw/zinc/18/72/44/150187244.db2.gz FMTOWAYTLRULJY-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351624651 286173632 /nfs/dbraw/zinc/17/36/32/286173632.db2.gz ZBFXIQOPIJOYSS-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO COc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc1 ZINC000373240419 150252511 /nfs/dbraw/zinc/25/25/11/150252511.db2.gz CVBJWGISGGQHDO-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO CCC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000373781662 150257672 /nfs/dbraw/zinc/25/76/72/150257672.db2.gz IXEWLWAAIMXXOA-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351633056 286176472 /nfs/dbraw/zinc/17/64/72/286176472.db2.gz YEXAULSKWFFBBS-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000373978968 150286572 /nfs/dbraw/zinc/28/65/72/150286572.db2.gz UMMUKXMFASVUCX-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@H]21 ZINC000375034772 150389384 /nfs/dbraw/zinc/38/93/84/150389384.db2.gz DHTZPXYMBLVDGP-IUODEOHRSA-N 1 0 309.797 2.774 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351862506 286234000 /nfs/dbraw/zinc/23/40/00/286234000.db2.gz PRHJYUWBTRMJSP-OLZOCXBDSA-N 1 0 307.394 2.551 20 5 DFBDRO COc1cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000351970948 286257388 /nfs/dbraw/zinc/25/73/88/286257388.db2.gz MKKZEQQJGIIFHE-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[N@H+](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000352452770 286378008 /nfs/dbraw/zinc/37/80/08/286378008.db2.gz BFCCHSGZUBGDCR-CYBMUJFWSA-N 1 0 319.405 2.884 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000286326491 286383340 /nfs/dbraw/zinc/38/33/40/286383340.db2.gz LFEFTBMBDQEEFK-STQMWFEESA-N 1 0 305.378 2.666 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]([C@H](C)CO)C1CCCC1 ZINC000276480401 286384131 /nfs/dbraw/zinc/38/41/31/286384131.db2.gz SAEFGPJHHSFRNX-GFCCVEGCSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000292449176 286382374 /nfs/dbraw/zinc/38/23/74/286382374.db2.gz ZAXVVRHLWYKKHC-CYBMUJFWSA-N 1 0 319.405 2.914 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000371529542 292296688 /nfs/dbraw/zinc/29/66/88/292296688.db2.gz SQHQSYYBCBXCDR-VBQJREDUSA-N 1 0 303.406 2.990 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352781100 286466010 /nfs/dbraw/zinc/46/60/10/286466010.db2.gz XGFBDIDTSOHXOZ-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000353042973 286537263 /nfs/dbraw/zinc/53/72/63/286537263.db2.gz QLYAOPDHJNBXNO-JTQLQIEISA-N 1 0 308.769 2.875 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOC(F)(F)F ZINC000353207148 286579366 /nfs/dbraw/zinc/57/93/66/286579366.db2.gz NEGOXDMIAZUWAC-UHFFFAOYSA-N 1 0 308.256 2.620 20 5 DFBDRO Cc1sccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000353231771 286585437 /nfs/dbraw/zinc/58/54/37/286585437.db2.gz JRWDVQHCJXCJFG-UHFFFAOYSA-N 1 0 306.391 2.998 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000183329498 158016293 /nfs/dbraw/zinc/01/62/93/158016293.db2.gz VIKMOSCBDHDDRR-INIZCTEOSA-N 1 0 300.362 2.974 20 5 DFBDRO Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247545922 158143222 /nfs/dbraw/zinc/14/32/22/158143222.db2.gz YINCVIBFTMDCCW-ONGXEEELSA-N 1 0 311.407 2.519 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247981215 158154913 /nfs/dbraw/zinc/15/49/13/158154913.db2.gz IIJYDGHPNBNZJT-YOEHRIQHSA-N 1 0 320.389 2.601 20 5 DFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408897 158173887 /nfs/dbraw/zinc/17/38/87/158173887.db2.gz FNOQKOYJBWRQAZ-RHSMWYFYSA-N 1 0 321.421 2.602 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252551633 158206055 /nfs/dbraw/zinc/20/60/55/158206055.db2.gz PUCNCOZQGPEPCS-QWRGUYRKSA-N 1 0 311.769 2.523 20 5 DFBDRO O=[N+]([O-])c1c(NCC2CC[NH+](C3CC3)CC2)nc2sccn21 ZINC000277996437 158211690 /nfs/dbraw/zinc/21/16/90/158211690.db2.gz XFKNIWGBEZDIHH-UHFFFAOYSA-N 1 0 321.406 2.590 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358297947 158370093 /nfs/dbraw/zinc/37/00/93/158370093.db2.gz DEOYBKNTZUKUEH-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000358345361 158372131 /nfs/dbraw/zinc/37/21/31/158372131.db2.gz NJSMIYSMKAUBSI-ZDUSSCGKSA-N 1 0 309.435 2.761 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372409510 158687102 /nfs/dbraw/zinc/68/71/02/158687102.db2.gz SJZKELPTOIWJPF-KGLIPLIRSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000375820994 158875031 /nfs/dbraw/zinc/87/50/31/158875031.db2.gz YPWYRJDESILDBI-BBRMVZONSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000430809071 296808540 /nfs/dbraw/zinc/80/85/40/296808540.db2.gz COSBOZVHYBLFPW-QWHCGFSZSA-N 1 0 323.393 2.818 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493751095 299822269 /nfs/dbraw/zinc/82/22/69/299822269.db2.gz ILXRTRMMZVJERP-WBTMPAOCSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000185414397 286835440 /nfs/dbraw/zinc/83/54/40/286835440.db2.gz TVLVIFJEGRZUKR-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000946 287034186 /nfs/dbraw/zinc/03/41/86/287034186.db2.gz UWQPCEFBJQFBBE-DOMZBBRYSA-N 1 0 309.435 2.683 20 5 DFBDRO CC[C@H]([NH2+][C@@H](COC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000433005346 296894501 /nfs/dbraw/zinc/89/45/01/296894501.db2.gz BJAPBSKYQGFZBW-HRCADAONSA-N 1 0 308.378 2.830 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000133262716 196326313 /nfs/dbraw/zinc/32/63/13/196326313.db2.gz WVJJXPFRVMVRPW-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO CSc1ccc(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)cc1[N+](=O)[O-] ZINC000297333306 227023101 /nfs/dbraw/zinc/02/31/01/227023101.db2.gz HXKLJMUALQLERR-BHDSKKPTSA-N 1 0 323.418 2.515 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291236698 222246042 /nfs/dbraw/zinc/24/60/42/222246042.db2.gz KUGGACTWSGQONA-SFHVURJKSA-N 1 0 312.369 2.731 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000291332201 222320035 /nfs/dbraw/zinc/32/00/35/222320035.db2.gz VXLWJKOWQUSEBH-CYBMUJFWSA-N 1 0 310.394 2.703 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000063302669 425900581 /nfs/dbraw/zinc/90/05/81/425900581.db2.gz HNOPLUMTKJMVEP-CYBMUJFWSA-N 1 0 317.389 2.606 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000067264550 425909538 /nfs/dbraw/zinc/90/95/38/425909538.db2.gz KMSIBDCWNIHTFO-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000015128913 425779887 /nfs/dbraw/zinc/77/98/87/425779887.db2.gz NDVSYGGNJQXSOE-AWEZNQCLSA-N 1 0 300.362 2.575 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC(C)C)C1CC1 ZINC000044898266 425858573 /nfs/dbraw/zinc/85/85/73/425858573.db2.gz JLEKXMYIPPQSGG-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000027456711 425816253 /nfs/dbraw/zinc/81/62/53/425816253.db2.gz YHOXJUTXBRWIIT-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO CCCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1Cl ZINC000190399321 267976748 /nfs/dbraw/zinc/97/67/48/267976748.db2.gz CELHHXSKOCEUSR-UHFFFAOYSA-N 1 0 300.790 2.811 20 5 DFBDRO C[NH+]1CCC(Nc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000037248255 425847683 /nfs/dbraw/zinc/84/76/83/425847683.db2.gz UBSLVQQDOVEUPU-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000038013996 425850135 /nfs/dbraw/zinc/85/01/35/425850135.db2.gz RLCOYVUIMLPONT-JTQLQIEISA-N 1 0 313.785 2.643 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000192611607 268043206 /nfs/dbraw/zinc/04/32/06/268043206.db2.gz PTIOCRVJECHFHM-CQSZACIVSA-N 1 0 321.425 2.574 20 5 DFBDRO O=C1CCCN1CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192613365 268043619 /nfs/dbraw/zinc/04/36/19/268043619.db2.gz GOWPJPMEPGYYKG-INIZCTEOSA-N 1 0 317.389 2.574 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000192930882 268054296 /nfs/dbraw/zinc/05/42/96/268054296.db2.gz LORWQBYILVGKCP-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000193393567 268066807 /nfs/dbraw/zinc/06/68/07/268066807.db2.gz ZWGFKZUSGCIWKU-UHFFFAOYSA-N 1 0 319.405 2.764 20 5 DFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000047453610 425869700 /nfs/dbraw/zinc/86/97/00/425869700.db2.gz YZIZZXIKNVXDLZ-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO C[NH+](C)Cc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1 ZINC000047452834 425869818 /nfs/dbraw/zinc/86/98/18/425869818.db2.gz XVRGUQKAXJADIW-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO CCCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236830366 268151209 /nfs/dbraw/zinc/15/12/09/268151209.db2.gz JBHVLMAEVBMNOG-VOTSOKGWSA-N 1 0 317.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3O)o2)c1 ZINC000238089695 268163337 /nfs/dbraw/zinc/16/33/37/268163337.db2.gz LEWCELXNPKAWBQ-HUUCEWRRSA-N 1 0 302.330 2.858 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000248370500 268165890 /nfs/dbraw/zinc/16/58/90/268165890.db2.gz XOXULYQGNWYATA-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000268851932 268186319 /nfs/dbraw/zinc/18/63/19/268186319.db2.gz SYZXCDZHBBPCQQ-SNVBAGLBSA-N 1 0 305.309 2.988 20 5 DFBDRO C[C@@H](O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269670613 268189893 /nfs/dbraw/zinc/18/98/93/268189893.db2.gz UOTYYCURXSAAIR-DYVFJYSZSA-N 1 0 322.405 2.644 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270692404 268202241 /nfs/dbraw/zinc/20/22/41/268202241.db2.gz GFAVNIQVIRBUPF-TZMCWYRMSA-N 1 0 323.780 2.605 20 5 DFBDRO Cn1cc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cn1 ZINC000270912522 268233620 /nfs/dbraw/zinc/23/36/20/268233620.db2.gz QLOZNUXMZVKOBE-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO CCC[C@@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000270920888 268235444 /nfs/dbraw/zinc/23/54/44/268235444.db2.gz RTKABTBFRVNTMH-ZDUSSCGKSA-N 1 0 313.785 2.595 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000271318038 268248839 /nfs/dbraw/zinc/24/88/39/268248839.db2.gz NZECIUUSTYHMSI-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296259427 268301211 /nfs/dbraw/zinc/30/12/11/268301211.db2.gz DEPHTCDEKOPFPM-LBPRGKRZSA-N 1 0 300.362 2.774 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000296975734 268307531 /nfs/dbraw/zinc/30/75/31/268307531.db2.gz SNMAYILDFPCOBC-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[N@H+](CCO)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000305735096 268333815 /nfs/dbraw/zinc/33/38/15/268333815.db2.gz RBRYJEMWQCPODR-UHFFFAOYSA-N 1 0 320.345 2.678 20 5 DFBDRO [NH3+]C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000322973163 268349652 /nfs/dbraw/zinc/34/96/52/268349652.db2.gz YZZFGENPPZYSJD-CLOOOTJHSA-N 1 0 317.389 2.632 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000049946375 425880966 /nfs/dbraw/zinc/88/09/66/425880966.db2.gz LUTYLKYMPDBUEE-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(OC)c1 ZINC000157679654 425938921 /nfs/dbraw/zinc/93/89/21/425938921.db2.gz DWJOBQWSNYTSNT-ZDUSSCGKSA-N 1 0 318.377 2.883 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125874718 425994435 /nfs/dbraw/zinc/99/44/35/425994435.db2.gz IPYIBKCDYPVUAQ-CYBMUJFWSA-N 1 0 305.378 2.964 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000104215024 425961456 /nfs/dbraw/zinc/96/14/56/425961456.db2.gz PSBNMJNBXGTBEN-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000104389142 425964115 /nfs/dbraw/zinc/96/41/15/425964115.db2.gz IPILDMWKJMPEIM-WAFBPQNNSA-N 1 0 323.368 2.594 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337448748 268494929 /nfs/dbraw/zinc/49/49/29/268494929.db2.gz DKLSGOYLOILUOT-SKDRFNHKSA-N 1 0 311.769 2.965 20 5 DFBDRO CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000073799692 426032566 /nfs/dbraw/zinc/03/25/66/426032566.db2.gz DGPUWNOSKFBDKN-OAHLLOKOSA-N 1 0 320.393 2.837 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000126750207 426035226 /nfs/dbraw/zinc/03/52/26/426035226.db2.gz SOIBPFFJZCGYEQ-UHFFFAOYSA-N 1 0 320.393 2.981 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000074001451 426036640 /nfs/dbraw/zinc/03/66/40/426036640.db2.gz RHENRBTXLMQKQV-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO CCc1nn(C)c(CC)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000161974623 426047188 /nfs/dbraw/zinc/04/71/88/426047188.db2.gz VQIHEACZDSTMIP-UHFFFAOYSA-N 1 0 316.405 2.785 20 5 DFBDRO CSCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000126361817 426016422 /nfs/dbraw/zinc/01/64/22/426016422.db2.gz VBVDIDFBQZBELF-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO COCCOC[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000075951932 426090577 /nfs/dbraw/zinc/09/05/77/426090577.db2.gz BOJFTQNFLZBCJP-KGLIPLIRSA-N 1 0 308.378 2.641 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000076004343 426093996 /nfs/dbraw/zinc/09/39/96/426093996.db2.gz BCOHCDGSNYFBQP-HNNXBMFYSA-N 1 0 321.421 2.637 20 5 DFBDRO COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163368919 426097314 /nfs/dbraw/zinc/09/73/14/426097314.db2.gz IILNBVHTTGZNDL-CABCVRRESA-N 1 0 321.421 2.665 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000112983378 426099804 /nfs/dbraw/zinc/09/98/04/426099804.db2.gz CJRPGAPWDLKPKW-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000076225742 426104856 /nfs/dbraw/zinc/10/48/56/426104856.db2.gz WVVFNOOCWXSCSZ-UHFFFAOYSA-N 1 0 307.394 2.837 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000113198763 426106325 /nfs/dbraw/zinc/10/63/25/426106325.db2.gz RDJUSLARYHHGLZ-ZDUSSCGKSA-N 1 0 323.368 2.728 20 5 DFBDRO CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000113343283 426112583 /nfs/dbraw/zinc/11/25/83/426112583.db2.gz NAAZCULWIRDKKB-CYBMUJFWSA-N 1 0 321.377 2.694 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000337999299 268596468 /nfs/dbraw/zinc/59/64/68/268596468.db2.gz SVILNUYVYUNGSR-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000114509137 426138521 /nfs/dbraw/zinc/13/85/21/426138521.db2.gz JLZAYMBGIJWJQU-INIZCTEOSA-N 1 0 322.311 2.870 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458730 426136188 /nfs/dbraw/zinc/13/61/88/426136188.db2.gz SITFPXBHGVOCAT-SJORKVTESA-N 1 0 322.405 2.989 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078583895 426176069 /nfs/dbraw/zinc/17/60/69/426176069.db2.gz ZFXPEAYEOCCQHN-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000078656010 426179253 /nfs/dbraw/zinc/17/92/53/426179253.db2.gz KCDQZMPCUUJJIZ-UHFFFAOYSA-N 1 0 319.405 2.914 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134197405 426186396 /nfs/dbraw/zinc/18/63/96/426186396.db2.gz LJLQETOXVHZNFJ-VBQJREDUSA-N 1 0 321.421 2.745 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000118787603 426244465 /nfs/dbraw/zinc/24/44/65/426244465.db2.gz DJVTWDFQXHWDOB-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO C[N@@H+](Cc1ccccc1F)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136810697 426247196 /nfs/dbraw/zinc/24/71/96/426247196.db2.gz SSKNHTVQFSUYND-MRXNPFEDSA-N 1 0 304.321 2.899 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000173815483 426248782 /nfs/dbraw/zinc/24/87/82/426248782.db2.gz RGAKSVCEPZHFSL-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccccc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866163 426250217 /nfs/dbraw/zinc/25/02/17/426250217.db2.gz JOVDONKHGXBZRQ-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471205 426258964 /nfs/dbraw/zinc/25/89/64/426258964.db2.gz BNRKMEKBUYPXFG-BDAKNGLRSA-N 1 0 303.284 2.800 20 5 DFBDRO O=[N+]([O-])c1cnccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000149477819 426259428 /nfs/dbraw/zinc/25/94/28/426259428.db2.gz IWCUSKVHVPASQH-UHFFFAOYSA-N 1 0 313.361 2.713 20 5 DFBDRO C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000150845386 426264471 /nfs/dbraw/zinc/26/44/71/426264471.db2.gz LRQURQQSPBFRFB-GFCCVEGCSA-N 1 0 317.389 2.510 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3cccs3)CC2)c1 ZINC000174867812 426267387 /nfs/dbraw/zinc/26/73/87/426267387.db2.gz VNBFCEZBHOHIAJ-UHFFFAOYSA-N 1 0 304.375 2.642 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2nc(C)no2)cc1[N+](=O)[O-] ZINC000089518116 426295999 /nfs/dbraw/zinc/29/59/99/426295999.db2.gz TXBGDGABACYEMA-JTQLQIEISA-N 1 0 320.349 2.578 20 5 DFBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539348 426327242 /nfs/dbraw/zinc/32/72/42/426327242.db2.gz FGULBVFCOIVRMR-INIZCTEOSA-N 1 0 320.368 2.787 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000175033069 426276230 /nfs/dbraw/zinc/27/62/30/426276230.db2.gz JYIHQIJFQVVNAM-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000175162942 426283393 /nfs/dbraw/zinc/28/33/93/426283393.db2.gz SXEBXVZNCQTYAM-HNNXBMFYSA-N 1 0 307.394 2.520 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@@H]3CO)o2)c1 ZINC000119394834 426285264 /nfs/dbraw/zinc/28/52/64/426285264.db2.gz NAGGDZYCDPNZCI-CQSZACIVSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000091901412 426344361 /nfs/dbraw/zinc/34/43/61/426344361.db2.gz KOGYINCOKGFTRY-NEPJUHHUSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152709671 426349707 /nfs/dbraw/zinc/34/97/07/426349707.db2.gz JTCBTGIDVCQTEU-KBPBESRZSA-N 1 0 317.389 2.964 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152806619 426355324 /nfs/dbraw/zinc/35/53/24/426355324.db2.gz WWZDERQLSPBPNN-YNEHKIRRSA-N 1 0 303.362 2.654 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(F)cc3)CCCC2)n1 ZINC000176230012 426362088 /nfs/dbraw/zinc/36/20/88/426362088.db2.gz KVILQEVXILNQSB-UHFFFAOYSA-N 1 0 318.352 2.990 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176248967 426363136 /nfs/dbraw/zinc/36/31/36/426363136.db2.gz ASJOVGGNYVZGJQ-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262286 426365322 /nfs/dbraw/zinc/36/53/22/426365322.db2.gz MGGALJUUCBORGA-ZDUSSCGKSA-N 1 0 304.350 2.920 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000153000174 426366133 /nfs/dbraw/zinc/36/61/33/426366133.db2.gz BRLHIAIHLDXWIV-WZRBSPASSA-N 1 0 314.288 2.606 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000122333491 426370607 /nfs/dbraw/zinc/37/06/07/426370607.db2.gz HANYYDCOUSIORQ-BXUZGUMPSA-N 1 0 323.368 2.536 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000153237833 426377814 /nfs/dbraw/zinc/37/78/14/426377814.db2.gz IIBCJXQRWPYZKD-ZDUSSCGKSA-N 1 0 318.377 2.544 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000122542829 426380925 /nfs/dbraw/zinc/38/09/25/426380925.db2.gz DQAKQQUGWSKZNF-UHFFFAOYSA-N 1 0 303.406 2.698 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176486682 426386801 /nfs/dbraw/zinc/38/68/01/426386801.db2.gz ROOOKNSMWLHSGM-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000153955093 426416046 /nfs/dbraw/zinc/41/60/46/426416046.db2.gz CIYAJUOELHGVKL-LBPRGKRZSA-N 1 0 320.780 2.971 20 5 DFBDRO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc([N+](=O)[O-])c1 ZINC000123179020 426418700 /nfs/dbraw/zinc/41/87/00/426418700.db2.gz KOSQXLYBGUISJT-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1 ZINC000154487048 426442295 /nfs/dbraw/zinc/44/22/95/426442295.db2.gz BATJHVHSJBHSRI-HZPDHXFCSA-N 1 0 301.346 2.793 20 5 DFBDRO C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340968700 269029934 /nfs/dbraw/zinc/02/99/34/269029934.db2.gz GOFFYIFWCALHEP-NSHDSACASA-N 1 0 322.324 2.834 20 5 DFBDRO C[C@H]([N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177247315 426459286 /nfs/dbraw/zinc/45/92/86/426459286.db2.gz KOEWVSYTIXVEST-LBPRGKRZSA-N 1 0 305.378 2.678 20 5 DFBDRO C[C@@H]([N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177247332 426459487 /nfs/dbraw/zinc/45/94/87/426459487.db2.gz KOEWVSYTIXVEST-GFCCVEGCSA-N 1 0 305.378 2.678 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1ccccc1[N+](=O)[O-] ZINC000177349168 426471165 /nfs/dbraw/zinc/47/11/65/426471165.db2.gz OYSIPZWSLJIOJF-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000124288137 426478098 /nfs/dbraw/zinc/47/80/98/426478098.db2.gz SERBEKDZUMUKSJ-LBPRGKRZSA-N 1 0 300.362 2.980 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000186457451 426531837 /nfs/dbraw/zinc/53/18/37/426531837.db2.gz QEZFXSQZVFAURO-CHWSQXEVSA-N 1 0 321.377 2.785 20 5 DFBDRO COc1ccc(CNC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000264367315 426544957 /nfs/dbraw/zinc/54/49/57/426544957.db2.gz UGCCJNLRJTYQSC-UHFFFAOYSA-N 1 0 319.405 2.710 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000177980107 426549696 /nfs/dbraw/zinc/54/96/96/426549696.db2.gz CVYQPZKQVQCPDO-DYVFJYSZSA-N 1 0 320.389 2.994 20 5 DFBDRO CCC[C@H]([NH2+]CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177990935 426550891 /nfs/dbraw/zinc/55/08/91/426550891.db2.gz LTJUWWIXAXNXFR-HNNXBMFYSA-N 1 0 307.394 2.894 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194706750 426491384 /nfs/dbraw/zinc/49/13/84/426491384.db2.gz RYBDMDBQACBUSI-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186271203 426499151 /nfs/dbraw/zinc/49/91/51/426499151.db2.gz SVCDKHOXWMATBI-ZDUSSCGKSA-N 1 0 315.377 2.660 20 5 DFBDRO CC(=O)c1cc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000288080340 426505681 /nfs/dbraw/zinc/50/56/81/426505681.db2.gz VWCIDHXMEDNDPK-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO CCCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273028602 426578826 /nfs/dbraw/zinc/57/88/26/426578826.db2.gz MGKWKJZGDMSKQU-AWEZNQCLSA-N 1 0 308.378 2.599 20 5 DFBDRO CC(=O)c1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265224733 426600932 /nfs/dbraw/zinc/60/09/32/426600932.db2.gz PEVPJZVPUDNOGF-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO CCOc1cccc(N2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000273197753 426613306 /nfs/dbraw/zinc/61/33/06/426613306.db2.gz QUKANILDORFJRS-UHFFFAOYSA-N 1 0 305.378 2.526 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[N@@H+](C3CC3)CC2)ccc1Cl ZINC000178019242 426556639 /nfs/dbraw/zinc/55/66/39/426556639.db2.gz TYTNFVSIWUHGAQ-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000178493793 426640013 /nfs/dbraw/zinc/64/00/13/426640013.db2.gz YNFOVBQQLCNHBX-DGCLKSJQSA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000178493805 426640981 /nfs/dbraw/zinc/64/09/81/426640981.db2.gz YNFOVBQQLCNHBX-YPMHNXCESA-N 1 0 305.378 2.565 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000265513625 426649799 /nfs/dbraw/zinc/64/97/99/426649799.db2.gz PVXZNBNNGCCBBJ-ZDUSSCGKSA-N 1 0 305.378 2.508 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000236578389 426662140 /nfs/dbraw/zinc/66/21/40/426662140.db2.gz VTOPDMLZVXVXAX-KRWDZBQOSA-N 1 0 319.405 2.750 20 5 DFBDRO COc1cc(C[NH2+]CCSC(C)C)c([N+](=O)[O-])cc1OC ZINC000290079519 426686999 /nfs/dbraw/zinc/68/69/99/426686999.db2.gz ISTJLRMFWROLTL-UHFFFAOYSA-N 1 0 314.407 2.843 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000178682836 426675367 /nfs/dbraw/zinc/67/53/67/426675367.db2.gz SDJMJKBFNCMKJI-OLZOCXBDSA-N 1 0 307.394 2.809 20 5 DFBDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236694909 426676166 /nfs/dbraw/zinc/67/61/66/426676166.db2.gz TVPQBQIZHXUPCT-LBPRGKRZSA-N 1 0 307.394 2.846 20 5 DFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686694 426677392 /nfs/dbraw/zinc/67/73/92/426677392.db2.gz DTIZAAKHQLRXQH-CHWSQXEVSA-N 1 0 307.394 2.892 20 5 DFBDRO COC(=O)c1ccc(OCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000187671638 426683291 /nfs/dbraw/zinc/68/32/91/426683291.db2.gz VIDKDRLOTYQODE-UHFFFAOYSA-N 1 0 322.361 2.636 20 5 DFBDRO CCC(=O)c1ccc(N(C)[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280643103 426623537 /nfs/dbraw/zinc/62/35/37/426623537.db2.gz DNSMRAQHNBPYCN-ZDUSSCGKSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000273653586 426702885 /nfs/dbraw/zinc/70/28/85/426702885.db2.gz HBEUXGGGNJDXQQ-LLVKDONJSA-N 1 0 305.378 2.562 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000290167690 426709415 /nfs/dbraw/zinc/70/94/15/426709415.db2.gz QPQMSWQYPVEVNW-QGZVFWFLSA-N 1 0 300.358 2.596 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290092898 426692504 /nfs/dbraw/zinc/69/25/04/426692504.db2.gz WZYSJEKGDUCCLV-CVEARBPZSA-N 1 0 319.405 2.720 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000187776455 426693791 /nfs/dbraw/zinc/69/37/91/426693791.db2.gz OTEAMXXSNBVTMJ-CQSZACIVSA-N 1 0 319.405 2.884 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000266720481 426766748 /nfs/dbraw/zinc/76/67/48/426766748.db2.gz HJDCBVKGRRTJPO-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266749893 426773665 /nfs/dbraw/zinc/77/36/65/426773665.db2.gz CEEYUFUQBUZFCK-JTQLQIEISA-N 1 0 305.300 2.740 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CNC(=O)OC(C)(C)C ZINC000274469663 426775939 /nfs/dbraw/zinc/77/59/39/426775939.db2.gz YZDPOFQPEGONMB-GFCCVEGCSA-N 1 0 323.393 2.906 20 5 DFBDRO CSc1cccc(C(=O)NCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000188757436 426786415 /nfs/dbraw/zinc/78/64/15/426786415.db2.gz HDKBRHQGLUHDRE-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO Cc1cc(NCC2([S@@](C)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000281600765 426726741 /nfs/dbraw/zinc/72/67/41/426726741.db2.gz FUXRWXVMMDGDOK-JOCHJYFZSA-N 1 0 319.386 2.774 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266547854 426735428 /nfs/dbraw/zinc/73/54/28/426735428.db2.gz SKDYZYTXUDDVIH-KGLIPLIRSA-N 1 0 319.405 2.894 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281740666 426754967 /nfs/dbraw/zinc/75/49/67/426754967.db2.gz QKHPWWBHWZSKPK-SFHVURJKSA-N 1 0 312.369 2.909 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281740661 426755310 /nfs/dbraw/zinc/75/53/10/426755310.db2.gz QKHPWWBHWZSKPK-GOSISDBHSA-N 1 0 312.369 2.909 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H]1C(C)C ZINC000266662692 426758268 /nfs/dbraw/zinc/75/82/68/426758268.db2.gz MIXNBDQLJWXINM-HNNXBMFYSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000267084517 426822253 /nfs/dbraw/zinc/82/22/53/426822253.db2.gz ZCUXLWBVZGSEAQ-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCC1 ZINC000189452178 426857759 /nfs/dbraw/zinc/85/77/59/426857759.db2.gz NVDPRLCOMRRISP-ZDUSSCGKSA-N 1 0 307.394 2.885 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290737385 426828222 /nfs/dbraw/zinc/82/82/22/426828222.db2.gz RFTNGIPHENWKKO-ZDUSSCGKSA-N 1 0 322.409 2.514 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc(F)c1 ZINC000267142922 426830562 /nfs/dbraw/zinc/83/05/62/426830562.db2.gz AISQADYMXDBUKS-BDJLRTHQSA-N 1 0 304.321 2.946 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000274765484 426830745 /nfs/dbraw/zinc/83/07/45/426830745.db2.gz YKUZSVWGUKSRIR-NSHDSACASA-N 1 0 305.378 2.651 20 5 DFBDRO COc1cc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000282145139 426837063 /nfs/dbraw/zinc/83/70/63/426837063.db2.gz HGOLAILWENNRIV-QWRGUYRKSA-N 1 0 324.377 2.602 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266900586 426791512 /nfs/dbraw/zinc/79/15/12/426791512.db2.gz UECSYTKLMOSMKL-ZIAGYGMSSA-N 1 0 316.357 2.685 20 5 DFBDRO C[C@@H]([N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)O ZINC000295221857 426869889 /nfs/dbraw/zinc/86/98/89/426869889.db2.gz VSUNUOOHVHNKDW-LLVKDONJSA-N 1 0 319.361 2.841 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000247038833 426894493 /nfs/dbraw/zinc/89/44/93/426894493.db2.gz UZTWEKDDWFNOAK-CZUORRHYSA-N 1 0 322.405 2.975 20 5 DFBDRO C[C@H](CCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295312854 426903130 /nfs/dbraw/zinc/90/31/30/426903130.db2.gz WCRBOHBWMSFJHN-SECBINFHSA-N 1 0 307.375 2.667 20 5 DFBDRO C[N@H+](CCO[C@@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000282422078 426910099 /nfs/dbraw/zinc/91/00/99/426910099.db2.gz JLKHWNFGKDLCNQ-MRXNPFEDSA-N 1 0 308.378 2.612 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000247531670 426950304 /nfs/dbraw/zinc/95/03/04/426950304.db2.gz XOWGTDXGWVXDMP-JQWIXIFHSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000189791881 426952805 /nfs/dbraw/zinc/95/28/05/426952805.db2.gz ZFCLCBCHECRDBK-ZDUSSCGKSA-N 1 0 318.295 2.873 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000268256057 426965928 /nfs/dbraw/zinc/96/59/28/426965928.db2.gz QIIYVNIVMVFYKS-BLLLJJGKSA-N 1 0 307.394 2.882 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248061337 426979002 /nfs/dbraw/zinc/97/90/02/426979002.db2.gz YOIQWVGMRLTYSA-RDJZCZTQSA-N 1 0 304.390 2.764 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248326266 426991273 /nfs/dbraw/zinc/99/12/73/426991273.db2.gz BTRAYRCSMWLPJK-WOPDTQHZSA-N 1 0 321.377 2.661 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000291646294 426936322 /nfs/dbraw/zinc/93/63/22/426936322.db2.gz DZRLCNAFKZMDLL-OAHLLOKOSA-N 1 0 319.405 2.849 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000283041723 426939798 /nfs/dbraw/zinc/93/97/98/426939798.db2.gz IJQNBPBVZBETAU-ZJUUUORDSA-N 1 0 314.769 2.926 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCNC(=O)CC1 ZINC000295536336 426997366 /nfs/dbraw/zinc/99/73/66/426997366.db2.gz NWIPBQWPYZZQED-OAHLLOKOSA-N 1 0 319.405 2.722 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000248474816 427003941 /nfs/dbraw/zinc/00/39/41/427003941.db2.gz XKFHCYMATWMHBJ-ZNMIVQPWSA-N 1 0 320.389 2.599 20 5 DFBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248470402 427004471 /nfs/dbraw/zinc/00/44/71/427004471.db2.gz VAGKWXXMMZJUKN-HUUCEWRRSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291917976 427025821 /nfs/dbraw/zinc/02/58/21/427025821.db2.gz LITQWYWTLBIDOD-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000295974129 427031301 /nfs/dbraw/zinc/03/13/01/427031301.db2.gz KLPPZOHTSUNXJC-GFCCVEGCSA-N 1 0 305.378 2.718 20 5 DFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248832235 427047812 /nfs/dbraw/zinc/04/78/12/427047812.db2.gz HTXJLEOGADBMHO-WKPIXPDZSA-N 1 0 310.419 2.674 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000190290791 427062770 /nfs/dbraw/zinc/06/27/70/427062770.db2.gz LCAGGLFYZQLRMB-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000276439922 427067153 /nfs/dbraw/zinc/06/71/53/427067153.db2.gz RGWOBYDGAMEUJT-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000276436027 427068172 /nfs/dbraw/zinc/06/81/72/427068172.db2.gz QPGGMAFKUPJAGP-YNEHKIRRSA-N 1 0 306.362 2.787 20 5 DFBDRO CC[NH+](CC)CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000276468039 427075977 /nfs/dbraw/zinc/07/59/77/427075977.db2.gz XXWCUFKLOINVDF-UHFFFAOYSA-N 1 0 308.382 2.675 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337999313 427085619 /nfs/dbraw/zinc/08/56/19/427085619.db2.gz SVILNUYVYUNGSR-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(=O)N1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182587510 427106359 /nfs/dbraw/zinc/10/63/59/427106359.db2.gz VYUYHEFIAIECMC-CYBMUJFWSA-N 1 0 305.378 2.518 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000249380406 427108898 /nfs/dbraw/zinc/10/88/98/427108898.db2.gz QFYYPGLIKXBLTE-YUDUHTQSSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967508 427108937 /nfs/dbraw/zinc/10/89/37/427108937.db2.gz GLKCFQHVVTWXEE-MGPLVRAMSA-N 1 0 319.336 2.700 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000296198797 427111954 /nfs/dbraw/zinc/11/19/54/427111954.db2.gz WABSGOKIRZPWFL-CUOATXAZSA-N 1 0 323.349 2.652 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000276782758 427118372 /nfs/dbraw/zinc/11/83/72/427118372.db2.gz OKUBXBBKOIHHEN-PWSUYJOCSA-N 1 0 301.346 2.516 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000249520604 427122584 /nfs/dbraw/zinc/12/25/84/427122584.db2.gz LYXHNKSSTKNMPU-SMKXDYDZSA-N 1 0 322.405 2.749 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000182671584 427123110 /nfs/dbraw/zinc/12/31/10/427123110.db2.gz DHWHTMQMIQJWIA-OUKQBFOZSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(C)(C)OC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292218648 427134656 /nfs/dbraw/zinc/13/46/56/427134656.db2.gz UVCVRYPQEYUCAQ-LBPRGKRZSA-N 1 0 310.394 2.596 20 5 DFBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000292230111 427139768 /nfs/dbraw/zinc/13/97/68/427139768.db2.gz VSHILXJNDFXYTC-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO Cc1cc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000182764268 427141471 /nfs/dbraw/zinc/14/14/71/427141471.db2.gz ILJQFWZTPHGVBJ-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO CC[C@@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000338155110 427161098 /nfs/dbraw/zinc/16/10/98/427161098.db2.gz UBDBNSYHDMALIA-INIZCTEOSA-N 1 0 321.421 2.716 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249775507 427146929 /nfs/dbraw/zinc/14/69/29/427146929.db2.gz WGZUNBHTCDNQOD-YNEHKIRRSA-N 1 0 307.394 2.939 20 5 DFBDRO Cc1cccc2c1C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000277283450 427152418 /nfs/dbraw/zinc/15/24/18/427152418.db2.gz SNGNDRXKOBCKCQ-SFHVURJKSA-N 1 0 312.369 2.995 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000268827129 427130622 /nfs/dbraw/zinc/13/06/22/427130622.db2.gz NLACZSIQQNOPGI-SNVBAGLBSA-N 1 0 316.361 2.861 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+](C)[C@H](C)CC)cc1[N+](=O)[O-] ZINC000174171705 271130598 /nfs/dbraw/zinc/13/05/98/271130598.db2.gz ZGMNUPRQDSGTHO-GFCCVEGCSA-N 1 0 307.394 2.617 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000175034510 271145051 /nfs/dbraw/zinc/14/50/51/271145051.db2.gz VHNSCIZZVOVJPT-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332401 271193125 /nfs/dbraw/zinc/19/31/25/271193125.db2.gz VLAOKZRPOUUYDS-OAHLLOKOSA-N 1 0 300.362 2.764 20 5 DFBDRO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000182931644 427169390 /nfs/dbraw/zinc/16/93/90/427169390.db2.gz CKSAYJSBICGIFD-CYBMUJFWSA-N 1 0 312.373 2.736 20 5 DFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000261556264 271268084 /nfs/dbraw/zinc/26/80/84/271268084.db2.gz VWGDFESVGYRSKQ-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272441286 271317849 /nfs/dbraw/zinc/31/78/49/271317849.db2.gz BDPWUQQXXUDRJQ-ZFWWWQNUSA-N 1 0 308.378 2.586 20 5 DFBDRO CO[C@]1(C)CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285386147 427219034 /nfs/dbraw/zinc/21/90/34/427219034.db2.gz SJFHIQJIEQELCF-CQSZACIVSA-N 1 0 300.305 2.874 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[N@@H+]3CCCC[C@H]3C2)c(F)c1 ZINC000284298698 427178639 /nfs/dbraw/zinc/17/86/39/427178639.db2.gz UVIPVUOOKWEOJY-NSHDSACASA-N 1 0 311.332 2.543 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269453538 427200681 /nfs/dbraw/zinc/20/06/81/427200681.db2.gz WMFMPAUCIVZNPZ-CJNGLKHVSA-N 1 0 316.405 2.751 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277494705 427221912 /nfs/dbraw/zinc/22/19/12/427221912.db2.gz OFGNOKSGZYDJRY-HNNXBMFYSA-N 1 0 319.405 2.710 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183213287 427222757 /nfs/dbraw/zinc/22/27/57/427222757.db2.gz DEXQWECZIGMTGS-GFCCVEGCSA-N 1 0 307.394 2.716 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000330399460 427230199 /nfs/dbraw/zinc/23/01/99/427230199.db2.gz RMMRWDQNRVGPMY-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000293163394 427231440 /nfs/dbraw/zinc/23/14/40/427231440.db2.gz FSVFKIBTIAPCKU-UHFFFAOYSA-N 1 0 323.393 2.637 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)c2cccnc2)C2CC2)c1 ZINC000296825142 427241705 /nfs/dbraw/zinc/24/17/05/427241705.db2.gz RFSYHJIDDIJLRP-KRWDZBQOSA-N 1 0 313.357 2.688 20 5 DFBDRO COc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285489300 427246004 /nfs/dbraw/zinc/24/60/04/427246004.db2.gz IMPBVFJZRIIIHR-ZFWWWQNUSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330671059 427286844 /nfs/dbraw/zinc/28/68/44/427286844.db2.gz MJYOJMIOWKQFMH-OCCSQVGLSA-N 1 0 307.394 2.566 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000183390906 427260670 /nfs/dbraw/zinc/26/06/70/427260670.db2.gz BHGDBQCSXVAENF-GJZGRUSLSA-N 1 0 308.403 2.610 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285540147 427266861 /nfs/dbraw/zinc/26/68/61/427266861.db2.gz LLUPKTXEKDVXNP-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296916714 427277185 /nfs/dbraw/zinc/27/71/85/427277185.db2.gz YVMAYDJNTOQXFT-UHFFFAOYSA-N 1 0 324.356 2.648 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285587530 427281896 /nfs/dbraw/zinc/28/18/96/427281896.db2.gz OSIOPELUWVZBOJ-GXTWGEPZSA-N 1 0 307.369 2.793 20 5 DFBDRO CCC[C@@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1 ZINC000285659891 427302897 /nfs/dbraw/zinc/30/28/97/427302897.db2.gz SUYNEYUKDDMNOJ-MRXNPFEDSA-N 1 0 322.361 2.510 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H](O)Cc1ccccc1 ZINC000293367491 427304206 /nfs/dbraw/zinc/30/42/06/427304206.db2.gz ORIQQGKBPOEBHH-SFHVURJKSA-N 1 0 314.385 2.673 20 5 DFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000285704648 427317143 /nfs/dbraw/zinc/31/71/43/427317143.db2.gz WDWFJXSRVWIWNU-QGZVFWFLSA-N 1 0 300.358 2.980 20 5 DFBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)Cc2ccccc21 ZINC000270348583 427330319 /nfs/dbraw/zinc/33/03/19/427330319.db2.gz HBMQFXXFLOQWFR-UHFFFAOYSA-N 1 0 300.362 2.585 20 5 DFBDRO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H]1C[NH3+] ZINC000261837339 427342029 /nfs/dbraw/zinc/34/20/29/427342029.db2.gz CEACZZHLHMUFKA-BDJLRTHQSA-N 1 0 300.362 2.707 20 5 DFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000277696390 427288069 /nfs/dbraw/zinc/28/80/69/427288069.db2.gz VWCBAIGAYPFARC-OAHLLOKOSA-N 1 0 318.377 2.733 20 5 DFBDRO CC(C)N(CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271021825 427375909 /nfs/dbraw/zinc/37/59/09/427375909.db2.gz CEDDFTUZBLPDFI-UHFFFAOYSA-N 1 0 321.402 2.921 20 5 DFBDRO CCn1ccnc1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000297296711 427391583 /nfs/dbraw/zinc/39/15/83/427391583.db2.gz UPILXRNTSDNJJO-UHFFFAOYSA-N 1 0 316.361 2.666 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286013238 427402390 /nfs/dbraw/zinc/40/23/90/427402390.db2.gz FGQWFKRMWFMFEX-SNVBAGLBSA-N 1 0 321.406 2.886 20 5 DFBDRO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097703 427403534 /nfs/dbraw/zinc/40/35/34/427403534.db2.gz NNDMKVFHHSKZDC-YPMHNXCESA-N 1 0 323.368 2.663 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000191680405 427403941 /nfs/dbraw/zinc/40/39/41/427403941.db2.gz OBDJTHVLAMYUKH-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297444995 427405145 /nfs/dbraw/zinc/40/51/45/427405145.db2.gz IYYOQSHWHDZSSC-DGCLKSJQSA-N 1 0 315.377 2.534 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)c1 ZINC000277941099 427366681 /nfs/dbraw/zinc/36/66/81/427366681.db2.gz RQYTVFNQJGGUQH-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262712966 427367726 /nfs/dbraw/zinc/36/77/26/427367726.db2.gz CYIPQRUWAZNPBV-RISCZKNCSA-N 1 0 319.405 2.620 20 5 DFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286305915 427487770 /nfs/dbraw/zinc/48/77/70/427487770.db2.gz VVSGVQBPDHRNDT-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000293919160 427487754 /nfs/dbraw/zinc/48/77/54/427487754.db2.gz XSTUGAFGMLGRRG-SJKOYZFVSA-N 1 0 318.348 2.988 20 5 DFBDRO CCOc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000338742746 427464998 /nfs/dbraw/zinc/46/49/98/427464998.db2.gz HEKKTGGALRVTQJ-KRWDZBQOSA-N 1 0 319.405 2.916 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[N@H+](C)CC1 ZINC000297884236 427475808 /nfs/dbraw/zinc/47/58/08/427475808.db2.gz NOYLQYSPTXPENT-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000278862447 427482366 /nfs/dbraw/zinc/48/23/66/427482366.db2.gz RGAGDBKEAQQEJB-DUVNUKRYSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000286093444 427425268 /nfs/dbraw/zinc/42/52/68/427425268.db2.gz SXIHUGGOOPFPFT-STPIAKFDSA-N 1 0 310.419 2.887 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000338676816 427434162 /nfs/dbraw/zinc/43/41/62/427434162.db2.gz PDCFTDZYFLSBQO-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293798545 427439293 /nfs/dbraw/zinc/43/92/93/427439293.db2.gz RAHKNKAXLXLNSD-GFCCVEGCSA-N 1 0 307.394 2.913 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000338797202 427494189 /nfs/dbraw/zinc/49/41/89/427494189.db2.gz XRWKQLYQZHITFD-KGLIPLIRSA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H](C)[NH+]1C ZINC000338795859 427494446 /nfs/dbraw/zinc/49/44/46/427494446.db2.gz PWCMFNOXQHORTO-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286364056 427505772 /nfs/dbraw/zinc/50/57/72/427505772.db2.gz GAIGWLOAPXFIKH-NEPJUHHUSA-N 1 0 318.295 2.588 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278989923 427523849 /nfs/dbraw/zinc/52/38/49/427523849.db2.gz DXGPTQNEGYPIAP-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H](CO)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271406924 427526071 /nfs/dbraw/zinc/52/60/71/427526071.db2.gz ABDLBCMWOPETCK-CJNGLKHVSA-N 1 0 306.406 2.914 20 5 DFBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184771752 427536268 /nfs/dbraw/zinc/53/62/68/427536268.db2.gz VFKPZKAXLNNKEB-LSDHHAIUSA-N 1 0 320.345 2.507 20 5 DFBDRO CC(=O)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286518800 427536870 /nfs/dbraw/zinc/53/68/70/427536870.db2.gz ZLMUVMVZURCMRP-WFASDCNBSA-N 1 0 317.389 2.860 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000286608430 427537449 /nfs/dbraw/zinc/53/74/49/427537449.db2.gz VEZAARLPWSTCHX-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO CC[NH+](CC)CC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000338911108 427552800 /nfs/dbraw/zinc/55/28/00/427552800.db2.gz IAFRUQIETSVVRO-UHFFFAOYSA-N 1 0 321.421 2.854 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454863 427614892 /nfs/dbraw/zinc/61/48/92/427614892.db2.gz GGOVBWRKPSNFLG-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+](C)C1CC1 ZINC000263955569 427618474 /nfs/dbraw/zinc/61/84/74/427618474.db2.gz SJUAONVTUUNJIR-JTQLQIEISA-N 1 0 317.345 2.554 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279270637 427620882 /nfs/dbraw/zinc/62/08/82/427620882.db2.gz NJUWTYRSZPBQRN-ZWNOBZJWSA-N 1 0 302.334 2.923 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000263746270 427557371 /nfs/dbraw/zinc/55/73/71/427557371.db2.gz FYGKRSREJZVMBQ-FNORWQNLSA-N 1 0 312.373 2.931 20 5 DFBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263769461 427564197 /nfs/dbraw/zinc/56/41/97/427564197.db2.gz CIXNKVIAHAHXQO-AAEUAGOBSA-N 1 0 300.362 2.741 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271509741 427566732 /nfs/dbraw/zinc/56/67/32/427566732.db2.gz NAZJCVWXFPCWAN-BXKDBHETSA-N 1 0 306.284 2.867 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(C)(C)CCCO ZINC000271521189 427569664 /nfs/dbraw/zinc/56/96/64/427569664.db2.gz MWNRHWAJSLSKTC-UHFFFAOYSA-N 1 0 310.394 2.882 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332290753 427571441 /nfs/dbraw/zinc/57/14/41/427571441.db2.gz JIZYLFLQKZNXJB-AAEUAGOBSA-N 1 0 301.350 2.654 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332326182 427580200 /nfs/dbraw/zinc/58/02/00/427580200.db2.gz OLRYFHDCESWMCP-NWDGAFQWSA-N 1 0 301.350 2.654 20 5 DFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271740577 427583953 /nfs/dbraw/zinc/58/39/53/427583953.db2.gz CBYKMMUILAZVPX-QWHCGFSZSA-N 1 0 307.394 2.892 20 5 DFBDRO COCCO[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000338951826 427584392 /nfs/dbraw/zinc/58/43/92/427584392.db2.gz CHWQATXZEIJRTK-HQQUCIOCSA-N 1 0 320.389 2.735 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279204361 427596290 /nfs/dbraw/zinc/59/62/90/427596290.db2.gz GJPROBARONTEMR-MFKMUULPSA-N 1 0 302.334 2.923 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192742371 427599656 /nfs/dbraw/zinc/59/96/56/427599656.db2.gz TVSZWDDQJGQYFT-MLGOLLRUSA-N 1 0 319.405 2.867 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287558223 427638529 /nfs/dbraw/zinc/63/85/29/427638529.db2.gz WSTCIIGWYPLHRN-UKRRQHHQSA-N 1 0 317.389 2.600 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287572594 427645170 /nfs/dbraw/zinc/64/51/70/427645170.db2.gz GXIMRLMSQOAKBQ-AAEUAGOBSA-N 1 0 318.295 2.837 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000279396365 427661280 /nfs/dbraw/zinc/66/12/80/427661280.db2.gz ZFXDHLWUWOESBH-GMXVVIOVSA-N 1 0 321.377 2.709 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000272184005 427664985 /nfs/dbraw/zinc/66/49/85/427664985.db2.gz TVJQMJSJPJFDAS-LBPRGKRZSA-N 1 0 320.393 2.789 20 5 DFBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000343068688 272082591 /nfs/dbraw/zinc/08/25/91/272082591.db2.gz VPVZABMHIBSDKG-CHWSQXEVSA-N 1 0 305.378 2.588 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000343228589 272100152 /nfs/dbraw/zinc/10/01/52/272100152.db2.gz KSKSHYRVNJUNAE-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H](C)C1 ZINC000343282761 272112727 /nfs/dbraw/zinc/11/27/27/272112727.db2.gz IXUSIUZOZQTDAJ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1nc(N2CC([N@H+](C)Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000343605462 272182259 /nfs/dbraw/zinc/18/22/59/272182259.db2.gz JDDVJRHUWXMGRE-UHFFFAOYSA-N 1 0 312.373 2.619 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000193216475 427676575 /nfs/dbraw/zinc/67/65/75/427676575.db2.gz FTMFOBUMNYZEMK-AAEUAGOBSA-N 1 0 322.386 2.747 20 5 DFBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343803563 272222795 /nfs/dbraw/zinc/22/27/95/272222795.db2.gz HDZJESMRMAITHA-IUODEOHRSA-N 1 0 315.377 2.797 20 5 DFBDRO CC[C@@H](CO)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295069259 427679982 /nfs/dbraw/zinc/67/99/82/427679982.db2.gz HGEVADNYIQMNIV-ZDUSSCGKSA-N 1 0 321.402 2.921 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344025459 272250525 /nfs/dbraw/zinc/25/05/25/272250525.db2.gz YYAJGJXITWRUGS-ZDUSSCGKSA-N 1 0 303.362 2.574 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344204359 272286718 /nfs/dbraw/zinc/28/67/18/272286718.db2.gz GSQYXDZXGNIDPI-ZDUSSCGKSA-N 1 0 305.378 2.562 20 5 DFBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)nc1 ZINC000344331912 272314309 /nfs/dbraw/zinc/31/43/09/272314309.db2.gz XXUIQKGLZGMDBB-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000344425847 272330331 /nfs/dbraw/zinc/33/03/31/272330331.db2.gz WQESDTZEPVQZLK-ZFWWWQNUSA-N 1 0 322.409 2.539 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000344608377 272346719 /nfs/dbraw/zinc/34/67/19/272346719.db2.gz GCZHKAPBKWBJFB-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344738693 272363329 /nfs/dbraw/zinc/36/33/29/272363329.db2.gz ZSXGCVUNQLQJJT-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000344737017 272363463 /nfs/dbraw/zinc/36/34/63/272363463.db2.gz XPISZTZFISOHAX-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cn1cccn1 ZINC000344793753 272370088 /nfs/dbraw/zinc/37/00/88/272370088.db2.gz PGKMVVAMNBHUQJ-RNQWEJQRSA-N 1 0 300.362 2.873 20 5 DFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344796488 272370674 /nfs/dbraw/zinc/37/06/74/272370674.db2.gz OQQFYRYNCIEKFV-ORVLFJDJSA-N 1 0 317.389 2.502 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000344820019 272375009 /nfs/dbraw/zinc/37/50/09/272375009.db2.gz WJLGMZFBULLMJZ-BMQCOBNYSA-N 1 0 312.373 2.799 20 5 DFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677238 427689067 /nfs/dbraw/zinc/68/90/67/427689067.db2.gz KAGOUMPWENKCNS-ABAIWWIYSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000298726820 427690200 /nfs/dbraw/zinc/69/02/00/427690200.db2.gz BIBBFNLIOWLCLB-ZIAGYGMSSA-N 1 0 319.405 2.955 20 5 DFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000295100689 427690890 /nfs/dbraw/zinc/69/08/90/427690890.db2.gz SRZULGORKAOTIG-FXOGGVSJSA-N 1 0 300.305 2.602 20 5 DFBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295100687 427692559 /nfs/dbraw/zinc/69/25/59/427692559.db2.gz SRZULGORKAOTIG-BVKQBWKVSA-N 1 0 300.305 2.602 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000339132067 427693395 /nfs/dbraw/zinc/69/33/95/427693395.db2.gz NAEZVRCUTFCVCE-ZDUSSCGKSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109621 427697913 /nfs/dbraw/zinc/69/79/13/427697913.db2.gz KXQCLZYCZGLHOE-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000299133246 427754537 /nfs/dbraw/zinc/75/45/37/427754537.db2.gz DVHYJPWUJGBVJM-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)c1 ZINC000299163875 427758196 /nfs/dbraw/zinc/75/81/96/427758196.db2.gz NDUIQRGNLKDBBE-HNNXBMFYSA-N 1 0 318.348 2.675 20 5 DFBDRO CC(=O)c1ccc(N2CCC(c3ncc[nH]3)CC2)c([N+](=O)[O-])c1 ZINC000299524850 427766552 /nfs/dbraw/zinc/76/65/52/427766552.db2.gz LVZYLUCTNCLEHF-UHFFFAOYSA-N 1 0 314.345 2.905 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@H+](C)C2CCCC2)c1 ZINC000336871979 427769135 /nfs/dbraw/zinc/76/91/35/427769135.db2.gz JQEZRIJOTNJBDP-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301063123 427773006 /nfs/dbraw/zinc/77/30/06/427773006.db2.gz CEOPXHJLJBTPQB-LLVKDONJSA-N 1 0 308.338 2.647 20 5 DFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3cccnc23)CC1 ZINC000301093738 427775102 /nfs/dbraw/zinc/77/51/02/427775102.db2.gz GJFUOEMOUPDWOI-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO Cc1nn(C)c(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301099357 427775336 /nfs/dbraw/zinc/77/53/36/427775336.db2.gz QOFBDUGSURDRLC-NHYWBVRUSA-N 1 0 309.414 2.559 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000301178585 427780281 /nfs/dbraw/zinc/78/02/81/427780281.db2.gz GYCUEGACLCEQKJ-BETUJISGSA-N 1 0 322.409 2.598 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000301345727 427790253 /nfs/dbraw/zinc/79/02/53/427790253.db2.gz GRMFYHHPGSTVIY-LLVKDONJSA-N 1 0 313.785 2.628 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000299050471 427742736 /nfs/dbraw/zinc/74/27/36/427742736.db2.gz HNPCHZLEZOYKIT-CYBMUJFWSA-N 1 0 305.378 2.941 20 5 DFBDRO Cc1cc(N[C@@H](C)CC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000336667479 427745574 /nfs/dbraw/zinc/74/55/74/427745574.db2.gz ABZUIZORUHYPSJ-QMMMGPOBSA-N 1 0 302.172 2.815 20 5 DFBDRO Cc1ccnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000336705018 427747338 /nfs/dbraw/zinc/74/73/38/427747338.db2.gz HQINOAMWYROGSY-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000336717842 427751213 /nfs/dbraw/zinc/75/12/13/427751213.db2.gz QRHJOJCSFOJYQX-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1cc(N2CC[NH+](C3CCC(C)CC3)CC2)ncc1[N+](=O)[O-] ZINC000301423941 427795356 /nfs/dbraw/zinc/79/53/56/427795356.db2.gz GHAJNWLSGMKCMH-UHFFFAOYSA-N 1 0 318.421 2.999 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339589710 427797808 /nfs/dbraw/zinc/79/78/08/427797808.db2.gz JJFJGIANAKCLEI-GJZGRUSLSA-N 1 0 318.352 2.976 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561288 427805470 /nfs/dbraw/zinc/80/54/70/427805470.db2.gz IMVIKHMPGLXERZ-AAEUAGOBSA-N 1 0 320.349 2.566 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000301589911 427808117 /nfs/dbraw/zinc/80/81/17/427808117.db2.gz YHNSAHSCWGJTMQ-CQSZACIVSA-N 1 0 307.394 2.672 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000339725097 427818786 /nfs/dbraw/zinc/81/87/86/427818786.db2.gz DYUJGWLYIKSFGH-INIZCTEOSA-N 1 0 322.405 2.880 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000301721081 427818937 /nfs/dbraw/zinc/81/89/37/427818937.db2.gz QFNZMPJWEYCKMF-FZMZJTMJSA-N 1 0 323.368 2.663 20 5 DFBDRO CO[C@H](C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000337241304 427822375 /nfs/dbraw/zinc/82/23/75/427822375.db2.gz FZBYIXZJNPJYEK-CYBMUJFWSA-N 1 0 323.393 2.669 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCOC[C@@H]2CC2CCC2)c1 ZINC000339774148 427826552 /nfs/dbraw/zinc/82/65/52/427826552.db2.gz DVIVDOFLYIDBSA-INIZCTEOSA-N 1 0 320.389 2.865 20 5 DFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)CC1 ZINC000301870238 427832162 /nfs/dbraw/zinc/83/21/62/427832162.db2.gz IMRRFCGVIBGPGX-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000302781523 427868998 /nfs/dbraw/zinc/86/89/98/427868998.db2.gz RWMPEZPUBNAOOJ-NSHDSACASA-N 1 0 315.320 2.727 20 5 DFBDRO CC[N@H+](C)[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000302784882 427870806 /nfs/dbraw/zinc/87/08/06/427870806.db2.gz UXZONKMAEVTCOE-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COCC[N@@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302786110 427871768 /nfs/dbraw/zinc/87/17/68/427871768.db2.gz VUPFXAUFAGSHDA-LLVKDONJSA-N 1 0 313.785 2.628 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359524826 427890467 /nfs/dbraw/zinc/89/04/67/427890467.db2.gz FSIDVQUCMJPAHS-CQSZACIVSA-N 1 0 323.368 2.680 20 5 DFBDRO CC[NH+](CC)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000340602968 427900040 /nfs/dbraw/zinc/90/00/40/427900040.db2.gz AWLLQQJHHPYNOH-UHFFFAOYSA-N 1 0 320.418 3.472 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000340055248 427915027 /nfs/dbraw/zinc/91/50/27/427915027.db2.gz UVXXEAMCQPVVIA-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000355856125 427923431 /nfs/dbraw/zinc/92/34/31/427923431.db2.gz JJENYNJNALFNJA-UHFFFAOYSA-N 1 0 313.423 2.847 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359457425 427859679 /nfs/dbraw/zinc/85/96/79/427859679.db2.gz NLGXPTIIFCMBBO-STQMWFEESA-N 1 0 313.357 2.506 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341102915 427989891 /nfs/dbraw/zinc/98/98/91/427989891.db2.gz MHOSHFXUTIUXSA-CHWSQXEVSA-N 1 0 322.409 2.685 20 5 DFBDRO CC[N@H+](CCOCCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000337487874 427929528 /nfs/dbraw/zinc/92/95/28/427929528.db2.gz UGRYAWZFSQVXTG-UHFFFAOYSA-N 1 0 310.394 2.549 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000345905201 427946086 /nfs/dbraw/zinc/94/60/86/427946086.db2.gz LTMOSTWKRADPKA-QWHCGFSZSA-N 1 0 319.405 2.712 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347267369 272761578 /nfs/dbraw/zinc/76/15/78/272761578.db2.gz PWFGXGIFYDVWBF-JTQLQIEISA-N 1 0 312.345 2.586 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)nn1C ZINC000341365741 428048593 /nfs/dbraw/zinc/04/85/93/428048593.db2.gz QVYQYILVMKITTE-KPKJPENVSA-N 1 0 300.362 2.830 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+]1CCCCC1 ZINC000356174650 428052531 /nfs/dbraw/zinc/05/25/31/428052531.db2.gz RQRBGYMQHRLTHL-LLVKDONJSA-N 1 0 310.373 2.850 20 5 DFBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccsc2)ncc1[N+](=O)[O-] ZINC000413460376 428054285 /nfs/dbraw/zinc/05/42/85/428054285.db2.gz UDOHTFIHGPFBOR-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC[N@H+]2CC=CCC2)c(C(F)(F)F)c1 ZINC000413267715 428007086 /nfs/dbraw/zinc/00/70/86/428007086.db2.gz NJIJASSXJMEKLZ-UHFFFAOYSA-N 1 0 316.283 2.682 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)[C@H](C)C1 ZINC000413281784 428010618 /nfs/dbraw/zinc/01/06/18/428010618.db2.gz NWBLYKGHBBGLOF-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccoc1 ZINC000341454214 428069653 /nfs/dbraw/zinc/06/96/53/428069653.db2.gz JLJNUTXOIGMOFL-LLVKDONJSA-N 1 0 303.318 2.695 20 5 DFBDRO CC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413571129 428083816 /nfs/dbraw/zinc/08/38/16/428083816.db2.gz PPRSTNOJABHOND-QMMMGPOBSA-N 1 0 304.272 2.515 20 5 DFBDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000369884425 428084551 /nfs/dbraw/zinc/08/45/51/428084551.db2.gz ZIDKDJFECDEAHQ-CYBMUJFWSA-N 1 0 312.369 2.775 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000356247070 428087909 /nfs/dbraw/zinc/08/79/09/428087909.db2.gz BYSIKCHZIWURRY-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H](CO)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000351517624 428096685 /nfs/dbraw/zinc/09/66/85/428096685.db2.gz OQPVJOBNHNPDLB-ZDUSSCGKSA-N 1 0 308.378 2.599 20 5 DFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000370006856 428108620 /nfs/dbraw/zinc/10/86/20/428108620.db2.gz INLKCJAWUSVHSR-GFCCVEGCSA-N 1 0 318.352 2.532 20 5 DFBDRO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1c1ccccc1 ZINC000370046247 428118569 /nfs/dbraw/zinc/11/85/69/428118569.db2.gz QMRTWJXFOXXPKF-ZFWWWQNUSA-N 1 0 314.389 2.954 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000370049962 428121098 /nfs/dbraw/zinc/12/10/98/428121098.db2.gz MAFREXZLHCKZNH-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)c1 ZINC000377395598 428121278 /nfs/dbraw/zinc/12/12/78/428121278.db2.gz FSQGHIQSNYJYBJ-DJIMGWMZSA-N 1 0 312.373 2.984 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535353 428140271 /nfs/dbraw/zinc/14/02/71/428140271.db2.gz POTOWVUUQKCVDA-KRWDZBQOSA-N 1 0 319.405 2.569 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540526 428141077 /nfs/dbraw/zinc/14/10/77/428141077.db2.gz MFVWGASVULMEBV-HNNXBMFYSA-N 1 0 321.421 2.767 20 5 DFBDRO COc1cc(C[N@H+](C)CCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352545563 428144206 /nfs/dbraw/zinc/14/42/06/428144206.db2.gz KAYQTLRNFRXYDR-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556397 428148818 /nfs/dbraw/zinc/14/88/18/428148818.db2.gz ZHUCTXHAVVCEAJ-OAHLLOKOSA-N 1 0 321.421 2.767 20 5 DFBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c(F)cc1[N+](=O)[O-] ZINC000360087525 428156911 /nfs/dbraw/zinc/15/69/11/428156911.db2.gz DUXOEZZMWZTOQY-CQSZACIVSA-N 1 0 313.398 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)cc1OC(F)F ZINC000360092095 428159750 /nfs/dbraw/zinc/15/97/50/428159750.db2.gz CFUYUSZCHCQEBI-UHFFFAOYSA-N 1 0 313.304 2.870 20 5 DFBDRO CC(C)[C@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377628181 428176627 /nfs/dbraw/zinc/17/66/27/428176627.db2.gz NQIUUMWKAZVEKQ-MRXNPFEDSA-N 1 0 319.361 2.576 20 5 DFBDRO COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000414100357 428205653 /nfs/dbraw/zinc/20/56/53/428205653.db2.gz RKHIZXKZDGQMIM-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[C@@H]1O ZINC000352691355 428206279 /nfs/dbraw/zinc/20/62/79/428206279.db2.gz GJVMLMFKKUHPJN-GJZGRUSLSA-N 1 0 317.345 2.595 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352699833 428212484 /nfs/dbraw/zinc/21/24/84/428212484.db2.gz SGHCCDLDLRFECB-GJZGRUSLSA-N 1 0 308.378 2.727 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360230064 428212743 /nfs/dbraw/zinc/21/27/43/428212743.db2.gz MAJDWBLZYSEKSU-RHSMWYFYSA-N 1 0 319.405 2.816 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749486 428217456 /nfs/dbraw/zinc/21/74/56/428217456.db2.gz ZUCCXRUMIMKRHQ-KBRIMQKVSA-N 1 0 319.405 2.896 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2nccs2)ccc1[N+](=O)[O-] ZINC000352768552 428241096 /nfs/dbraw/zinc/24/10/96/428241096.db2.gz IWEHBBSMVCDYMA-UHFFFAOYSA-N 1 0 307.375 2.734 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352660884 428189592 /nfs/dbraw/zinc/18/95/92/428189592.db2.gz PVTTWZHLSNWAJZ-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[NH+](CC)CCCC1CCN(c2c([N+](=O)[O-])ncn2C)CC1 ZINC000360174295 428191066 /nfs/dbraw/zinc/19/10/66/428191066.db2.gz JCWLHWRHKDZGFL-UHFFFAOYSA-N 1 0 323.441 2.667 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000346490665 428193207 /nfs/dbraw/zinc/19/32/07/428193207.db2.gz SZBGCQVAWHZDTP-STQMWFEESA-N 1 0 320.393 2.850 20 5 DFBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000377945633 428269119 /nfs/dbraw/zinc/26/91/19/428269119.db2.gz PVSKZOAPFULJRQ-WMLDXEAASA-N 1 0 314.389 2.917 20 5 DFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346689233 428274081 /nfs/dbraw/zinc/27/40/81/428274081.db2.gz PYJSJPKYROZBLT-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865905 428288332 /nfs/dbraw/zinc/28/83/32/428288332.db2.gz FNFJRRKHTMWKRK-HOCLYGCPSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889398 428298824 /nfs/dbraw/zinc/29/88/24/428298824.db2.gz YLQHKXYHHFZLPP-LSDHHAIUSA-N 1 0 322.405 2.989 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000356748957 428292794 /nfs/dbraw/zinc/29/27/94/428292794.db2.gz WZEVZYYMWJUYND-NSHDSACASA-N 1 0 319.361 2.800 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000352884266 428296292 /nfs/dbraw/zinc/29/62/92/428296292.db2.gz RORDGAXOKUZWJD-QWHCGFSZSA-N 1 0 320.393 2.850 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@H]1c1ccccc1 ZINC000377836663 428242171 /nfs/dbraw/zinc/24/21/71/428242171.db2.gz DDYWDUXXWFAZLZ-UWWQBHOKSA-N 1 0 324.384 2.729 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773688 428243514 /nfs/dbraw/zinc/24/35/14/428243514.db2.gz UFCHADOYMZORIJ-HIFRSBDPSA-N 1 0 321.421 2.766 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H](CO)C2)ccc1[N+](=O)[O-] ZINC000370621371 428255072 /nfs/dbraw/zinc/25/50/72/428255072.db2.gz DKNWAIULLQMACO-CQSZACIVSA-N 1 0 308.378 2.588 20 5 DFBDRO O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000370890843 428315132 /nfs/dbraw/zinc/31/51/32/428315132.db2.gz GUURWTPBCGVQQD-INIZCTEOSA-N 1 0 317.389 2.572 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356805616 428315644 /nfs/dbraw/zinc/31/56/44/428315644.db2.gz MAERDMYIFQZXGS-GFCCVEGCSA-N 1 0 307.394 2.616 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225048 428341430 /nfs/dbraw/zinc/34/14/30/428341430.db2.gz KRYVRIDLOZLKBO-NEPJUHHUSA-N 1 0 323.418 2.569 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154913843 273641671 /nfs/dbraw/zinc/64/16/71/273641671.db2.gz IQKCCHOHMUDGMG-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1 ZINC000371065748 428352455 /nfs/dbraw/zinc/35/24/55/428352455.db2.gz QGBHPVYPBBNESM-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346993762 428399186 /nfs/dbraw/zinc/39/91/86/428399186.db2.gz APUWMAIRUASIGJ-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC([NH3+])C1 ZINC000414780839 428403006 /nfs/dbraw/zinc/40/30/06/428403006.db2.gz UKISPYAMEQDMBR-UHFFFAOYSA-N 1 0 301.346 2.776 20 5 DFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353171183 428414292 /nfs/dbraw/zinc/41/42/92/428414292.db2.gz SDJXAYLXQJAZJC-FUNVUKJBSA-N 1 0 307.369 2.791 20 5 DFBDRO CC(C)[C@H]([NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414785928 428409298 /nfs/dbraw/zinc/40/92/98/428409298.db2.gz AEGZXRYLRWSDDT-OAHLLOKOSA-N 1 0 303.362 2.928 20 5 DFBDRO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000414629621 428357585 /nfs/dbraw/zinc/35/75/85/428357585.db2.gz RFIWNOKEAYEKGK-NWDGAFQWSA-N 1 0 300.318 2.587 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2C[C@H]2C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342227663 428357736 /nfs/dbraw/zinc/35/77/36/428357736.db2.gz KMDKZWLXAARVMM-OLZOCXBDSA-N 1 0 322.315 2.739 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414639110 428363878 /nfs/dbraw/zinc/36/38/78/428363878.db2.gz DYKWOUSFHKVVSP-SNVBAGLBSA-N 1 0 304.350 2.919 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414665135 428367903 /nfs/dbraw/zinc/36/79/03/428367903.db2.gz UOHKONHJXGSRHW-AAEUAGOBSA-N 1 0 306.366 2.542 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000378352784 428374237 /nfs/dbraw/zinc/37/42/37/428374237.db2.gz XBEHUBBPHLMIEO-SEJWUHKESA-N 1 0 301.390 2.778 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000342277530 428379478 /nfs/dbraw/zinc/37/94/78/428379478.db2.gz DPUMCGSLJXNILS-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000378368423 428380298 /nfs/dbraw/zinc/38/02/98/428380298.db2.gz HKMAUJKTJFSZBH-ZDUSSCGKSA-N 1 0 306.362 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)c(Cl)c1 ZINC000342286771 428385488 /nfs/dbraw/zinc/38/54/88/428385488.db2.gz TUMBUPAHDMBPSD-ZDUSSCGKSA-N 1 0 321.764 2.509 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CCC[NH2+]C2)o1 ZINC000414872684 428439862 /nfs/dbraw/zinc/43/98/62/428439862.db2.gz WQKOHMWBLRFJOB-LBPRGKRZSA-N 1 0 301.346 2.696 20 5 DFBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347093034 428442284 /nfs/dbraw/zinc/44/22/84/428442284.db2.gz GOEFKTINBCNDBA-AWEZNQCLSA-N 1 0 301.346 2.778 20 5 DFBDRO Cc1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000347098482 428443758 /nfs/dbraw/zinc/44/37/58/428443758.db2.gz IUBHXWWBJGJFFU-UHFFFAOYSA-N 1 0 303.406 2.867 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1 ZINC000378514336 428417508 /nfs/dbraw/zinc/41/75/08/428417508.db2.gz AZEJJCHMHHJDPJ-KRWDZBQOSA-N 1 0 316.332 2.827 20 5 DFBDRO CCC([NH3+])(CC)CNCc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414810558 428419736 /nfs/dbraw/zinc/41/97/36/428419736.db2.gz XTKFAVOONCIZBT-UHFFFAOYSA-N 1 0 317.336 2.803 20 5 DFBDRO C[N@H+](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C1CCCCC1 ZINC000357190285 428425906 /nfs/dbraw/zinc/42/59/06/428425906.db2.gz VYNWQSMCCHDZKN-UHFFFAOYSA-N 1 0 317.393 2.569 20 5 DFBDRO COC[C@@]1(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414948820 428469941 /nfs/dbraw/zinc/46/99/41/428469941.db2.gz YFDLKSMWPKNPCP-KRWDZBQOSA-N 1 0 321.421 2.576 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCNCC2(F)F)c(Cl)c1 ZINC000415006595 428488285 /nfs/dbraw/zinc/48/82/85/428488285.db2.gz UBQFPZXEZJXMHG-JTQLQIEISA-N 1 0 319.739 2.583 20 5 DFBDRO COc1ccc(-c2ccc(CN[C@@H](C)[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024157 428489899 /nfs/dbraw/zinc/48/98/99/428489899.db2.gz YCUGXTPVTNEKQC-QWRGUYRKSA-N 1 0 319.361 2.689 20 5 DFBDRO Cc1cc(N2CCn3ccnc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360923377 428494177 /nfs/dbraw/zinc/49/41/77/428494177.db2.gz AFLGHOGJOWJEGV-UHFFFAOYSA-N 1 0 309.329 2.668 20 5 DFBDRO Cc1cc(NCCNc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360948090 428504068 /nfs/dbraw/zinc/50/40/68/428504068.db2.gz ZMFGIBYITZHZPW-UHFFFAOYSA-N 1 0 323.356 2.792 20 5 DFBDRO Cc1c(C(=O)N(CCC[NH3+])CC2CCCC2)cccc1[N+](=O)[O-] ZINC000357385849 428508367 /nfs/dbraw/zinc/50/83/67/428508367.db2.gz YDWDMFJHGMJZCW-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000360959093 428510874 /nfs/dbraw/zinc/51/08/74/428510874.db2.gz FCRQIJAAKIICAW-RYUDHWBXSA-N 1 0 309.414 2.652 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(C[NH+](C)C)CC1 ZINC000360965259 428514125 /nfs/dbraw/zinc/51/41/25/428514125.db2.gz DBKQEQVZUNOQSJ-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000347256403 428515371 /nfs/dbraw/zinc/51/53/71/428515371.db2.gz GVDHOZCMPBWGMS-GHMZBOCLSA-N 1 0 324.356 2.680 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](CC(C)C)CC1 ZINC000360881855 428476919 /nfs/dbraw/zinc/47/69/19/428476919.db2.gz XBZXKQADXYLZMA-UHFFFAOYSA-N 1 0 309.414 2.652 20 5 DFBDRO Cn1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358240386 428591991 /nfs/dbraw/zinc/59/19/91/428591991.db2.gz QUEAZIBIUVKGSU-XJKSGUPXSA-N 1 0 314.389 2.829 20 5 DFBDRO COc1ccc(F)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000361122855 428537898 /nfs/dbraw/zinc/53/78/98/428537898.db2.gz LRBYPQXZXDFXGE-UHFFFAOYSA-N 1 0 319.336 2.708 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCCCCC[NH+]1CCCCC1 ZINC000347307401 428539058 /nfs/dbraw/zinc/53/90/58/428539058.db2.gz JFXAUXKZARLVHZ-UHFFFAOYSA-N 1 0 306.410 3.366 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000343252649 428541289 /nfs/dbraw/zinc/54/12/89/428541289.db2.gz RDBQFBONHUACPV-AAEUAGOBSA-N 1 0 318.377 3.433 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000357585603 428547455 /nfs/dbraw/zinc/54/74/55/428547455.db2.gz QQJCTVDSHRPREG-LLVKDONJSA-N 1 0 323.780 2.523 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000357581580 428548789 /nfs/dbraw/zinc/54/87/89/428548789.db2.gz MWSDMWKGZNDLOK-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DFBDRO CC[N@H+](CCC(=O)OC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347331513 428549572 /nfs/dbraw/zinc/54/95/72/428549572.db2.gz FKDSMBCLKCSYPN-JLHYYAGUSA-N 1 0 306.362 2.883 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377113 428563371 /nfs/dbraw/zinc/56/33/71/428563371.db2.gz IIYTYCLWRKJABC-ZBFHGGJFSA-N 1 0 317.389 2.684 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415298660 428565081 /nfs/dbraw/zinc/56/50/81/428565081.db2.gz PKJXHZYNMVHDGO-HZMBPMFUSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000415411671 428579152 /nfs/dbraw/zinc/57/91/52/428579152.db2.gz BLYAGENDQLDPCA-RISCZKNCSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415580258 428598098 /nfs/dbraw/zinc/59/80/98/428598098.db2.gz LLZZWUHHIAMZJZ-CYBMUJFWSA-N 1 0 320.393 2.804 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415584220 428598169 /nfs/dbraw/zinc/59/81/69/428598169.db2.gz SFYXAHCNPDIPTK-CHWSQXEVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415589987 428600888 /nfs/dbraw/zinc/60/08/88/428600888.db2.gz ZNTINSNAAXHSQW-UHFFFAOYSA-N 1 0 308.382 2.660 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)ccn1 ZINC000347563099 428604286 /nfs/dbraw/zinc/60/42/86/428604286.db2.gz SYXUNRUOBXZORF-LLVKDONJSA-N 1 0 317.345 2.858 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408147643 428609176 /nfs/dbraw/zinc/60/91/76/428609176.db2.gz HBXPFWBAWVUOPP-QWHCGFSZSA-N 1 0 320.393 2.768 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347578504 428609236 /nfs/dbraw/zinc/60/92/36/428609236.db2.gz ICSVFLRITAPLGK-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000053204890 273971936 /nfs/dbraw/zinc/97/19/36/273971936.db2.gz BMDPYUNYZFYJTG-SNVBAGLBSA-N 1 0 314.183 2.546 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000344031797 428612250 /nfs/dbraw/zinc/61/22/50/428612250.db2.gz CYRXAZCIZZHRSQ-GOEBONIOSA-N 1 0 320.389 2.623 20 5 DFBDRO COCC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000361289179 274017586 /nfs/dbraw/zinc/01/75/86/274017586.db2.gz PHFYWHBBCRKBIF-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO COCC[N@H+](C)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000102198236 274023608 /nfs/dbraw/zinc/02/36/08/274023608.db2.gz CJLHRNDRUVMHHT-UHFFFAOYSA-N 1 0 321.299 2.604 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000301378859 274095848 /nfs/dbraw/zinc/09/58/48/274095848.db2.gz YZYCOIIMGBIVBE-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000358741168 428651778 /nfs/dbraw/zinc/65/17/78/428651778.db2.gz DMFPUAAEQYENIT-CQSZACIVSA-N 1 0 300.362 2.538 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302015032 274292824 /nfs/dbraw/zinc/29/28/24/274292824.db2.gz BWEDTTJZNANTJH-CYBMUJFWSA-N 1 0 319.405 2.540 20 5 DFBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000072897655 274313891 /nfs/dbraw/zinc/31/38/91/274313891.db2.gz GLLAFBICCXBBHW-QWHCGFSZSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342648 274361090 /nfs/dbraw/zinc/36/10/90/274361090.db2.gz BFQFPUPHRXCPJP-SCZZXKLOSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C[N@@H+]1C ZINC000408434813 274364616 /nfs/dbraw/zinc/36/46/16/274364616.db2.gz IRQLRXCBSCMPKV-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353793488 428718504 /nfs/dbraw/zinc/71/85/04/428718504.db2.gz JURCTMIMRIIUSG-PEYYIBSZSA-N 1 0 319.405 2.939 20 5 DFBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643139 428721136 /nfs/dbraw/zinc/72/11/36/428721136.db2.gz DZSRLMLPNWCMEL-MLGOLLRUSA-N 1 0 322.336 2.509 20 5 DFBDRO Cc1ccc(CN2CC(=O)N(C(C)C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000353727412 428677494 /nfs/dbraw/zinc/67/74/94/428677494.db2.gz ZQRGFTSVLOOAHX-UHFFFAOYSA-N 1 0 319.405 2.734 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348523015 428769896 /nfs/dbraw/zinc/76/98/96/428769896.db2.gz BBOCNGANPNVPOL-CMPLNLGQSA-N 1 0 304.268 2.984 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353910993 428775042 /nfs/dbraw/zinc/77/50/42/428775042.db2.gz FFWRPUMHACJZHM-WCQYABFASA-N 1 0 320.393 2.761 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000353913392 428775574 /nfs/dbraw/zinc/77/55/74/428775574.db2.gz MKPXPKNUXXEFHU-GFCCVEGCSA-N 1 0 320.393 2.715 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913735 428784289 /nfs/dbraw/zinc/78/42/89/428784289.db2.gz OEQOVFFGSPCLLQ-CVEARBPZSA-N 1 0 307.369 2.793 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358955987 428747567 /nfs/dbraw/zinc/74/75/67/428747567.db2.gz RTXGSOQNKLRDIP-XQQFMLRXSA-N 1 0 323.441 2.898 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000358955985 428747743 /nfs/dbraw/zinc/74/77/43/428747743.db2.gz RTXGSOQNKLRDIP-JHJVBQTASA-N 1 0 323.441 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000374774122 428748017 /nfs/dbraw/zinc/74/80/17/428748017.db2.gz AHPSXOSUUFPBCI-IJEWVQPXSA-N 1 0 319.380 2.650 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375293750 428845891 /nfs/dbraw/zinc/84/58/91/428845891.db2.gz SNNLAIQMRABZLB-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000375051579 428796929 /nfs/dbraw/zinc/79/69/29/428796929.db2.gz WWCUEUSSCSZXLH-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000359134776 428834405 /nfs/dbraw/zinc/83/44/05/428834405.db2.gz QLJGQEGTENWOCE-QMMMGPOBSA-N 1 0 322.283 2.900 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000229597712 274632389 /nfs/dbraw/zinc/63/23/89/274632389.db2.gz UCCBAEFZZJGESS-LDYMZIIASA-N 1 0 314.183 2.910 20 5 DFBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000348905220 428872763 /nfs/dbraw/zinc/87/27/63/428872763.db2.gz QJTAJJXWRGINOP-UHFFFAOYSA-N 1 0 314.341 2.980 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000363199166 428880302 /nfs/dbraw/zinc/88/03/02/428880302.db2.gz PBVNIFRAYBUJMD-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418138792 428888713 /nfs/dbraw/zinc/88/87/13/428888713.db2.gz STKSGZVQKSJICB-HSBHDXMMSA-N 1 0 311.332 2.537 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)[C@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411975887 428898125 /nfs/dbraw/zinc/89/81/25/428898125.db2.gz VVHITWNXFVSGGU-ZBEGNZNMSA-N 1 0 308.378 2.897 20 5 DFBDRO Cc1c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363307707 428901936 /nfs/dbraw/zinc/90/19/36/428901936.db2.gz VDFNGMSPZFRXDH-AWEZNQCLSA-N 1 0 314.389 2.701 20 5 DFBDRO Cc1c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000363307708 428902069 /nfs/dbraw/zinc/90/20/69/428902069.db2.gz VDFNGMSPZFRXDH-CQSZACIVSA-N 1 0 314.389 2.701 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000363323462 428905562 /nfs/dbraw/zinc/90/55/62/428905562.db2.gz YSIAKWDTRJDLAI-GOEBONIOSA-N 1 0 306.362 2.747 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203203 428914501 /nfs/dbraw/zinc/91/45/01/428914501.db2.gz ALQLZXFZAWHYLG-HOCLYGCPSA-N 1 0 321.421 2.778 20 5 DFBDRO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412040189 428921572 /nfs/dbraw/zinc/92/15/72/428921572.db2.gz KKGRVICHCKXJEJ-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000363522989 428934639 /nfs/dbraw/zinc/93/46/39/428934639.db2.gz QVVRMECFTCIHOE-HNNXBMFYSA-N 1 0 317.389 2.572 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2ccnc2C)cc1[N+](=O)[O-] ZINC000349201778 428938841 /nfs/dbraw/zinc/93/88/41/428938841.db2.gz MHLMKZFZJRYMKF-GFCCVEGCSA-N 1 0 318.377 2.849 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420237232 428951171 /nfs/dbraw/zinc/95/11/71/428951171.db2.gz BUNWRKMBDLVIIX-MFKMUULPSA-N 1 0 318.402 3.271 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000363621345 428954763 /nfs/dbraw/zinc/95/47/63/428954763.db2.gz ATIITVMOUQZHAG-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363615179 428955774 /nfs/dbraw/zinc/95/57/74/428955774.db2.gz AQDBEGCZDNJWNT-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO C[NH+](C)C1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420629077 428959641 /nfs/dbraw/zinc/95/96/41/428959641.db2.gz QNWOKHSJMZJWDP-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349336356 428964810 /nfs/dbraw/zinc/96/48/10/428964810.db2.gz WXXYJWBBZIIMKK-OGOUPESXSA-N 1 0 304.268 2.511 20 5 DFBDRO Cc1cc(N2CC(n3cccn3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363674548 428965487 /nfs/dbraw/zinc/96/54/87/428965487.db2.gz RTXMWZZSDGOGIW-UHFFFAOYSA-N 1 0 309.329 2.709 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913536 429019195 /nfs/dbraw/zinc/01/91/95/429019195.db2.gz SUGYKSMDVNUBHR-DGCLKSJQSA-N 1 0 318.295 2.648 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000421748536 429025941 /nfs/dbraw/zinc/02/59/41/429025941.db2.gz GCGXBRAISFMIKC-GFCCVEGCSA-N 1 0 319.405 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000421764462 429029181 /nfs/dbraw/zinc/02/91/81/429029181.db2.gz VLOYJDISRVAJLY-UHFFFAOYSA-N 1 0 321.421 2.871 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000421790774 429031683 /nfs/dbraw/zinc/03/16/83/429031683.db2.gz YOGYORIIFGJAEL-QWHCGFSZSA-N 1 0 317.389 2.567 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000421790773 429031997 /nfs/dbraw/zinc/03/19/97/429031997.db2.gz YOGYORIIFGJAEL-OLZOCXBDSA-N 1 0 317.389 2.567 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000375798205 428978898 /nfs/dbraw/zinc/97/88/98/428978898.db2.gz WEVODSQJDGNKAQ-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451807314 428981898 /nfs/dbraw/zinc/98/18/98/428981898.db2.gz HLGBIOMXCPLANP-CQSZACIVSA-N 1 0 308.378 2.586 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H](O)C(F)(F)F ZINC000349404152 428982225 /nfs/dbraw/zinc/98/22/25/428982225.db2.gz FIMBWTLRXZIWED-AGEOTTOMSA-N 1 0 318.295 2.853 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000451807724 428983943 /nfs/dbraw/zinc/98/39/43/428983943.db2.gz IBRZXZQAUJMKRP-ZDUSSCGKSA-N 1 0 308.378 2.586 20 5 DFBDRO O=C(C[NH2+][C@@H]1CC2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433079831 428993378 /nfs/dbraw/zinc/99/33/78/428993378.db2.gz YVZXQBWVBXURFW-ORHYLEIMSA-N 1 0 303.362 2.702 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000451839255 428994982 /nfs/dbraw/zinc/99/49/82/428994982.db2.gz JNILZVMRHIVKAL-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451869690 429001312 /nfs/dbraw/zinc/00/13/12/429001312.db2.gz SDYWKJJLTWEEOH-JKSUJKDBSA-N 1 0 320.389 2.993 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000423707857 429002809 /nfs/dbraw/zinc/00/28/09/429002809.db2.gz UDPRECRZDFTQGN-UHFFFAOYSA-N 1 0 305.378 2.672 20 5 DFBDRO COc1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423732745 429003834 /nfs/dbraw/zinc/00/38/34/429003834.db2.gz ZYKLPCVIVIISLB-NSHDSACASA-N 1 0 321.377 2.568 20 5 DFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000452015010 429040066 /nfs/dbraw/zinc/04/00/66/429040066.db2.gz LSJVFWODEZNSBT-TZMCWYRMSA-N 1 0 312.341 2.790 20 5 DFBDRO COC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000452092195 429055232 /nfs/dbraw/zinc/05/52/32/429055232.db2.gz UDKXQANVGJASCS-GFCCVEGCSA-N 1 0 319.361 2.985 20 5 DFBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C[NH3+])C1CC1 ZINC000423961123 429064970 /nfs/dbraw/zinc/06/49/70/429064970.db2.gz ZCTDVXFPQHGVIJ-OAHLLOKOSA-N 1 0 319.405 2.702 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452126168 429065536 /nfs/dbraw/zinc/06/55/36/429065536.db2.gz YGMNPMAFBQEIQL-NSHDSACASA-N 1 0 313.348 2.788 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423967544 429066846 /nfs/dbraw/zinc/06/68/46/429066846.db2.gz STLRNXMZVAAFDH-HOCLYGCPSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H]1NCCC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382770 429076385 /nfs/dbraw/zinc/07/63/85/429076385.db2.gz PCQJUGOTWJJBHR-MAZHCROVSA-N 1 0 303.406 2.646 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000363937010 429143432 /nfs/dbraw/zinc/14/34/32/429143432.db2.gz IVXYCDQKODYDTB-LLVKDONJSA-N 1 0 306.753 2.618 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957273 429147305 /nfs/dbraw/zinc/14/73/05/429147305.db2.gz FADRCJSWMNXBQC-WDEREUQCSA-N 1 0 309.341 2.781 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435584316 429151274 /nfs/dbraw/zinc/15/12/74/429151274.db2.gz LCGNRWMDBYHXJC-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423519270 429105644 /nfs/dbraw/zinc/10/56/44/429105644.db2.gz DCQFCPWDLUGKOC-NWANDNLSSA-N 1 0 317.389 2.528 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000376487101 429119644 /nfs/dbraw/zinc/11/96/44/429119644.db2.gz VDWCXTKPBNULMC-GFCCVEGCSA-N 1 0 304.394 2.630 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2ncccc12 ZINC000413054019 429130128 /nfs/dbraw/zinc/13/01/28/429130128.db2.gz MCFDUVBQNMRRGV-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363874801 429132216 /nfs/dbraw/zinc/13/22/16/429132216.db2.gz JFQPAJQPVHCYEJ-KBAYOESNSA-N 1 0 315.417 2.819 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413088389 429135470 /nfs/dbraw/zinc/13/54/70/429135470.db2.gz ULPISVVREDXRTN-SECBINFHSA-N 1 0 318.299 2.903 20 5 DFBDRO Cc1nc(N2CCC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000363892037 429135884 /nfs/dbraw/zinc/13/58/84/429135884.db2.gz VOVIGAQMCAXICR-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO O=C1[C@H]([NH+]2CCC3(CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368424521 275029116 /nfs/dbraw/zinc/02/91/16/275029116.db2.gz KZVYULKXQULXPL-OAHLLOKOSA-N 1 0 315.373 2.576 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000246219753 275036614 /nfs/dbraw/zinc/03/66/14/275036614.db2.gz YOZQTPWQKXWOFH-NSHDSACASA-N 1 0 315.295 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2ccncc21 ZINC000266257423 275036822 /nfs/dbraw/zinc/03/68/22/275036822.db2.gz ODWGACGZOPHUMR-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[NH+](C3CCCC3)CC1)CCN2 ZINC000302437064 275038668 /nfs/dbraw/zinc/03/86/68/275038668.db2.gz MLECAXKGNUKTOJ-UHFFFAOYSA-N 1 0 316.405 2.627 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@H]3Cc4ccccc43)C2)c1 ZINC000367868151 275042059 /nfs/dbraw/zinc/04/20/59/275042059.db2.gz ANSBBSXXXQTXAR-HUUCEWRRSA-N 1 0 312.373 2.768 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487936363 429174809 /nfs/dbraw/zinc/17/48/09/429174809.db2.gz WADWJROBVZWYME-ZDUSSCGKSA-N 1 0 314.389 2.851 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000364330142 429183482 /nfs/dbraw/zinc/18/34/82/429183482.db2.gz URYGOYSPKBMTRK-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745553 429196050 /nfs/dbraw/zinc/19/60/50/429196050.db2.gz LIRHVKLOANRROG-XUJVJEKNSA-N 1 0 307.369 2.900 20 5 DFBDRO CC[C@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000495226106 429190179 /nfs/dbraw/zinc/19/01/79/429190179.db2.gz BOCGTDNPUDDZKG-INIZCTEOSA-N 1 0 317.345 2.597 20 5 DFBDRO CC[C@@]1(O)CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000495226108 429191205 /nfs/dbraw/zinc/19/12/05/429191205.db2.gz BOCGTDNPUDDZKG-MRXNPFEDSA-N 1 0 317.345 2.597 20 5 DFBDRO Cc1cncn1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000364383682 429194502 /nfs/dbraw/zinc/19/45/02/429194502.db2.gz VLTZPAYZOKQOQY-UHFFFAOYSA-N 1 0 314.345 2.577 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745552 429195239 /nfs/dbraw/zinc/19/52/39/429195239.db2.gz LIRHVKLOANRROG-TYNCELHUSA-N 1 0 307.369 2.900 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364617838 429234178 /nfs/dbraw/zinc/23/41/78/429234178.db2.gz BQCWOVIRFUEIIM-APHBMKBZSA-N 1 0 320.389 2.719 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000364627485 429236265 /nfs/dbraw/zinc/23/62/65/429236265.db2.gz CTNHJWDPKWZFJR-UONOGXRCSA-N 1 0 318.352 2.893 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000425251326 429251996 /nfs/dbraw/zinc/25/19/96/429251996.db2.gz FIYUGOUSVJHMRD-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3nccc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000425290049 429258910 /nfs/dbraw/zinc/25/89/10/429258910.db2.gz WRGIAPZLMDEPBH-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437301 429318744 /nfs/dbraw/zinc/31/87/44/429318744.db2.gz LXMSPKOYASBMPM-CHWSQXEVSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071189 429323732 /nfs/dbraw/zinc/32/37/32/429323732.db2.gz GMZRKQGCQWSUON-KBPBESRZSA-N 1 0 316.405 2.957 20 5 DFBDRO CCOC(=O)N(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000491112784 429323907 /nfs/dbraw/zinc/32/39/07/429323907.db2.gz FWTGMABVWPQOGB-UHFFFAOYSA-N 1 0 321.377 2.648 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccnc1N(C)C ZINC000449080179 429326769 /nfs/dbraw/zinc/32/67/69/429326769.db2.gz TXQYIQVNDDWNSL-ZDUSSCGKSA-N 1 0 314.389 2.777 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812628 429328252 /nfs/dbraw/zinc/32/82/52/429328252.db2.gz HPTGHTDXSLIWBZ-OLZOCXBDSA-N 1 0 308.378 2.960 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCn3ccnc3C2)c1 ZINC000365550860 429340414 /nfs/dbraw/zinc/34/04/14/429340414.db2.gz SRFLABXDGDNRIU-NSHDSACASA-N 1 0 320.780 2.797 20 5 DFBDRO CC[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C[C@H](C)O ZINC000425454989 429301121 /nfs/dbraw/zinc/30/11/21/429301121.db2.gz FPTMYJMLRQHHGN-VIFPVBQESA-N 1 0 317.183 2.560 20 5 DFBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@@H](C)CO ZINC000425473959 429305179 /nfs/dbraw/zinc/30/51/79/429305179.db2.gz IZWAUEJKFANOSV-VIFPVBQESA-N 1 0 317.183 2.560 20 5 DFBDRO COCc1nc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449332403 429391170 /nfs/dbraw/zinc/39/11/70/429391170.db2.gz DCNRTMXTWSZDJD-LLVKDONJSA-N 1 0 321.402 2.919 20 5 DFBDRO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426511051 429397485 /nfs/dbraw/zinc/39/74/85/429397485.db2.gz YEBWNHBDQUPXJC-IDKBZEPQSA-N 1 0 320.389 2.735 20 5 DFBDRO CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449373791 429398413 /nfs/dbraw/zinc/39/84/13/429398413.db2.gz CUAQZONTRVVLJW-WFASDCNBSA-N 1 0 323.393 2.717 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000426504815 429398519 /nfs/dbraw/zinc/39/85/19/429398519.db2.gz PUDHVVCJEPQZJH-HOFZKYPUSA-N 1 0 302.374 2.845 20 5 DFBDRO C[C@@H](CCCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449409494 429405975 /nfs/dbraw/zinc/40/59/75/429405975.db2.gz UIWFVKVGVYNXPH-JTQLQIEISA-N 1 0 318.320 2.694 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000517955772 429407605 /nfs/dbraw/zinc/40/76/05/429407605.db2.gz CSYIXFKKNNMFDO-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CC(F)(F)C2)n1 ZINC000425936744 429352562 /nfs/dbraw/zinc/35/25/62/429352562.db2.gz OFIUILQOQYTYIY-NWDGAFQWSA-N 1 0 314.336 2.910 20 5 DFBDRO CC[C@@H]1C[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000425983947 429357311 /nfs/dbraw/zinc/35/73/11/429357311.db2.gz XSLXPTKXDPUNCD-UKRRQHHQSA-N 1 0 322.409 2.633 20 5 DFBDRO CC[C@H]1C[C@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000425983946 429357347 /nfs/dbraw/zinc/35/73/47/429357347.db2.gz XSLXPTKXDPUNCD-HIFRSBDPSA-N 1 0 322.409 2.633 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491531920 429371126 /nfs/dbraw/zinc/37/11/26/429371126.db2.gz IPILDMWKJMPEIM-VFFGBVLKSA-N 1 0 323.368 2.594 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457056416 429389055 /nfs/dbraw/zinc/38/90/55/429389055.db2.gz NVJGHANWAQWZRA-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491975516 429445245 /nfs/dbraw/zinc/44/52/45/429445245.db2.gz XVRFQICDDRMATM-KHPPLWFESA-N 1 0 319.405 2.798 20 5 DFBDRO COCC(COC)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000449540201 429447491 /nfs/dbraw/zinc/44/74/91/429447491.db2.gz JIGGXJQSOGSEBU-UHFFFAOYSA-N 1 0 320.345 2.606 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000449538138 429447984 /nfs/dbraw/zinc/44/79/84/429447984.db2.gz KFSGGDQQTXSJJS-NVXWUHKLSA-N 1 0 313.357 3.000 20 5 DFBDRO CCOc1cc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000519577438 429466716 /nfs/dbraw/zinc/46/67/16/429466716.db2.gz VJLXXRKMJXUZFK-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000518286161 429416603 /nfs/dbraw/zinc/41/66/03/429416603.db2.gz KFOHIHSYDHVDRN-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449449935 429421156 /nfs/dbraw/zinc/42/11/56/429421156.db2.gz ALTKUGCHLVWHPD-WMLDXEAASA-N 1 0 322.405 2.859 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449449934 429421170 /nfs/dbraw/zinc/42/11/70/429421170.db2.gz ALTKUGCHLVWHPD-RHSMWYFYSA-N 1 0 322.405 2.859 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000353708472 275740199 /nfs/dbraw/zinc/74/01/99/275740199.db2.gz GEPYIJLHOAKMJO-GOEBONIOSA-N 1 0 303.406 2.902 20 5 DFBDRO COc1cc(C[NH2+]Cc2cc(C)cs2)c([N+](=O)[O-])cc1O ZINC000449477770 429431879 /nfs/dbraw/zinc/43/18/79/429431879.db2.gz JEHLMFGSWNCLLH-UHFFFAOYSA-N 1 0 308.359 2.969 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000428457738 429525604 /nfs/dbraw/zinc/52/56/04/429525604.db2.gz MZSILEQJTJUKPM-YPMHNXCESA-N 1 0 306.362 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000366618324 429487710 /nfs/dbraw/zinc/48/77/10/429487710.db2.gz DTPGBMMLNUDJSN-BBRMVZONSA-N 1 0 319.405 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000520340786 429509487 /nfs/dbraw/zinc/50/94/87/429509487.db2.gz BVUKBJFJYBOSFG-AWEZNQCLSA-N 1 0 308.403 2.801 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000366835975 429523562 /nfs/dbraw/zinc/52/35/62/429523562.db2.gz CLHGBTSQYUOYSG-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000367066129 429569232 /nfs/dbraw/zinc/56/92/32/429569232.db2.gz IABUDKBLJCXHEY-ZOBUZTSGSA-N 1 0 317.389 2.693 20 5 DFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279144481 275861448 /nfs/dbraw/zinc/86/14/48/275861448.db2.gz SEMLQYXAUVWSSJ-HWWQOWPSSA-N 1 0 302.374 2.844 20 5 DFBDRO COc1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000429251185 429590015 /nfs/dbraw/zinc/59/00/15/429590015.db2.gz CAOPQQGJEOHXRT-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492661052 429587926 /nfs/dbraw/zinc/58/79/26/429587926.db2.gz ZZCSLBIEHQQTBK-LSDHHAIUSA-N 1 0 320.389 2.994 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1snnc1C ZINC000492465292 429543971 /nfs/dbraw/zinc/54/39/71/429543971.db2.gz VPJOCTTVQYZAKZ-POHAHGRESA-N 1 0 304.375 2.948 20 5 DFBDRO CCc1cc(N2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000450408261 429620113 /nfs/dbraw/zinc/62/01/13/429620113.db2.gz SMEVDZGUTDCMDI-ZDUSSCGKSA-N 1 0 313.361 2.638 20 5 DFBDRO CC(C)[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000450478222 429638049 /nfs/dbraw/zinc/63/80/49/429638049.db2.gz DYMUUTPZGYXCQL-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CC(=O)c1cc(N2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000367435022 429648782 /nfs/dbraw/zinc/64/87/82/429648782.db2.gz LJMFNJPAULYUBG-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000367453059 429650506 /nfs/dbraw/zinc/65/05/06/429650506.db2.gz XVTKNTRRDCDLHE-CABCVRRESA-N 1 0 306.362 2.747 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450279957 429592447 /nfs/dbraw/zinc/59/24/47/429592447.db2.gz VVLBVVAOLJRHNS-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429373948 429604139 /nfs/dbraw/zinc/60/41/39/429604139.db2.gz BAVIVXOJEKRXIO-GJZGRUSLSA-N 1 0 306.362 2.614 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@H+]2CCO)c(Cl)c1 ZINC000450606990 429660258 /nfs/dbraw/zinc/66/02/58/429660258.db2.gz AXWGDUMPOPRXDA-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccccc1O ZINC000430203925 429662368 /nfs/dbraw/zinc/66/23/68/429662368.db2.gz PSLUQVVIJULEJW-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([NH2+]C(C)C)CC1 ZINC000430208270 429663249 /nfs/dbraw/zinc/66/32/49/429663249.db2.gz TZCMBLUSTOWPOC-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CCC(CO)CC1 ZINC000430212675 429663255 /nfs/dbraw/zinc/66/32/55/429663255.db2.gz PFSZEQSOINLYHL-UHFFFAOYSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[C@H]1CCCC[N@@H+]1C ZINC000430216309 429663746 /nfs/dbraw/zinc/66/37/46/429663746.db2.gz FDSUEPAJUBDWDY-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000430219070 429664139 /nfs/dbraw/zinc/66/41/39/429664139.db2.gz KQELNPUBSLOWCI-GJZGRUSLSA-N 1 0 322.405 2.832 20 5 DFBDRO CC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430240685 429665122 /nfs/dbraw/zinc/66/51/22/429665122.db2.gz DYPHPUJWEFXLKT-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000430242900 429666372 /nfs/dbraw/zinc/66/63/72/429666372.db2.gz YWFHRPBEAYJJQV-CYBMUJFWSA-N 1 0 314.341 2.566 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367625174 429689765 /nfs/dbraw/zinc/68/97/65/429689765.db2.gz XDCZQXYRPQYVAC-BZUAXINKSA-N 1 0 319.405 2.566 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000182036673 276362654 /nfs/dbraw/zinc/36/26/54/276362654.db2.gz HQVFCPARQBBCRT-CABCVRRESA-N 1 0 322.409 2.509 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@H](C)C1 ZINC000526053225 429697908 /nfs/dbraw/zinc/69/79/08/429697908.db2.gz ZGLIZODSIHXVJA-GWQWUEFDSA-N 1 0 303.406 2.930 20 5 DFBDRO CCOc1cccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292809927 276381464 /nfs/dbraw/zinc/38/14/64/276381464.db2.gz OAVBXVMDJALPGP-QGZVFWFLSA-N 1 0 319.405 2.916 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367692406 429701703 /nfs/dbraw/zinc/70/17/03/429701703.db2.gz YVMWGEWSEHRFOB-DWBZUHSKSA-N 1 0 316.401 2.788 20 5 DFBDRO CC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000367713086 429704754 /nfs/dbraw/zinc/70/47/54/429704754.db2.gz PSJOHRHUZSMNOB-ZIAGYGMSSA-N 1 0 303.362 2.836 20 5 DFBDRO CC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000367713085 429705307 /nfs/dbraw/zinc/70/53/07/429705307.db2.gz PSJOHRHUZSMNOB-UONOGXRCSA-N 1 0 303.362 2.836 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000450852956 429714342 /nfs/dbraw/zinc/71/43/42/429714342.db2.gz AUYSIXADHLCJCS-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)o1 ZINC000367775339 429715623 /nfs/dbraw/zinc/71/56/23/429715623.db2.gz BJDXXPKMPMRPHJ-FICVDOATSA-N 1 0 314.341 2.525 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]Cc2ccccc21 ZINC000430948999 429726712 /nfs/dbraw/zinc/72/67/12/429726712.db2.gz ATVOHEATNMMKGX-UHFFFAOYSA-N 1 0 313.357 2.583 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NCc1ccnc(-n2ccnc2)c1 ZINC000368107941 429788099 /nfs/dbraw/zinc/78/80/99/429788099.db2.gz HSMQWEYPBIYDFQ-UHFFFAOYSA-N 1 0 313.292 2.927 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432409770 429822677 /nfs/dbraw/zinc/82/26/77/429822677.db2.gz IWPUHVAFDQQKAP-DCBWTQNWSA-N 1 0 308.378 2.805 20 5 DFBDRO CCn1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1=O ZINC000432499563 429828014 /nfs/dbraw/zinc/82/80/14/429828014.db2.gz DCPAQLJWJYQICT-GFCCVEGCSA-N 1 0 301.346 2.627 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000368323331 429829544 /nfs/dbraw/zinc/82/95/44/429829544.db2.gz GTPBKSCFCAUDQX-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000451472390 429832784 /nfs/dbraw/zinc/83/27/84/429832784.db2.gz SEZXLPRPSJXRMS-GDBMZVCRSA-N 1 0 320.389 2.647 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451504657 429837351 /nfs/dbraw/zinc/83/73/51/429837351.db2.gz JNEFDFPHCZODLQ-KMUNFCNLSA-N 1 0 308.378 2.753 20 5 DFBDRO CCOCC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543155 429848502 /nfs/dbraw/zinc/84/85/02/429848502.db2.gz BAIYRUVQOKQDTI-WBVHZDCISA-N 1 0 322.405 2.562 20 5 DFBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000451598829 429860977 /nfs/dbraw/zinc/86/09/77/429860977.db2.gz PFFAHBYWYBYVAL-RHSMWYFYSA-N 1 0 324.421 2.982 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC[C@](F)(c2ccc(F)cc2)C1 ZINC000368526543 429861654 /nfs/dbraw/zinc/86/16/54/429861654.db2.gz INAZPUCSGJELSQ-OAHLLOKOSA-N 1 0 322.315 2.538 20 5 DFBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000494273285 429864427 /nfs/dbraw/zinc/86/44/27/429864427.db2.gz GVURJQCIHSCMKX-GXDHUFHOSA-N 1 0 300.362 2.827 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2csc(Cl)c2Cl)c1 ZINC000432252264 429810419 /nfs/dbraw/zinc/81/04/19/429810419.db2.gz FNJFNGKGRSBPMT-UHFFFAOYSA-N 1 0 321.189 2.949 20 5 DFBDRO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000368789694 429894149 /nfs/dbraw/zinc/89/41/49/429894149.db2.gz FCXDHPWWHPFVAX-BBRMVZONSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369320724 429923696 /nfs/dbraw/zinc/92/36/96/429923696.db2.gz ANGXEUOLRLIWSJ-ZDUSSCGKSA-N 1 0 317.389 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000369342431 429925970 /nfs/dbraw/zinc/92/59/70/429925970.db2.gz INUQURQBZZUIEE-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO Cn1cc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000559641048 430012201 /nfs/dbraw/zinc/01/22/01/430012201.db2.gz VFUQVXBJAUGUOW-OAHLLOKOSA-N 1 0 314.389 2.954 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146700 430014042 /nfs/dbraw/zinc/01/40/42/430014042.db2.gz FKQHKTUFMBGDQQ-CZUORRHYSA-N 1 0 319.405 2.689 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000560193663 430025378 /nfs/dbraw/zinc/02/53/78/430025378.db2.gz ZTVVLDVUWONTLL-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000331155383 277052929 /nfs/dbraw/zinc/05/29/29/277052929.db2.gz YMDMHFAAUCOXFP-CHWSQXEVSA-N 1 0 319.405 2.892 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000121772776 277069971 /nfs/dbraw/zinc/06/99/71/277069971.db2.gz VGOXQSLDJIZSFC-YGRLFVJLSA-N 1 0 311.332 2.794 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@H]1c1ccccc1 ZINC000377836662 277199419 /nfs/dbraw/zinc/19/94/19/277199419.db2.gz DDYWDUXXWFAZLZ-QGPMSJSTSA-N 1 0 324.384 2.729 20 5 DFBDRO CN1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000279176978 277205100 /nfs/dbraw/zinc/20/51/00/277205100.db2.gz VGSHIRFSAOUGGY-ABAIWWIYSA-N 1 0 317.389 2.528 20 5 DFBDRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245519096 277232035 /nfs/dbraw/zinc/23/20/35/277232035.db2.gz IHVBBMRCKAPGNR-LSDHHAIUSA-N 1 0 322.405 2.949 20 5 DFBDRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266577066 277232424 /nfs/dbraw/zinc/23/24/24/277232424.db2.gz GHUVNLLVTANVSS-ZIAGYGMSSA-N 1 0 308.378 2.641 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000581349380 430199565 /nfs/dbraw/zinc/19/95/65/430199565.db2.gz ZGPGBQMEDNGDKZ-LBPRGKRZSA-N 1 0 307.394 2.912 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000581499524 430215850 /nfs/dbraw/zinc/21/58/50/430215850.db2.gz IXXYHDVQIQJQOV-CHWSQXEVSA-N 1 0 305.378 2.524 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CO)C1CCCCC1 ZINC000543837040 430266101 /nfs/dbraw/zinc/26/61/01/430266101.db2.gz WUXNYRIOHQFDLO-AWEZNQCLSA-N 1 0 308.378 2.504 20 5 DFBDRO CC[NH+]1CCC(CNc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000581660043 430228002 /nfs/dbraw/zinc/22/80/02/430228002.db2.gz TUJZSYAWLGUCFZ-UHFFFAOYSA-N 1 0 311.357 2.886 20 5 DFBDRO CCOC(=O)[C@@H](CC(C)C)NCCc1cccc([N+](=O)[O-])c1 ZINC000542931555 430233120 /nfs/dbraw/zinc/23/31/20/430233120.db2.gz GDPHEJWZDCTFHJ-OAHLLOKOSA-N 1 0 308.378 2.705 20 5 DFBDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582324549 430288616 /nfs/dbraw/zinc/28/86/16/430288616.db2.gz YBPRHSWQDQLIMZ-ABAIWWIYSA-N 1 0 303.362 2.633 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1ncccc1F ZINC000582677540 430323413 /nfs/dbraw/zinc/32/34/13/430323413.db2.gz RTWWRRJEXCAGAF-CQSZACIVSA-N 1 0 317.320 2.785 20 5 DFBDRO Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796394 430335736 /nfs/dbraw/zinc/33/57/36/430335736.db2.gz OLNAOFSCGDERKB-KBPBESRZSA-N 1 0 313.361 2.607 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](O)C(F)F ZINC000583066665 430359030 /nfs/dbraw/zinc/35/90/30/430359030.db2.gz KSULLHLOPVTNBT-XDTLVQLUSA-N 1 0 302.321 2.958 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000568534006 430369131 /nfs/dbraw/zinc/36/91/31/430369131.db2.gz ZCONKLYAORGQHH-CYBMUJFWSA-N 1 0 322.409 2.696 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000568534007 430369409 /nfs/dbraw/zinc/36/94/09/430369409.db2.gz ZCONKLYAORGQHH-ZDUSSCGKSA-N 1 0 322.409 2.696 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000588549026 430483705 /nfs/dbraw/zinc/48/37/05/430483705.db2.gz SQHRINRLFCHJNB-QQNRWZHASA-N 1 0 312.373 2.969 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000571290554 430617946 /nfs/dbraw/zinc/61/79/46/430617946.db2.gz ZBTANTWHESRHHK-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571326703 430621046 /nfs/dbraw/zinc/62/10/46/430621046.db2.gz KCKBSYHPMLCPLP-SVEBXFOSSA-N 1 0 301.390 2.684 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncc([N+](=O)[O-])s1 ZINC000192522070 278242554 /nfs/dbraw/zinc/24/25/54/278242554.db2.gz RNCSUABBFVTZAA-NSHDSACASA-N 1 0 306.391 2.984 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)C2CCCCC2)c(F)c1 ZINC000556811439 430693439 /nfs/dbraw/zinc/69/34/39/430693439.db2.gz WKCAHMRRTROQNN-OAHLLOKOSA-N 1 0 314.332 2.904 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286410062 278492907 /nfs/dbraw/zinc/49/29/07/278492907.db2.gz QFGCPDGRDLUATO-JQWIXIFHSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262712964 278841496 /nfs/dbraw/zinc/84/14/96/278841496.db2.gz CYIPQRUWAZNPBV-BXUZGUMPSA-N 1 0 319.405 2.620 20 5 DFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353948052 278850766 /nfs/dbraw/zinc/85/07/66/278850766.db2.gz RAGGGYSTOGJYBS-TUVASFSCSA-N 1 0 322.409 2.537 20 5 DFBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365941975 279095351 /nfs/dbraw/zinc/09/53/51/279095351.db2.gz MOHHYAKXERXMJN-OCCSQVGLSA-N 1 0 300.362 2.706 20 5 DFBDRO C[C@H](CCc1ccc(F)cc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000353629238 279272711 /nfs/dbraw/zinc/27/27/11/279272711.db2.gz FDCULMUCWZTGCF-LLVKDONJSA-N 1 0 324.331 2.680 20 5 DFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055748349 279322205 /nfs/dbraw/zinc/32/22/05/279322205.db2.gz PHHOUFPXBBJDKU-MGPQQGTHSA-N 1 0 319.405 2.691 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063193126 279417552 /nfs/dbraw/zinc/41/75/52/279417552.db2.gz PWCUQFUJWPUQLF-JOYOIKCWSA-N 1 0 311.769 2.590 20 5 DFBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365941973 280120647 /nfs/dbraw/zinc/12/06/47/280120647.db2.gz MOHHYAKXERXMJN-GXTWGEPZSA-N 1 0 300.362 2.706 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000368660966 280341402 /nfs/dbraw/zinc/34/14/02/280341402.db2.gz WXZYTAKCUDOUDH-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000301418983 280374829 /nfs/dbraw/zinc/37/48/29/280374829.db2.gz HGCCJQNBIVWYFC-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289863061 281018264 /nfs/dbraw/zinc/01/82/64/281018264.db2.gz LHMNCZFZNVBVGA-GFCCVEGCSA-N 1 0 308.382 2.753 20 5 DFBDRO Cc1cccc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302495429 281224720 /nfs/dbraw/zinc/22/47/20/281224720.db2.gz LYHVRUZNNJXHGI-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000373077613 281256912 /nfs/dbraw/zinc/25/69/12/281256912.db2.gz CMSFEBYYLAPINO-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363413677 289090624 /nfs/dbraw/zinc/09/06/24/289090624.db2.gz FZJUQAVTFYPEEK-PVAVHDDUSA-N 1 0 301.390 2.511 20 5 DFBDRO C[C@H](C[NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415702761 289121446 /nfs/dbraw/zinc/12/14/46/289121446.db2.gz PTKIJASTADLSBY-SNVBAGLBSA-N 1 0 308.382 2.609 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000415699739 289121484 /nfs/dbraw/zinc/12/14/84/289121484.db2.gz KEERAZSLEIZNNK-UHFFFAOYSA-N 1 0 320.393 2.895 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415763603 289132605 /nfs/dbraw/zinc/13/26/05/289132605.db2.gz OLDOOYRZJXMRIC-HNNXBMFYSA-N 1 0 308.382 2.652 20 5 DFBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000495073372 299901681 /nfs/dbraw/zinc/90/16/81/299901681.db2.gz XCHYDJFZNWKNLM-HNNXBMFYSA-N 1 0 319.405 2.564 20 5 DFBDRO NC(=O)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182025937 295052474 /nfs/dbraw/zinc/05/24/74/295052474.db2.gz JRYWNECULVYXFR-CQSZACIVSA-N 1 0 305.378 2.509 20 5 DFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000154290540 295296540 /nfs/dbraw/zinc/29/65/40/295296540.db2.gz VLNTUUADEMHDHQ-CQSZACIVSA-N 1 0 319.405 2.835 20 5 DFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000154290652 295296626 /nfs/dbraw/zinc/29/66/26/295296626.db2.gz VLNTUUADEMHDHQ-AWEZNQCLSA-N 1 0 319.405 2.835 20 5 DFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000262526245 295323645 /nfs/dbraw/zinc/32/36/45/295323645.db2.gz OXHPFFIBJMUNQE-JMJZKYOTSA-N 1 0 315.295 2.787 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000156478245 295336755 /nfs/dbraw/zinc/33/67/55/295336755.db2.gz QFSKJNOQEVSZIV-GFCCVEGCSA-N 1 0 320.397 2.560 20 5 DFBDRO COCC[NH+](CCOC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000158208007 295359610 /nfs/dbraw/zinc/35/96/10/295359610.db2.gz VQKSDSLEHNBULQ-UHFFFAOYSA-N 1 0 310.394 2.813 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000393323544 295480286 /nfs/dbraw/zinc/48/02/86/295480286.db2.gz RAEXGSIVWZAOIZ-KGLIPLIRSA-N 1 0 315.348 2.913 20 5 DFBDRO CC(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438490700 297095218 /nfs/dbraw/zinc/09/52/18/297095218.db2.gz LLZQJUUGFQNGSS-ZDUSSCGKSA-N 1 0 305.378 2.901 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438492835 297095330 /nfs/dbraw/zinc/09/53/30/297095330.db2.gz USRGOQPQRPZHDO-CYBMUJFWSA-N 1 0 305.378 2.820 20 5 DFBDRO CCN(Cc1c[nH]c2ccccc12)Cc1c([N+](=O)[O-])ncn1C ZINC000442887570 297209476 /nfs/dbraw/zinc/20/94/76/297209476.db2.gz ZBTOIRGMEJSIRO-UHFFFAOYSA-N 1 0 313.361 2.832 20 5 DFBDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346840 297219874 /nfs/dbraw/zinc/21/98/74/297219874.db2.gz WUDFDCDERDHHCU-CKEIUWERSA-N 1 0 322.405 2.845 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750089 297248419 /nfs/dbraw/zinc/24/84/19/297248419.db2.gz XOSUIXKULAOQDC-LSDHHAIUSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@](O)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447580000 297309131 /nfs/dbraw/zinc/30/91/31/297309131.db2.gz MTWXUCDNJIKVLN-STQMWFEESA-N 1 0 318.295 2.875 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CC(F)(F)C2)n1 ZINC000447597178 297309992 /nfs/dbraw/zinc/30/99/92/297309992.db2.gz FQMKFZXTENIPCX-MNOVXSKESA-N 1 0 300.309 2.662 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692671 297313544 /nfs/dbraw/zinc/31/35/44/297313544.db2.gz HJVANRIPKISEPT-QMTHXVAHSA-N 1 0 303.366 2.612 20 5 DFBDRO CC[NH+]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000448938044 297381009 /nfs/dbraw/zinc/38/10/09/297381009.db2.gz OUTLHVNCKFGRMC-UHFFFAOYSA-N 1 0 318.402 2.860 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCCC1 ZINC000449064952 297399395 /nfs/dbraw/zinc/39/93/95/297399395.db2.gz XGKVXUNVEHVORI-CQSZACIVSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2C ZINC000449073380 297401114 /nfs/dbraw/zinc/40/11/14/297401114.db2.gz IQEAECMGXJOEJH-WFASDCNBSA-N 1 0 314.389 2.927 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000449123998 297409558 /nfs/dbraw/zinc/40/95/58/297409558.db2.gz FCRJYGHRGSPQTM-PBHICJAKSA-N 1 0 314.385 2.719 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1 ZINC000449168509 297416668 /nfs/dbraw/zinc/41/66/68/297416668.db2.gz DPMQIPSQXAVGQB-RHSMWYFYSA-N 1 0 314.385 2.892 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000449442059 297468239 /nfs/dbraw/zinc/46/82/39/297468239.db2.gz VXCWOEWXSOVDEN-YHWKNFMLSA-N 1 0 319.405 2.701 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000449682342 297511743 /nfs/dbraw/zinc/51/17/43/297511743.db2.gz NRMLNZBPSGRXOW-LBPRGKRZSA-N 1 0 311.769 2.510 20 5 DFBDRO CCc1cc(N2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc[nH+]1 ZINC000450408260 297626048 /nfs/dbraw/zinc/62/60/48/297626048.db2.gz SMEVDZGUTDCMDI-CYBMUJFWSA-N 1 0 313.361 2.638 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451593411 297841385 /nfs/dbraw/zinc/84/13/85/297841385.db2.gz HVIYUKHNBXFECT-WBVHZDCISA-N 1 0 324.421 2.982 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453136088 298066134 /nfs/dbraw/zinc/06/61/34/298066134.db2.gz HFRNQISFNBOEFJ-GJZGRUSLSA-N 1 0 306.362 2.521 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453136089 298066331 /nfs/dbraw/zinc/06/63/31/298066331.db2.gz HFRNQISFNBOEFJ-HUUCEWRRSA-N 1 0 306.362 2.521 20 5 DFBDRO CCC[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453244723 298074515 /nfs/dbraw/zinc/07/45/15/298074515.db2.gz HMOKPUIMXQQNIN-HZSPNIEDSA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1=CCOCC1)C1CC1 ZINC000453298755 298081137 /nfs/dbraw/zinc/08/11/37/298081137.db2.gz USBBSSUHUWOZSS-MRXNPFEDSA-N 1 0 302.374 2.852 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000453382882 298088761 /nfs/dbraw/zinc/08/87/61/298088761.db2.gz LTQWVOUZBXXMHW-RDJZCZTQSA-N 1 0 304.390 2.667 20 5 DFBDRO CCn1ccnc1[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454142581 298125720 /nfs/dbraw/zinc/12/57/20/298125720.db2.gz RXVWINAVKOSRQQ-JTQLQIEISA-N 1 0 303.322 2.694 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000454151870 298127603 /nfs/dbraw/zinc/12/76/03/298127603.db2.gz STVGTMUIZZPIQI-YHWZYXNKSA-N 1 0 318.377 2.650 20 5 DFBDRO C[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000454267508 298146647 /nfs/dbraw/zinc/14/66/47/298146647.db2.gz YQRYVGCMOJXPJB-GFCCVEGCSA-N 1 0 318.377 2.543 20 5 DFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc21 ZINC000456283331 298487087 /nfs/dbraw/zinc/48/70/87/298487087.db2.gz SORTZJOGVMJDPR-AWEZNQCLSA-N 1 0 314.345 2.724 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594123 300220553 /nfs/dbraw/zinc/22/05/53/300220553.db2.gz IPADETSOCKPMBZ-SWLSCSKDSA-N 1 0 314.389 2.919 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000515343032 300301364 /nfs/dbraw/zinc/30/13/64/300301364.db2.gz UWHKVUWOTSKKQY-BFHYXJOUSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC34CCC(CC3)C4)CC2)cn1 ZINC000515594478 300314176 /nfs/dbraw/zinc/31/41/76/300314176.db2.gz HLOWPZCIPWQTRZ-UHFFFAOYSA-N 1 0 316.405 2.692 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000516118732 300330189 /nfs/dbraw/zinc/33/01/89/300330189.db2.gz AVAFYRRIGYPMMO-SNVBAGLBSA-N 1 0 302.334 2.932 20 5 DFBDRO [NH3+][C@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173858 300332750 /nfs/dbraw/zinc/33/27/50/300332750.db2.gz GGXVELKVLQCEHK-DLBZAZTESA-N 1 0 313.357 2.708 20 5 DFBDRO C[NH+](C)[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CC1 ZINC000516281387 300338484 /nfs/dbraw/zinc/33/84/84/300338484.db2.gz VKKFJXBJLUVRKS-OAHLLOKOSA-N 1 0 304.394 2.621 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516454907 300342651 /nfs/dbraw/zinc/34/26/51/300342651.db2.gz YRQAYADNRGVDNQ-KFWWJZLASA-N 1 0 322.405 2.750 20 5 DFBDRO CN(CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000516513093 300346033 /nfs/dbraw/zinc/34/60/33/300346033.db2.gz LXJIWEUDNRIJNQ-UHFFFAOYSA-N 1 0 317.336 2.580 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000519540480 300457239 /nfs/dbraw/zinc/45/72/39/300457239.db2.gz PPJVULZZHXHWAB-WBVHZDCISA-N 1 0 320.389 2.503 20 5 DFBDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000530359537 301042131 /nfs/dbraw/zinc/04/21/31/301042131.db2.gz PGZHGUOAXXMNCF-HUUCEWRRSA-N 1 0 315.377 2.768 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2ccccc21 ZINC000530864831 301069701 /nfs/dbraw/zinc/06/97/01/301069701.db2.gz HTFJOQVIRDMYEY-INIZCTEOSA-N 1 0 300.362 2.801 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000531104772 301079412 /nfs/dbraw/zinc/07/94/12/301079412.db2.gz ZSSPHANNHJWZGH-KBPBESRZSA-N 1 0 314.389 2.954 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000531911430 301118332 /nfs/dbraw/zinc/11/83/32/301118332.db2.gz QLUGETKFOJBEJJ-JKSUJKDBSA-N 1 0 305.378 2.650 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](C)C1 ZINC000531984758 301123826 /nfs/dbraw/zinc/12/38/26/301123826.db2.gz ZSMMQVCFUTZEEL-CABCVRRESA-N 1 0 305.422 2.847 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000531994846 301124440 /nfs/dbraw/zinc/12/44/40/301124440.db2.gz IWWXZSNZFLZWNQ-CJNGLKHVSA-N 1 0 323.462 2.991 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000536625686 301283460 /nfs/dbraw/zinc/28/34/60/301283460.db2.gz YGYUZRPLLAFTOU-KBPBESRZSA-N 1 0 321.421 2.986 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000537511848 301301264 /nfs/dbraw/zinc/30/12/64/301301264.db2.gz YPGXOVXILCOFPF-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@H]1CCC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000537810107 301312087 /nfs/dbraw/zinc/31/20/87/301312087.db2.gz HKNAINLQXUZKRC-GJZGRUSLSA-N 1 0 318.421 2.938 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000538391349 301320925 /nfs/dbraw/zinc/32/09/25/301320925.db2.gz XTKFMQGYDXXYDD-HNNXBMFYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000540184548 301359395 /nfs/dbraw/zinc/35/93/95/301359395.db2.gz QYXXBTHVGOERQB-OQMKEHIESA-N 1 0 317.389 2.563 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000542041700 301407173 /nfs/dbraw/zinc/40/71/73/301407173.db2.gz GBEJWPPRHCTVIU-LLVKDONJSA-N 1 0 323.393 2.770 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000546685508 301507850 /nfs/dbraw/zinc/50/78/50/301507850.db2.gz IDXCSNLNPGIPHD-STQMWFEESA-N 1 0 305.378 2.565 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Cn1cccn1 ZINC000558688040 301855944 /nfs/dbraw/zinc/85/59/44/301855944.db2.gz QCADRANXRSKUHF-ZDUSSCGKSA-N 1 0 318.377 2.616 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]1F ZINC000559917950 301879050 /nfs/dbraw/zinc/87/90/50/301879050.db2.gz YTWXVLXLUVDBTA-GDLCADMTSA-N 1 0 309.341 2.792 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1CCCCCC1 ZINC000562998361 302023223 /nfs/dbraw/zinc/02/32/23/302023223.db2.gz GOWZBQRZJLAXDJ-OAHLLOKOSA-N 1 0 322.405 2.895 20 5 DFBDRO CCCNC(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000563350931 302065055 /nfs/dbraw/zinc/06/50/55/302065055.db2.gz UQQBHKMQDLGKBG-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000563841159 302102148 /nfs/dbraw/zinc/10/21/48/302102148.db2.gz JYCAEQHWTHWAAP-CYBMUJFWSA-N 1 0 319.405 2.994 20 5 DFBDRO C[NH+](C)CCCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000565088659 302193376 /nfs/dbraw/zinc/19/33/76/302193376.db2.gz JBHLXYQBTQDHQC-LBPRGKRZSA-N 1 0 305.300 2.740 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000565217209 302208403 /nfs/dbraw/zinc/20/84/03/302208403.db2.gz LAEQVTVLCQCMCM-JQHSSLGASA-N 1 0 310.353 2.830 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CSC1(C)C ZINC000565410384 302223475 /nfs/dbraw/zinc/22/34/75/302223475.db2.gz ORCQWUQCSIPVPG-GWCFXTLKSA-N 1 0 323.418 2.796 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000566122098 302261844 /nfs/dbraw/zinc/26/18/44/302261844.db2.gz XRHVVVKLDGAZNQ-PBHICJAKSA-N 1 0 320.389 2.503 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000566301261 302276819 /nfs/dbraw/zinc/27/68/19/302276819.db2.gz VPXDGINDSLJGAA-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000566737103 302308364 /nfs/dbraw/zinc/30/83/64/302308364.db2.gz FMNYGFCIZBMCIS-OCCSQVGLSA-N 1 0 319.405 2.953 20 5 DFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567523456 302366127 /nfs/dbraw/zinc/36/61/27/302366127.db2.gz JJUVTAFYQATTOZ-XJKSGUPXSA-N 1 0 308.378 2.768 20 5 DFBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567691222 302380414 /nfs/dbraw/zinc/38/04/14/302380414.db2.gz RZQVBELNPGQGCI-IHRRRGAJSA-N 1 0 310.394 2.749 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000567796986 302389763 /nfs/dbraw/zinc/38/97/63/302389763.db2.gz KYWVAYIKSLYKDL-OAHLLOKOSA-N 1 0 313.357 2.988 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567879251 302395879 /nfs/dbraw/zinc/39/58/79/302395879.db2.gz OMPWULWDXFTRBF-YPMHNXCESA-N 1 0 304.394 2.798 20 5 DFBDRO C[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000569838601 302541151 /nfs/dbraw/zinc/54/11/51/302541151.db2.gz JCPGKFLIODMYFA-SECBINFHSA-N 1 0 319.283 2.711 20 5 DFBDRO CC(C)[C@@]1(C)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570155725 302558439 /nfs/dbraw/zinc/55/84/39/302558439.db2.gz SBIORLWROKRICS-GDBMZVCRSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573841529 302726851 /nfs/dbraw/zinc/72/68/51/302726851.db2.gz XQAOUMGJHDJRDJ-LLVKDONJSA-N 1 0 323.418 2.655 20 5 DFBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000179732946 316017627 /nfs/dbraw/zinc/01/76/27/316017627.db2.gz KCHPOFCMDWVZBW-OAHLLOKOSA-N 1 0 318.377 2.931 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(F)cc3F)CCC2)n1 ZINC000179982551 316023846 /nfs/dbraw/zinc/02/38/46/316023846.db2.gz APFAVBKWXPLVBT-UHFFFAOYSA-N 1 0 322.315 2.739 20 5 DFBDRO Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181820963 316074794 /nfs/dbraw/zinc/07/47/94/316074794.db2.gz NIJXXNSFHDKPIV-LBPRGKRZSA-N 1 0 321.402 2.786 20 5 DFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000182666084 316112303 /nfs/dbraw/zinc/11/23/03/316112303.db2.gz KAZKMSFYKZHQMJ-GFCCVEGCSA-N 1 0 324.377 2.767 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000182957919 316124637 /nfs/dbraw/zinc/12/46/37/316124637.db2.gz OQDRUNDEJFACMM-NFAWXSAZSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000184467695 316167167 /nfs/dbraw/zinc/16/71/67/316167167.db2.gz PFDLFWQNVUSKFG-SNVBAGLBSA-N 1 0 323.422 2.896 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000316584026 316246205 /nfs/dbraw/zinc/24/62/05/316246205.db2.gz RMIXHPOVNVQAGB-NSHDSACASA-N 1 0 303.366 2.613 20 5 DFBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)[NH+](C)C ZINC000413832398 316594114 /nfs/dbraw/zinc/59/41/14/316594114.db2.gz JHYVZQIGTYPTFU-AWEZNQCLSA-N 1 0 308.382 2.694 20 5 DFBDRO COc1cccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1[N+](=O)[O-] ZINC000414621187 316632715 /nfs/dbraw/zinc/63/27/15/316632715.db2.gz RDDYQMPAEJTNAA-JTQLQIEISA-N 1 0 306.322 2.699 20 5 DFBDRO CC(C)c1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000414786160 316655648 /nfs/dbraw/zinc/65/56/48/316655648.db2.gz UFGWNYTYYDTGMF-WMLDXEAASA-N 1 0 303.406 2.902 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234348 316708403 /nfs/dbraw/zinc/70/84/03/316708403.db2.gz QFQSYUNKNNAUKG-HUBLWGQQSA-N 1 0 320.393 2.567 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423950789 316783755 /nfs/dbraw/zinc/78/37/55/316783755.db2.gz ODNBIMYXAXDYIL-HNNXBMFYSA-N 1 0 305.378 2.528 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426765772 316825365 /nfs/dbraw/zinc/82/53/65/316825365.db2.gz SAZJSCYEHDOASP-ZIAGYGMSSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000446486488 317012847 /nfs/dbraw/zinc/01/28/47/317012847.db2.gz WGMKHSGENXJUHI-BXUZGUMPSA-N 1 0 306.366 2.507 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(C)(F)C1 ZINC000449378504 317033935 /nfs/dbraw/zinc/03/39/35/317033935.db2.gz XBKHIOSJSUPLPW-VLRKGOCCSA-N 1 0 309.341 2.792 20 5 DFBDRO C[NH+](C)CC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450260871 317077200 /nfs/dbraw/zinc/07/72/00/317077200.db2.gz LMBCXAZNCYTGQK-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000451442423 317112001 /nfs/dbraw/zinc/11/20/01/317112001.db2.gz VYCCSMRFGLRCPA-CQSZACIVSA-N 1 0 307.394 2.998 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451459433 317115565 /nfs/dbraw/zinc/11/55/65/317115565.db2.gz QIWRUHRNZKFEQE-CJNGLKHVSA-N 1 0 320.389 2.647 20 5 DFBDRO CC[C@](C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453291986 317176475 /nfs/dbraw/zinc/17/64/75/317176475.db2.gz CKPILIJUVRBTNC-GZBFAFLISA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3O)o2)cc1 ZINC000453620136 317194508 /nfs/dbraw/zinc/19/45/08/317194508.db2.gz UXHOKIDUFHVPDP-HUUCEWRRSA-N 1 0 302.330 2.858 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488112900 317368358 /nfs/dbraw/zinc/36/83/58/317368358.db2.gz IYTNHHICJBZGRH-CYBMUJFWSA-N 1 0 314.389 2.709 20 5 DFBDRO CC[C@@H]1CN(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCO1 ZINC000494498101 317655905 /nfs/dbraw/zinc/65/59/05/317655905.db2.gz VACIGOWHCGPCAC-HUUCEWRRSA-N 1 0 321.421 2.665 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(O)Cc2ccccc2C1 ZINC000567178366 317956271 /nfs/dbraw/zinc/95/62/71/317956271.db2.gz GTUICLBLEFLDAR-QGZVFWFLSA-N 1 0 324.380 2.702 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(C3CC3)C1)CCC2 ZINC000571193340 317979373 /nfs/dbraw/zinc/97/93/73/317979373.db2.gz FMMHSHODMVFHSU-CXAGYDPISA-N 1 0 301.390 2.799 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)c1 ZINC000574623410 318028448 /nfs/dbraw/zinc/02/84/48/318028448.db2.gz POIQZSNGCNZJKX-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO C[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296043 318116999 /nfs/dbraw/zinc/11/69/99/318116999.db2.gz ZECYIBYIUQJKLH-UONOGXRCSA-N 1 0 319.405 2.689 20 5 DFBDRO CC(C)[NH2+]CCCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000576463477 318127948 /nfs/dbraw/zinc/12/79/48/318127948.db2.gz NNGXLJPZOIAUDJ-UHFFFAOYSA-N 1 0 307.394 2.836 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000576531098 318132853 /nfs/dbraw/zinc/13/28/53/318132853.db2.gz YMJPMXCDYMCWBZ-HNNXBMFYSA-N 1 0 313.357 2.963 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000576717616 318146061 /nfs/dbraw/zinc/14/60/61/318146061.db2.gz KFRJEIMIGIGGIT-CYBMUJFWSA-N 1 0 307.394 2.993 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H]3CCCOC3)c2c1 ZINC000577140980 318173796 /nfs/dbraw/zinc/17/37/96/318173796.db2.gz SWHFPABHNGOLOL-LBPRGKRZSA-N 1 0 303.362 2.635 20 5 DFBDRO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000577737731 318213833 /nfs/dbraw/zinc/21/38/33/318213833.db2.gz RNVHOLUMKIKUGP-KGLIPLIRSA-N 1 0 324.425 2.663 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577745399 318214527 /nfs/dbraw/zinc/21/45/27/318214527.db2.gz IRJFMQKKWNYDER-TYNCELHUSA-N 1 0 318.373 2.904 20 5 DFBDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667110 318277145 /nfs/dbraw/zinc/27/71/45/318277145.db2.gz GZIYJUSMBTVDLV-CZUORRHYSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844006 318288801 /nfs/dbraw/zinc/28/88/01/318288801.db2.gz GJPBUHLEQZICMV-YPMHNXCESA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579258400 318318585 /nfs/dbraw/zinc/31/85/85/318318585.db2.gz LTJLKEFNWBJOON-XHDPSFHLSA-N 1 0 300.362 2.536 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000189756631 323226303 /nfs/dbraw/zinc/22/63/03/323226303.db2.gz LICFFAGLAWAPLI-CYBMUJFWSA-N 1 0 319.405 2.790 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000194005508 323261347 /nfs/dbraw/zinc/26/13/47/323261347.db2.gz DADBREPBFXIMGQ-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000382461268 323299586 /nfs/dbraw/zinc/29/95/86/323299586.db2.gz WDXREOJGTDRCOJ-JGVFFNPUSA-N 1 0 304.272 2.548 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387556316 323326176 /nfs/dbraw/zinc/32/61/76/323326176.db2.gz VYOYIBRNGXWAAO-RISCZKNCSA-N 1 0 307.394 2.796 20 5 DFBDRO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000584286849 332213647 /nfs/dbraw/zinc/21/36/47/332213647.db2.gz KLEIAUHWOMBARS-UMVBOHGHSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000423656395 337726315 /nfs/dbraw/zinc/72/63/15/337726315.db2.gz WWTKIUNJMNUCCH-YVEFUNNKSA-N 1 0 305.381 2.950 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413108602 500767901 /nfs/dbraw/zinc/76/79/01/500767901.db2.gz DTWUFFGQYCZGRM-CQSZACIVSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(F)c(NC(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296764001 533811407 /nfs/dbraw/zinc/81/14/07/533811407.db2.gz ORNMGOAJPQQKTH-PHIMTYICSA-N 1 0 324.356 2.599 20 5 DFBDRO C[C@H](CCCCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000294981203 533857108 /nfs/dbraw/zinc/85/71/08/533857108.db2.gz GNWYUDJBVXVQMF-SNVBAGLBSA-N 1 0 318.320 2.837 20 5 DFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302023325 533865886 /nfs/dbraw/zinc/86/58/86/533865886.db2.gz GQQZIEOGZMIVRS-MCIONIFRSA-N 1 0 321.421 2.865 20 5 DFBDRO C[C@H](CCC[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000310343055 533875986 /nfs/dbraw/zinc/87/59/86/533875986.db2.gz NDSFUUWWMRVHFP-MRVPVSSYSA-N 1 0 302.172 2.897 20 5 DFBDRO C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292361581 533883667 /nfs/dbraw/zinc/88/36/67/533883667.db2.gz LSYVMJPDCYVCJC-CYBMUJFWSA-N 1 0 317.389 2.541 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCC2)c1 ZINC000322464095 534244697 /nfs/dbraw/zinc/24/46/97/534244697.db2.gz MKOOVOSGMSNYBP-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000302084868 534245383 /nfs/dbraw/zinc/24/53/83/534245383.db2.gz KIIDYNZCJHCQKZ-LBPRGKRZSA-N 1 0 321.377 2.668 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000302123443 534245474 /nfs/dbraw/zinc/24/54/74/534245474.db2.gz YVXAWTPSOAMISW-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000248880909 519782073 /nfs/dbraw/zinc/78/20/73/519782073.db2.gz DFBLYXDZOOMCJF-DOMZBBRYSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1nc(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338374 534498885 /nfs/dbraw/zinc/49/88/85/534498885.db2.gz ASGODLPKLOLYHU-DZGCQCFKSA-N 1 0 313.361 2.551 20 5 DFBDRO CCOc1cc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365192474 520699935 /nfs/dbraw/zinc/69/99/35/520699935.db2.gz WRZWJGPQQIVMMQ-GOEBONIOSA-N 1 0 319.405 2.520 20 5 DFBDRO COc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365116555 524448425 /nfs/dbraw/zinc/44/84/25/524448425.db2.gz KARCVDTXUWKBOF-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO O=C(NC[C@H]1CCC[NH2+]1)c1cc2ccccc2c2cccnc12 ZINC000178767294 526596491 /nfs/dbraw/zinc/59/64/91/526596491.db2.gz IPQBEFXLRNGZOF-CQSZACIVSA-N 1 0 305.381 2.870 20 5 DFBDRO Cc1nc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000156808136 526781286 /nfs/dbraw/zinc/78/12/86/526781286.db2.gz PDIJWSRQAIZOIT-UHFFFAOYSA-N 1 0 316.361 2.708 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000157347030 526872046 /nfs/dbraw/zinc/87/20/46/526872046.db2.gz DZSCEVQCFLLKOB-NWDGAFQWSA-N 1 0 323.418 2.521 20 5 DFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649836 527467872 /nfs/dbraw/zinc/46/78/72/527467872.db2.gz PSUUXTNEEALTDE-LBPRGKRZSA-N 1 0 318.352 2.847 20 5 DFBDRO CC(C)(C(=O)NCCC[C@@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000294931860 527519474 /nfs/dbraw/zinc/51/94/74/527519474.db2.gz UNCSASCVSOIJQG-AWEZNQCLSA-N 1 0 319.405 2.521 20 5 DFBDRO CCC1(CO)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000305717806 527767600 /nfs/dbraw/zinc/76/76/00/527767600.db2.gz HLVKBYMYCAHRFL-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CC[NH+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000330801624 527972325 /nfs/dbraw/zinc/97/23/25/527972325.db2.gz AJCIEAGFDCQPGC-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO CCC[C@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000294894080 528244259 /nfs/dbraw/zinc/24/42/59/528244259.db2.gz GNYGPMQWWGSVQV-AWEZNQCLSA-N 1 0 308.378 2.599 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000299141717 528338947 /nfs/dbraw/zinc/33/89/47/528338947.db2.gz YHDZUUDYZJDQNR-UHFFFAOYSA-N 1 0 323.393 2.772 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000298122768 528400896 /nfs/dbraw/zinc/40/08/96/528400896.db2.gz MYCSODGWUHVRCI-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO CCOC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCCC1 ZINC000292881257 528471750 /nfs/dbraw/zinc/47/17/50/528471750.db2.gz DZCYWQYUTDQHBD-UHFFFAOYSA-N 1 0 324.377 2.748 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301507254 529004833 /nfs/dbraw/zinc/00/48/33/529004833.db2.gz AEQMYMRYNPUVSN-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO CC1(C)CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331708380 529012523 /nfs/dbraw/zinc/01/25/23/529012523.db2.gz YZVUHPSNVJKCER-HNNXBMFYSA-N 1 0 317.389 2.822 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000299370661 529024846 /nfs/dbraw/zinc/02/48/46/529024846.db2.gz KWMPPHURTOCVOP-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736859 529337687 /nfs/dbraw/zinc/33/76/87/529337687.db2.gz VJQRORWWJYKCBQ-TZMCWYRMSA-N 1 0 317.389 2.747 20 5 DFBDRO CCC[C@@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354640467 535326919 /nfs/dbraw/zinc/32/69/19/535326919.db2.gz DWBFZYDIKPKVJK-CQSZACIVSA-N 1 0 319.405 2.789 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000357999548 535413149 /nfs/dbraw/zinc/41/31/49/535413149.db2.gz ACVYKOUXZNOXRE-CHWSQXEVSA-N 1 0 318.377 2.929 20 5 DFBDRO CC[NH2+]CC1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000262532088 535461486 /nfs/dbraw/zinc/46/14/86/535461486.db2.gz PSPDQWHQOPLQGL-UHFFFAOYSA-N 1 0 311.357 2.568 20 5 DFBDRO CCC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361109988 535705395 /nfs/dbraw/zinc/70/53/95/535705395.db2.gz OTJDNJYYKXXZNS-PBHICJAKSA-N 1 0 321.421 2.746 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470683 536419596 /nfs/dbraw/zinc/41/95/96/536419596.db2.gz UTASGBSVVINRKF-UONOGXRCSA-N 1 0 322.405 2.845 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245669540 536470897 /nfs/dbraw/zinc/47/08/97/536470897.db2.gz CGEXYKPDMSBPTQ-SWLSCSKDSA-N 1 0 318.377 2.543 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000355319289 536607401 /nfs/dbraw/zinc/60/74/01/536607401.db2.gz TXIKVVDJEQNLAJ-SCXUMTSISA-N 1 0 318.373 2.882 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459246587 299066288 /nfs/dbraw/zinc/06/62/88/299066288.db2.gz CFTUFSGSLCTEKH-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C2CC2)CC1 ZINC000278344992 214103913 /nfs/dbraw/zinc/10/39/13/214103913.db2.gz YOPGUYVIBYIUIN-UHFFFAOYSA-N 1 0 307.325 2.547 20 5 DFBDRO CSC[C@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272869473 210261734 /nfs/dbraw/zinc/26/17/34/210261734.db2.gz SILHBOIVPQOEDG-OAHLLOKOSA-N 1 0 321.402 2.977 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](CC3CC3)CC1)CCN2 ZINC000278481200 214181735 /nfs/dbraw/zinc/18/17/35/214181735.db2.gz VMSCIHLAIGGUHY-UHFFFAOYSA-N 1 0 316.405 2.849 20 5 DFBDRO O=[N+]([O-])c1cnn(Cc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000412987107 295666229 /nfs/dbraw/zinc/66/62/29/295666229.db2.gz ITNHKIWBNIDZGW-UHFFFAOYSA-N 1 0 300.362 2.826 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000413068656 295673606 /nfs/dbraw/zinc/67/36/06/295673606.db2.gz JMZQYDFDTRADCM-AWEZNQCLSA-N 1 0 322.315 2.983 20 5 DFBDRO C[NH+](C)CCOCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000318549136 231171122 /nfs/dbraw/zinc/17/11/22/231171122.db2.gz KLQXAFPHCQOLGG-UHFFFAOYSA-N 1 0 321.299 2.604 20 5 DFBDRO CCn1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278771234 214390173 /nfs/dbraw/zinc/39/01/73/214390173.db2.gz PGDVDGBHYJDVNN-MRXNPFEDSA-N 1 0 300.362 2.978 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278774322 214390742 /nfs/dbraw/zinc/39/07/42/214390742.db2.gz YOXCGDBYLBPABE-TZMCWYRMSA-N 1 0 314.769 2.532 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c2cccnc21 ZINC000318924244 231176206 /nfs/dbraw/zinc/17/62/06/231176206.db2.gz OIGWVPPTCHOPRP-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO Cc1nc2ccccn2c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000320193049 231191934 /nfs/dbraw/zinc/19/19/34/231191934.db2.gz GNRDSUWLAJVAFF-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)c1cccn1C1CC[NH2+]CC1 ZINC000320154531 231192054 /nfs/dbraw/zinc/19/20/54/231192054.db2.gz NZTKGNSQJJLNAU-UHFFFAOYSA-N 1 0 314.345 2.573 20 5 DFBDRO CC(C)OC1CC([NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000459321256 299080037 /nfs/dbraw/zinc/08/00/37/299080037.db2.gz ZPLGLJMBIQZNRJ-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1 ZINC000322605918 231211860 /nfs/dbraw/zinc/21/18/60/231211860.db2.gz YYJAWQPQUJBRBM-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413128184 295678947 /nfs/dbraw/zinc/67/89/47/295678947.db2.gz WNTVKMOINQPTCN-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)CC1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596172602 398347551 /nfs/dbraw/zinc/34/75/51/398347551.db2.gz WAUMAZZWNXUUHH-UHFFFAOYSA-N 1 0 312.801 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)C2)nc1 ZINC000596176010 398348341 /nfs/dbraw/zinc/34/83/41/398348341.db2.gz ZEIBLXCHGPNMTK-LLVKDONJSA-N 1 0 324.344 2.557 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC12CCC2 ZINC000081562711 398358013 /nfs/dbraw/zinc/35/80/13/398358013.db2.gz PWXXCBRYWUDUAN-UHFFFAOYSA-N 1 0 319.361 2.560 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087367830 185222986 /nfs/dbraw/zinc/22/29/86/185222986.db2.gz NRVPKCZFXWAMFX-HUUCEWRRSA-N 1 0 319.405 2.516 20 5 DFBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229955765 398355795 /nfs/dbraw/zinc/35/57/95/398355795.db2.gz SZBAYCIZDMCFBR-LBPRGKRZSA-N 1 0 309.757 2.688 20 5 DFBDRO CC[C@@H](CO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295807999 529504787 /nfs/dbraw/zinc/50/47/87/529504787.db2.gz WOZWZYYQKVIMCQ-JTQLQIEISA-N 1 0 306.284 2.816 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000081633800 398364674 /nfs/dbraw/zinc/36/46/74/398364674.db2.gz YINFQDSOLIKEEY-ZDUSSCGKSA-N 1 0 309.435 2.820 20 5 DFBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000007880515 398367161 /nfs/dbraw/zinc/36/71/61/398367161.db2.gz TTZFMXXHASNSIG-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO CCc1ccc([C@H](CNc2c([N+](=O)[O-])ncn2C)[NH+](C)C)cc1 ZINC000008337574 398371899 /nfs/dbraw/zinc/37/18/99/398371899.db2.gz ZGMCOUDZFCVLGP-AWEZNQCLSA-N 1 0 317.393 2.606 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000596306856 398381663 /nfs/dbraw/zinc/38/16/63/398381663.db2.gz IUOVRCLNWPENTR-LBPRGKRZSA-N 1 0 321.377 2.666 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1SC ZINC000592166726 398395323 /nfs/dbraw/zinc/39/53/23/398395323.db2.gz KCJXFDMHTYZLGR-MCIONIFRSA-N 1 0 314.382 2.733 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2c(c1)COCO2 ZINC000592181327 398397083 /nfs/dbraw/zinc/39/70/83/398397083.db2.gz LVOZOOXWUJIQEG-COLVAYQJSA-N 1 0 304.346 2.740 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000092967453 185350646 /nfs/dbraw/zinc/35/06/46/185350646.db2.gz PDSZQYPRELCSOV-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccncc1 ZINC000181443608 199297504 /nfs/dbraw/zinc/29/75/04/199297504.db2.gz FFFCULMTLCMMLH-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO O=[N+]([O-])c1cnccc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000066808377 398399999 /nfs/dbraw/zinc/39/99/99/398399999.db2.gz GWQKQTWQLWEZDD-UHFFFAOYSA-N 1 0 312.373 2.850 20 5 DFBDRO CC(C)C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000181555126 199316419 /nfs/dbraw/zinc/31/64/19/199316419.db2.gz PWXKTSDDIBBWQH-AWEZNQCLSA-N 1 0 310.394 2.701 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000097024538 185398691 /nfs/dbraw/zinc/39/86/91/185398691.db2.gz FBSZPKHKSBWVIT-HNNXBMFYSA-N 1 0 307.394 2.672 20 5 DFBDRO Cc1nnc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)o1 ZINC000596445039 398414254 /nfs/dbraw/zinc/41/42/54/398414254.db2.gz SDFSGDPQSFCXHC-UHFFFAOYSA-N 1 0 313.317 2.779 20 5 DFBDRO O=[N+]([O-])c1ccc(SCc2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000592357890 398415426 /nfs/dbraw/zinc/41/54/26/398415426.db2.gz SNMLZKOFHSMJQF-LLVKDONJSA-N 1 0 306.347 2.695 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@H]1SC ZINC000592376187 398418222 /nfs/dbraw/zinc/41/82/22/398418222.db2.gz WUPWSAWTFUTETQ-YUELXQCFSA-N 1 0 310.419 2.902 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592380386 398419369 /nfs/dbraw/zinc/41/93/69/398419369.db2.gz UMNDJZNEJZISKK-GMXVVIOVSA-N 1 0 306.362 2.890 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592424651 398424309 /nfs/dbraw/zinc/42/43/09/398424309.db2.gz ZXNYBANHKGQLAN-CQSZACIVSA-N 1 0 318.377 2.699 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000255367162 398424686 /nfs/dbraw/zinc/42/46/86/398424686.db2.gz SIZNCXGRBSWQQG-IJFMQLDHSA-N 1 0 320.414 2.814 20 5 DFBDRO Cc1cc(N2C[C@H]3COC[C@]3(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596480328 398424864 /nfs/dbraw/zinc/42/48/64/398424864.db2.gz NCELZTDEYKGWME-SJCJKPOMSA-N 1 0 313.357 2.924 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592427692 398425497 /nfs/dbraw/zinc/42/54/97/398425497.db2.gz QJDQPXSKQDNMIS-SWLSCSKDSA-N 1 0 307.394 2.553 20 5 DFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000592487974 398432716 /nfs/dbraw/zinc/43/27/16/398432716.db2.gz DUOPLAXRFVJYBH-BBRMVZONSA-N 1 0 321.421 2.941 20 5 DFBDRO Cc1cc(N[C@@H]2C[C@H](O)C23CCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596512701 398435332 /nfs/dbraw/zinc/43/53/32/398435332.db2.gz SBCIEFHAUNEMHN-CVEARBPZSA-N 1 0 313.357 2.589 20 5 DFBDRO O=C(N[C@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000592571252 398446655 /nfs/dbraw/zinc/44/66/55/398446655.db2.gz WJOWWKFJTUPOCQ-ZDUSSCGKSA-N 1 0 323.780 2.653 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@H]2CNC(=O)C2)C1 ZINC000585786331 398446755 /nfs/dbraw/zinc/44/67/55/398446755.db2.gz OUSWREKYITUXNO-BPLDGKMQSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1ccnc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558307 398447310 /nfs/dbraw/zinc/44/73/10/398447310.db2.gz QDPKPZPYRWOEQO-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000286735234 219136763 /nfs/dbraw/zinc/13/67/63/219136763.db2.gz XWWNOPQLVYSELL-WLRQEKSISA-N 1 0 302.374 2.758 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596570718 398449881 /nfs/dbraw/zinc/44/98/81/398449881.db2.gz NAOVZOZOBGOLKY-LBPRGKRZSA-N 1 0 308.357 2.663 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302180066 530061269 /nfs/dbraw/zinc/06/12/69/530061269.db2.gz ZBZCZYLUHNMCAO-SNVBAGLBSA-N 1 0 315.320 2.950 20 5 DFBDRO C[N@@H+](Cc1ccsc1)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026715691 398455574 /nfs/dbraw/zinc/45/55/74/398455574.db2.gz PFPNPPLAHOWGES-AWEZNQCLSA-N 1 0 322.386 2.528 20 5 DFBDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000596598144 398457383 /nfs/dbraw/zinc/45/73/83/398457383.db2.gz CFLIXJUUVCPOTE-UHFFFAOYSA-N 1 0 314.389 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000083410569 192369353 /nfs/dbraw/zinc/36/93/53/192369353.db2.gz KEZRGUYKBQSGNS-QGZVFWFLSA-N 1 0 320.389 2.755 20 5 DFBDRO C[NH+](C)CCOc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000596634987 398466111 /nfs/dbraw/zinc/46/61/11/398466111.db2.gz UODDPYYJTZKFOL-UHFFFAOYSA-N 1 0 316.357 2.695 20 5 DFBDRO CCOc1ccc([C@H](C)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596648236 398471445 /nfs/dbraw/zinc/47/14/45/398471445.db2.gz MXEIDUDIVJPDJA-LBPRGKRZSA-N 1 0 307.394 2.916 20 5 DFBDRO Nc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000596650999 398472345 /nfs/dbraw/zinc/47/23/45/398472345.db2.gz NHHKXMLKPLHFIF-LSDHHAIUSA-N 1 0 315.377 2.647 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046444493 282377406 /nfs/dbraw/zinc/37/74/06/282377406.db2.gz YETUORADAWNFEC-INIZCTEOSA-N 1 0 322.405 2.989 20 5 DFBDRO C[N@H+](Cc1ccccc1)C1CN(c2sccc2[N+](=O)[O-])C1 ZINC000588072465 398479998 /nfs/dbraw/zinc/47/99/98/398479998.db2.gz BFCBPNMFZPLUHH-UHFFFAOYSA-N 1 0 303.387 2.977 20 5 DFBDRO CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000592772201 398482830 /nfs/dbraw/zinc/48/28/30/398482830.db2.gz MGWVYUFEYZRUPD-CABCVRRESA-N 1 0 307.394 2.748 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000090572914 398489326 /nfs/dbraw/zinc/48/93/26/398489326.db2.gz HISPOFCTNIGYFE-JQFCIGGWSA-N 1 0 321.421 2.745 20 5 DFBDRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000090572918 398489507 /nfs/dbraw/zinc/48/95/07/398489507.db2.gz HISPOFCTNIGYFE-COXVUDFISA-N 1 0 321.421 2.745 20 5 DFBDRO CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090553146 398489543 /nfs/dbraw/zinc/48/95/43/398489543.db2.gz YVTRDMBMDKYAMM-DOMZBBRYSA-N 1 0 322.409 2.685 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000588231207 398490881 /nfs/dbraw/zinc/49/08/81/398490881.db2.gz HQJBNLHPTOEKFS-OCCSQVGLSA-N 1 0 310.394 2.909 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000068443583 398504753 /nfs/dbraw/zinc/50/47/53/398504753.db2.gz BHCSLBHQZXVFLE-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO COC[C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000272686664 210089142 /nfs/dbraw/zinc/08/91/42/210089142.db2.gz OKLMAUIEZMBPPT-ZDUSSCGKSA-N 1 0 320.345 2.606 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593013669 398520244 /nfs/dbraw/zinc/52/02/44/398520244.db2.gz RGOSGJLNFSECQE-OAHLLOKOSA-N 1 0 319.405 2.532 20 5 DFBDRO CC[C@H]([NH2+]CCc1cncc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000593017856 398521536 /nfs/dbraw/zinc/52/15/36/398521536.db2.gz CNUIOIXDCZGRQJ-INIZCTEOSA-N 1 0 300.362 2.977 20 5 DFBDRO Cc1sc(C(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000068779623 398526441 /nfs/dbraw/zinc/52/64/41/398526441.db2.gz XESDBPYICHTFAS-UHFFFAOYSA-N 1 0 311.407 2.521 20 5 DFBDRO O=[N+]([O-])c1cc(N2CC[NH+](C3CC3)CC2)ccc1C(F)(F)F ZINC000589108613 398526657 /nfs/dbraw/zinc/52/66/57/398526657.db2.gz HHYJXHFZYRQGQA-UHFFFAOYSA-N 1 0 315.295 2.898 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596912373 398528816 /nfs/dbraw/zinc/52/88/16/398528816.db2.gz GDCGNSWWPDJSPR-NSHDSACASA-N 1 0 308.382 2.619 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000183422468 199591999 /nfs/dbraw/zinc/59/19/99/199591999.db2.gz OYXXBDMMBNNDGW-HNNXBMFYSA-N 1 0 303.362 2.889 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000032732199 398537359 /nfs/dbraw/zinc/53/73/59/398537359.db2.gz WNBIVZKEOPZBAK-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO CC(C)C[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236646457 201946674 /nfs/dbraw/zinc/94/66/74/201946674.db2.gz HQJAAXOXUOKWDT-ZDUSSCGKSA-N 1 0 313.785 2.580 20 5 DFBDRO Cn1cnc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000414120134 295769220 /nfs/dbraw/zinc/76/92/20/295769220.db2.gz ASXSQZRPYZBRKQ-MRXNPFEDSA-N 1 0 314.389 2.883 20 5 DFBDRO C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593082941 398540599 /nfs/dbraw/zinc/54/05/99/398540599.db2.gz YXDILFKLJVOJBA-NSHDSACASA-N 1 0 303.362 2.844 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000444782786 297250839 /nfs/dbraw/zinc/25/08/39/297250839.db2.gz KQYPXDXZSZZAPW-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000320588836 398548748 /nfs/dbraw/zinc/54/87/48/398548748.db2.gz OEYKXJHAAFWSSP-NSHDSACASA-N 1 0 309.366 2.522 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(C(=O)OC)CCC1 ZINC000272604948 210003090 /nfs/dbraw/zinc/00/30/90/210003090.db2.gz YJFDHVZUVPSCBC-AWEZNQCLSA-N 1 0 306.362 2.806 20 5 DFBDRO Cc1ccc(NC(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593131926 398554471 /nfs/dbraw/zinc/55/44/71/398554471.db2.gz NBRFVXNICNEXNH-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322025022 398555593 /nfs/dbraw/zinc/55/55/93/398555593.db2.gz VVYYQWXRVYJTJJ-WFASDCNBSA-N 1 0 318.377 2.591 20 5 DFBDRO CC(=O)c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000322417461 398557799 /nfs/dbraw/zinc/55/77/99/398557799.db2.gz UPNVCIDWGZZVQV-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000589502050 398556983 /nfs/dbraw/zinc/55/69/83/398556983.db2.gz GRKYFSSCTXPXHT-NWDGAFQWSA-N 1 0 306.362 2.859 20 5 DFBDRO COC(=O)c1oc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cc1C ZINC000597061217 398559221 /nfs/dbraw/zinc/55/92/21/398559221.db2.gz LHYMXTCMACJRAM-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597075712 398560833 /nfs/dbraw/zinc/56/08/33/398560833.db2.gz KOECNLGZLKSAHH-ZFWWWQNUSA-N 1 0 310.781 2.948 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000414310203 295787123 /nfs/dbraw/zinc/78/71/23/295787123.db2.gz ZLFQKUYDWPPJGD-BIMULSAOSA-N 1 0 300.305 2.794 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593203860 398571468 /nfs/dbraw/zinc/57/14/68/398571468.db2.gz ISPQPSGJQKHJHK-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000279887537 215208189 /nfs/dbraw/zinc/20/81/89/215208189.db2.gz KONAPTHFPZZISF-SGMGOOAPSA-N 1 0 306.362 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1CCCC1 ZINC000041895722 398575650 /nfs/dbraw/zinc/57/56/50/398575650.db2.gz LPXXCZOZPMZQES-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO CC1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC[NH2+]CC1 ZINC000593229595 398576150 /nfs/dbraw/zinc/57/61/50/398576150.db2.gz NAMDPIXUGJCYNB-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO CC(C)[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000593229709 398576245 /nfs/dbraw/zinc/57/62/45/398576245.db2.gz QQUPNIBYUXJTQN-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000069612120 398577245 /nfs/dbraw/zinc/57/72/45/398577245.db2.gz STJJROQSZOJIAH-UHFFFAOYSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1c(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000069615738 398578529 /nfs/dbraw/zinc/57/85/29/398578529.db2.gz CJMKPKJDEKZXKL-UHFFFAOYSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042110482 398582817 /nfs/dbraw/zinc/58/28/17/398582817.db2.gz DHGZDRXTVRUQOP-JTQLQIEISA-N 1 0 309.395 2.590 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936502 215252254 /nfs/dbraw/zinc/25/22/54/215252254.db2.gz XBJUGICNOSJGKP-ZFWWWQNUSA-N 1 0 308.378 2.599 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCCC2)c1 ZINC000042506005 398592806 /nfs/dbraw/zinc/59/28/06/398592806.db2.gz BGDRDRGSBYYOTI-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133468826 185987766 /nfs/dbraw/zinc/98/77/66/185987766.db2.gz SJBYASBXQZEOJS-CABCVRRESA-N 1 0 300.362 2.717 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000597234973 398599716 /nfs/dbraw/zinc/59/97/16/398599716.db2.gz BDDVJHSJHKMGQQ-ZBFHGGJFSA-N 1 0 306.362 2.806 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000070791793 398600311 /nfs/dbraw/zinc/60/03/11/398600311.db2.gz NPHRZIQYMWNKJN-NSHDSACASA-N 1 0 323.422 2.980 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](O)C1CC1 ZINC000590161234 398602254 /nfs/dbraw/zinc/60/22/54/398602254.db2.gz MOSKKFTXDGJMOL-CYBMUJFWSA-N 1 0 318.295 2.816 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000043084410 398612125 /nfs/dbraw/zinc/61/21/25/398612125.db2.gz IZJDYDOSOCDTGC-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000459694150 299166134 /nfs/dbraw/zinc/16/61/34/299166134.db2.gz DEHAUYBLLYJRPJ-ZFWWWQNUSA-N 1 0 318.373 2.604 20 5 DFBDRO CC[NH2+]CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596886 398626019 /nfs/dbraw/zinc/62/60/19/398626019.db2.gz HBSYJQZFHRSGEC-UHFFFAOYSA-N 1 0 302.172 2.769 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2ccnc2)cc1[N+](=O)[O-] ZINC000152590481 186087760 /nfs/dbraw/zinc/08/77/60/186087760.db2.gz JJZDPNAFSRWYEU-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152756838 186099231 /nfs/dbraw/zinc/09/92/31/186099231.db2.gz LOFFZIVYFXCFCG-ZYHUDNBSSA-N 1 0 323.780 2.557 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc(C(C)C)c([N+](=O)[O-])c2)n1 ZINC000414639109 295810214 /nfs/dbraw/zinc/81/02/14/295810214.db2.gz DYKWOUSFHKVVSP-JTQLQIEISA-N 1 0 304.350 2.919 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465788 398637442 /nfs/dbraw/zinc/63/74/42/398637442.db2.gz SXGNTEWGWNNEGD-MEDUHNTESA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000593466113 398637699 /nfs/dbraw/zinc/63/76/99/398637699.db2.gz VWTHZMVGBLORKV-CQSZACIVSA-N 1 0 310.357 2.594 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000164177983 186151054 /nfs/dbraw/zinc/15/10/54/186151054.db2.gz BGYQYUUVJFUVSS-SWLSCSKDSA-N 1 0 303.366 2.706 20 5 DFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000177868088 186196301 /nfs/dbraw/zinc/19/63/01/186196301.db2.gz UWDFGOFJVCOZNV-WDEREUQCSA-N 1 0 302.334 2.875 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000593477602 398640928 /nfs/dbraw/zinc/64/09/28/398640928.db2.gz DRKPFJYUKUFOBG-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044355763 398641625 /nfs/dbraw/zinc/64/16/25/398641625.db2.gz ODSDKJYICBTVTJ-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO CC(C)(O)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000189954344 186254849 /nfs/dbraw/zinc/25/48/49/186254849.db2.gz IAVYLWWYZIQHGL-UHFFFAOYSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000093870123 398648366 /nfs/dbraw/zinc/64/83/66/398648366.db2.gz LDCDTQVUKNTNAQ-HNNXBMFYSA-N 1 0 314.389 2.701 20 5 DFBDRO Cc1cc(NCCC2(CO)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000593512482 398650124 /nfs/dbraw/zinc/65/01/24/398650124.db2.gz PLAPBGQCDATZMJ-UHFFFAOYSA-N 1 0 315.373 2.838 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292046644 222805698 /nfs/dbraw/zinc/80/56/98/222805698.db2.gz ISRQQEMFAMUROJ-HNNXBMFYSA-N 1 0 319.405 2.864 20 5 DFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@@H]1CC[NH2+]C1 ZINC000094296483 398656733 /nfs/dbraw/zinc/65/67/33/398656733.db2.gz ZQOMIAKJFWNRLA-SECBINFHSA-N 1 0 315.167 2.654 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@H]3CCC[NH2+]3)o2)c1 ZINC000414822002 295822062 /nfs/dbraw/zinc/82/20/62/295822062.db2.gz DFZJQHMDCHAWRX-CYBMUJFWSA-N 1 0 301.346 2.696 20 5 DFBDRO C[NH2+]CCCOc1c(C)cc(Br)cc1[N+](=O)[O-] ZINC000094296683 398656819 /nfs/dbraw/zinc/65/68/19/398656819.db2.gz CZYHGQYRZIXHKR-UHFFFAOYSA-N 1 0 303.156 2.654 20 5 DFBDRO C[NH2+]C[C@H](C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414842561 295824823 /nfs/dbraw/zinc/82/48/23/295824823.db2.gz PCCHNEXFXWNGSX-LBPRGKRZSA-N 1 0 303.362 2.800 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[NH2+]C3)o2)c(Cl)c1 ZINC000414864136 295827672 /nfs/dbraw/zinc/82/76/72/295827672.db2.gz BIWIOTGHWMWBRK-JTQLQIEISA-N 1 0 321.764 2.960 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000593662401 398667981 /nfs/dbraw/zinc/66/79/81/398667981.db2.gz CQQMIYPVLTYURM-UHFFFAOYSA-N 1 0 306.362 2.904 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763370 299184901 /nfs/dbraw/zinc/18/49/01/299184901.db2.gz CIKZVKGZRDIDLC-AGIUHOORSA-N 1 0 303.362 2.620 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCC[C@H]3O)cs2)c1 ZINC000172633020 198129151 /nfs/dbraw/zinc/12/91/51/198129151.db2.gz GWWCJBKZMMHZFU-ZIAGYGMSSA-N 1 0 319.386 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772504 299187813 /nfs/dbraw/zinc/18/78/13/299187813.db2.gz IBYHBIRTUYTLTA-XBFCOCLRSA-N 1 0 303.362 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000414955023 295840434 /nfs/dbraw/zinc/84/04/34/295840434.db2.gz MKCPBLJAJHHZRN-KRWDZBQOSA-N 1 0 315.348 2.711 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000590781115 398673202 /nfs/dbraw/zinc/67/32/02/398673202.db2.gz UNQZYOWRICAFNB-MRXNPFEDSA-N 1 0 324.384 2.799 20 5 DFBDRO CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718884 398676132 /nfs/dbraw/zinc/67/61/32/398676132.db2.gz AGGFBLNTCOLQQV-CVEARBPZSA-N 1 0 308.378 2.567 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](CC(C)C)C1CC1 ZINC000072559772 191193873 /nfs/dbraw/zinc/19/38/73/191193873.db2.gz CVKFQYGJJBSOBI-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO NC(=O)c1ccc(C[NH2+]C2(C3CCC3)CCC2)c([N+](=O)[O-])c1 ZINC000459782130 299190856 /nfs/dbraw/zinc/19/08/56/299190856.db2.gz XPJUQTYTCKRQCL-UHFFFAOYSA-N 1 0 303.362 2.506 20 5 DFBDRO [NH3+]CCC[N@@H+](Cc1cc([O-])ccc1[N+](=O)[O-])CC1CCCC1 ZINC000593727533 398678072 /nfs/dbraw/zinc/67/80/72/398678072.db2.gz OZXKXDWTMVINKU-UHFFFAOYSA-N 1 0 307.394 2.641 20 5 DFBDRO COc1ccc(-c2ccc(CN[C@H](C)[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024158 295848166 /nfs/dbraw/zinc/84/81/66/295848166.db2.gz YCUGXTPVTNEKQC-WDEREUQCSA-N 1 0 319.361 2.689 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000590830552 398683694 /nfs/dbraw/zinc/68/36/94/398683694.db2.gz PFIUCOPITMSPTL-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000590899588 398697609 /nfs/dbraw/zinc/69/76/09/398697609.db2.gz YTYUVLIQVLVBTF-AAEUAGOBSA-N 1 0 305.378 2.670 20 5 DFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1cccc([N+](=O)[O-])c1)C2 ZINC000174180167 198303090 /nfs/dbraw/zinc/30/30/90/198303090.db2.gz GIFUHYCMIVVVLA-AGUYFDCRSA-N 1 0 318.377 2.732 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073800207 398702128 /nfs/dbraw/zinc/70/21/28/398702128.db2.gz KDQQUCYXMXCESA-JTQLQIEISA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859986 398706229 /nfs/dbraw/zinc/70/62/29/398706229.db2.gz JEZUDNMYLVJZCB-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861715 398706348 /nfs/dbraw/zinc/70/63/48/398706348.db2.gz WAVBPMAXFRETMD-IUODEOHRSA-N 1 0 319.405 2.687 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597859778 398706513 /nfs/dbraw/zinc/70/65/13/398706513.db2.gz XRIYDHTXSAAZNY-OAHLLOKOSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@@H](c1cc(F)ccc1F)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174822994 198389560 /nfs/dbraw/zinc/38/95/60/198389560.db2.gz CNVWRUDAERGDEZ-JTQLQIEISA-N 1 0 310.304 2.763 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108494629 398710777 /nfs/dbraw/zinc/71/07/77/398710777.db2.gz FMDGUARDWIREEE-ZDUSSCGKSA-N 1 0 318.377 2.509 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000108494596 398711557 /nfs/dbraw/zinc/71/15/57/398711557.db2.gz QIXJVUHYKIBCKV-CQSZACIVSA-N 1 0 318.377 2.509 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415303788 295876078 /nfs/dbraw/zinc/87/60/78/295876078.db2.gz VHBBHQODVXAXMU-ZDUSSCGKSA-N 1 0 320.393 2.723 20 5 DFBDRO COc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046820 213261144 /nfs/dbraw/zinc/26/11/44/213261144.db2.gz PUZZNRIPNXADBE-WCQYABFASA-N 1 0 323.368 2.663 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597923672 398721758 /nfs/dbraw/zinc/72/17/58/398721758.db2.gz OCWGLQHBEMNAMV-CQSZACIVSA-N 1 0 319.405 2.760 20 5 DFBDRO Cc1c(C(=O)NCC2([NH+](C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000046868414 398722955 /nfs/dbraw/zinc/72/29/55/398722955.db2.gz HHILSOYSIWRBPE-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000176814803 198625707 /nfs/dbraw/zinc/62/57/07/198625707.db2.gz OHZRJCUSUNTWKI-UHFFFAOYSA-N 1 0 321.421 2.840 20 5 DFBDRO Cc1cc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415437968 295883053 /nfs/dbraw/zinc/88/30/53/295883053.db2.gz PLYQEVJMXBURDH-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000415428367 295882854 /nfs/dbraw/zinc/88/28/54/295882854.db2.gz HBXSFVVJMVSXTL-PBWFPOADSA-N 1 0 318.377 2.650 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415479230 295886198 /nfs/dbraw/zinc/88/61/98/295886198.db2.gz FHPRAPXXYUDQED-OAHLLOKOSA-N 1 0 308.382 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000597993917 398735201 /nfs/dbraw/zinc/73/52/01/398735201.db2.gz WBOUGFLFRALJOO-GFCCVEGCSA-N 1 0 307.394 2.788 20 5 DFBDRO Cc1cc(N2C[C@H](C)[NH2+]C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000591433964 398759323 /nfs/dbraw/zinc/75/93/23/398759323.db2.gz YOLAUNJVFWZFEI-NWDGAFQWSA-N 1 0 300.362 2.638 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1C(F)(F)F ZINC000591436905 398760383 /nfs/dbraw/zinc/76/03/83/398760383.db2.gz CMWRUKZLSJUQGE-JOYOIKCWSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591438673 398760909 /nfs/dbraw/zinc/76/09/09/398760909.db2.gz PHYDXQRTDWEXAZ-ONGXEEELSA-N 1 0 315.295 2.802 20 5 DFBDRO CC[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591437830 398761035 /nfs/dbraw/zinc/76/10/35/398761035.db2.gz OVXTZNXPFXTHGN-WCQYABFASA-N 1 0 300.362 2.707 20 5 DFBDRO COc1cccc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591443163 398762365 /nfs/dbraw/zinc/76/23/65/398762365.db2.gz XKUUAKDFPKNVCS-KGLIPLIRSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N2CCCC[C@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749572 398764159 /nfs/dbraw/zinc/76/41/59/398764159.db2.gz LCEWGOCEBLJRHL-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202872 398764952 /nfs/dbraw/zinc/76/49/52/398764952.db2.gz UEWLRVUPDBGSKI-JKSUJKDBSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618440 283160681 /nfs/dbraw/zinc/16/06/81/283160681.db2.gz HJTHXBLHPTZAEL-HZMBPMFUSA-N 1 0 311.332 2.794 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416105524 295921388 /nfs/dbraw/zinc/92/13/88/295921388.db2.gz LJUYWWYKISCBBN-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000591542671 398771388 /nfs/dbraw/zinc/77/13/88/398771388.db2.gz JTUHKWMDEXZJBW-CQSZACIVSA-N 1 0 319.405 2.814 20 5 DFBDRO CN(CC[NH3+])C(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000591587069 398773666 /nfs/dbraw/zinc/77/36/66/398773666.db2.gz PHOQKLFXALORKJ-UHFFFAOYSA-N 1 0 323.418 2.660 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000598260330 398779380 /nfs/dbraw/zinc/77/93/80/398779380.db2.gz AUOOGASVNAQVQN-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000236873798 202046475 /nfs/dbraw/zinc/04/64/75/202046475.db2.gz WILCUTPQYQIMEZ-UHFFFAOYSA-N 1 0 318.377 2.512 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000081732374 192317703 /nfs/dbraw/zinc/31/77/03/192317703.db2.gz MPSVFSBWZHGYBR-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598264904 398780389 /nfs/dbraw/zinc/78/03/89/398780389.db2.gz RPAKIMUKECQHRF-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000591728263 398782690 /nfs/dbraw/zinc/78/26/90/398782690.db2.gz FMEZCNMDTDELDS-CXAGYDPISA-N 1 0 300.358 2.849 20 5 DFBDRO O=C(CC[NH2+]C[C@H]1CCCCS1)Nc1ccccc1[N+](=O)[O-] ZINC000591759189 398784822 /nfs/dbraw/zinc/78/48/22/398784822.db2.gz HOIKFBPQUDSUIX-GFCCVEGCSA-N 1 0 323.418 2.799 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000594389992 398791290 /nfs/dbraw/zinc/79/12/90/398791290.db2.gz QKDGRAFFLHKJEL-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122525620 398792324 /nfs/dbraw/zinc/79/23/24/398792324.db2.gz FZBQJEIYDINYEB-VIFPVBQESA-N 1 0 315.167 2.736 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC1CC1 ZINC000135264202 283212941 /nfs/dbraw/zinc/21/29/41/283212941.db2.gz DNFUPSVTMUKTHX-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[NH+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]2C1 ZINC000362676204 283213786 /nfs/dbraw/zinc/21/37/86/283213786.db2.gz UPOAEEXLDBAIAB-HUUCEWRRSA-N 1 0 324.384 2.655 20 5 DFBDRO CCOc1cc(CN2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000276925117 213179657 /nfs/dbraw/zinc/17/96/57/213179657.db2.gz PTZRVQPTMGVJBZ-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276872593 213146971 /nfs/dbraw/zinc/14/69/71/213146971.db2.gz HSSGNAQEOQKJSV-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276848435 213132077 /nfs/dbraw/zinc/13/20/77/213132077.db2.gz DDEHDESGAGSBJU-ZBFHGGJFSA-N 1 0 322.405 2.976 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000276829247 213119731 /nfs/dbraw/zinc/11/97/31/213119731.db2.gz BILVQQZRRSYAIK-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594495860 398809648 /nfs/dbraw/zinc/80/96/48/398809648.db2.gz DEHFAVMHBJXGMJ-WQGACYEGSA-N 1 0 301.390 2.797 20 5 DFBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000594516972 398814476 /nfs/dbraw/zinc/81/44/76/398814476.db2.gz ZZTSXKIEHPEKIJ-JTQLQIEISA-N 1 0 312.341 2.801 20 5 DFBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(=O)OC(C)(C)C ZINC000594516973 398814724 /nfs/dbraw/zinc/81/47/24/398814724.db2.gz ZZTSXKIEHPEKIJ-SNVBAGLBSA-N 1 0 312.341 2.801 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(Cl)c3)CC2)c1 ZINC000179666940 199072868 /nfs/dbraw/zinc/07/28/68/199072868.db2.gz MVEYWUDIYPRWAO-UHFFFAOYSA-N 1 0 306.753 2.724 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000598466828 398818086 /nfs/dbraw/zinc/81/80/86/398818086.db2.gz WQXPQAUHFCPTBT-UHFFFAOYSA-N 1 0 321.421 2.764 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000594590757 398825792 /nfs/dbraw/zinc/82/57/92/398825792.db2.gz ADALECXCLBWXMS-BJHJDKERSA-N 1 0 300.362 2.895 20 5 DFBDRO COC(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000594604979 398829527 /nfs/dbraw/zinc/82/95/27/398829527.db2.gz CKVPCPCLVWJUCR-AWEZNQCLSA-N 1 0 318.373 2.905 20 5 DFBDRO COCCOC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075953766 398830196 /nfs/dbraw/zinc/83/01/96/398830196.db2.gz GHUVNLLVTANVSS-KGLIPLIRSA-N 1 0 308.378 2.641 20 5 DFBDRO COc1ccc(CNCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000276699605 213054251 /nfs/dbraw/zinc/05/42/51/213054251.db2.gz MVFCXXGUDKXQKF-UHFFFAOYSA-N 1 0 321.421 2.815 20 5 DFBDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000266877959 299271224 /nfs/dbraw/zinc/27/12/24/299271224.db2.gz ORKBULJWVOQAAO-LBPRGKRZSA-N 1 0 306.362 2.931 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594692997 398843179 /nfs/dbraw/zinc/84/31/79/398843179.db2.gz HLDCVFAPVUQKGI-GFCCVEGCSA-N 1 0 324.812 2.859 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000152649759 283333134 /nfs/dbraw/zinc/33/31/34/283333134.db2.gz GZKGHHLXPJIVTE-LBPRGKRZSA-N 1 0 307.394 2.738 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180259799 199137656 /nfs/dbraw/zinc/13/76/56/199137656.db2.gz YTFKRUSXWCAWEO-CJNGLKHVSA-N 1 0 308.378 2.831 20 5 DFBDRO COCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000052607503 398847667 /nfs/dbraw/zinc/84/76/67/398847667.db2.gz HFRZZLHHLVSGQI-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC[C@H]1CC1(F)F)OCCO2 ZINC000598648261 398847377 /nfs/dbraw/zinc/84/73/77/398847377.db2.gz PHQNNPLXIBAVRP-JTQLQIEISA-N 1 0 314.288 2.501 20 5 DFBDRO O=[N+]([O-])c1ccccc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000594739932 398853156 /nfs/dbraw/zinc/85/31/56/398853156.db2.gz SYYFPKMVJUTJJH-QGZVFWFLSA-N 1 0 313.357 2.868 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180341732 199148335 /nfs/dbraw/zinc/14/83/35/199148335.db2.gz OUEIZDXXFPKIDZ-CQSZACIVSA-N 1 0 319.405 2.734 20 5 DFBDRO O=[N+]([O-])c1cc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cs1 ZINC000594738437 398853466 /nfs/dbraw/zinc/85/34/66/398853466.db2.gz DDJMPOFUZVBHMZ-AWEZNQCLSA-N 1 0 319.386 2.929 20 5 DFBDRO O=[N+]([O-])c1ccccc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000594739931 398853577 /nfs/dbraw/zinc/85/35/77/398853577.db2.gz SYYFPKMVJUTJJH-KRWDZBQOSA-N 1 0 313.357 2.868 20 5 DFBDRO CC(C)N(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000180451398 199160024 /nfs/dbraw/zinc/16/00/24/199160024.db2.gz BEBLYIPCXPFCBI-CYBMUJFWSA-N 1 0 307.394 2.891 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000076392648 398854448 /nfs/dbraw/zinc/85/44/48/398854448.db2.gz SGHKBBCGTYGYGL-TZMCWYRMSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180392469 199153349 /nfs/dbraw/zinc/15/33/49/199153349.db2.gz DQAJAFZYGHPTQR-CYBMUJFWSA-N 1 0 305.378 2.648 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000076694327 398865700 /nfs/dbraw/zinc/86/57/00/398865700.db2.gz ONHZESDABMUCHA-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000237341422 202238452 /nfs/dbraw/zinc/23/84/52/202238452.db2.gz IJWDXKWISLMZPW-GXTWGEPZSA-N 1 0 317.389 2.510 20 5 DFBDRO Cc1nn(C)c(NCCCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000076795595 398870360 /nfs/dbraw/zinc/87/03/60/398870360.db2.gz HEEVPOVUFXKLKW-GFCCVEGCSA-N 1 0 309.414 2.561 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccnn1CC1CC1 ZINC000594930674 398874234 /nfs/dbraw/zinc/87/42/34/398874234.db2.gz ZBPXMMJJCKLTHF-UHFFFAOYSA-N 1 0 300.362 2.534 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000053583417 398878057 /nfs/dbraw/zinc/87/80/57/398878057.db2.gz CBKOZPXYVLEZGZ-NSHDSACASA-N 1 0 308.338 2.647 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000594938571 398876792 /nfs/dbraw/zinc/87/67/92/398876792.db2.gz LOKXMKNMPDPZKE-RABLLNBGSA-N 1 0 306.362 2.833 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(Cl)c1 ZINC000180720917 199200608 /nfs/dbraw/zinc/20/06/08/199200608.db2.gz XTGIJMGHNOHNPV-VIFPVBQESA-N 1 0 312.732 2.935 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000139184782 398881536 /nfs/dbraw/zinc/88/15/36/398881536.db2.gz XREWLKCFFRUYEB-ZDUSSCGKSA-N 1 0 319.405 2.716 20 5 DFBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594950125 398879498 /nfs/dbraw/zinc/87/94/98/398879498.db2.gz IZIKUHLLOCXYMU-IEVHZMJVSA-N 1 0 320.389 2.639 20 5 DFBDRO CC[C@H](COCC1CC1)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000594955572 398880848 /nfs/dbraw/zinc/88/08/48/398880848.db2.gz CARTWUADQMJTSF-CYBMUJFWSA-N 1 0 324.377 2.604 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])cc1O ZINC000594974819 398884439 /nfs/dbraw/zinc/88/44/39/398884439.db2.gz JXLGWGMWSXTJFB-GMXVVIOVSA-N 1 0 306.362 2.835 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccnc2N2CCCC2)cc1 ZINC000594957525 398882106 /nfs/dbraw/zinc/88/21/06/398882106.db2.gz QTBNTTWQTLNSNI-UHFFFAOYSA-N 1 0 312.373 2.880 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594962028 398882681 /nfs/dbraw/zinc/88/26/81/398882681.db2.gz CWNPSRQDWATLIS-ZMOMAAQPSA-N 1 0 310.419 2.683 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963971 398883273 /nfs/dbraw/zinc/88/32/73/398883273.db2.gz YNLZUZOPTOMQHF-FTFVXWMISA-N 1 0 314.382 2.513 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H](C)O2)c([N+](=O)[O-])cc1OC ZINC000594985922 398887198 /nfs/dbraw/zinc/88/71/98/398887198.db2.gz PZEUQOQLZCDYAT-AAEUAGOBSA-N 1 0 324.377 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c(F)c1 ZINC000594976762 398885268 /nfs/dbraw/zinc/88/52/68/398885268.db2.gz GSGULCBLTSTKQL-ZDUSSCGKSA-N 1 0 320.295 2.966 20 5 DFBDRO COc1cc(C[NH2+]CC[C@]2(C)CC2(F)F)c([N+](=O)[O-])cc1O ZINC000594977680 398885820 /nfs/dbraw/zinc/88/58/20/398885820.db2.gz NLPMJMUJWORQGA-CYBMUJFWSA-N 1 0 316.304 2.834 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000595000575 398889427 /nfs/dbraw/zinc/88/94/27/398889427.db2.gz LWJCGNMHJKCJHA-BXUZGUMPSA-N 1 0 306.387 2.911 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000595005572 398890057 /nfs/dbraw/zinc/89/00/57/398890057.db2.gz ASQNVXFUPRCARC-RYUDHWBXSA-N 1 0 304.350 2.539 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nccs1 ZINC000595015494 398891550 /nfs/dbraw/zinc/89/15/50/398891550.db2.gz OJHICFWIBNRQQX-SNVBAGLBSA-N 1 0 307.375 2.953 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008196 398890714 /nfs/dbraw/zinc/89/07/14/398890714.db2.gz BUTWJPOBSRHMLF-OLZOCXBDSA-N 1 0 307.394 2.596 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CSCCF ZINC000595010854 398890777 /nfs/dbraw/zinc/89/07/77/398890777.db2.gz JEEFXPZVDUDCRO-SNVBAGLBSA-N 1 0 302.371 2.784 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598912955 398892283 /nfs/dbraw/zinc/89/22/83/398892283.db2.gz DBKQDFRWECCNJC-LDYMZIIASA-N 1 0 312.757 2.510 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000185337448 199840008 /nfs/dbraw/zinc/84/00/08/199840008.db2.gz UYMVXHQUVIYYGA-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO CC(C)(CCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914103 398892692 /nfs/dbraw/zinc/89/26/92/398892692.db2.gz XVWHPPIXMIJRRO-UHFFFAOYSA-N 1 0 314.773 2.887 20 5 DFBDRO CC1([NH3+])CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915376 398892808 /nfs/dbraw/zinc/89/28/08/398892808.db2.gz KVWKKXYIHOJLQM-UHFFFAOYSA-N 1 0 312.757 2.593 20 5 DFBDRO C[C@H](CSCCF)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595018701 398892837 /nfs/dbraw/zinc/89/28/37/398892837.db2.gz DYZNXVRJNKMXOH-LLVKDONJSA-N 1 0 302.371 2.654 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000598915493 398892894 /nfs/dbraw/zinc/89/28/94/398892894.db2.gz MYJARCWMTYGTIK-IUODEOHRSA-N 1 0 318.377 2.591 20 5 DFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915984 398893008 /nfs/dbraw/zinc/89/30/08/398893008.db2.gz RUZUYIYBAYRUCK-CYBMUJFWSA-N 1 0 314.773 2.743 20 5 DFBDRO CC(C)[N@H+](CCc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000077269767 398894044 /nfs/dbraw/zinc/89/40/44/398894044.db2.gz MQSGOPWYGIZAAB-UHFFFAOYSA-N 1 0 302.378 2.781 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2ncccc12 ZINC000141178192 398893800 /nfs/dbraw/zinc/89/38/00/398893800.db2.gz LVNCMGXXIWABGE-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000054287037 398895100 /nfs/dbraw/zinc/89/51/00/398895100.db2.gz HQNQZNVYZWMQME-ZDUSSCGKSA-N 1 0 319.405 2.835 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](O)C(F)F ZINC000595040262 398896786 /nfs/dbraw/zinc/89/67/86/398896786.db2.gz FSMQAWMOVNDNBX-YDEJPDAXSA-N 1 0 318.320 2.659 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595051860 398898132 /nfs/dbraw/zinc/89/81/32/398898132.db2.gz PDHHSJYUXWDNJY-RLAWYHOSSA-N 1 0 319.405 2.879 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000595054391 398898391 /nfs/dbraw/zinc/89/83/91/398898391.db2.gz MZYCDBWQJJQGSI-WCQYABFASA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000595053404 398898043 /nfs/dbraw/zinc/89/80/43/398898043.db2.gz YAKXZIKPKFLXQO-GHMZBOCLSA-N 1 0 316.361 2.535 20 5 DFBDRO COC[C@@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000595061187 398899872 /nfs/dbraw/zinc/89/98/72/398899872.db2.gz QSAGIGKJCLIYIC-ZBFHGGJFSA-N 1 0 308.378 2.613 20 5 DFBDRO COC[C@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000595061185 398899962 /nfs/dbraw/zinc/89/99/62/398899962.db2.gz QSAGIGKJCLIYIC-GOEBONIOSA-N 1 0 308.378 2.613 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000595060272 398899976 /nfs/dbraw/zinc/89/99/76/398899976.db2.gz LYFOKQGFMRSZBG-XNRPHZJLSA-N 1 0 308.378 2.605 20 5 DFBDRO CC(C)[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000077359023 398900926 /nfs/dbraw/zinc/90/09/26/398900926.db2.gz QBVIWSQLKBOJJO-UHFFFAOYSA-N 1 0 317.389 2.747 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000595069150 398901997 /nfs/dbraw/zinc/90/19/97/398901997.db2.gz NCSNBGJQWNWIRA-MBNYWOFBSA-N 1 0 315.377 2.803 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCO[C@@H]1CC1(F)F)CCC2 ZINC000595070842 398902163 /nfs/dbraw/zinc/90/21/63/398902163.db2.gz ZTMJXLMAXRIPOL-ZIAGYGMSSA-N 1 0 312.316 2.986 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595087926 398903040 /nfs/dbraw/zinc/90/30/40/398903040.db2.gz GBCFSTOCABSRRZ-IUODEOHRSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000595087125 398903399 /nfs/dbraw/zinc/90/33/99/398903399.db2.gz BDKXNBRURKDPDS-DGCLKSJQSA-N 1 0 308.378 2.663 20 5 DFBDRO C[N@@H+]1CCCC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994336 398905079 /nfs/dbraw/zinc/90/50/79/398905079.db2.gz KGUZIADPTRDGLP-RZIFZGNASA-N 1 0 303.406 2.930 20 5 DFBDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595107649 398906254 /nfs/dbraw/zinc/90/62/54/398906254.db2.gz PAWUGXRVUJPGMR-RDBSUJKOSA-N 1 0 322.409 2.680 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676753 398906911 /nfs/dbraw/zinc/90/69/11/398906911.db2.gz HXRPRWPTJAIZEL-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO CC(=O)c1ccc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])c1 ZINC000281039683 216039085 /nfs/dbraw/zinc/03/90/85/216039085.db2.gz VMIYVIAPCBFUMD-UHFFFAOYSA-N 1 0 303.362 2.838 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000187405767 200108012 /nfs/dbraw/zinc/10/80/12/200108012.db2.gz VOZHBCHNCXYOED-UHFFFAOYSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599059396 398914312 /nfs/dbraw/zinc/91/43/12/398914312.db2.gz ALGWIFXISYVFKQ-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595268677 398914626 /nfs/dbraw/zinc/91/46/26/398914626.db2.gz MCESGIQHKXVRMB-GXTWGEPZSA-N 1 0 322.409 2.637 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595268212 398914811 /nfs/dbraw/zinc/91/48/11/398914811.db2.gz DTKPUPWGJDQWGK-GFCCVEGCSA-N 1 0 320.393 2.535 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCCC[C@H](C)C1 ZINC000187908285 200174682 /nfs/dbraw/zinc/17/46/82/200174682.db2.gz XPCDFYVGEOTKJA-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599072444 398917230 /nfs/dbraw/zinc/91/72/30/398917230.db2.gz FAYUKCFJUINWOC-CABCVRRESA-N 1 0 315.377 2.768 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000149276849 398917410 /nfs/dbraw/zinc/91/74/10/398917410.db2.gz DHDDVRPTUVWDFC-JTQLQIEISA-N 1 0 303.284 2.754 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+](C2CC2)CC1 ZINC000149243664 398917506 /nfs/dbraw/zinc/91/75/06/398917506.db2.gz ZAQDCAHABWFQOR-UHFFFAOYSA-N 1 0 323.780 2.559 20 5 DFBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@H]1CCOC1 ZINC000595296071 398917897 /nfs/dbraw/zinc/91/78/97/398917897.db2.gz XDFBIWPONCOIJF-DOTOQJQBSA-N 1 0 322.405 2.857 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000599083516 398918477 /nfs/dbraw/zinc/91/84/77/398918477.db2.gz YFXGBYNJDMEUPB-FYAIKVRKSA-N 1 0 304.390 2.667 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(O)C1 ZINC000599083569 398918827 /nfs/dbraw/zinc/91/88/27/398918827.db2.gz ZXSSZMLMAYHLFX-CPCZMJQVSA-N 1 0 310.419 2.826 20 5 DFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]21 ZINC000599084475 398918924 /nfs/dbraw/zinc/91/89/24/398918924.db2.gz RUSLRDWHHNIONM-IWIIMEHWSA-N 1 0 315.295 2.610 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](CCCF)CC3)c2c1 ZINC000599092054 398920373 /nfs/dbraw/zinc/92/03/73/398920373.db2.gz DQZMUVOWJVINDL-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000599093707 398919868 /nfs/dbraw/zinc/91/98/68/398919868.db2.gz QEIYZEMUBDKHSA-LRDDRELGSA-N 1 0 317.389 2.707 20 5 DFBDRO C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000188247298 200215555 /nfs/dbraw/zinc/21/55/55/200215555.db2.gz GZNCXEGRDFTYHO-DOTOQJQBSA-N 1 0 314.389 2.891 20 5 DFBDRO Cc1cc(F)cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000237659870 202321825 /nfs/dbraw/zinc/32/18/25/202321825.db2.gz NYCNCSQQFCTJAJ-CQSZACIVSA-N 1 0 323.368 2.680 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000595308099 398920486 /nfs/dbraw/zinc/92/04/86/398920486.db2.gz DHMXZLVKVIOATF-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000237839772 202367842 /nfs/dbraw/zinc/36/78/42/202367842.db2.gz XWXPUINFFOCCRQ-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000237847953 202368770 /nfs/dbraw/zinc/36/87/70/202368770.db2.gz VBJRWFYZKNASPO-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1ccnc1)CCCC2 ZINC000417309961 296008852 /nfs/dbraw/zinc/00/88/52/296008852.db2.gz GQOJMNSQYJAQFO-INIZCTEOSA-N 1 0 300.362 2.849 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)nc1 ZINC000595376727 398929272 /nfs/dbraw/zinc/92/92/72/398929272.db2.gz SSYYWRUQBWHXFW-APIJFGDWSA-N 1 0 316.405 2.912 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189202023 200363417 /nfs/dbraw/zinc/36/34/17/200363417.db2.gz PXLWWXOUBBWEIR-IAGOWNOFSA-N 1 0 320.389 2.519 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281166702 216125305 /nfs/dbraw/zinc/12/53/05/216125305.db2.gz POHSMGVDGYFIRZ-WMLDXEAASA-N 1 0 319.405 2.894 20 5 DFBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417337519 296011742 /nfs/dbraw/zinc/01/17/42/296011742.db2.gz WXHYWQIJVQKHQJ-QRQCRPRQSA-N 1 0 322.430 2.863 20 5 DFBDRO O=C(CC[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153223526 398935190 /nfs/dbraw/zinc/93/51/90/398935190.db2.gz KURGPFOTYBRMDR-CHWSQXEVSA-N 1 0 303.362 2.655 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363279 296013882 /nfs/dbraw/zinc/01/38/82/296013882.db2.gz ATQCCXGSPOAUQR-JSGCOSHPSA-N 1 0 313.348 2.975 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000078246623 398943428 /nfs/dbraw/zinc/94/34/28/398943428.db2.gz MNZFMTMEMYTZAF-HNNXBMFYSA-N 1 0 300.362 2.575 20 5 DFBDRO CCC1(CC)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)[C@H]1OC ZINC000595454043 398941787 /nfs/dbraw/zinc/94/17/87/398941787.db2.gz HQNGBJWONVUWGW-OWYVNGRQSA-N 1 0 311.382 2.821 20 5 DFBDRO CO[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000595481554 398947124 /nfs/dbraw/zinc/94/71/24/398947124.db2.gz PSIUOEYSBSTYPM-OAHLLOKOSA-N 1 0 322.409 2.633 20 5 DFBDRO 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 398949675 /nfs/dbraw/zinc/94/96/75/398949675.db2.gz UNEBYJLTAOWZQF-GSJWJAIFSA-N 1 0 306.337 2.589 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191296358 200663813 /nfs/dbraw/zinc/66/38/13/200663813.db2.gz BDRXPXIIEUXKEW-DZGCQCFKSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000595510382 398953788 /nfs/dbraw/zinc/95/37/88/398953788.db2.gz AGYOKVFSGOSNFG-CFVMTHIKSA-N 1 0 306.337 2.781 20 5 DFBDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196139 398957321 /nfs/dbraw/zinc/95/73/21/398957321.db2.gz RBJDKQSWRYOEGB-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595519670 398956235 /nfs/dbraw/zinc/95/62/35/398956235.db2.gz BETJFGYBELNCLB-KGLIPLIRSA-N 1 0 324.352 2.945 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000595536102 398959313 /nfs/dbraw/zinc/95/93/13/398959313.db2.gz VHJCBRXBQSOMCK-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CCOc1cc(CN2CCC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000595536216 398959317 /nfs/dbraw/zinc/95/93/17/398959317.db2.gz OYUAJXUBVUMKTC-CQSZACIVSA-N 1 0 321.421 2.910 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+](CC)C(C)C)cc1[N+](=O)[O-] ZINC000471966153 299317911 /nfs/dbraw/zinc/31/79/11/299317911.db2.gz HPZDUACJPXJVFU-UHFFFAOYSA-N 1 0 307.394 2.617 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000078526520 398964399 /nfs/dbraw/zinc/96/43/99/398964399.db2.gz ZUFOYYKXMFRVPP-AWEZNQCLSA-N 1 0 304.394 2.975 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOCC(F)F)CCC2 ZINC000193347285 201036403 /nfs/dbraw/zinc/03/64/03/201036403.db2.gz UPXQFIKXNTVRSC-ZDUSSCGKSA-N 1 0 300.305 2.844 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000193392661 201044581 /nfs/dbraw/zinc/04/45/81/201044581.db2.gz AMULVJAETQRTEM-UHFFFAOYSA-N 1 0 318.402 2.709 20 5 DFBDRO Cc1nn(C)c(SCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000193743998 201115236 /nfs/dbraw/zinc/11/52/36/201115236.db2.gz HUDZZTSBWYXJBJ-UHFFFAOYSA-N 1 0 320.418 2.861 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000193921526 201146635 /nfs/dbraw/zinc/14/66/35/201146635.db2.gz GTFVTLWPIKLCER-STQMWFEESA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000281491357 216336356 /nfs/dbraw/zinc/33/63/56/216336356.db2.gz GIKKOBSHCZPKCQ-STQMWFEESA-N 1 0 305.378 2.565 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162205700 398981361 /nfs/dbraw/zinc/98/13/61/398981361.db2.gz HKXDNLLMONUPOH-OLZOCXBDSA-N 1 0 319.405 2.892 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000163193198 398985566 /nfs/dbraw/zinc/98/55/66/398985566.db2.gz AUIJJUUHSLOGGT-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C(C)(C)CO ZINC000162458569 398983577 /nfs/dbraw/zinc/98/35/77/398983577.db2.gz HGFHVKGETTWISE-UHFFFAOYSA-N 1 0 317.183 2.560 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000163193084 398986329 /nfs/dbraw/zinc/98/63/29/398986329.db2.gz AUIJJUUHSLOGGT-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194678955 201271134 /nfs/dbraw/zinc/27/11/34/201271134.db2.gz SLIICZQVBSKEAW-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194719820 201277229 /nfs/dbraw/zinc/27/72/29/201277229.db2.gz XRFWWXOBNCMVFJ-NWDGAFQWSA-N 1 0 314.345 2.668 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@@H](CO)Cc1ccccc1 ZINC000595593950 398989843 /nfs/dbraw/zinc/98/98/43/398989843.db2.gz BXWDNLIXIQANFW-MRXNPFEDSA-N 1 0 318.348 2.769 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000595595212 398991025 /nfs/dbraw/zinc/99/10/25/398991025.db2.gz IGXHLGYQTFWIKW-SFHVURJKSA-N 1 0 314.385 2.673 20 5 DFBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595599548 398991953 /nfs/dbraw/zinc/99/19/53/398991953.db2.gz YCHUOKJCLRVEEB-AWEZNQCLSA-N 1 0 306.387 2.692 20 5 DFBDRO O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000195308288 201378212 /nfs/dbraw/zinc/37/82/12/201378212.db2.gz UBTHTPBRIMWKKT-UHFFFAOYSA-N 1 0 307.325 2.547 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCC1 ZINC000595613884 399000878 /nfs/dbraw/zinc/00/08/78/399000878.db2.gz BNGRLMHEQMXHKZ-OAHLLOKOSA-N 1 0 308.378 2.633 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000417820596 296054475 /nfs/dbraw/zinc/05/44/75/296054475.db2.gz CRSPOKSOIAOXPU-GFCCVEGCSA-N 1 0 322.409 2.591 20 5 DFBDRO CC[C@H](NC(=O)NC(C)(C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417848254 296057721 /nfs/dbraw/zinc/05/77/21/296057721.db2.gz KJJXANDAPALXKS-AWEZNQCLSA-N 1 0 322.409 2.863 20 5 DFBDRO CC[C@@H](NC(=O)N1CCCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860942 296058617 /nfs/dbraw/zinc/05/86/17/296058617.db2.gz ZLSIVUDHJBIJOD-LSDHHAIUSA-N 1 0 320.393 2.569 20 5 DFBDRO CCn1cncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000417955054 296066441 /nfs/dbraw/zinc/06/64/41/296066441.db2.gz GLHBJFQGUARWBW-UHFFFAOYSA-N 1 0 302.378 2.924 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417973878 296068053 /nfs/dbraw/zinc/06/80/53/296068053.db2.gz CWOCZGBLTFTUOP-OCCSQVGLSA-N 1 0 322.409 2.671 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595642099 399016229 /nfs/dbraw/zinc/01/62/29/399016229.db2.gz NYGCNANNNBBKJA-GFCCVEGCSA-N 1 0 319.405 2.898 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+](C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000599599091 399025486 /nfs/dbraw/zinc/02/54/86/399025486.db2.gz IKRUEMDBLFWYJX-UHFFFAOYSA-N 1 0 319.361 2.559 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599626039 399033717 /nfs/dbraw/zinc/03/37/17/399033717.db2.gz SEGIKRFHGWWWFM-GMAGZHIISA-N 1 0 300.305 2.775 20 5 DFBDRO C[C@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000255140529 283857550 /nfs/dbraw/zinc/85/75/50/283857550.db2.gz LFAGAWXOVXNPDK-ZWXCPPHNSA-N 1 0 319.405 2.701 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000091672786 193089748 /nfs/dbraw/zinc/08/97/48/193089748.db2.gz WGLBSMALJVTKKS-CQSZACIVSA-N 1 0 319.405 2.686 20 5 DFBDRO CCc1nn(C)c(NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000091730708 193098290 /nfs/dbraw/zinc/09/82/90/193098290.db2.gz HFJMKBSLERVKQI-UHFFFAOYSA-N 1 0 311.430 2.812 20 5 DFBDRO C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000255578886 283891803 /nfs/dbraw/zinc/89/18/03/283891803.db2.gz GLJDFKRDPRBSQR-ASCRHOAZSA-N 1 0 319.405 2.701 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000599673933 399056620 /nfs/dbraw/zinc/05/66/20/399056620.db2.gz WKOYKKSEUYJPHR-HNNXBMFYSA-N 1 0 320.389 2.601 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595755249 399070450 /nfs/dbraw/zinc/07/04/50/399070450.db2.gz JRDYJTCDWWXHCA-ZDUSSCGKSA-N 1 0 323.368 2.995 20 5 DFBDRO CC[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000595766376 399076261 /nfs/dbraw/zinc/07/62/61/399076261.db2.gz UOIZYCJQPYUXGR-CYBMUJFWSA-N 1 0 319.361 2.671 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccccc2F)CC2CC2)n1 ZINC000595766167 399076962 /nfs/dbraw/zinc/07/69/62/399076962.db2.gz BKIXEJIBKYJFFK-UHFFFAOYSA-N 1 0 318.352 2.843 20 5 DFBDRO CC(C)(CO)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000291036958 283998446 /nfs/dbraw/zinc/99/84/46/283998446.db2.gz YVEDGMCXQQTPOJ-YERXGYGTSA-N 1 0 304.390 2.995 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CCC[NH3+] ZINC000418688258 296109962 /nfs/dbraw/zinc/10/99/62/296109962.db2.gz MWBOBNWXLVRZHE-CYBMUJFWSA-N 1 0 322.409 2.642 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000058591882 399087300 /nfs/dbraw/zinc/08/73/00/399087300.db2.gz IZSHDHCSMHVMHD-GFCCVEGCSA-N 1 0 306.362 2.604 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)C1CC1 ZINC000305769667 284051746 /nfs/dbraw/zinc/05/17/46/284051746.db2.gz NBWGSFIXPKIPGH-BZUAXINKSA-N 1 0 304.390 2.809 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261812230 203122524 /nfs/dbraw/zinc/12/25/24/203122524.db2.gz LYDQNUKUDXOBEG-CQSZACIVSA-N 1 0 319.405 2.722 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000282219082 216831531 /nfs/dbraw/zinc/83/15/31/216831531.db2.gz YNBRAVNQFCNIFC-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419374682 296137651 /nfs/dbraw/zinc/13/76/51/296137651.db2.gz QITNBGLMJZPNNI-AVGNSLFASA-N 1 0 305.378 2.818 20 5 DFBDRO O=C1CC[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000338632181 284127839 /nfs/dbraw/zinc/12/78/39/284127839.db2.gz HHGLUNZNVKWOIS-ZDUSSCGKSA-N 1 0 323.780 2.539 20 5 DFBDRO C[C@H](NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000262186189 203223509 /nfs/dbraw/zinc/22/35/09/203223509.db2.gz LNVZJDRNLLWZFB-RVSPLBMKSA-N 1 0 317.389 2.552 20 5 DFBDRO COCCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419389672 296139280 /nfs/dbraw/zinc/13/92/80/296139280.db2.gz OZVGXPLOGMKLRE-CYBMUJFWSA-N 1 0 323.393 2.589 20 5 DFBDRO C[C@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262509304 203313096 /nfs/dbraw/zinc/31/30/96/203313096.db2.gz MULAEXHKTRUVLS-CORIIIEPSA-N 1 0 305.378 2.680 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000595874422 399118606 /nfs/dbraw/zinc/11/86/06/399118606.db2.gz OMTLANRZFNRVCJ-SUMWQHHRSA-N 1 0 322.405 2.832 20 5 DFBDRO Cc1ccncc1N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 ZINC000340109072 284152341 /nfs/dbraw/zinc/15/23/41/284152341.db2.gz NQFUHNNLPCFEEB-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262583206 203339169 /nfs/dbraw/zinc/33/91/69/203339169.db2.gz RKTCXFGTMYPDAE-GFCCVEGCSA-N 1 0 319.405 2.622 20 5 DFBDRO C[C@@H]1CC[C@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708822 399120775 /nfs/dbraw/zinc/12/07/75/399120775.db2.gz GPDZCQOVHCHBLA-KCXAZCMYSA-N 1 0 303.406 2.646 20 5 DFBDRO CCOCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000093312032 193227983 /nfs/dbraw/zinc/22/79/83/193227983.db2.gz GMOSRYUTQCYMJF-UHFFFAOYSA-N 1 0 319.361 2.761 20 5 DFBDRO [NH3+]CC1(CC(=O)NCCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000262645608 203363435 /nfs/dbraw/zinc/36/34/35/203363435.db2.gz IISCZUBZXDTNRD-UHFFFAOYSA-N 1 0 319.405 2.553 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595906920 399130687 /nfs/dbraw/zinc/13/06/87/399130687.db2.gz CSCUNOXOEHSRJE-BXKDBHETSA-N 1 0 305.300 2.786 20 5 DFBDRO CN(C(=O)C[N@H+](C)C[C@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595908724 399132093 /nfs/dbraw/zinc/13/20/93/399132093.db2.gz KBIMIBAGVKAHFQ-GFCCVEGCSA-N 1 0 305.378 2.536 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000600742562 399132684 /nfs/dbraw/zinc/13/26/84/399132684.db2.gz DZNCFLYIUMIRDF-GASCZTMLSA-N 1 0 309.797 2.680 20 5 DFBDRO C[NH2+][C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420173902 296160383 /nfs/dbraw/zinc/16/03/83/296160383.db2.gz VZOAUDZVYWYODT-VIFPVBQESA-N 1 0 303.284 2.720 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420180126 296160618 /nfs/dbraw/zinc/16/06/18/296160618.db2.gz CCEVAXIXKFDZBC-SNVBAGLBSA-N 1 0 317.311 2.968 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000420156252 296159824 /nfs/dbraw/zinc/15/98/24/296159824.db2.gz FILJACJAPJULTB-VHSXEESVSA-N 1 0 315.320 2.996 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420193989 296161513 /nfs/dbraw/zinc/16/15/13/296161513.db2.gz SIILZIKYZDLKMP-JTQLQIEISA-N 1 0 317.311 2.968 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000595946380 399140630 /nfs/dbraw/zinc/14/06/30/399140630.db2.gz CMARQODMQDIJJI-GFCCVEGCSA-N 1 0 321.402 2.913 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)(C)[NH3+] ZINC000595935792 399139220 /nfs/dbraw/zinc/13/92/20/399139220.db2.gz VLAHXBHZYMXXAH-UHFFFAOYSA-N 1 0 311.407 2.516 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[NH2+]1 ZINC000420186256 296161299 /nfs/dbraw/zinc/16/12/99/296161299.db2.gz LXSYIGYXOSJZRN-SNVBAGLBSA-N 1 0 304.375 2.516 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[C@H]1[NH3+] ZINC000420186252 296161307 /nfs/dbraw/zinc/16/13/07/296161307.db2.gz LXLNYUHLGYPKBV-GXFFZTMASA-N 1 0 318.402 2.892 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000282458340 217010575 /nfs/dbraw/zinc/01/05/75/217010575.db2.gz MNPQAESKOFZJSW-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936454 399139559 /nfs/dbraw/zinc/13/95/59/399139559.db2.gz ZIZLLTRCRQZWHV-LBPRGKRZSA-N 1 0 323.418 2.508 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420194810 296161802 /nfs/dbraw/zinc/16/18/02/296161802.db2.gz KFJPFPFAGDPSAU-SCZZXKLOSA-N 1 0 301.293 2.736 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc2c(c1)C[NH2+]CC2 ZINC000420200233 296161984 /nfs/dbraw/zinc/16/19/84/296161984.db2.gz ZEAOZBCJPGXXSA-UHFFFAOYSA-N 1 0 301.350 2.509 20 5 DFBDRO Cc1cccc(C(=O)NCCC[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000060635105 399141048 /nfs/dbraw/zinc/14/10/48/399141048.db2.gz WHKVFVZMDSIJPR-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C[NH2+]1 ZINC000420231355 296164052 /nfs/dbraw/zinc/16/40/52/296164052.db2.gz JSVYCJBAKATSGI-QWRGUYRKSA-N 1 0 318.402 2.905 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(C2)CC[NH2+]CC3)c2ncccc12 ZINC000420226135 296163640 /nfs/dbraw/zinc/16/36/40/296163640.db2.gz KZAQJPAVSDEOIF-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO CC1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[NH2+]CC1 ZINC000420226507 296163708 /nfs/dbraw/zinc/16/37/08/296163708.db2.gz GUTUOKKVWNTOPH-UHFFFAOYSA-N 1 0 315.320 2.998 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420233531 296164391 /nfs/dbraw/zinc/16/43/91/296164391.db2.gz GADGNTKXWVGJDG-IUCAKERBSA-N 1 0 301.293 2.878 20 5 DFBDRO Cc1cc(N2CC[C@](C)(C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420242906 296165092 /nfs/dbraw/zinc/16/50/92/296165092.db2.gz NMMZQBWCIMRMOT-MRXNPFEDSA-N 1 0 300.362 2.627 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420243919 296165110 /nfs/dbraw/zinc/16/51/10/296165110.db2.gz XYNOKIUJXQIFTD-JQWIXIFHSA-N 1 0 318.402 2.892 20 5 DFBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420245484 296165445 /nfs/dbraw/zinc/16/54/45/296165445.db2.gz LXXNDKUBIPMSRI-AOOOYVTPSA-N 1 0 315.295 2.578 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420249182 296165718 /nfs/dbraw/zinc/16/57/18/296165718.db2.gz XQTBQDSVRCVXAT-SNVBAGLBSA-N 1 0 315.320 2.761 20 5 DFBDRO Cc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000600789885 399147589 /nfs/dbraw/zinc/14/75/89/399147589.db2.gz WVZAPXUIBREQLR-AWEZNQCLSA-N 1 0 300.358 2.680 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000596012868 399147869 /nfs/dbraw/zinc/14/78/69/399147869.db2.gz BSWCMCPHOOUCTF-ZIAGYGMSSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264590575 204013641 /nfs/dbraw/zinc/01/36/41/204013641.db2.gz LJGPUQGEAULXMT-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO [NH3+]C[C@H](CO)Cc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000600789164 399146648 /nfs/dbraw/zinc/14/66/48/399146648.db2.gz IBAOUHAZDSDDSJ-GFCCVEGCSA-N 1 0 304.321 2.511 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420257038 296166416 /nfs/dbraw/zinc/16/64/16/296166416.db2.gz VYPAETNNNKBHIB-WCBMZHEXSA-N 1 0 303.284 2.848 20 5 DFBDRO COc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)c([N+](=O)[O-])cc1F ZINC000420255586 296166419 /nfs/dbraw/zinc/16/64/19/296166419.db2.gz HUDRYFADRLFWNB-LBPRGKRZSA-N 1 0 323.368 2.568 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687926 204079567 /nfs/dbraw/zinc/07/95/67/204079567.db2.gz CYXRPSNYUKHGPF-VXGBXAGGSA-N 1 0 323.393 2.908 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC23CC(C2)C[NH2+]3)c(C(F)(F)F)c1 ZINC000596028051 399150965 /nfs/dbraw/zinc/15/09/65/399150965.db2.gz ZMTLGBTZNQRPGV-UHFFFAOYSA-N 1 0 301.268 2.778 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000596012876 399148378 /nfs/dbraw/zinc/14/83/78/399148378.db2.gz BYUKWBMEQVTBLX-GFCCVEGCSA-N 1 0 324.812 2.859 20 5 DFBDRO [NH3+]CCCc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600792474 399148864 /nfs/dbraw/zinc/14/88/64/399148864.db2.gz JAGHQUWBBUJQHX-UHFFFAOYSA-N 1 0 300.358 2.688 20 5 DFBDRO COc1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000420271215 296167833 /nfs/dbraw/zinc/16/78/33/296167833.db2.gz ZXLIYFKNHZFWBM-GFCCVEGCSA-N 1 0 323.368 2.568 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420270438 296167962 /nfs/dbraw/zinc/16/79/62/296167962.db2.gz YWKPKRCVRKBLGD-BDAKNGLRSA-N 1 0 316.188 2.947 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC000420271948 296168000 /nfs/dbraw/zinc/16/80/00/296168000.db2.gz HUCFHAUNDXMTBD-CQSZACIVSA-N 1 0 300.362 2.973 20 5 DFBDRO Cc1cc(N[C@@H](CC[NH3+])C(F)F)c2cccc([N+](=O)[O-])c2n1 ZINC000420273037 296168061 /nfs/dbraw/zinc/16/80/61/296168061.db2.gz XFDPKCBFIMWEDH-JTQLQIEISA-N 1 0 310.304 2.846 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[C@H]1CCC[NH2+]1 ZINC000420279645 296168726 /nfs/dbraw/zinc/16/87/26/296168726.db2.gz KLIMZLRIYSDKMP-GFCCVEGCSA-N 1 0 321.377 2.634 20 5 DFBDRO COC(=O)c1cc(NCCC[C@@H]2CCC[NH2+]2)cc(C)c1[N+](=O)[O-] ZINC000420276901 296168367 /nfs/dbraw/zinc/16/83/67/296168367.db2.gz POJGOLCWVPTFJZ-LBPRGKRZSA-N 1 0 321.377 2.634 20 5 DFBDRO Cc1nn(C)c(NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264764772 204141324 /nfs/dbraw/zinc/14/13/24/204141324.db2.gz OCYKVYJCNLUODR-GFCCVEGCSA-N 1 0 317.393 2.569 20 5 DFBDRO CCOc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420283073 296169037 /nfs/dbraw/zinc/16/90/37/296169037.db2.gz XEWSMKHDTGIHOU-KBPBESRZSA-N 1 0 319.405 2.819 20 5 DFBDRO C[NH+](C)CCCNc1c(Br)cccc1[N+](=O)[O-] ZINC000596051473 399155214 /nfs/dbraw/zinc/15/52/14/399155214.db2.gz SABJRLMIQQGKNL-UHFFFAOYSA-N 1 0 302.172 2.721 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264905983 204257169 /nfs/dbraw/zinc/25/71/69/204257169.db2.gz DDILHDHXJUWRRI-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341696612 284276625 /nfs/dbraw/zinc/27/66/25/284276625.db2.gz JZHINAOXSLHZIQ-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000618571462 399163773 /nfs/dbraw/zinc/16/37/73/399163773.db2.gz SMAUDGKHQOZKBP-KBUPBQIOSA-N 1 0 322.409 2.680 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000618571464 399163505 /nfs/dbraw/zinc/16/35/05/399163505.db2.gz SMAUDGKHQOZKBP-TUVASFSCSA-N 1 0 322.409 2.680 20 5 DFBDRO Cc1nn(C)c(N[C@@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271745509 209177406 /nfs/dbraw/zinc/17/74/06/209177406.db2.gz AUDIJKMSQYCYAD-LBPRGKRZSA-N 1 0 317.393 2.569 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@](C)(O)c1ccccc1 ZINC000282500310 217042432 /nfs/dbraw/zinc/04/24/32/217042432.db2.gz QUFJMGZAJFJQHJ-SFHVURJKSA-N 1 0 314.385 2.977 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]CC1(C)C ZINC000420361353 296179930 /nfs/dbraw/zinc/17/99/30/296179930.db2.gz MDKOLCKJIBOCCI-MRXNPFEDSA-N 1 0 321.421 2.860 20 5 DFBDRO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647834 217151615 /nfs/dbraw/zinc/15/16/15/217151615.db2.gz CEDNISCFHICWIT-CQSZACIVSA-N 1 0 318.352 2.903 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000420379964 296183432 /nfs/dbraw/zinc/18/34/32/296183432.db2.gz BWSDRAOGHLOMIC-STQMWFEESA-N 1 0 307.394 2.564 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000600950867 399184348 /nfs/dbraw/zinc/18/43/48/399184348.db2.gz AWIZIGVGTGCWRN-WDEREUQCSA-N 1 0 317.311 2.867 20 5 DFBDRO COCCCn1nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282756429 217228715 /nfs/dbraw/zinc/22/87/15/217228715.db2.gz VNOIXKTWJRBEHM-ZDUSSCGKSA-N 1 0 318.377 2.679 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C23CCC3)c(OC(F)F)c1 ZINC000600950424 399183944 /nfs/dbraw/zinc/18/39/44/399183944.db2.gz HTGXWMFZCKFXIQ-LBPRGKRZSA-N 1 0 313.304 2.893 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600962652 399188343 /nfs/dbraw/zinc/18/83/43/399188343.db2.gz IGWOXJLDIJWVCW-AOOOYVTPSA-N 1 0 301.268 2.554 20 5 DFBDRO CC[NH+]1CCC(CCNc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596143028 399189502 /nfs/dbraw/zinc/18/95/02/399189502.db2.gz WLXVUTHWPIJYRS-UHFFFAOYSA-N 1 0 312.801 2.599 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000600958185 399187433 /nfs/dbraw/zinc/18/74/33/399187433.db2.gz AGWLSIRUTFTDBC-LBPRGKRZSA-N 1 0 300.362 2.851 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000266183613 205166801 /nfs/dbraw/zinc/16/68/01/205166801.db2.gz SSVFDQWHFRSMTK-CYBMUJFWSA-N 1 0 323.368 2.680 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000420628430 296193788 /nfs/dbraw/zinc/19/37/88/296193788.db2.gz ATFSDYCUVKPPFB-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266334996 205275184 /nfs/dbraw/zinc/27/51/84/205275184.db2.gz HJZLPEYFCYOJDF-NSHDSACASA-N 1 0 315.320 2.727 20 5 DFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000601020525 399204971 /nfs/dbraw/zinc/20/49/71/399204971.db2.gz SBVAZFHDHOIIAB-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000016518968 182048166 /nfs/dbraw/zinc/04/81/66/182048166.db2.gz NVUMJLRGONVXSQ-MNOVXSKESA-N 1 0 309.366 2.565 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000063813180 399209127 /nfs/dbraw/zinc/20/91/27/399209127.db2.gz CZOPJGAABSKQBO-OAHLLOKOSA-N 1 0 318.377 2.687 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC2(CC1)OCCCO2 ZINC000293703914 223658959 /nfs/dbraw/zinc/65/89/59/223658959.db2.gz RUGBWRHTGXJPFN-ZZXKWVIFSA-N 1 0 318.373 2.837 20 5 DFBDRO C[C@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000601117045 399232085 /nfs/dbraw/zinc/23/20/85/399232085.db2.gz WIKWQOLXVULXES-LBPRGKRZSA-N 1 0 314.389 2.707 20 5 DFBDRO Cn1nc2c(c1C[NH2+]CCc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000601113716 399231039 /nfs/dbraw/zinc/23/10/39/399231039.db2.gz JCDKIWVCOSDAFB-UHFFFAOYSA-N 1 0 314.389 2.539 20 5 DFBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601152491 399242399 /nfs/dbraw/zinc/24/23/99/399242399.db2.gz DYNIHQSVMUONAU-HNNXBMFYSA-N 1 0 324.377 2.879 20 5 DFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000601151171 399242467 /nfs/dbraw/zinc/24/24/67/399242467.db2.gz QRRNYVNVNYMDML-KFFBJUEBSA-N 1 0 304.268 2.509 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147540 399240991 /nfs/dbraw/zinc/24/09/91/399240991.db2.gz QXODMPMARDUXCY-CYBMUJFWSA-N 1 0 302.321 2.824 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168089 399246066 /nfs/dbraw/zinc/24/60/66/399246066.db2.gz OKFAYMCPWYRDAU-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000601189270 399251342 /nfs/dbraw/zinc/25/13/42/399251342.db2.gz PKPMSVUYVIQIKD-CYBMUJFWSA-N 1 0 322.409 2.698 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@@H](CCO)CC3)nc2c1 ZINC000421020355 296226531 /nfs/dbraw/zinc/22/65/31/296226531.db2.gz QZMUMFPXWFPVFA-GFCCVEGCSA-N 1 0 319.361 2.721 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601216448 399256704 /nfs/dbraw/zinc/25/67/04/399256704.db2.gz SCTUHJYJFNSFQW-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421040103 296230510 /nfs/dbraw/zinc/23/05/10/296230510.db2.gz MVSYHFDLENDZCO-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000601218498 399257201 /nfs/dbraw/zinc/25/72/01/399257201.db2.gz WKQGGJXHIORDHA-UHFFFAOYSA-N 1 0 304.394 2.835 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000601227054 399259216 /nfs/dbraw/zinc/25/92/16/399259216.db2.gz QLNNUZYHMAQROT-UHFFFAOYSA-N 1 0 301.350 2.802 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000421101692 296235343 /nfs/dbraw/zinc/23/53/43/296235343.db2.gz UHUZAWWYTMLZKZ-UHFFFAOYSA-N 1 0 306.366 2.589 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000421110246 296236167 /nfs/dbraw/zinc/23/61/67/296236167.db2.gz BADFOVOZYJOUMC-UHFFFAOYSA-N 1 0 324.356 2.728 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601259640 399265609 /nfs/dbraw/zinc/26/56/09/399265609.db2.gz YTXAIECNTAPSHN-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421197378 296240813 /nfs/dbraw/zinc/24/08/13/296240813.db2.gz HFQBEDJORDHJQQ-OLZOCXBDSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000267850115 206304395 /nfs/dbraw/zinc/30/43/95/206304395.db2.gz WKHPMWJDZLRIQJ-RYUDHWBXSA-N 1 0 321.377 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291247 399270963 /nfs/dbraw/zinc/27/09/63/399270963.db2.gz INHBCMIXCZFJET-VDERGJSUSA-N 1 0 304.390 2.667 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)(F)F ZINC000601299816 399272500 /nfs/dbraw/zinc/27/25/00/399272500.db2.gz BWKNHIOVBPYEEX-HJIKLVIJSA-N 1 0 318.295 2.874 20 5 DFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000601336128 399279144 /nfs/dbraw/zinc/27/91/44/399279144.db2.gz XMVZQSUUVCPMRS-LBPRGKRZSA-N 1 0 315.348 2.872 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000344449586 284608183 /nfs/dbraw/zinc/60/81/83/284608183.db2.gz PMGSCZMQMHWITG-ZDUSSCGKSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000421479031 296258746 /nfs/dbraw/zinc/25/87/46/296258746.db2.gz FUMRMAVESWYXDJ-UONOGXRCSA-N 1 0 319.405 2.814 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601411272 399287706 /nfs/dbraw/zinc/28/77/06/399287706.db2.gz QQPGFPFGAKVZQM-KWCYVHTRSA-N 1 0 305.378 2.502 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC3(CCCC3)C2)c([N+](=O)[O-])c1 ZINC000615000624 399290081 /nfs/dbraw/zinc/29/00/81/399290081.db2.gz LMMUJLICBIYVDO-UHFFFAOYSA-N 1 0 317.389 2.850 20 5 DFBDRO C[C@H](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000601433909 399289218 /nfs/dbraw/zinc/28/92/18/399289218.db2.gz KSORYSQSKHNMRI-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000421550622 296265179 /nfs/dbraw/zinc/26/51/79/296265179.db2.gz IDCYUCJZEKILKV-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351969089 284660239 /nfs/dbraw/zinc/66/02/39/284660239.db2.gz USEIGXCUAAZCGH-CYBMUJFWSA-N 1 0 321.421 2.719 20 5 DFBDRO Cc1nccn1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260230 399310392 /nfs/dbraw/zinc/31/03/92/399310392.db2.gz HTVYSDKCCKOZCE-KRWDZBQOSA-N 1 0 314.389 2.979 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000609258488 399311036 /nfs/dbraw/zinc/31/10/36/399311036.db2.gz ZGLFVNSDHVYVSR-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000042587807 183287629 /nfs/dbraw/zinc/28/76/29/183287629.db2.gz OHZPXQWTEQEZEC-AWEZNQCLSA-N 1 0 307.394 2.609 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278947 399311642 /nfs/dbraw/zinc/31/16/42/399311642.db2.gz WKHPSPCXRGRZRL-CVEARBPZSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1nccn1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260478 399311659 /nfs/dbraw/zinc/31/16/59/399311659.db2.gz RDCXCYDHXXCQKN-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000043148430 183341197 /nfs/dbraw/zinc/34/11/97/183341197.db2.gz HOLVMTBYZWFATN-UHFFFAOYSA-N 1 0 320.393 2.709 20 5 DFBDRO Cc1c(NC(=O)NC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000043347387 183356498 /nfs/dbraw/zinc/35/64/98/183356498.db2.gz MXUTVHKSKKPYIE-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)F)o2)cc1 ZINC000344766390 284683840 /nfs/dbraw/zinc/68/38/40/284683840.db2.gz XZLZCJORRLGTTI-GFCCVEGCSA-N 1 0 312.272 2.570 20 5 DFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284050635 217862150 /nfs/dbraw/zinc/86/21/50/217862150.db2.gz PTSNJHRTPHAXRK-VIFPVBQESA-N 1 0 314.773 2.710 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000610010198 399338682 /nfs/dbraw/zinc/33/86/82/399338682.db2.gz QDDCOSUMQIFJDI-UITAMQMPSA-N 1 0 324.380 2.728 20 5 DFBDRO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080180 399341004 /nfs/dbraw/zinc/34/10/04/399341004.db2.gz QXNXDSAKSLJWLN-GOEBONIOSA-N 1 0 322.405 2.989 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[NH+]3CCSCC3)o2)c1 ZINC000104674464 194024931 /nfs/dbraw/zinc/02/49/31/194024931.db2.gz RRWRHKHPETVRMG-UHFFFAOYSA-N 1 0 319.386 2.841 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H]2CCCO)cc1 ZINC000104956742 194057525 /nfs/dbraw/zinc/05/75/25/194057525.db2.gz LMDSNQXZXOQFCY-CQSZACIVSA-N 1 0 308.378 2.601 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000610251837 399350959 /nfs/dbraw/zinc/35/09/59/399350959.db2.gz KHDYOMCJMDTASX-ZOWXZIJZSA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000104970040 194060061 /nfs/dbraw/zinc/06/00/61/194060061.db2.gz CWRDEDDBDNDETM-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000610368634 399361654 /nfs/dbraw/zinc/36/16/54/399361654.db2.gz JKYFPLYBCOVKCY-AWEZNQCLSA-N 1 0 306.362 2.857 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284884000 218221194 /nfs/dbraw/zinc/22/11/94/218221194.db2.gz TVKCOQKYTNQGJF-DGCLKSJQSA-N 1 0 323.349 2.628 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284884006 218221850 /nfs/dbraw/zinc/22/18/50/218221850.db2.gz TVKCOQKYTNQGJF-YPMHNXCESA-N 1 0 323.349 2.628 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000284900002 218227762 /nfs/dbraw/zinc/22/77/62/218227762.db2.gz CFJXSCJFUXFEGA-VHRDEZTHSA-N 1 0 321.299 2.529 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000610456123 399369157 /nfs/dbraw/zinc/36/91/57/399369157.db2.gz PLPYJGZZLDNNRR-HNNXBMFYSA-N 1 0 319.405 2.760 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601965009 399370668 /nfs/dbraw/zinc/37/06/68/399370668.db2.gz MGRWKMCZTIUZSB-YESZJQIVSA-N 1 0 322.405 2.548 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973153 399372370 /nfs/dbraw/zinc/37/23/70/399372370.db2.gz CYKRMUDPKDQZIY-PHIMTYICSA-N 1 0 316.279 2.692 20 5 DFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000345827128 284768102 /nfs/dbraw/zinc/76/81/02/284768102.db2.gz HAOAJRSUAICYTO-YQCLLZEUSA-N 1 0 318.295 2.899 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000345839995 284771306 /nfs/dbraw/zinc/77/13/06/284771306.db2.gz SSPHTZVRJZCNCV-UHFFFAOYSA-N 1 0 305.378 2.637 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](C[C@H]3CCOC3)C3CC3)nc2c1 ZINC000610581223 399382729 /nfs/dbraw/zinc/38/27/29/399382729.db2.gz SHCDGUVXGPTEBO-LLVKDONJSA-N 1 0 317.345 2.737 20 5 DFBDRO Cc1nc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486244 206747592 /nfs/dbraw/zinc/74/75/92/206747592.db2.gz MRPLQNSCPGUILW-STQMWFEESA-N 1 0 322.409 2.600 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000610587024 399383328 /nfs/dbraw/zinc/38/33/28/399383328.db2.gz MZEPIAZIALKKQW-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585361 399384071 /nfs/dbraw/zinc/38/40/71/399384071.db2.gz MFVMSEVBBFJXSS-DOMZBBRYSA-N 1 0 303.362 2.716 20 5 DFBDRO CCC(CC)(CCO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285179632 218322689 /nfs/dbraw/zinc/32/26/89/218322689.db2.gz DCISXJUYAASGIP-UHFFFAOYSA-N 1 0 302.321 2.904 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cc1 ZINC000602018328 399385462 /nfs/dbraw/zinc/38/54/62/399385462.db2.gz YZOSVHPRTKARHF-UHFFFAOYSA-N 1 0 314.267 2.600 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000285388189 218410834 /nfs/dbraw/zinc/41/08/34/218410834.db2.gz BVZUYUSSASQWIW-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000288598507 220274641 /nfs/dbraw/zinc/27/46/41/220274641.db2.gz YMIQGVRKZLYUKV-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070699 399391466 /nfs/dbraw/zinc/39/14/66/399391466.db2.gz HYQRUNGMCZQPEH-BLLLJJGKSA-N 1 0 317.389 2.789 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285587532 218525624 /nfs/dbraw/zinc/52/56/24/218525624.db2.gz OSIOPELUWVZBOJ-OCCSQVGLSA-N 1 0 307.369 2.793 20 5 DFBDRO CCC[C@H]([NH2+]CCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268872945 207042085 /nfs/dbraw/zinc/04/20/85/207042085.db2.gz VAJVYJKLURNIBL-INIZCTEOSA-N 1 0 309.410 2.604 20 5 DFBDRO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000602133166 399399532 /nfs/dbraw/zinc/39/95/32/399399532.db2.gz ORGZQOMWWVHQMV-LBPRGKRZSA-N 1 0 307.394 2.750 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135282 399400040 /nfs/dbraw/zinc/40/00/40/399400040.db2.gz ZGKWWEABSDBKMR-BLLLJJGKSA-N 1 0 317.389 2.789 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000422640048 296317585 /nfs/dbraw/zinc/31/75/85/296317585.db2.gz URFORXBKNJLUGB-UHFFFAOYSA-N 1 0 319.405 2.710 20 5 DFBDRO CC(C)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccnn1C ZINC000615943482 399403416 /nfs/dbraw/zinc/40/34/16/399403416.db2.gz NSWYDVPSEFMLFE-OAHLLOKOSA-N 1 0 302.378 2.858 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055927648 184001388 /nfs/dbraw/zinc/00/13/88/184001388.db2.gz SOJBZZKGBYNRBQ-HNNXBMFYSA-N 1 0 317.389 2.848 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000610828288 399410538 /nfs/dbraw/zinc/41/05/38/399410538.db2.gz RAOXEOPDWRRLHC-XEZPLFJOSA-N 1 0 319.405 2.811 20 5 DFBDRO Cc1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC000610821161 399409464 /nfs/dbraw/zinc/40/94/64/399409464.db2.gz QNQOXNAUQCTXME-OAHLLOKOSA-N 1 0 300.362 2.737 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000610815174 399409512 /nfs/dbraw/zinc/40/95/12/399409512.db2.gz ZHQHCFAEJJTZRM-ZIAGYGMSSA-N 1 0 308.378 2.607 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269014062 207164929 /nfs/dbraw/zinc/16/49/29/207164929.db2.gz XYVDGVNBDWBOHW-XJKSGUPXSA-N 1 0 323.462 2.991 20 5 DFBDRO Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000059384714 184138017 /nfs/dbraw/zinc/13/80/17/184138017.db2.gz ZYWXYGOTOHXCLG-KBPBESRZSA-N 1 0 307.394 2.814 20 5 DFBDRO Cc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000059384711 184138153 /nfs/dbraw/zinc/13/81/53/184138153.db2.gz ZYWXYGOTOHXCLG-OKILXGFUSA-N 1 0 307.394 2.814 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000269043081 207192187 /nfs/dbraw/zinc/19/21/87/207192187.db2.gz NLFNEAJHLXEFGN-OKILXGFUSA-N 1 0 322.409 2.600 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611165712 399440726 /nfs/dbraw/zinc/44/07/26/399440726.db2.gz CMSFZPZDCPVAHN-AWEZNQCLSA-N 1 0 305.378 2.568 20 5 DFBDRO CC(C)CC[C@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602460940 399450251 /nfs/dbraw/zinc/45/02/51/399450251.db2.gz HYDYHBJQDXZPBB-AWEZNQCLSA-N 1 0 307.394 2.710 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC1 ZINC000611248621 399450883 /nfs/dbraw/zinc/45/08/83/399450883.db2.gz LGOQRDSSYPHMIF-LBPRGKRZSA-N 1 0 310.419 2.828 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000611248141 399451205 /nfs/dbraw/zinc/45/12/05/399451205.db2.gz FRHNEVRAVGOHPJ-FPMFFAJLSA-N 1 0 308.378 2.948 20 5 DFBDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611265607 399453348 /nfs/dbraw/zinc/45/33/48/399453348.db2.gz JGWQHBVJAZVFIN-GFCCVEGCSA-N 1 0 306.362 2.988 20 5 DFBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1C[C@@H](OCC)C1(C)C ZINC000602471216 399453452 /nfs/dbraw/zinc/45/34/52/399453452.db2.gz KKDOVBQCGKYVNM-ZIAGYGMSSA-N 1 0 324.425 2.744 20 5 DFBDRO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441090 399444843 /nfs/dbraw/zinc/44/48/43/399444843.db2.gz SZCDFCWUZWFYKI-OAHLLOKOSA-N 1 0 300.362 2.974 20 5 DFBDRO CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602494324 399460521 /nfs/dbraw/zinc/46/05/21/399460521.db2.gz NMCHLIUUTQKVKF-ZANVPECISA-N 1 0 318.295 2.816 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)OCCO2 ZINC000611268577 399454938 /nfs/dbraw/zinc/45/49/38/399454938.db2.gz WKENTCHJTSJFTR-CYBMUJFWSA-N 1 0 304.346 2.740 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@H]3CCCC[C@@H]3C1)OCCO2 ZINC000611271998 399455798 /nfs/dbraw/zinc/45/57/98/399455798.db2.gz GWACTSLNFYOQFS-CHWSQXEVSA-N 1 0 318.373 2.988 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000602475959 399456372 /nfs/dbraw/zinc/45/63/72/399456372.db2.gz UPCUZNFMFHZQOO-GFCCVEGCSA-N 1 0 320.780 2.971 20 5 DFBDRO CCC[C@H]([NH2+]CCc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000611336010 399462975 /nfs/dbraw/zinc/46/29/75/399462975.db2.gz LUEYQCJUNFVEAO-HNNXBMFYSA-N 1 0 317.393 2.880 20 5 DFBDRO CCC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000611336917 399463070 /nfs/dbraw/zinc/46/30/70/399463070.db2.gz HISPOFCTNIGYFE-XOKHGSTOSA-N 1 0 321.421 2.745 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602511811 399464748 /nfs/dbraw/zinc/46/47/48/399464748.db2.gz UHVYLNCBEQEUNB-CYBMUJFWSA-N 1 0 302.378 2.568 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000611370260 399466556 /nfs/dbraw/zinc/46/65/56/399466556.db2.gz QYYCDLPARIBCMZ-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO COC(=O)c1[nH]c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000602518080 399466577 /nfs/dbraw/zinc/46/65/77/399466577.db2.gz NAJITZBVNZSCGG-LLVKDONJSA-N 1 0 317.345 2.869 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552599 399473773 /nfs/dbraw/zinc/47/37/73/399473773.db2.gz TXJWPEWYPGGORB-LLVKDONJSA-N 1 0 306.366 2.556 20 5 DFBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@@H]1[NH3+] ZINC000269223628 207343528 /nfs/dbraw/zinc/34/35/28/207343528.db2.gz SNUPJLSKIHQQBC-CABZTGNLSA-N 1 0 319.386 2.619 20 5 DFBDRO C[C@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[NH2+]1 ZINC000602556921 399474708 /nfs/dbraw/zinc/47/47/08/399474708.db2.gz XRPGYZAKUSEZGB-ONGXEEELSA-N 1 0 319.386 2.680 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000616487332 399474806 /nfs/dbraw/zinc/47/48/06/399474806.db2.gz XFIKATUOIJNAPJ-GFCCVEGCSA-N 1 0 306.284 2.731 20 5 DFBDRO COc1cc(C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000602557579 399475145 /nfs/dbraw/zinc/47/51/45/399475145.db2.gz LFTJJQRDIPNLGG-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000346796524 284949552 /nfs/dbraw/zinc/94/95/52/284949552.db2.gz SFXCOUXHLSVOSM-GDBMZVCRSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)C([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000611434062 399476298 /nfs/dbraw/zinc/47/62/98/399476298.db2.gz KLZBFFBZXUYIMP-UHFFFAOYSA-N 1 0 307.394 2.828 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000346796529 284949593 /nfs/dbraw/zinc/94/95/93/284949593.db2.gz SFXCOUXHLSVOSM-ZBFHGGJFSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422754670 296327231 /nfs/dbraw/zinc/32/72/31/296327231.db2.gz JTICXQNFKDTDEP-TZMCWYRMSA-N 1 0 319.405 2.836 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000611464411 399478811 /nfs/dbraw/zinc/47/88/11/399478811.db2.gz ONJKADHVLDAKKO-VIFPVBQESA-N 1 0 302.277 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)c2ccccc2)cc1 ZINC000602564312 399477642 /nfs/dbraw/zinc/47/76/42/399477642.db2.gz SJFDKSRDEOPPFH-MRXNPFEDSA-N 1 0 300.358 2.503 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000602581890 399482445 /nfs/dbraw/zinc/48/24/45/399482445.db2.gz TYTWBMGOXPZQOI-CQSZACIVSA-N 1 0 319.405 2.864 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCCC[C@H]([NH3+])C2)c1 ZINC000602577027 399481065 /nfs/dbraw/zinc/48/10/65/399481065.db2.gz FMWZOKIXVXWPSM-NSHDSACASA-N 1 0 323.418 2.660 20 5 DFBDRO CCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602590689 399484953 /nfs/dbraw/zinc/48/49/53/399484953.db2.gz DGSBBRPCSDFGAC-UHFFFAOYSA-N 1 0 305.334 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CCCCO3)nc2c1 ZINC000602596105 399486344 /nfs/dbraw/zinc/48/63/44/399486344.db2.gz GWSKPYXVPDLMSK-LBPRGKRZSA-N 1 0 305.334 2.785 20 5 DFBDRO [NH3+]CC1(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCCC1 ZINC000602601618 399487280 /nfs/dbraw/zinc/48/72/80/399487280.db2.gz KWNFUFGJTYFXKL-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO C[C@H]([NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000602612288 399490315 /nfs/dbraw/zinc/49/03/15/399490315.db2.gz OSWOGSJGRQDEPC-LBPRGKRZSA-N 1 0 317.393 2.835 20 5 DFBDRO CCOC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]1 ZINC000602634978 399497684 /nfs/dbraw/zinc/49/76/84/399497684.db2.gz RELCQDYPYPRNSJ-UHFFFAOYSA-N 1 0 317.345 2.698 20 5 DFBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000602636526 399498794 /nfs/dbraw/zinc/49/87/94/399498794.db2.gz IGFYJOOZNXNZBB-LBPRGKRZSA-N 1 0 306.366 2.622 20 5 DFBDRO CC1(C)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602644428 399500814 /nfs/dbraw/zinc/50/08/14/399500814.db2.gz QMVDBKGGWLSPFW-GFCCVEGCSA-N 1 0 318.295 2.816 20 5 DFBDRO COc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292922293 532959134 /nfs/dbraw/zinc/95/91/34/532959134.db2.gz YMGBWGIXAWESLR-MRXNPFEDSA-N 1 0 305.378 2.526 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000422832579 296341593 /nfs/dbraw/zinc/34/15/93/296341593.db2.gz YAOQOWOYUKRFPG-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347017805 285005738 /nfs/dbraw/zinc/00/57/38/285005738.db2.gz YQIHEFUZFGTWFT-LBPRGKRZSA-N 1 0 323.780 2.557 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708969 399508839 /nfs/dbraw/zinc/50/88/39/399508839.db2.gz OUCRJXXCADOLMW-IAQYHMDHSA-N 1 0 315.377 2.679 20 5 DFBDRO CC(=O)N1CCC[N@@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361490 285014547 /nfs/dbraw/zinc/01/45/47/285014547.db2.gz OZAUIFCOBZXYEY-KAMYIIQDSA-N 1 0 317.389 2.552 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347369810 285017568 /nfs/dbraw/zinc/01/75/68/285017568.db2.gz UKYMHLRCOBFJQU-ISBHARSQSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668056 399511304 /nfs/dbraw/zinc/51/13/04/399511304.db2.gz SIDMOAGHQBMQJS-FZMZJTMJSA-N 1 0 318.377 2.508 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000422880105 296349371 /nfs/dbraw/zinc/34/93/71/296349371.db2.gz NEOQWOGQMKSODT-KGLIPLIRSA-N 1 0 317.389 2.685 20 5 DFBDRO CCc1ccc([C@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602671051 399513758 /nfs/dbraw/zinc/51/37/58/399513758.db2.gz TZQSLOQFTZJCNF-HNNXBMFYSA-N 1 0 314.389 2.880 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422892816 296351966 /nfs/dbraw/zinc/35/19/66/296351966.db2.gz NXCVEOKTTGPLNZ-CYBMUJFWSA-N 1 0 305.378 2.542 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000602680538 399517897 /nfs/dbraw/zinc/51/78/97/399517897.db2.gz DENDACLJBTYKEM-JQWIXIFHSA-N 1 0 318.295 2.864 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3C[C@H]3C3CC3)CC2)cn1 ZINC000602681884 399518093 /nfs/dbraw/zinc/51/80/93/399518093.db2.gz OCJCEWIQYSYIRD-BBRMVZONSA-N 1 0 316.405 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(CF)CCOCC3)nc2c1 ZINC000602685441 399521038 /nfs/dbraw/zinc/52/10/38/399521038.db2.gz PGKFFKWXQLQTPE-UHFFFAOYSA-N 1 0 323.324 2.592 20 5 DFBDRO COCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602704064 399528790 /nfs/dbraw/zinc/52/87/90/399528790.db2.gz BRSRFFBLFGIOQF-UHFFFAOYSA-N 1 0 305.334 2.785 20 5 DFBDRO C[C@@H](CCO)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704128 399529055 /nfs/dbraw/zinc/52/90/55/399529055.db2.gz FBBRCSMBLHMSGD-ZETCQYMHSA-N 1 0 323.212 2.622 20 5 DFBDRO C[C@H](CCO)N(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602704127 399529195 /nfs/dbraw/zinc/52/91/95/399529195.db2.gz FBBRCSMBLHMSGD-SSDOTTSWSA-N 1 0 323.212 2.622 20 5 DFBDRO COc1ccc(C[NH2+]CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000120149395 195106222 /nfs/dbraw/zinc/10/62/22/195106222.db2.gz IEIJTVALBWGKEB-UHFFFAOYSA-N 1 0 302.330 2.772 20 5 DFBDRO C[C@H](COCC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602712834 399534042 /nfs/dbraw/zinc/53/40/42/399534042.db2.gz OOMKKDBWTYWXHB-SNVBAGLBSA-N 1 0 305.334 2.641 20 5 DFBDRO CC(C)[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602719621 399537348 /nfs/dbraw/zinc/53/73/48/399537348.db2.gz ZZRUKGFEVQFSQD-KRWDZBQOSA-N 1 0 318.421 2.983 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000276600461 285102143 /nfs/dbraw/zinc/10/21/43/285102143.db2.gz KOGFQIRMAFWIIR-AWEZNQCLSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+]3CCCC[C@@H]23)s1 ZINC000286343396 218929102 /nfs/dbraw/zinc/92/91/02/218929102.db2.gz KKHWUOSRPDYINF-QWRGUYRKSA-N 1 0 319.390 2.638 20 5 DFBDRO CC(=O)c1ccc(N[C@H](C)C2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000273004210 210383439 /nfs/dbraw/zinc/38/34/39/210383439.db2.gz RMWLVDJUGMBQKA-LLVKDONJSA-N 1 0 303.362 2.860 20 5 DFBDRO CCC1([NH+](C)C)CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602738982 399550446 /nfs/dbraw/zinc/55/04/46/399550446.db2.gz NPRXLCDLAFFEDW-UHFFFAOYSA-N 1 0 305.422 2.944 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288632237 220306525 /nfs/dbraw/zinc/30/65/25/220306525.db2.gz STVVOJNYDQPWTK-PXAZEXFGSA-N 1 0 316.357 2.815 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCO)C2CCC2)c1 ZINC000294629128 224129655 /nfs/dbraw/zinc/12/96/55/224129655.db2.gz PGMJOLRBGZPVTM-UHFFFAOYSA-N 1 0 318.295 2.960 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000120246547 195126623 /nfs/dbraw/zinc/12/66/23/195126623.db2.gz GGMOBMMPYXZRHO-UHFFFAOYSA-N 1 0 320.393 2.819 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000272899211 210287153 /nfs/dbraw/zinc/28/71/53/210287153.db2.gz CNANLVSKWAGNPS-AWEZNQCLSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000602768839 399563744 /nfs/dbraw/zinc/56/37/44/399563744.db2.gz BYIMYRCSXGYZKR-UHFFFAOYSA-N 1 0 322.409 2.523 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158569496 197285017 /nfs/dbraw/zinc/28/50/17/197285017.db2.gz RCLSKGXLMPHDPK-VXGBXAGGSA-N 1 0 323.418 2.564 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000602773648 399566803 /nfs/dbraw/zinc/56/68/03/399566803.db2.gz WHBWVHYBYATNRG-AWEZNQCLSA-N 1 0 318.352 2.728 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CCCC4)C3)ccc2c1 ZINC000301160451 285150460 /nfs/dbraw/zinc/15/04/60/285150460.db2.gz RYTBJBVUHKLRDB-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1=CCCOC1)C1CC1 ZINC000287111052 285160876 /nfs/dbraw/zinc/16/08/76/285160876.db2.gz QMWPQJXLGIVUEI-MRXNPFEDSA-N 1 0 302.374 2.852 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1nccs1 ZINC000157964777 197231069 /nfs/dbraw/zinc/23/10/69/197231069.db2.gz ZSSKPJNMDQJXRC-UHFFFAOYSA-N 1 0 307.375 2.734 20 5 DFBDRO CC[C@@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602792900 399575590 /nfs/dbraw/zinc/57/55/90/399575590.db2.gz MCBMPVYLRXDOEW-CQSZACIVSA-N 1 0 323.422 2.780 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000602792090 399575702 /nfs/dbraw/zinc/57/57/02/399575702.db2.gz UXHUQQDUGKPWHS-OAHLLOKOSA-N 1 0 316.361 2.642 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000602794137 399576793 /nfs/dbraw/zinc/57/67/93/399576793.db2.gz GHSSKBZNKSSTDO-UHFFFAOYSA-N 1 0 314.389 2.893 20 5 DFBDRO COc1ccc(C[NH+]2CCC([C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000612131045 399589351 /nfs/dbraw/zinc/58/93/51/399589351.db2.gz RVRHPXCAKVESAH-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+]([C@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000377395602 285190389 /nfs/dbraw/zinc/19/03/89/285190389.db2.gz FSQGHIQSNYJYBJ-PVAVHDDUSA-N 1 0 312.373 2.984 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000423273782 296399522 /nfs/dbraw/zinc/39/95/22/296399522.db2.gz JJCHVGGGQYVOGD-WFASDCNBSA-N 1 0 319.405 2.859 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000154913734 197004856 /nfs/dbraw/zinc/00/48/56/197004856.db2.gz IQKCCHOHMUDGMG-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO COCC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000347915049 285242849 /nfs/dbraw/zinc/24/28/49/285242849.db2.gz ADWWQPXXONWOOE-HNNXBMFYSA-N 1 0 320.345 2.934 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000294706721 224182443 /nfs/dbraw/zinc/18/24/43/224182443.db2.gz BNXZMEBQZMWHRQ-NVXWUHKLSA-N 1 0 313.357 3.000 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000423471089 296419086 /nfs/dbraw/zinc/41/90/86/296419086.db2.gz PPKGOUHSQJMZMK-QWRGUYRKSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000271552536 209006587 /nfs/dbraw/zinc/00/65/87/209006587.db2.gz VYSOXTDIKHESJW-TZMCWYRMSA-N 1 0 305.378 2.563 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602888157 399616141 /nfs/dbraw/zinc/61/61/41/399616141.db2.gz LHVNSDCLPILJSD-ZFWWWQNUSA-N 1 0 315.377 2.975 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)n2)c1 ZINC000153271527 196865998 /nfs/dbraw/zinc/86/59/98/196865998.db2.gz HIHIBKHZYJLPPD-BETUJISGSA-N 1 0 314.345 2.877 20 5 DFBDRO CC(C)Oc1cccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)c1 ZINC000120689930 195217266 /nfs/dbraw/zinc/21/72/66/195217266.db2.gz XFSKFXHICLMAPC-UHFFFAOYSA-N 1 0 318.377 2.711 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000271571944 209024189 /nfs/dbraw/zinc/02/41/89/209024189.db2.gz YYANUZUNNJQBSD-LRDDRELGSA-N 1 0 301.346 2.682 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271563312 209015238 /nfs/dbraw/zinc/01/52/38/209015238.db2.gz UOXMHFKTBUFKKD-VXGBXAGGSA-N 1 0 306.284 2.949 20 5 DFBDRO COc1ccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271614777 209062146 /nfs/dbraw/zinc/06/21/46/209062146.db2.gz CCWODNMDNUKNNP-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423602053 296432581 /nfs/dbraw/zinc/43/25/81/296432581.db2.gz HFOPFYIRFRDLPE-FZMZJTMJSA-N 1 0 305.378 2.589 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423626608 296434910 /nfs/dbraw/zinc/43/49/10/296434910.db2.gz SQUSUKGECODEDT-YPMHNXCESA-N 1 0 305.378 2.589 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cs1 ZINC000151386008 196673673 /nfs/dbraw/zinc/67/36/73/196673673.db2.gz PAIRYPNKCFXJFE-WCQYABFASA-N 1 0 314.432 2.801 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294905424 224298963 /nfs/dbraw/zinc/29/89/63/224298963.db2.gz WDLXJYAWSYUQMU-XOPPTJLZSA-N 1 0 317.389 2.785 20 5 DFBDRO C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1=CC[N@H+](C)CC1 ZINC000294921654 224312421 /nfs/dbraw/zinc/31/24/21/224312421.db2.gz ILESHWPDOVONTO-JTQLQIEISA-N 1 0 301.350 2.533 20 5 DFBDRO COc1ncccc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000289848706 221268048 /nfs/dbraw/zinc/26/80/48/221268048.db2.gz PJVPJGPSFWLIEP-UHFFFAOYSA-N 1 0 321.764 2.984 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289851768 221268992 /nfs/dbraw/zinc/26/89/92/221268992.db2.gz PSSRZSAXQWGBAO-MFKMUULPSA-N 1 0 300.305 2.605 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289897835 221301309 /nfs/dbraw/zinc/30/13/09/221301309.db2.gz WQLNVLJLLMMDCQ-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1[C@@H]1CCCO1 ZINC000289911564 221311884 /nfs/dbraw/zinc/31/18/84/221311884.db2.gz UFFVTAPRMZCIMD-JKSUJKDBSA-N 1 0 320.389 2.863 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000289930743 221325086 /nfs/dbraw/zinc/32/50/86/221325086.db2.gz WKGGWDMIJAORIT-IAQYHMDHSA-N 1 0 320.393 2.571 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000289930749 221325289 /nfs/dbraw/zinc/32/52/89/221325289.db2.gz WKGGWDMIJAORIT-XHDPSFHLSA-N 1 0 320.393 2.571 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423704035 296440459 /nfs/dbraw/zinc/44/04/59/296440459.db2.gz DFEYUUWVYMXTMP-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000294950926 224333026 /nfs/dbraw/zinc/33/30/26/224333026.db2.gz AVQGGSRLAUAVEG-YVEFUNNKSA-N 1 0 318.348 2.988 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997509 399654474 /nfs/dbraw/zinc/65/44/74/399654474.db2.gz LUBVPJMTXYDJPX-FMKPAKJESA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000602997227 399654535 /nfs/dbraw/zinc/65/45/35/399654535.db2.gz GAKQOQXXQOGANT-KBMXLJTQSA-N 1 0 308.353 2.859 20 5 DFBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603219090 399713591 /nfs/dbraw/zinc/71/35/91/399713591.db2.gz RSQUINXADPXKQW-CYBMUJFWSA-N 1 0 323.784 2.934 20 5 DFBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603213841 399711687 /nfs/dbraw/zinc/71/16/87/399711687.db2.gz AQNREKHHWKPPIF-ZDUSSCGKSA-N 1 0 323.784 2.934 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000121690192 195330557 /nfs/dbraw/zinc/33/05/57/195330557.db2.gz JLHWETDJOKNGFZ-ZDUSSCGKSA-N 1 0 300.358 2.980 20 5 DFBDRO Cc1c(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000122761540 195497705 /nfs/dbraw/zinc/49/77/05/195497705.db2.gz UTKARGDQGDTGMU-OAHLLOKOSA-N 1 0 321.421 2.538 20 5 DFBDRO C[N@H+](CCCn1ccnc1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271625556 209071922 /nfs/dbraw/zinc/07/19/22/209071922.db2.gz FYBWZCGZIHSYKE-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000294734033 533415591 /nfs/dbraw/zinc/41/55/91/533415591.db2.gz WNDZXKBLLVXQDC-DOMZBBRYSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423936494 296468007 /nfs/dbraw/zinc/46/80/07/296468007.db2.gz CNNLDWMIVNCSFK-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366629660 131046750 /nfs/dbraw/zinc/04/67/50/131046750.db2.gz NLLBFAJZPSSULN-DOMZBBRYSA-N 1 0 306.362 2.604 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000146476046 542660267 /nfs/dbraw/zinc/66/02/67/542660267.db2.gz MGQAVVZUXNUZRO-AWEZNQCLSA-N 1 0 317.389 2.732 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617831914 399810724 /nfs/dbraw/zinc/81/07/24/399810724.db2.gz WGMINXBKLNMTKE-ZFWWWQNUSA-N 1 0 319.405 2.687 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424324734 296502390 /nfs/dbraw/zinc/50/23/90/296502390.db2.gz MCOGIMXSQTXTOQ-SWLSCSKDSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000309764486 543066188 /nfs/dbraw/zinc/06/61/88/543066188.db2.gz FSHIYCKYFXNBMK-LBPRGKRZSA-N 1 0 315.377 2.504 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCN(c3cccnc3[N+](=O)[O-])C2)[nH+]1 ZINC000604557783 399855745 /nfs/dbraw/zinc/85/57/45/399855745.db2.gz UUYIKZDKZYNHSP-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO CS[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000357465080 543261968 /nfs/dbraw/zinc/26/19/68/543261968.db2.gz WWCQRHILTOYLMG-HUUCEWRRSA-N 1 0 321.446 2.919 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000349247532 285816007 /nfs/dbraw/zinc/81/60/07/285816007.db2.gz PAIVMJVVFBRYMH-JSGCOSHPSA-N 1 0 319.405 2.881 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+]2CCC1CC2 ZINC000349336387 285837935 /nfs/dbraw/zinc/83/79/35/285837935.db2.gz XHFHZVSXCUIPTO-KAMYIIQDSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC000173473717 145344213 /nfs/dbraw/zinc/34/42/13/145344213.db2.gz WHLRKAFOWCXEKU-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CO[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000425419096 296579826 /nfs/dbraw/zinc/57/98/26/296579826.db2.gz MZKNIWRXHSXPNO-KRWDZBQOSA-N 1 0 320.389 2.863 20 5 DFBDRO Cc1c(C(=O)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000237779913 146052086 /nfs/dbraw/zinc/05/20/86/146052086.db2.gz XUQVSKHMDHFVCP-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000238120361 146059352 /nfs/dbraw/zinc/05/93/52/146059352.db2.gz FIDHZXMYRBDPTF-BHMZLHOFSA-N 1 0 312.369 2.801 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCO)ccc1Oc1ccc(F)cc1 ZINC000238187291 146060643 /nfs/dbraw/zinc/06/06/43/146060643.db2.gz JJBQTCDJYIERNY-UHFFFAOYSA-N 1 0 306.293 2.608 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245552413 146082595 /nfs/dbraw/zinc/08/25/95/146082595.db2.gz QKSNYRZNKHYYOK-XJKSGUPXSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245776565 146102521 /nfs/dbraw/zinc/10/25/21/146102521.db2.gz AEZVSTDFFIDQAS-AAEUAGOBSA-N 1 0 305.378 2.820 20 5 DFBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000245926194 146111073 /nfs/dbraw/zinc/11/10/73/146111073.db2.gz IJLRDQSCOIQCED-STQMWFEESA-N 1 0 309.797 2.965 20 5 DFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000245926191 146111451 /nfs/dbraw/zinc/11/14/51/146111451.db2.gz IJLRDQSCOIQCED-OLZOCXBDSA-N 1 0 309.797 2.965 20 5 DFBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H]1C ZINC000246708010 146150687 /nfs/dbraw/zinc/15/06/87/146150687.db2.gz KYWVXPOMOLTIQR-STQMWFEESA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000247354153 146166727 /nfs/dbraw/zinc/16/67/27/146166727.db2.gz PNOUJUGHMIYIIY-YPMHNXCESA-N 1 0 318.377 2.604 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000249283589 146193057 /nfs/dbraw/zinc/19/30/57/146193057.db2.gz NJKOVDIRERKQFO-DGCLKSJQSA-N 1 0 318.402 2.984 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000249907518 146208396 /nfs/dbraw/zinc/20/83/96/146208396.db2.gz MTOAKIFTXGPPBA-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc(SC)c([N+](=O)[O-])c2)n1 ZINC000261644555 146252248 /nfs/dbraw/zinc/25/22/48/146252248.db2.gz DNILJQFPMRRBMQ-MRVPVSSYSA-N 1 0 308.363 2.517 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000261642355 146252270 /nfs/dbraw/zinc/25/22/70/146252270.db2.gz FAVGRUDBRZFHJQ-IACUBPJLSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000261703651 146262047 /nfs/dbraw/zinc/26/20/47/146262047.db2.gz KIUHNEAAOZKERB-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000261827759 146284569 /nfs/dbraw/zinc/28/45/69/146284569.db2.gz XJZXTVWQOHYDKY-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000261984088 146315187 /nfs/dbraw/zinc/31/51/87/146315187.db2.gz RYCRSEZJRUFDHH-RYUDHWBXSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH2+]CC3CC3)CC2)c(F)c1 ZINC000262552835 146370224 /nfs/dbraw/zinc/37/02/24/146370224.db2.gz SSCYZWUPJIXUEG-UHFFFAOYSA-N 1 0 307.369 2.698 20 5 DFBDRO CCCN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CC[NH2+]C1 ZINC000262566284 146373217 /nfs/dbraw/zinc/37/32/17/146373217.db2.gz WSAKTVSPKPFFBL-GFCCVEGCSA-N 1 0 300.362 2.721 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@H]1C ZINC000354355982 147006456 /nfs/dbraw/zinc/00/64/56/147006456.db2.gz ZCIYABFXOKODJR-MNOVXSKESA-N 1 0 323.422 2.613 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000354383577 147017234 /nfs/dbraw/zinc/01/72/34/147017234.db2.gz AOFSBUGZYORIKW-UKRRQHHQSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000354405867 147025195 /nfs/dbraw/zinc/02/51/95/147025195.db2.gz RSEOQVBGAVUXHI-ZFWWWQNUSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000354405854 147025455 /nfs/dbraw/zinc/02/54/55/147025455.db2.gz RSEOQVBGAVUXHI-DZGCQCFKSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000354420316 147030787 /nfs/dbraw/zinc/03/07/87/147030787.db2.gz FBXVPASGNZMXIY-UONOGXRCSA-N 1 0 319.405 2.848 20 5 DFBDRO CCC[N@H+](C)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355468911 147327921 /nfs/dbraw/zinc/32/79/21/147327921.db2.gz NAPZMRLKSBGREF-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355539052 147354805 /nfs/dbraw/zinc/35/48/05/147354805.db2.gz WTKGPXUAWYPSMT-CQSZACIVSA-N 1 0 310.419 2.593 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000355578042 147370758 /nfs/dbraw/zinc/37/07/58/147370758.db2.gz FFNYCBQGAKNQDQ-CHWSQXEVSA-N 1 0 320.393 2.816 20 5 DFBDRO COC(=O)COc1ccc(C[N@H+](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000355586129 147373879 /nfs/dbraw/zinc/37/38/79/147373879.db2.gz SHJBYMHMJDVARO-UHFFFAOYSA-N 1 0 322.361 2.519 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000357662723 148075424 /nfs/dbraw/zinc/07/54/24/148075424.db2.gz JUECHIGZLVILED-ZDUSSCGKSA-N 1 0 322.409 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)c(F)c1 ZINC000350312347 286026861 /nfs/dbraw/zinc/02/68/61/286026861.db2.gz PKUSGVYKYQZTJL-ZDUSSCGKSA-N 1 0 324.352 2.552 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)c(F)c1 ZINC000350312346 286026973 /nfs/dbraw/zinc/02/69/73/286026973.db2.gz PKUSGVYKYQZTJL-CYBMUJFWSA-N 1 0 324.352 2.552 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000358324668 148329525 /nfs/dbraw/zinc/32/95/25/148329525.db2.gz UUMDFBKWVQDKGP-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000358378367 148345823 /nfs/dbraw/zinc/34/58/23/148345823.db2.gz VAMUBLDYLRHXBP-UWVGGRQHSA-N 1 0 306.284 2.867 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415740 148351597 /nfs/dbraw/zinc/35/15/97/148351597.db2.gz UJIWDONTEXDKSQ-ZFWWWQNUSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1c(NC(=O)NCC[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000358452192 148364595 /nfs/dbraw/zinc/36/45/95/148364595.db2.gz GWLJRMNLODCURB-UHFFFAOYSA-N 1 0 318.377 2.677 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000359220421 148605533 /nfs/dbraw/zinc/60/55/33/148605533.db2.gz QKHULKAAKGHZBY-ZDUSSCGKSA-N 1 0 317.345 2.555 20 5 DFBDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000361221517 149058167 /nfs/dbraw/zinc/05/81/67/149058167.db2.gz SSGPMGGSLSWGGG-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO C[C@@](O)(C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000361350305 149092982 /nfs/dbraw/zinc/09/29/82/149092982.db2.gz DWDMQFPDAXZQBD-DOTOQJQBSA-N 1 0 304.390 2.667 20 5 DFBDRO CC[C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@]2(CCOC2)O1 ZINC000361525005 149139734 /nfs/dbraw/zinc/13/97/34/149139734.db2.gz MJWJCBOMTQMTNU-WBMJQRKESA-N 1 0 324.352 2.504 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000361724908 149201819 /nfs/dbraw/zinc/20/18/19/149201819.db2.gz BLJDPXIXNUVWDN-SFHVURJKSA-N 1 0 314.385 2.926 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000366857953 149504431 /nfs/dbraw/zinc/50/44/31/149504431.db2.gz NBOMAPKPZGEJQX-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371308589 150020256 /nfs/dbraw/zinc/02/02/56/150020256.db2.gz QAHJHRKXIJQFKZ-ZDUSSCGKSA-N 1 0 303.362 2.655 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372209428 150150283 /nfs/dbraw/zinc/15/02/83/150150283.db2.gz BWBKXULMBYNXLQ-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1ccccc1C1=CC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000372351020 150165253 /nfs/dbraw/zinc/16/52/53/150165253.db2.gz TWPQIOWFCPNPJQ-UHFFFAOYSA-N 1 0 312.373 2.889 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372862378 150194548 /nfs/dbraw/zinc/19/45/48/150194548.db2.gz ZWKDRXTVIODPAA-ZDUSSCGKSA-N 1 0 303.362 2.655 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000372896746 150198450 /nfs/dbraw/zinc/19/84/50/150198450.db2.gz GFXPSSHMMWYTOP-LSDHHAIUSA-N 1 0 318.352 2.856 20 5 DFBDRO CCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372998084 150213844 /nfs/dbraw/zinc/21/38/44/150213844.db2.gz OTQHWHQQYIWIAG-GDBMZVCRSA-N 1 0 324.425 2.760 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCCC12CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000373101597 150231647 /nfs/dbraw/zinc/23/16/47/150231647.db2.gz WXFSOHWYNUHYEV-UHFFFAOYSA-N 1 0 303.362 2.576 20 5 DFBDRO CCOc1cc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351633765 286176392 /nfs/dbraw/zinc/17/63/92/286176392.db2.gz LYIXVWXQCRNDOB-DZGCQCFKSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374038837 150296899 /nfs/dbraw/zinc/29/68/99/150296899.db2.gz BTONPGRJGGEQQR-UKRRQHHQSA-N 1 0 314.389 2.781 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374047753 150297881 /nfs/dbraw/zinc/29/78/81/150297881.db2.gz DRBLINCHIIMSCS-CQSZACIVSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064864 150300999 /nfs/dbraw/zinc/30/09/99/150300999.db2.gz KTUCZSRYSILOFF-NEPJUHHUSA-N 1 0 306.391 2.731 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000374148431 150312769 /nfs/dbraw/zinc/31/27/69/150312769.db2.gz YECJKPCQXHITCO-AWEZNQCLSA-N 1 0 300.362 2.767 20 5 DFBDRO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000351728895 286204577 /nfs/dbraw/zinc/20/45/77/286204577.db2.gz IVMFZSBSZKLGGZ-KBPBESRZSA-N 1 0 300.305 2.920 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351748334 286209225 /nfs/dbraw/zinc/20/92/25/286209225.db2.gz HMUMBPCPYWLJCW-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000352408582 286365876 /nfs/dbraw/zinc/36/58/76/286365876.db2.gz YQMBMCIJRQRJCZ-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000352408584 286365922 /nfs/dbraw/zinc/36/59/22/286365922.db2.gz YQMBMCIJRQRJCZ-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1cc(CN(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000352417859 286368383 /nfs/dbraw/zinc/36/83/83/286368383.db2.gz VLFANHBKMUGOAB-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000245537821 292295851 /nfs/dbraw/zinc/29/58/51/292295851.db2.gz YSJLLRPIZIOLBW-DZGCQCFKSA-N 1 0 315.377 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000352696128 286444159 /nfs/dbraw/zinc/44/41/59/286444159.db2.gz ZTDPRRHWSPPTBR-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(CO)C(C)C ZINC000352884237 286493393 /nfs/dbraw/zinc/49/33/93/286493393.db2.gz QLUJINOBHCQHJC-INIZCTEOSA-N 1 0 310.394 2.879 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000182076387 158000768 /nfs/dbraw/zinc/00/07/68/158000768.db2.gz GKCSNLSTQOMNRW-JKSUJKDBSA-N 1 0 303.406 2.962 20 5 DFBDRO CCCC[N@H+](CCOC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184212586 158029716 /nfs/dbraw/zinc/02/97/16/158029716.db2.gz KRQPNPWZTIZGEE-UHFFFAOYSA-N 1 0 314.357 2.991 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248563321 158184865 /nfs/dbraw/zinc/18/48/65/158184865.db2.gz NVCQAIHODSWGMZ-BARDWOONSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248638382 158192222 /nfs/dbraw/zinc/19/22/22/158192222.db2.gz QUZXSVTZDUESDL-RDJZCZTQSA-N 1 0 303.406 2.819 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000353903860 158232277 /nfs/dbraw/zinc/23/22/77/158232277.db2.gz KIJUKIDUZVXCOX-RISCZKNCSA-N 1 0 320.393 2.761 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000357037502 158353754 /nfs/dbraw/zinc/35/37/54/158353754.db2.gz LXQUPWWYQVOUME-GFCCVEGCSA-N 1 0 319.405 2.646 20 5 DFBDRO O=[N+]([O-])c1cnccc1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000357051714 158357057 /nfs/dbraw/zinc/35/70/57/158357057.db2.gz PXXBSWRIYROLMF-MRXNPFEDSA-N 1 0 312.373 2.661 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372409512 158687348 /nfs/dbraw/zinc/68/73/48/158687348.db2.gz SJZKELPTOIWJPF-ZIAGYGMSSA-N 1 0 319.405 2.860 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000373722589 158770278 /nfs/dbraw/zinc/77/02/78/158770278.db2.gz ZYTQXCKIBVMICK-HOTGVXAUSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000430923618 296812297 /nfs/dbraw/zinc/81/22/97/296812297.db2.gz FGTLNTPWOSGKCI-STQMWFEESA-N 1 0 307.394 2.564 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]Cc2ccccc21 ZINC000430933308 296813183 /nfs/dbraw/zinc/81/31/83/296813183.db2.gz KMLBORRUVKCVFM-UHFFFAOYSA-N 1 0 301.321 2.844 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000053814234 425888910 /nfs/dbraw/zinc/88/89/10/425888910.db2.gz PSYUMCQWZBFKOU-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000131740015 196195204 /nfs/dbraw/zinc/19/52/04/196195204.db2.gz AIDCARVFVIBIQO-AWEZNQCLSA-N 1 0 320.389 2.612 20 5 DFBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000134273067 196376095 /nfs/dbraw/zinc/37/60/95/196376095.db2.gz WJCUIDJMIMJKSL-JTQLQIEISA-N 1 0 315.167 2.578 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134349091 196381130 /nfs/dbraw/zinc/38/11/30/196381130.db2.gz BYODWSFSCLQBDQ-CYBMUJFWSA-N 1 0 323.368 2.728 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000291068498 222112735 /nfs/dbraw/zinc/11/27/35/222112735.db2.gz WYCAIIOTXFVJJL-GFCCVEGCSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1cc(NCCCC[NH+]2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000291007448 222067262 /nfs/dbraw/zinc/06/72/62/222067262.db2.gz UNLUFRDXBUFTPU-UHFFFAOYSA-N 1 0 311.357 2.567 20 5 DFBDRO COc1cc(C[NH2+]C[C@](C)(OC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000291072425 222116762 /nfs/dbraw/zinc/11/67/62/222116762.db2.gz SDLHUPRJWNWCHO-INIZCTEOSA-N 1 0 324.377 2.517 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@H](C)OC ZINC000291348853 222332765 /nfs/dbraw/zinc/33/27/65/222332765.db2.gz XRLYWCGNCCOPFF-ZDUSSCGKSA-N 1 0 323.393 2.589 20 5 DFBDRO CC[C@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000271742667 287507877 /nfs/dbraw/zinc/50/78/77/287507877.db2.gz WNGKSJWTLMPCTE-TZMCWYRMSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435382940 296958889 /nfs/dbraw/zinc/95/88/89/296958889.db2.gz FXOJGOYRRBWFAZ-LLVKDONJSA-N 1 0 318.402 2.512 20 5 DFBDRO Cc1nn(C)c(NC[C@H](C(C)C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000301279843 229604074 /nfs/dbraw/zinc/60/40/74/229604074.db2.gz LXJOHUJBMFWBRW-CQSZACIVSA-N 1 0 323.441 2.949 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302022955 230042941 /nfs/dbraw/zinc/04/29/41/230042941.db2.gz GLWXGYLOJQGDGD-KBPBESRZSA-N 1 0 321.421 2.867 20 5 DFBDRO COCCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102419293 425921223 /nfs/dbraw/zinc/92/12/23/425921223.db2.gz DUZHFYCFCCMIQO-UHFFFAOYSA-N 1 0 320.345 2.990 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000102573219 425922169 /nfs/dbraw/zinc/92/21/69/425922169.db2.gz RCSBFXUMDXJQIM-UHFFFAOYSA-N 1 0 308.382 2.755 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000005453087 425625117 /nfs/dbraw/zinc/62/51/17/425625117.db2.gz HJFPFZBVCDVQSY-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000010017705 425698287 /nfs/dbraw/zinc/69/82/87/425698287.db2.gz BOGCXIZIBIEKOQ-MRXNPFEDSA-N 1 0 313.357 2.628 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188934619 267920067 /nfs/dbraw/zinc/92/00/67/267920067.db2.gz FLPGTFJZBVIXJL-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO CC[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000030144996 425830191 /nfs/dbraw/zinc/83/01/91/425830191.db2.gz CLGHRKFVFOROJM-ZDUSSCGKSA-N 1 0 317.389 2.606 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000037647797 425848902 /nfs/dbraw/zinc/84/89/02/425848902.db2.gz ZXXDTHMFSUESPA-VIFPVBQESA-N 1 0 314.183 2.721 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194313243 268097758 /nfs/dbraw/zinc/09/77/58/268097758.db2.gz XDDFJAMQTUWRFT-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245452986 268164359 /nfs/dbraw/zinc/16/43/59/268164359.db2.gz FDBOAHSTZQPUCZ-FRRDWIJNSA-N 1 0 305.378 2.645 20 5 DFBDRO CCc1nc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000271468739 268249672 /nfs/dbraw/zinc/24/96/72/268249672.db2.gz LLHBGMCFAIXKGF-LLVKDONJSA-N 1 0 304.350 2.742 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000272547610 268252818 /nfs/dbraw/zinc/25/28/18/268252818.db2.gz QUPXBJHWTQOXFY-JTQLQIEISA-N 1 0 312.801 2.810 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C1CC1 ZINC000289541960 268280590 /nfs/dbraw/zinc/28/05/90/268280590.db2.gz WXJGAMYHPIFPES-LXZKKBNFSA-N 1 0 304.390 2.667 20 5 DFBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+](C)C ZINC000294164186 268289092 /nfs/dbraw/zinc/28/90/92/268289092.db2.gz MBAKNNYFYBKGTQ-JTQLQIEISA-N 1 0 321.402 2.737 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319908964 268347223 /nfs/dbraw/zinc/34/72/23/268347223.db2.gz MGJTWTPTMRJESF-VIFPVBQESA-N 1 0 318.299 2.905 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000332277673 268359730 /nfs/dbraw/zinc/35/97/30/268359730.db2.gz DDSWYKSGOBEIOH-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[C@@H]1c2ccsc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157676009 425938748 /nfs/dbraw/zinc/93/87/48/425938748.db2.gz JLWPOIKISSYZTQ-CYBMUJFWSA-N 1 0 306.391 2.862 20 5 DFBDRO CC(C)(C)C[N@H+](CCCO)CCOc1ccc([N+](=O)[O-])cc1 ZINC000106934905 425981363 /nfs/dbraw/zinc/98/13/63/425981363.db2.gz MWUWFYOHPAZOSH-UHFFFAOYSA-N 1 0 310.394 2.704 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000071148189 425982784 /nfs/dbraw/zinc/98/27/84/425982784.db2.gz YSIRQBBSTZXFIB-SECBINFHSA-N 1 0 303.284 2.659 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125642874 425983740 /nfs/dbraw/zinc/98/37/40/425983740.db2.gz AAOBKRQKROWALN-ZDUSSCGKSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000125874933 425993555 /nfs/dbraw/zinc/99/35/55/425993555.db2.gz IPYIBKCDYPVUAQ-ZDUSSCGKSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000125356209 425967631 /nfs/dbraw/zinc/96/76/31/425967631.db2.gz HMYOVDLLQYTAPT-CYBMUJFWSA-N 1 0 317.389 2.684 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000126620119 426028902 /nfs/dbraw/zinc/02/89/02/426028902.db2.gz FZCFPBAONQTASJ-HIFRSBDPSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000161915610 426045524 /nfs/dbraw/zinc/04/55/24/426045524.db2.gz ADLZSASRSVWQDM-HIFRSBDPSA-N 1 0 316.405 2.751 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000074337679 426045955 /nfs/dbraw/zinc/04/59/55/426045955.db2.gz JLJAMAHUGKKQGR-UHFFFAOYSA-N 1 0 321.421 2.762 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161981173 426048418 /nfs/dbraw/zinc/04/84/18/426048418.db2.gz IJKLBOLDUIUHGV-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO CCC[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162451366 426065564 /nfs/dbraw/zinc/06/55/64/426065564.db2.gz SRPKAALJXOCEKU-UHFFFAOYSA-N 1 0 317.183 2.562 20 5 DFBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860344 426088013 /nfs/dbraw/zinc/08/80/13/426088013.db2.gz IKEJFTSZYOTUBY-MRXNPFEDSA-N 1 0 305.422 2.944 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076003441 426093800 /nfs/dbraw/zinc/09/38/00/426093800.db2.gz QCEKUJUWVGKRPH-AWEZNQCLSA-N 1 0 321.421 2.767 20 5 DFBDRO Cc1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000127972460 426095171 /nfs/dbraw/zinc/09/51/71/426095171.db2.gz CJFKIZVITDUSHV-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113232289 426109310 /nfs/dbraw/zinc/10/93/10/426109310.db2.gz IZVDATXUXDQENM-ZYHUDNBSSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)c(C[NH+](C)C)c1 ZINC000113911588 426123172 /nfs/dbraw/zinc/12/31/72/426123172.db2.gz AMMBDHOKLQCHTN-UHFFFAOYSA-N 1 0 303.318 2.810 20 5 DFBDRO CN(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202339 426126333 /nfs/dbraw/zinc/12/63/33/426126333.db2.gz NMUSPTZZFPCPKA-WMZOPIPTSA-N 1 0 317.433 2.846 20 5 DFBDRO COCCCN(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166771275 426128354 /nfs/dbraw/zinc/12/83/54/426128354.db2.gz KFHYRXBMUVQESD-CQSZACIVSA-N 1 0 309.410 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000128679302 426129748 /nfs/dbraw/zinc/12/97/48/426129748.db2.gz KVWTVFZQKFAYOV-UHFFFAOYSA-N 1 0 318.352 2.981 20 5 DFBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077422528 426133374 /nfs/dbraw/zinc/13/33/74/426133374.db2.gz OHPJDOXJYGYYDB-WDEREUQCSA-N 1 0 321.402 2.825 20 5 DFBDRO CCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000167718582 426133467 /nfs/dbraw/zinc/13/34/67/426133467.db2.gz RSHUBPAUEBDZEH-SMDDNHRTSA-N 1 0 315.377 2.934 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3ccccc3F)CC2)n1 ZINC000127592411 426075149 /nfs/dbraw/zinc/07/51/49/426075149.db2.gz GMJKIBJCMGQJRM-UHFFFAOYSA-N 1 0 316.336 2.720 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112442559 426079275 /nfs/dbraw/zinc/07/92/75/426079275.db2.gz DPKPWFYTHKSXPF-CYBMUJFWSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1c(CC(=O)N[C@@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000163014339 426085943 /nfs/dbraw/zinc/08/59/43/426085943.db2.gz OTTFIPAWEPPYLE-HNNXBMFYSA-N 1 0 321.421 2.538 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000170973918 426162727 /nfs/dbraw/zinc/16/27/27/426162727.db2.gz AEBMCHOVOPBLIL-ZDUSSCGKSA-N 1 0 323.418 2.747 20 5 DFBDRO Cc1c(CN2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000171708547 426205856 /nfs/dbraw/zinc/20/58/56/426205856.db2.gz CZHXCHYKAOEOMV-INIZCTEOSA-N 1 0 303.406 2.963 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000078613059 426177882 /nfs/dbraw/zinc/17/78/82/426177882.db2.gz CDMLFEDKQATGSM-GFCCVEGCSA-N 1 0 321.381 2.725 20 5 DFBDRO C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000080772165 426217596 /nfs/dbraw/zinc/21/75/96/426217596.db2.gz QXOJGEVPDOHDTR-NSHDSACASA-N 1 0 308.382 2.693 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000084439837 426237684 /nfs/dbraw/zinc/23/76/84/426237684.db2.gz DDZCTYKBQDCHKC-LLVKDONJSA-N 1 0 309.797 2.822 20 5 DFBDRO C[N@@H+](Cc1ccccc1F)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136810636 426246901 /nfs/dbraw/zinc/24/69/01/426246901.db2.gz SSKNHTVQFSUYND-INIZCTEOSA-N 1 0 304.321 2.899 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173794310 426248545 /nfs/dbraw/zinc/24/85/45/426248545.db2.gz AXBWNUFJYRZAFI-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+]1CCCC1 ZINC000118888015 426250332 /nfs/dbraw/zinc/25/03/32/426250332.db2.gz OOWVHGJXAFKOBU-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119141973 426265137 /nfs/dbraw/zinc/26/51/37/426265137.db2.gz OLCLNLPNGFEPFB-HZPDHXFCSA-N 1 0 308.378 2.831 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000150938231 426267911 /nfs/dbraw/zinc/26/79/11/426267911.db2.gz BHVHUMVYAJUHFH-ZDUSSCGKSA-N 1 0 320.393 2.694 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000119201605 426269430 /nfs/dbraw/zinc/26/94/30/426269430.db2.gz NVCQAIHODSWGMZ-KBXIAJHMSA-N 1 0 322.405 2.749 20 5 DFBDRO CC(C)C[C@@H](CNC(=O)CCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000087329832 426270795 /nfs/dbraw/zinc/27/07/95/426270795.db2.gz NIYLMYOLYVQTLM-INIZCTEOSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333302 426211388 /nfs/dbraw/zinc/21/13/88/426211388.db2.gz DKSWJEHDXKDRRZ-GFCCVEGCSA-N 1 0 319.361 2.625 20 5 DFBDRO CCOc1cc(NCCCC[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000080772666 426217201 /nfs/dbraw/zinc/21/72/01/426217201.db2.gz FRXQHDXTRAJEAO-UHFFFAOYSA-N 1 0 323.393 2.518 20 5 DFBDRO CC1(C)CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000175416584 426303000 /nfs/dbraw/zinc/30/30/00/426303000.db2.gz TXDBDHUOCZHTNT-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175816155 426331249 /nfs/dbraw/zinc/33/12/49/426331249.db2.gz DZTPVKBMWMTRHK-GFCCVEGCSA-N 1 0 321.421 2.863 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121303502 426332791 /nfs/dbraw/zinc/33/27/91/426332791.db2.gz NZWDJKBYBVHFEO-CYBMUJFWSA-N 1 0 317.389 2.600 20 5 DFBDRO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151076752 426275984 /nfs/dbraw/zinc/27/59/84/426275984.db2.gz SYXLLDFYRFFIHJ-KRWDZBQOSA-N 1 0 319.405 2.894 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175162139 426283432 /nfs/dbraw/zinc/28/34/32/426283432.db2.gz GGFABZMVMBWRTG-GXTWGEPZSA-N 1 0 306.366 2.589 20 5 DFBDRO COCC[N@H+](C)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752970 426404739 /nfs/dbraw/zinc/40/47/39/426404739.db2.gz BBSNNQUEEIYLHQ-AWEZNQCLSA-N 1 0 309.410 2.522 20 5 DFBDRO Cc1cc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000153782165 426405207 /nfs/dbraw/zinc/40/52/07/426405207.db2.gz FRPRXJMTJMXABT-LBPRGKRZSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000176240036 426363552 /nfs/dbraw/zinc/36/35/52/426363552.db2.gz POBAEQZCJCHVFG-LBPRGKRZSA-N 1 0 321.406 2.566 20 5 DFBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176261746 426364222 /nfs/dbraw/zinc/36/42/22/426364222.db2.gz LCYHOYQBELQKKV-LLVKDONJSA-N 1 0 323.422 2.812 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000122248332 426365199 /nfs/dbraw/zinc/36/51/99/426365199.db2.gz YNVGSPDVBJLLLS-GFCCVEGCSA-N 1 0 313.357 2.853 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153770993 426405958 /nfs/dbraw/zinc/40/59/58/426405958.db2.gz XOJJHWFEBRQBOT-KYOSRNDESA-N 1 0 308.378 2.948 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228992 426377123 /nfs/dbraw/zinc/37/71/23/426377123.db2.gz XESQUOYCXARSTK-ZFWWWQNUSA-N 1 0 321.421 2.522 20 5 DFBDRO C[C@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000122508288 426379020 /nfs/dbraw/zinc/37/90/20/426379020.db2.gz LJJKMJYGIGAQBC-STQMWFEESA-N 1 0 305.378 2.901 20 5 DFBDRO CCOCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123023453 426408584 /nfs/dbraw/zinc/40/85/84/426408584.db2.gz VBWHRWRTSUZNKF-UHFFFAOYSA-N 1 0 317.183 2.826 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000153829616 426409168 /nfs/dbraw/zinc/40/91/68/426409168.db2.gz SVHSEMFTVKFSKZ-ZYHUDNBSSA-N 1 0 312.801 2.810 20 5 DFBDRO CC(C)[NH2+]C1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000177046507 426439207 /nfs/dbraw/zinc/43/92/07/426439207.db2.gz CWRVVUOKMQJHFM-UHFFFAOYSA-N 1 0 318.377 2.698 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000340860412 269023570 /nfs/dbraw/zinc/02/35/70/269023570.db2.gz SEUBFOXHHDNFQI-LBPRGKRZSA-N 1 0 309.414 2.652 20 5 DFBDRO Cc1cc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000341059790 269036367 /nfs/dbraw/zinc/03/63/67/269036367.db2.gz MLDIQMIMQOFFIU-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000341063218 269036831 /nfs/dbraw/zinc/03/68/31/269036831.db2.gz DXRRAWQVVROMHL-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000177246385 426459384 /nfs/dbraw/zinc/45/93/84/426459384.db2.gz IOXSARMQBMWPDP-HIFRSBDPSA-N 1 0 318.377 2.685 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469038 /nfs/dbraw/zinc/46/90/38/426469038.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410258 426471579 /nfs/dbraw/zinc/47/15/79/426471579.db2.gz CYLSPINEKLKUSF-NEPJUHHUSA-N 1 0 323.418 2.521 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000177464282 426481660 /nfs/dbraw/zinc/48/16/60/426481660.db2.gz XCZYNUZLRDCYCR-UNNWNWIUSA-N 1 0 317.389 2.597 20 5 DFBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186378047 426517151 /nfs/dbraw/zinc/51/71/51/426517151.db2.gz PHRLUOABKWULIR-ULQDDVLXSA-N 1 0 322.405 2.812 20 5 DFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000272472362 426534501 /nfs/dbraw/zinc/53/45/01/426534501.db2.gz IKAIIGVTPUDKOX-GFCCVEGCSA-N 1 0 308.378 2.847 20 5 DFBDRO Cc1cccc(NC[C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)[nH+]1 ZINC000195513664 426535143 /nfs/dbraw/zinc/53/51/43/426535143.db2.gz NVQSZYUWEAYITQ-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO CN(C(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000177525066 426492054 /nfs/dbraw/zinc/49/20/54/426492054.db2.gz IFDXSWBBXQUGEV-OKILXGFUSA-N 1 0 317.389 2.680 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177533803 426493059 /nfs/dbraw/zinc/49/30/59/426493059.db2.gz OGUJFHJDWOZXGB-QWHCGFSZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177559236 426494868 /nfs/dbraw/zinc/49/48/68/426494868.db2.gz LVQBCQRGAYIOKW-QWRGUYRKSA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186315571 426505026 /nfs/dbraw/zinc/50/50/26/426505026.db2.gz PSSKITUUNKUUBB-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000280413705 426570019 /nfs/dbraw/zinc/57/00/19/426570019.db2.gz YRUDELPRTVFYEW-KRWDZBQOSA-N 1 0 320.389 2.673 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000273020373 426576562 /nfs/dbraw/zinc/57/65/62/426576562.db2.gz DMLZGUQWNPMRNF-AWEZNQCLSA-N 1 0 320.389 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc1 ZINC000280445725 426576744 /nfs/dbraw/zinc/57/67/44/426576744.db2.gz KTXKAINTSZCEBW-IYBDPMFKSA-N 1 0 324.384 2.558 20 5 DFBDRO C[C@H](CC[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000222087369 426581986 /nfs/dbraw/zinc/58/19/86/426581986.db2.gz ISKGULFODFZWKP-GFCCVEGCSA-N 1 0 323.393 2.988 20 5 DFBDRO CN(CC[NH+](C)C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000289141823 426590999 /nfs/dbraw/zinc/59/09/99/426590999.db2.gz AIORSXMTGTXGNR-UHFFFAOYSA-N 1 0 320.418 2.712 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000273164883 426605442 /nfs/dbraw/zinc/60/54/42/426605442.db2.gz UXBBJUSMYDHSIS-KRWDZBQOSA-N 1 0 314.385 2.987 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000272562074 426558495 /nfs/dbraw/zinc/55/84/95/426558495.db2.gz LWKQEKPYFWSOMT-OLZOCXBDSA-N 1 0 308.378 2.585 20 5 DFBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000186598297 426561536 /nfs/dbraw/zinc/56/15/36/426561536.db2.gz ASZCHIGAPHXIEH-WBVHZDCISA-N 1 0 322.405 2.559 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000272578166 426562314 /nfs/dbraw/zinc/56/23/14/426562314.db2.gz UUWJFNXKWKZZNM-GFCCVEGCSA-N 1 0 319.405 2.964 20 5 DFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000272571722 426562678 /nfs/dbraw/zinc/56/26/78/426562678.db2.gz TZVPKNHJTYUQJN-LBPRGKRZSA-N 1 0 308.378 2.847 20 5 DFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178469317 426634771 /nfs/dbraw/zinc/63/47/71/426634771.db2.gz QIGIQTZQRXAMMM-VXGBXAGGSA-N 1 0 319.386 2.809 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC=C(C)C1 ZINC000280728190 426644427 /nfs/dbraw/zinc/64/44/27/426644427.db2.gz GPAXACLDROOINH-UHFFFAOYSA-N 1 0 303.362 2.884 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000280763708 426651751 /nfs/dbraw/zinc/65/17/51/426651751.db2.gz RAEYHJJZFWZABC-ZDUSSCGKSA-N 1 0 319.405 2.966 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NC2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000236575868 426663347 /nfs/dbraw/zinc/66/33/47/426663347.db2.gz ZPCWGVLRVVLSRL-UHFFFAOYSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273487917 426672922 /nfs/dbraw/zinc/67/29/22/426672922.db2.gz RSNALWKWDPUZCT-JTQLQIEISA-N 1 0 312.345 2.586 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273498016 426675461 /nfs/dbraw/zinc/67/54/61/426675461.db2.gz UNIGUHDIKSPWEA-UHFFFAOYSA-N 1 0 324.356 2.728 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686211 426676128 /nfs/dbraw/zinc/67/61/28/426676128.db2.gz AXUVQYLOHXRVTK-UKRRQHHQSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178692129 426677544 /nfs/dbraw/zinc/67/75/44/426677544.db2.gz KMIDKJYSDFKBDR-AVGNSLFASA-N 1 0 307.394 2.857 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)cc1 ZINC000280933359 426689560 /nfs/dbraw/zinc/68/95/60/426689560.db2.gz HHHQPGDASSDNBD-KRWDZBQOSA-N 1 0 313.357 2.781 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000290086818 426689852 /nfs/dbraw/zinc/68/98/52/426689852.db2.gz WMUKFWFRFZCFLX-NOLJZWGESA-N 1 0 319.405 2.715 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000273667204 426705334 /nfs/dbraw/zinc/70/53/34/426705334.db2.gz XCVPQAGRNKBOHK-GFCCVEGCSA-N 1 0 319.390 2.695 20 5 DFBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000290217680 426718771 /nfs/dbraw/zinc/71/87/71/426718771.db2.gz WUOHATBWCQSALZ-LBPRGKRZSA-N 1 0 303.362 2.895 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273600391 426694219 /nfs/dbraw/zinc/69/42/19/426694219.db2.gz JHRCEOBWORYZBH-STQMWFEESA-N 1 0 307.398 2.555 20 5 DFBDRO Cc1c(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000273597817 426694616 /nfs/dbraw/zinc/69/46/16/426694616.db2.gz UPNOVIONLOUXSW-HNNXBMFYSA-N 1 0 303.362 2.716 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000281801028 426768960 /nfs/dbraw/zinc/76/89/60/426768960.db2.gz SZPYWLZFGJILJT-JXMROGBWSA-N 1 0 317.389 2.552 20 5 DFBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1ccccc1 ZINC000266887684 426789712 /nfs/dbraw/zinc/78/97/12/426789712.db2.gz CQCQFQHKEGTTLV-CQSZACIVSA-N 1 0 318.377 2.501 20 5 DFBDRO CSc1cccc(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000188125433 426723900 /nfs/dbraw/zinc/72/39/00/426723900.db2.gz UTAHDNDCLGDXPW-SNVBAGLBSA-N 1 0 323.418 2.529 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245478576 426742598 /nfs/dbraw/zinc/74/25/98/426742598.db2.gz VPGBINCBNHFROG-ZFWWWQNUSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000281700797 426748355 /nfs/dbraw/zinc/74/83/55/426748355.db2.gz SSWWYFAIQMPYPT-OLZOCXBDSA-N 1 0 305.378 2.565 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000266929622 426798907 /nfs/dbraw/zinc/79/89/07/426798907.db2.gz LXJKUHFMKVUQLS-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179551149 426800337 /nfs/dbraw/zinc/80/03/37/426800337.db2.gz BQKKZHWMRIQKIU-CQSZACIVSA-N 1 0 319.405 2.734 20 5 DFBDRO C[C@@H]1CN(C)CC[C@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595587 426801411 /nfs/dbraw/zinc/80/14/11/426801411.db2.gz VPRBYZGIFIOTLB-UVMHCMFPSA-N 1 0 303.406 2.880 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000282026290 426815780 /nfs/dbraw/zinc/81/57/80/426815780.db2.gz KPVCGCICVGWOTF-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000282026293 426816604 /nfs/dbraw/zinc/81/66/04/426816604.db2.gz KPVCGCICVGWOTF-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282040641 426817665 /nfs/dbraw/zinc/81/76/65/426817665.db2.gz LLZGYVZUMVEKRD-INIZCTEOSA-N 1 0 320.389 2.913 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000267100185 426823766 /nfs/dbraw/zinc/82/37/66/426823766.db2.gz SZSRXDXDKUAAGL-CQSZACIVSA-N 1 0 304.325 2.768 20 5 DFBDRO COc1cc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])cc1O ZINC000282145137 426837589 /nfs/dbraw/zinc/83/75/89/426837589.db2.gz HGOLAILWENNRIV-GHMZBOCLSA-N 1 0 324.377 2.602 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000267185404 426838811 /nfs/dbraw/zinc/83/88/11/426838811.db2.gz CIUORKBXZZINBW-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CC)cc1[N+](=O)[O-] ZINC000189404855 426851137 /nfs/dbraw/zinc/85/11/37/426851137.db2.gz SKMYGWUCZPZBKI-NEPJUHHUSA-N 1 0 323.393 2.511 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000266900328 426792971 /nfs/dbraw/zinc/79/29/71/426792971.db2.gz HZDUQIJSVLKTMX-UHFFFAOYSA-N 1 0 319.361 2.803 20 5 DFBDRO CC(C)c1ccc(C[N@H+](C)CC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000188830254 426793387 /nfs/dbraw/zinc/79/33/87/426793387.db2.gz ZPMONMGGJHNUDK-UHFFFAOYSA-N 1 0 322.405 2.692 20 5 DFBDRO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000266917974 426796759 /nfs/dbraw/zinc/79/67/59/426796759.db2.gz HDBZJMJWNQQYFC-GFCCVEGCSA-N 1 0 305.378 2.678 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246950742 426882724 /nfs/dbraw/zinc/88/27/24/426882724.db2.gz LVYXRWHHYYBOIY-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC1(C)CN(CCNc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000337620812 426884202 /nfs/dbraw/zinc/88/42/02/426884202.db2.gz AGAZCVBRAIHHJA-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)CC(F)(F)F)C2CC2)c1 ZINC000189577782 426895259 /nfs/dbraw/zinc/89/52/59/426895259.db2.gz NEJFGDZXWACOKJ-ZDUSSCGKSA-N 1 0 318.295 2.873 20 5 DFBDRO CCC[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415206 426907371 /nfs/dbraw/zinc/90/73/71/426907371.db2.gz IVXCKOMCAJPJLS-ZIAGYGMSSA-N 1 0 321.421 2.762 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247528285 426947448 /nfs/dbraw/zinc/94/74/48/426947448.db2.gz ZPFCPGNUKPUGPS-AGIUHOORSA-N 1 0 303.362 2.654 20 5 DFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]12 ZINC000320020265 426963198 /nfs/dbraw/zinc/96/31/98/426963198.db2.gz UPIOKNWCIKMROL-PTOFAABTSA-N 1 0 315.295 2.787 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248342322 426990915 /nfs/dbraw/zinc/99/09/15/426990915.db2.gz JMKGHPNGYLRGID-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268158124 426930507 /nfs/dbraw/zinc/93/05/07/426930507.db2.gz OACANTCUCLXCIC-MEBBXXQBSA-N 1 0 303.362 2.692 20 5 DFBDRO CCCC(=O)N[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283349486 426997847 /nfs/dbraw/zinc/99/78/47/426997847.db2.gz BGIXBDRTEWDCFV-CYBMUJFWSA-N 1 0 323.368 2.615 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000248456086 427005297 /nfs/dbraw/zinc/00/52/97/427005297.db2.gz LIRJVLAPYZZZIL-GJZGRUSLSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182215325 427029325 /nfs/dbraw/zinc/02/93/25/427029325.db2.gz XBCGGYTZDIMUIM-ZDUSSCGKSA-N 1 0 319.405 2.846 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000276384782 427053280 /nfs/dbraw/zinc/05/32/80/427053280.db2.gz DTPJZCSXRDIDIN-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000276436023 427067042 /nfs/dbraw/zinc/06/70/42/427067042.db2.gz QPGGMAFKUPJAGP-RWMBFGLXSA-N 1 0 306.362 2.787 20 5 DFBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H](C)CO ZINC000292127057 427102028 /nfs/dbraw/zinc/10/20/28/427102028.db2.gz IJNMMGCVLGUAJY-SECBINFHSA-N 1 0 317.183 2.560 20 5 DFBDRO CC(C)C[NH+]1CCC(N[C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000283984533 427111390 /nfs/dbraw/zinc/11/13/90/427111390.db2.gz HAUJFHZARMLBII-CYBMUJFWSA-N 1 0 320.437 2.948 20 5 DFBDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182625345 427111578 /nfs/dbraw/zinc/11/15/78/427111578.db2.gz WKCFPJYAZMQDAL-CYBMUJFWSA-N 1 0 318.377 2.929 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276603118 427112953 /nfs/dbraw/zinc/11/29/53/427112953.db2.gz KUBBFPDHKYRJHR-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000292164618 427115373 /nfs/dbraw/zinc/11/53/73/427115373.db2.gz OZXNXXTVEPDHLS-MRXNPFEDSA-N 1 0 304.390 2.886 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000182663901 427119038 /nfs/dbraw/zinc/11/90/38/427119038.db2.gz CJHUILIIFIVVJG-AWEZNQCLSA-N 1 0 303.406 2.992 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284036211 427121153 /nfs/dbraw/zinc/12/11/53/427121153.db2.gz JOJYFQJLSVUPCQ-YMTOWFKASA-N 1 0 307.375 2.623 20 5 DFBDRO C[C@H]1CCSCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276801823 427123429 /nfs/dbraw/zinc/12/34/29/427123429.db2.gz MPVZFPUCQJGJHB-NSHDSACASA-N 1 0 324.402 2.789 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182708854 427130043 /nfs/dbraw/zinc/13/00/43/427130043.db2.gz DQXXAPMTGGXZKG-HIFRSBDPSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284098051 427132220 /nfs/dbraw/zinc/13/22/20/427132220.db2.gz MQRLYEOOVAOLKF-YVEFUNNKSA-N 1 0 315.373 2.870 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000292212446 427134061 /nfs/dbraw/zinc/13/40/61/427134061.db2.gz ZCIKICWJSMJRMK-GXTWGEPZSA-N 1 0 305.378 2.613 20 5 DFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182739260 427134945 /nfs/dbraw/zinc/13/49/45/427134945.db2.gz VKDIVQYTNQNOKR-OLZOCXBDSA-N 1 0 306.362 2.849 20 5 DFBDRO Cc1nccn1CCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284153537 427146826 /nfs/dbraw/zinc/14/68/26/427146826.db2.gz PJGODASRLUFYKL-LBPRGKRZSA-N 1 0 317.393 2.813 20 5 DFBDRO CCn1ccnc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000296316948 427146915 /nfs/dbraw/zinc/14/69/15/427146915.db2.gz GQXBQFRUEFOPFI-ZDUSSCGKSA-N 1 0 302.378 2.922 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000250115282 427155390 /nfs/dbraw/zinc/15/53/90/427155390.db2.gz PCYCUGHJHOBHBE-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000171980340 271108196 /nfs/dbraw/zinc/10/81/96/271108196.db2.gz CVMSUSPJGCFYLM-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174852787 271141122 /nfs/dbraw/zinc/14/11/22/271141122.db2.gz ZDUXOMVDYHCDBW-SNVBAGLBSA-N 1 0 309.395 2.558 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000175036719 271145379 /nfs/dbraw/zinc/14/53/79/271145379.db2.gz OKRUTAYZFHTYCP-HZPDHXFCSA-N 1 0 303.406 2.962 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189860181 271206783 /nfs/dbraw/zinc/20/67/83/271206783.db2.gz XRXMUPYBYPPGHD-NWDGAFQWSA-N 1 0 306.284 2.949 20 5 DFBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481755 271295942 /nfs/dbraw/zinc/29/59/42/271295942.db2.gz FXLGPDDCBJIEJN-UKRRQHHQSA-N 1 0 307.394 2.657 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000280912391 271327011 /nfs/dbraw/zinc/32/70/11/271327011.db2.gz PEACEWFXSZJJOH-AEGPPILISA-N 1 0 320.389 2.705 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000280912411 271327221 /nfs/dbraw/zinc/32/72/21/271327221.db2.gz PEACEWFXSZJJOH-SNPRPXQTSA-N 1 0 320.389 2.705 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000190974680 427217501 /nfs/dbraw/zinc/21/75/01/427217501.db2.gz ODNSWVXWMLFAHB-UHFFFAOYSA-N 1 0 323.422 2.616 20 5 DFBDRO CC(C)SCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000338255283 427217567 /nfs/dbraw/zinc/21/75/67/427217567.db2.gz ZBEDLANOKWSSCV-UHFFFAOYSA-N 1 0 309.435 2.858 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1 ZINC000292437563 427182876 /nfs/dbraw/zinc/18/28/76/427182876.db2.gz YBWCPCMOUCBKIC-GFCCVEGCSA-N 1 0 304.394 2.609 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277388802 427188884 /nfs/dbraw/zinc/18/88/84/427188884.db2.gz DAMCNWHGFDWRRE-CYBMUJFWSA-N 1 0 306.366 2.543 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000252696021 427192937 /nfs/dbraw/zinc/19/29/37/427192937.db2.gz LQZNPWZWNXHMGT-KKUMJFAQSA-N 1 0 321.421 2.663 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000292575542 427193941 /nfs/dbraw/zinc/19/39/41/427193941.db2.gz RTCUERWIEHDTBW-OLZOCXBDSA-N 1 0 322.409 2.684 20 5 DFBDRO Cc1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440632 427198266 /nfs/dbraw/zinc/19/82/66/427198266.db2.gz SMPXSYBHOYAFCL-UKRRQHHQSA-N 1 0 316.405 2.751 20 5 DFBDRO CCC[C@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000285616866 427287567 /nfs/dbraw/zinc/28/75/67/427287567.db2.gz QKBFHBXRVFCODJ-HNNXBMFYSA-N 1 0 312.341 2.791 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)COCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285409716 427223672 /nfs/dbraw/zinc/22/36/72/427223672.db2.gz XRCHIQRONBVFCU-DTWKUNHWSA-N 1 0 321.299 2.795 20 5 DFBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629409 427234622 /nfs/dbraw/zinc/23/46/22/427234622.db2.gz DVSJTABNYZNKSJ-AWEZNQCLSA-N 1 0 321.764 2.809 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H](O)Cc1ccccc1 ZINC000293168653 427235026 /nfs/dbraw/zinc/23/50/26/427235026.db2.gz CUEOADBEMCOIAQ-HNNXBMFYSA-N 1 0 318.348 2.769 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296791950 427234984 /nfs/dbraw/zinc/23/49/84/427234984.db2.gz QQGJYYGEIKRRPX-TZMCWYRMSA-N 1 0 321.377 2.737 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 ZINC000296794465 427236382 /nfs/dbraw/zinc/23/63/82/427236382.db2.gz SZFZXMYYTWVUEQ-UWVGGRQHSA-N 1 0 320.374 2.729 20 5 DFBDRO C[C@@H]1CC[C@](CO)(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454127 427237468 /nfs/dbraw/zinc/23/74/68/427237468.db2.gz YIKLJZHNHKGVHV-BMIGLBTASA-N 1 0 314.332 2.856 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c(F)c1 ZINC000330453585 427243049 /nfs/dbraw/zinc/24/30/49/427243049.db2.gz LLZGXKAZDXUHGA-CYBMUJFWSA-N 1 0 308.353 2.982 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000293225622 427251860 /nfs/dbraw/zinc/25/18/60/427251860.db2.gz YYYRDIPJVBANFT-BLLLJJGKSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1cccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269719328 427260904 /nfs/dbraw/zinc/26/09/04/427260904.db2.gz SXYNURSEIHUECP-QGZVFWFLSA-N 1 0 316.357 2.769 20 5 DFBDRO COC[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000183442455 427268598 /nfs/dbraw/zinc/26/85/98/427268598.db2.gz GFHCULOBBWWLKU-OAHLLOKOSA-N 1 0 317.345 2.764 20 5 DFBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000285547774 427270351 /nfs/dbraw/zinc/27/03/51/427270351.db2.gz LZZSGMWPGDPLOE-CQSZACIVSA-N 1 0 309.322 2.552 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000269758882 427272501 /nfs/dbraw/zinc/27/25/01/427272501.db2.gz ILWWKSQDAFYYDD-ZIAGYGMSSA-N 1 0 315.377 2.660 20 5 DFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000277696388 427287346 /nfs/dbraw/zinc/28/73/46/427287346.db2.gz VWCBAIGAYPFARC-HNNXBMFYSA-N 1 0 318.377 2.733 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000269888600 427300839 /nfs/dbraw/zinc/30/08/39/427300839.db2.gz BVRYZDPIBVEMKC-APHBMKBZSA-N 1 0 318.373 2.651 20 5 DFBDRO CCOCC(C)(C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000293417202 427318214 /nfs/dbraw/zinc/31/82/14/427318214.db2.gz ZNRHJKBSHABIPN-UHFFFAOYSA-N 1 0 300.330 2.647 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000293576056 427370321 /nfs/dbraw/zinc/37/03/21/427370321.db2.gz NIOQRXWICDQAFN-PRHODGIISA-N 1 0 304.268 2.881 20 5 DFBDRO Cc1c(C[N@@H+]2CCOCC3(CCOCC3)C2)cccc1[N+](=O)[O-] ZINC000184086378 427388982 /nfs/dbraw/zinc/38/89/82/427388982.db2.gz OPXZNOWOUYDRRE-UHFFFAOYSA-N 1 0 320.389 2.532 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293637215 427390228 /nfs/dbraw/zinc/39/02/28/427390228.db2.gz HWPIXBLXRYTCRM-GFCCVEGCSA-N 1 0 301.346 2.907 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000191669651 427401773 /nfs/dbraw/zinc/40/17/73/427401773.db2.gz LSXYWDAPYRPSFU-QGZVFWFLSA-N 1 0 322.405 2.976 20 5 DFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000331434395 427410571 /nfs/dbraw/zinc/41/05/71/427410571.db2.gz CPSKWHPMBPAEDA-UHFFFAOYSA-N 1 0 309.366 2.526 20 5 DFBDRO Cc1sc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1[N+](=O)[O-] ZINC000184187007 427411796 /nfs/dbraw/zinc/41/17/96/427411796.db2.gz USCVYPVKYBRKJC-UHFFFAOYSA-N 1 0 319.386 2.566 20 5 DFBDRO CO[C@@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000338717711 427453564 /nfs/dbraw/zinc/45/35/64/427453564.db2.gz NKAXCDDFCBWFAL-VIFPVBQESA-N 1 0 304.293 2.711 20 5 DFBDRO CC[N@H+](CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000338772642 427479673 /nfs/dbraw/zinc/47/96/73/427479673.db2.gz ZUPBNFKNOLAOAP-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792338 427439563 /nfs/dbraw/zinc/43/95/63/427439563.db2.gz QQZUXGOLFOFYND-MGPLVRAMSA-N 1 0 319.336 2.700 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000297747700 427444835 /nfs/dbraw/zinc/44/48/35/427444835.db2.gz UCJSLZPRWFKVLL-KFWWJZLASA-N 1 0 310.419 2.636 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]1SC ZINC000297747707 427445611 /nfs/dbraw/zinc/44/56/11/427445611.db2.gz UCJSLZPRWFKVLL-RBSFLKMASA-N 1 0 310.419 2.636 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000338797204 427494636 /nfs/dbraw/zinc/49/46/36/427494636.db2.gz XRWKQLYQZHITFD-ZIAGYGMSSA-N 1 0 305.378 2.693 20 5 DFBDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000341208910 271793320 /nfs/dbraw/zinc/79/33/20/271793320.db2.gz FTGFMFWAERXMTF-OAHLLOKOSA-N 1 0 321.421 2.529 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000184642180 427509126 /nfs/dbraw/zinc/50/91/26/427509126.db2.gz KBAZYITWFHXQAG-LLVKDONJSA-N 1 0 321.377 2.710 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279060284 427544511 /nfs/dbraw/zinc/54/45/11/427544511.db2.gz KTCZHBBGVXOXHQ-NWDGAFQWSA-N 1 0 318.295 2.830 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222199 427549504 /nfs/dbraw/zinc/54/95/04/427549504.db2.gz AUAMIMDCPDHDLY-KGLIPLIRSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454869 427615299 /nfs/dbraw/zinc/61/52/99/427615299.db2.gz GGOVBWRKPSNFLG-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(F)(F)F ZINC000271497602 427560526 /nfs/dbraw/zinc/56/05/26/427560526.db2.gz LQUWEVWEMZQXKR-GWCFXTLKSA-N 1 0 320.311 2.819 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766028 271892975 /nfs/dbraw/zinc/89/29/75/271892975.db2.gz FAOXSOWQWNURGP-DOMZBBRYSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332290758 427571173 /nfs/dbraw/zinc/57/11/73/427571173.db2.gz JIZYLFLQKZNXJB-YPMHNXCESA-N 1 0 301.350 2.654 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287339643 427583973 /nfs/dbraw/zinc/58/39/73/427583973.db2.gz VVNVIEFBSVBBDP-CJNGLKHVSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192719041 427596817 /nfs/dbraw/zinc/59/68/17/427596817.db2.gz MDUANDWTBSUZDT-WBMJQRKESA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332407078 427604370 /nfs/dbraw/zinc/60/43/70/427604370.db2.gz YTFDXCIYAALJSW-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@H](C)C1 ZINC000298494268 427630554 /nfs/dbraw/zinc/63/05/54/427630554.db2.gz LHARXVJHGIXTNT-QWRGUYRKSA-N 1 0 311.407 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287535746 427630895 /nfs/dbraw/zinc/63/08/95/427630895.db2.gz DUNODYPEXJJOIJ-YPMHNXCESA-N 1 0 318.295 2.837 20 5 DFBDRO COCCCN(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192901403 427633102 /nfs/dbraw/zinc/63/31/02/427633102.db2.gz HXQQIHBQRXRSBE-KRWDZBQOSA-N 1 0 321.421 2.530 20 5 DFBDRO COc1ccc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310528 427634863 /nfs/dbraw/zinc/63/48/63/427634863.db2.gz NAPVHGVUOURSMD-BDJLRTHQSA-N 1 0 306.362 2.603 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192963643 427643197 /nfs/dbraw/zinc/64/31/97/427643197.db2.gz KWYJFGZLFLLRKX-CJNGLKHVSA-N 1 0 317.389 2.573 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264059534 427646732 /nfs/dbraw/zinc/64/67/32/427646732.db2.gz DFJSIOQFKSATRY-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000342565688 272025422 /nfs/dbraw/zinc/02/54/22/272025422.db2.gz HNROUBHKVZGIBF-LBPRGKRZSA-N 1 0 305.334 2.737 20 5 DFBDRO COc1cc(C[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000342582202 272027640 /nfs/dbraw/zinc/02/76/40/272027640.db2.gz GIKXNFRTYQTPBY-GFCCVEGCSA-N 1 0 312.341 2.743 20 5 DFBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294991087 427669080 /nfs/dbraw/zinc/66/90/80/427669080.db2.gz QRNQNELFMVAXGG-JTQLQIEISA-N 1 0 310.785 2.564 20 5 DFBDRO CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000339086051 427669950 /nfs/dbraw/zinc/66/99/50/427669950.db2.gz VNGHWDGNISPJEV-AWEZNQCLSA-N 1 0 318.377 2.892 20 5 DFBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000343066225 272081621 /nfs/dbraw/zinc/08/16/21/272081621.db2.gz BFRRIFCPEVPSQO-QWHCGFSZSA-N 1 0 305.378 2.588 20 5 DFBDRO COc1cccc(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000185553723 427671752 /nfs/dbraw/zinc/67/17/52/427671752.db2.gz QOQFHRQBOQCFMA-ZDUSSCGKSA-N 1 0 307.394 2.993 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000343245840 272103507 /nfs/dbraw/zinc/10/35/07/272103507.db2.gz CTOOOWKCADIYCJ-ZYHUDNBSSA-N 1 0 321.381 2.771 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000343382530 272132315 /nfs/dbraw/zinc/13/23/15/272132315.db2.gz GCKDRCCAYCAVLX-RDJZCZTQSA-N 1 0 313.357 2.918 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H]1c1cccnc1 ZINC000343390300 272134320 /nfs/dbraw/zinc/13/43/20/272134320.db2.gz MGEMMFPSZKCAJO-IAGOWNOFSA-N 1 0 313.357 2.918 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000343463533 272152971 /nfs/dbraw/zinc/15/29/71/272152971.db2.gz UDJJEHJJUYZWFH-MFKMUULPSA-N 1 0 323.418 2.529 20 5 DFBDRO CCC1(CC)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343623124 272186456 /nfs/dbraw/zinc/18/64/56/272186456.db2.gz XLIGDOKUSROZCG-AWEZNQCLSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1ccccc1[C@@H]([C@@H](C)Nc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000343810704 272224673 /nfs/dbraw/zinc/22/46/73/272224673.db2.gz QXXKSZHZWYITLF-TZMCWYRMSA-N 1 0 317.393 2.740 20 5 DFBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000343892326 272233352 /nfs/dbraw/zinc/23/33/52/272233352.db2.gz YDXXXTAGQKLSGW-RVDBLKIQSA-N 1 0 320.389 2.734 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000343914692 272237181 /nfs/dbraw/zinc/23/71/81/272237181.db2.gz NXULTNGBRFEVGT-JTQLQIEISA-N 1 0 309.395 2.590 20 5 DFBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000343957234 272242983 /nfs/dbraw/zinc/24/29/83/272242983.db2.gz DUMOMAUKAPXTNH-HNNXBMFYSA-N 1 0 318.377 2.883 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344065478 272254664 /nfs/dbraw/zinc/25/46/64/272254664.db2.gz OKMJZRBIYPPDAX-CABCVRRESA-N 1 0 320.389 2.623 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344127816 272269591 /nfs/dbraw/zinc/26/95/91/272269591.db2.gz WSNXNRHNJYLOMI-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2ccccc2O)ccc1[N+](=O)[O-] ZINC000344166291 272278160 /nfs/dbraw/zinc/27/81/60/272278160.db2.gz RNBSRHJKBRQIGS-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167928 272278369 /nfs/dbraw/zinc/27/83/69/272278369.db2.gz UTPZKINNLFVFQP-ZIAGYGMSSA-N 1 0 322.405 2.703 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344243300 272295821 /nfs/dbraw/zinc/29/58/21/272295821.db2.gz BATSGQLSFUUCHN-IRXDYDNUSA-N 1 0 313.357 2.952 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000344244735 272295832 /nfs/dbraw/zinc/29/58/32/272295832.db2.gz KYCXTYFWOKHQRQ-SJORKVTESA-N 1 0 313.357 2.952 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC3(O)CCC3)o2)cc1 ZINC000344361524 272320645 /nfs/dbraw/zinc/32/06/45/272320645.db2.gz CHBRYHFFEWWUEJ-UHFFFAOYSA-N 1 0 302.330 2.859 20 5 DFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344796486 272371264 /nfs/dbraw/zinc/37/12/64/272371264.db2.gz OQQFYRYNCIEKFV-NKRQLWMJSA-N 1 0 317.389 2.502 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)[nH]c1=O ZINC000344807823 272372813 /nfs/dbraw/zinc/37/28/13/272372813.db2.gz HQLUAIJYASISLN-WDZFZDKYSA-N 1 0 314.345 2.592 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000344832218 272375808 /nfs/dbraw/zinc/37/58/08/272375808.db2.gz NKWFUDWMRRHMJI-HKBVPSITSA-N 1 0 318.295 2.901 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCO[C@@H]1CCOC1 ZINC000345045078 272398009 /nfs/dbraw/zinc/39/80/09/272398009.db2.gz STHAQZUQSNKWPE-IDKBZEPQSA-N 1 0 320.389 2.783 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1CO ZINC000339121924 427685703 /nfs/dbraw/zinc/68/57/03/427685703.db2.gz AMVDLAIOAMRXHF-MWLCHTKSSA-N 1 0 318.295 2.674 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298763456 427699442 /nfs/dbraw/zinc/69/94/42/427699442.db2.gz VPVQLPQBJVQQQW-ZFWWWQNUSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193557813 427699621 /nfs/dbraw/zinc/69/96/21/427699621.db2.gz YAXQDXKXDSWWAY-KRWDZBQOSA-N 1 0 324.421 2.839 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000287853780 427703092 /nfs/dbraw/zinc/70/30/92/427703092.db2.gz SDTRKLZTLQEPBK-CYBMUJFWSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000272340497 427714531 /nfs/dbraw/zinc/71/45/31/427714531.db2.gz WVQWXGOTWNBVOS-VHSXEESVSA-N 1 0 319.386 2.619 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000272340495 427714864 /nfs/dbraw/zinc/71/48/64/427714864.db2.gz WVQWXGOTWNBVOS-UWVGGRQHSA-N 1 0 319.386 2.619 20 5 DFBDRO COCC1=CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185833987 427717770 /nfs/dbraw/zinc/71/77/70/427717770.db2.gz LHAVDBFYUQDTCF-UHFFFAOYSA-N 1 0 306.362 2.642 20 5 DFBDRO Cc1cc(N2CC[C@@H](CCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336860766 427764302 /nfs/dbraw/zinc/76/43/02/427764302.db2.gz UVFRVKGFAQSIDQ-LBPRGKRZSA-N 1 0 301.346 2.660 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000299723089 427766464 /nfs/dbraw/zinc/76/64/64/427766464.db2.gz SWQNACUIJUCRDH-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO CCNC(=O)[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000339431388 427774501 /nfs/dbraw/zinc/77/45/01/427774501.db2.gz LWCHJJINQWZKOF-INIZCTEOSA-N 1 0 321.421 2.969 20 5 DFBDRO CC(C)C1([NH2+]CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000339516749 427787051 /nfs/dbraw/zinc/78/70/51/427787051.db2.gz IRJJUQIMFXBIRN-UHFFFAOYSA-N 1 0 319.361 2.671 20 5 DFBDRO CCCCCNC(=O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000298889189 427724379 /nfs/dbraw/zinc/72/43/79/427724379.db2.gz LAOOZGJWYHVKMO-OAHLLOKOSA-N 1 0 307.394 2.942 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000334041861 427731560 /nfs/dbraw/zinc/73/15/60/427731560.db2.gz FCINFSJZFCAUMA-JQWIXIFHSA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339209349 427732219 /nfs/dbraw/zinc/73/22/19/427732219.db2.gz NIOQRXWICDQAFN-QPUJVOFHSA-N 1 0 304.268 2.881 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NCc2ccnc(N(C)C)c2)c1 ZINC000301346493 427790474 /nfs/dbraw/zinc/79/04/74/427790474.db2.gz KPMYLMAQEUQFPN-UHFFFAOYSA-N 1 0 320.324 2.816 20 5 DFBDRO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301376211 427792203 /nfs/dbraw/zinc/79/22/03/427792203.db2.gz VXEVKNUJUIDBIF-JLJPHGGASA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301462297 427797750 /nfs/dbraw/zinc/79/77/50/427797750.db2.gz FFZXVXAYTQYRLP-JLJPHGGASA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301479979 427798391 /nfs/dbraw/zinc/79/83/91/427798391.db2.gz RHMWNXHUHIZKQE-SOUVJXGZSA-N 1 0 301.390 2.824 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C(=O)OC)c1 ZINC000301507255 427800751 /nfs/dbraw/zinc/80/07/51/427800751.db2.gz AEQMYMRYNPUVSN-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO CC1=CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000339629788 427805111 /nfs/dbraw/zinc/80/51/11/427805111.db2.gz RSPVGJDAMVFMEG-UHFFFAOYSA-N 1 0 317.345 2.545 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301573505 427806367 /nfs/dbraw/zinc/80/63/67/427806367.db2.gz LPCANPOTZLPSKZ-WDEREUQCSA-N 1 0 308.338 2.788 20 5 DFBDRO CCOc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000301590209 427807897 /nfs/dbraw/zinc/80/78/97/427807897.db2.gz QHJLKQCUFVLWGN-OCCSQVGLSA-N 1 0 305.378 2.666 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301593756 427807939 /nfs/dbraw/zinc/80/79/39/427807939.db2.gz FAAKSFAICMAKAK-ZWNOBZJWSA-N 1 0 308.338 2.644 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000301607326 427809032 /nfs/dbraw/zinc/80/90/32/427809032.db2.gz NSXLJZFQRYIFJF-NOZJJQNGSA-N 1 0 317.311 3.000 20 5 DFBDRO Cc1nc(NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000301641909 427811607 /nfs/dbraw/zinc/81/16/07/427811607.db2.gz MOMQSVLLZFNLBZ-UHFFFAOYSA-N 1 0 300.362 2.842 20 5 DFBDRO COc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000301646120 427812059 /nfs/dbraw/zinc/81/20/59/427812059.db2.gz PKVRPCZGDVNOPS-GXFFZTMASA-N 1 0 311.357 2.883 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)cc1[N+](=O)[O-] ZINC000339725098 427818594 /nfs/dbraw/zinc/81/85/94/427818594.db2.gz DYUJGWLYIKSFGH-MRXNPFEDSA-N 1 0 322.405 2.880 20 5 DFBDRO CC1(C)CN=C(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)S1 ZINC000301735510 427820046 /nfs/dbraw/zinc/82/00/46/427820046.db2.gz HEVIFUKZFVUCJT-UHFFFAOYSA-N 1 0 320.418 2.598 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CCC[NH+]1CCCC1 ZINC000337239506 427821218 /nfs/dbraw/zinc/82/12/18/427821218.db2.gz ZRGGREPDCLUAFZ-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccncc2)c1 ZINC000337254932 427824844 /nfs/dbraw/zinc/82/48/44/427824844.db2.gz MOHHYNMEZGYUDI-SJORKVTESA-N 1 0 313.357 3.000 20 5 DFBDRO COc1cc(NCC[N@@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301899340 427835937 /nfs/dbraw/zinc/83/59/37/427835937.db2.gz XVSFQOPESFQKHF-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359419048 427844025 /nfs/dbraw/zinc/84/40/25/427844025.db2.gz LJIGOSQSYJERPI-OKILXGFUSA-N 1 0 319.405 2.516 20 5 DFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302758629 427864890 /nfs/dbraw/zinc/86/48/90/427864890.db2.gz JKDMSQMOKMZHPS-GFCCVEGCSA-N 1 0 313.785 2.771 20 5 DFBDRO COC(=O)COc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355744847 427873159 /nfs/dbraw/zinc/87/31/59/427873159.db2.gz ZDPKUDGBYCUZNS-TXEJJXNPSA-N 1 0 322.361 2.519 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000302819427 427876659 /nfs/dbraw/zinc/87/66/59/427876659.db2.gz OGKUCQADKSMLHU-LBPRGKRZSA-N 1 0 323.368 2.647 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000355787202 427895053 /nfs/dbraw/zinc/89/50/53/427895053.db2.gz UIIOMPCMXHKNME-KRWDZBQOSA-N 1 0 320.389 2.866 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000349961369 427905877 /nfs/dbraw/zinc/90/58/77/427905877.db2.gz GPSLRICKTXYKAJ-QWHCGFSZSA-N 1 0 318.295 2.791 20 5 DFBDRO COC(=O)c1ccc(OCC[C@@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000340667107 427921355 /nfs/dbraw/zinc/92/13/55/427921355.db2.gz MMUWEVFNMAUMED-ZDUSSCGKSA-N 1 0 322.361 2.635 20 5 DFBDRO COC(=O)c1ccc(OCC[C@H]2CCCC[N@@H+]2C)c([N+](=O)[O-])c1 ZINC000340667106 427921434 /nfs/dbraw/zinc/92/14/34/427921434.db2.gz MMUWEVFNMAUMED-CYBMUJFWSA-N 1 0 322.361 2.635 20 5 DFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000345822517 427921864 /nfs/dbraw/zinc/92/18/64/427921864.db2.gz VFSKSGADEGOKIK-HUUCEWRRSA-N 1 0 319.405 2.723 20 5 DFBDRO CCN(C)c1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000359683996 427971171 /nfs/dbraw/zinc/97/11/71/427971171.db2.gz JUINYBXZJUOXBS-UHFFFAOYSA-N 1 0 314.389 2.778 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000341055063 427985494 /nfs/dbraw/zinc/98/54/94/427985494.db2.gz HXROKKJDCIBFEI-CHWSQXEVSA-N 1 0 305.378 2.588 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413197433 427988057 /nfs/dbraw/zinc/98/80/57/427988057.db2.gz GRBOZNIFJSXWST-GFCCVEGCSA-N 1 0 310.373 2.909 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341102917 427990484 /nfs/dbraw/zinc/99/04/84/427990484.db2.gz MHOSHFXUTIUXSA-QWHCGFSZSA-N 1 0 322.409 2.685 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345876233 427936884 /nfs/dbraw/zinc/93/68/84/427936884.db2.gz DHIKFLXJJZGUMX-VXGBXAGGSA-N 1 0 306.366 2.541 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC(C)(C)C[NH+]1CCCC1 ZINC000340925980 427952297 /nfs/dbraw/zinc/95/22/97/427952297.db2.gz ONJFCMRAEARWQG-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO C[N@H+](CCCCNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000413347862 428028242 /nfs/dbraw/zinc/02/82/42/428028242.db2.gz MCJDVAYNNAFHPU-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO O=C([C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1)N1CCCC1 ZINC000369712775 428041234 /nfs/dbraw/zinc/04/12/34/428041234.db2.gz PIJICOBEQAQYEX-OLZOCXBDSA-N 1 0 323.418 2.537 20 5 DFBDRO Cc1c(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000369766433 428055529 /nfs/dbraw/zinc/05/55/29/428055529.db2.gz LRKNOXJSVPNVFC-IAGOWNOFSA-N 1 0 303.406 2.962 20 5 DFBDRO [NH3+][C@H]1CCCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000346082792 428013592 /nfs/dbraw/zinc/01/35/92/428013592.db2.gz FPCGREACLNVPKI-LBPRGKRZSA-N 1 0 318.402 2.641 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000369936729 428093530 /nfs/dbraw/zinc/09/35/30/428093530.db2.gz MVWVCDGCTIZLIJ-HUUCEWRRSA-N 1 0 317.389 2.514 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000356285172 428106284 /nfs/dbraw/zinc/10/62/84/428106284.db2.gz VNTXLUMONCHYBT-UHFFFAOYSA-N 1 0 317.345 2.507 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000346291841 428112036 /nfs/dbraw/zinc/11/20/36/428112036.db2.gz QWXFROZNLVMUEN-KGLIPLIRSA-N 1 0 317.389 2.603 20 5 DFBDRO CCCCC[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341576212 428112316 /nfs/dbraw/zinc/11/23/16/428112316.db2.gz OZBILVQTDXYQMY-AWEZNQCLSA-N 1 0 307.394 2.801 20 5 DFBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000377388238 428118741 /nfs/dbraw/zinc/11/87/41/428118741.db2.gz DDVYRLFBZUBDDM-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@@H+]([C@@H]3C[C@H]3c3ccccc3)C2)c1 ZINC000377395599 428119704 /nfs/dbraw/zinc/11/97/04/428119704.db2.gz FSQGHIQSNYJYBJ-HYVNUMGLSA-N 1 0 312.373 2.984 20 5 DFBDRO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046819 428120684 /nfs/dbraw/zinc/12/06/84/428120684.db2.gz TZUOCQKBEGAZDK-QWRGUYRKSA-N 1 0 306.391 2.768 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358226 428135586 /nfs/dbraw/zinc/13/55/86/428135586.db2.gz XBBOGBAEXUUXLF-KGLIPLIRSA-N 1 0 314.389 3.428 20 5 DFBDRO COc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000352535074 428138032 /nfs/dbraw/zinc/13/80/32/428138032.db2.gz MCQOJWOSYIAZKT-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO COc1ccc(C[NH+]2CCC(c3cn[nH]c3)CC2)cc1[N+](=O)[O-] ZINC000377498930 428140598 /nfs/dbraw/zinc/14/05/98/428140598.db2.gz YJPAKWLJNCADFI-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2=O)CC1 ZINC000370087232 428130351 /nfs/dbraw/zinc/13/03/51/428130351.db2.gz PPDDZGNZDHNTMW-LBPRGKRZSA-N 1 0 304.346 2.685 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000352693583 428206990 /nfs/dbraw/zinc/20/69/90/428206990.db2.gz SYNICTHIMNTSST-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCCC1CCOCC1)CCO2 ZINC000352712335 428216354 /nfs/dbraw/zinc/21/63/54/428216354.db2.gz ZJQAXJRUMYJJRJ-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO CCn1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000414205659 428233965 /nfs/dbraw/zinc/23/39/65/428233965.db2.gz HOJKTUHXGANJEY-MRXNPFEDSA-N 1 0 314.389 2.922 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000352766842 428236795 /nfs/dbraw/zinc/23/67/95/428236795.db2.gz DDYVMLCZEPPXDC-GUYCJALGSA-N 1 0 317.389 2.566 20 5 DFBDRO CC(C)([NH2+]C[C@H](O)c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000295195525 273506462 /nfs/dbraw/zinc/50/64/62/273506462.db2.gz LZMZFOTVIFRORP-HNNXBMFYSA-N 1 0 301.346 2.548 20 5 DFBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000360355546 428265113 /nfs/dbraw/zinc/26/51/13/428265113.db2.gz PUCDAJQKRBMOPO-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000360356597 428266279 /nfs/dbraw/zinc/26/62/79/428266279.db2.gz WXWFJBLNEXWGFR-HOTGVXAUSA-N 1 0 317.389 2.602 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC000346671893 428266855 /nfs/dbraw/zinc/26/68/55/428266855.db2.gz WCGJCEWEBRTIAO-OUCADQQQSA-N 1 0 306.362 2.848 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954037 428268468 /nfs/dbraw/zinc/26/84/68/428268468.db2.gz MZYXAKYOKKMUCP-DGCLKSJQSA-N 1 0 306.391 2.731 20 5 DFBDRO CCN1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353947 428268744 /nfs/dbraw/zinc/26/87/44/428268744.db2.gz ZRFZQDOAXXOVKL-HOTGVXAUSA-N 1 0 303.406 2.600 20 5 DFBDRO CC(C)[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291726185 273533126 /nfs/dbraw/zinc/53/31/26/273533126.db2.gz XFUMDAAHCPBKEP-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352879323 428291736 /nfs/dbraw/zinc/29/17/36/428291736.db2.gz WCZYVLFUDXRXHC-WCQYABFASA-N 1 0 306.366 2.507 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000352884265 428294496 /nfs/dbraw/zinc/29/44/96/428294496.db2.gz RORDGAXOKUZWJD-OLZOCXBDSA-N 1 0 320.393 2.850 20 5 DFBDRO O=[N+]([O-])c1cnccc1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000341934877 428254072 /nfs/dbraw/zinc/25/40/72/428254072.db2.gz YXLVQQUOELOPSX-UHFFFAOYSA-N 1 0 312.373 2.794 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000342222479 428355201 /nfs/dbraw/zinc/35/52/01/428355201.db2.gz FIDHZXMYRBDPTF-XBMZPMPPSA-N 1 0 312.369 2.801 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414497243 428322698 /nfs/dbraw/zinc/32/26/98/428322698.db2.gz FOEGJCNRNPRNHP-KOLCDFICSA-N 1 0 312.391 2.596 20 5 DFBDRO COc1cc(C[NH2+]CCC2(F)CCC2)c([N+](=O)[O-])cc1OC ZINC000342206646 428348606 /nfs/dbraw/zinc/34/86/06/428348606.db2.gz JJRNUWCLNLKYGM-UHFFFAOYSA-N 1 0 312.341 2.984 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCC3)no2)c1 ZINC000414619713 428354813 /nfs/dbraw/zinc/35/48/13/428354813.db2.gz OMEUYWGNOFNQLD-UHFFFAOYSA-N 1 0 318.333 2.772 20 5 DFBDRO Cc1c(C(=O)N2CCCC23CC[NH+](C)CC3)cccc1[N+](=O)[O-] ZINC000371411724 428388470 /nfs/dbraw/zinc/38/84/70/428388470.db2.gz QJSRQCYQBBAMKD-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765946 428398244 /nfs/dbraw/zinc/39/82/44/428398244.db2.gz GSABIACGGYCOMN-RISCZKNCSA-N 1 0 301.346 2.776 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773247 428399623 /nfs/dbraw/zinc/39/96/23/428399623.db2.gz SIJQCOTZVUCVAH-IAQYHMDHSA-N 1 0 301.346 2.776 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000353145411 428402974 /nfs/dbraw/zinc/40/29/74/428402974.db2.gz WEAQBFPVWYXQDL-INIZCTEOSA-N 1 0 321.421 2.958 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000342225277 428358077 /nfs/dbraw/zinc/35/80/77/428358077.db2.gz NMVLHXZVFCRDKJ-QGZVFWFLSA-N 1 0 300.358 2.635 20 5 DFBDRO C[NH+]1CCC(CC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000346888225 428359318 /nfs/dbraw/zinc/35/93/18/428359318.db2.gz GFDHBFLIQFOIJZ-UHFFFAOYSA-N 1 0 319.405 2.678 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000342232950 428360749 /nfs/dbraw/zinc/36/07/49/428360749.db2.gz ONVNNLVVKQGRTL-QGZVFWFLSA-N 1 0 318.348 2.774 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000414654810 428364706 /nfs/dbraw/zinc/36/47/06/428364706.db2.gz GPTMFURJBOWOTA-CYBMUJFWSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000414649921 428365559 /nfs/dbraw/zinc/36/55/59/428365559.db2.gz APAGWPCWXPHRMX-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO CC(C)[NH+](CCSCc1c([N+](=O)[O-])ncn1C)C(C)C ZINC000342266098 428375120 /nfs/dbraw/zinc/37/51/20/428375120.db2.gz NWQAVOCSNACNPM-UHFFFAOYSA-N 1 0 300.428 2.680 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357073195 428379434 /nfs/dbraw/zinc/37/94/34/428379434.db2.gz DTNRKJSQAHHVKQ-ZDUSSCGKSA-N 1 0 307.369 2.555 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000414715037 428383922 /nfs/dbraw/zinc/38/39/22/428383922.db2.gz WBITXIRKVDFGBC-AAEUAGOBSA-N 1 0 306.366 2.542 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNC1 ZINC000414866145 428439035 /nfs/dbraw/zinc/43/90/35/428439035.db2.gz MFKVBBROYQHTQN-IMJJTQAJSA-N 1 0 303.406 2.648 20 5 DFBDRO [NH3+][C@@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414895923 428449890 /nfs/dbraw/zinc/44/98/90/428449890.db2.gz NWBJSUFNMOSGDZ-HNNXBMFYSA-N 1 0 301.346 2.682 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000360855673 428465462 /nfs/dbraw/zinc/46/54/62/428465462.db2.gz FQRCFAFZYXTEGO-QWHCGFSZSA-N 1 0 300.362 2.975 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347038931 428417357 /nfs/dbraw/zinc/41/73/57/428417357.db2.gz JARFWELNOOYTDD-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cn[nH]c2)o1 ZINC000353192520 428424455 /nfs/dbraw/zinc/42/44/55/428424455.db2.gz MARBMVZQPVJNPP-UHFFFAOYSA-N 1 0 312.329 2.910 20 5 DFBDRO C[NH2+]CCNCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414831957 428426894 /nfs/dbraw/zinc/42/68/94/428426894.db2.gz QHEDJLNTARCXNP-UHFFFAOYSA-N 1 0 319.336 2.835 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000078617698 273807002 /nfs/dbraw/zinc/80/70/02/273807002.db2.gz BYOATMFICKXHDR-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287671650 273807612 /nfs/dbraw/zinc/80/76/12/273807612.db2.gz IYZWVPYDPNWHDY-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)s1 ZINC000415020983 428490720 /nfs/dbraw/zinc/49/07/20/428490720.db2.gz BIBBRLBHBOXPHC-VIKVFOODSA-N 1 0 315.398 2.631 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000357361642 428499111 /nfs/dbraw/zinc/49/91/11/428499111.db2.gz YLNACFWNUPXYCR-IUODEOHRSA-N 1 0 324.377 2.602 20 5 DFBDRO [NH3+]CC[C@@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000415053464 428501651 /nfs/dbraw/zinc/50/16/51/428501651.db2.gz KAGWECHCPHTOQE-SNVBAGLBSA-N 1 0 311.691 2.618 20 5 DFBDRO COc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059794 428505934 /nfs/dbraw/zinc/50/59/34/428505934.db2.gz XMYVDTVCDZRANZ-LSDHHAIUSA-N 1 0 319.405 2.567 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000360960838 428509805 /nfs/dbraw/zinc/50/98/05/428509805.db2.gz NHGWLTMNDOKQBR-RYUDHWBXSA-N 1 0 309.414 2.652 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000360961108 428511046 /nfs/dbraw/zinc/51/10/46/428511046.db2.gz ORQJSUFEUKSLQO-JHJVBQTASA-N 1 0 323.441 2.898 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000357392585 428513284 /nfs/dbraw/zinc/51/32/84/428513284.db2.gz SAOTZILQUDSZOS-UHFFFAOYSA-N 1 0 319.405 2.505 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1F ZINC000415126453 428528814 /nfs/dbraw/zinc/52/88/14/428528814.db2.gz QVYISYOGFDNFJG-DOTOQJQBSA-N 1 0 315.348 2.661 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000353296473 428472807 /nfs/dbraw/zinc/47/28/07/428472807.db2.gz BUTXCHFMPMASPI-GFCCVEGCSA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414959016 428473178 /nfs/dbraw/zinc/47/31/78/428473178.db2.gz PHCKONYQQQDYQF-WFASDCNBSA-N 1 0 315.373 2.942 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965829 428476164 /nfs/dbraw/zinc/47/61/64/428476164.db2.gz WABVCPCULPDRRO-MLGOLLRUSA-N 1 0 315.373 2.942 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391525453 428476748 /nfs/dbraw/zinc/47/67/48/428476748.db2.gz FULSXPWIEKSWSE-HIFRSBDPSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000347475197 428585256 /nfs/dbraw/zinc/58/52/56/428585256.db2.gz NBKQFILZAVCFJJ-ZDUSSCGKSA-N 1 0 310.394 2.975 20 5 DFBDRO Cn1c2ccc(F)cc2nc1NCc1ccc([N+](=O)[O-])cc1F ZINC000361638178 428586044 /nfs/dbraw/zinc/58/60/44/428586044.db2.gz AVPKIONSWJNUIZ-UHFFFAOYSA-N 1 0 318.283 3.372 20 5 DFBDRO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373468226 428586278 /nfs/dbraw/zinc/58/62/78/428586278.db2.gz USPRXPVWCKFPRI-NVXWUHKLSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415485419 428587448 /nfs/dbraw/zinc/58/74/48/428587448.db2.gz QEGSESMKWMBPOJ-TZMCWYRMSA-N 1 0 320.393 2.945 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000398932486 428532590 /nfs/dbraw/zinc/53/25/90/428532590.db2.gz TUNWVTFSSVUUBZ-SRVKXCTJSA-N 1 0 310.781 2.841 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1cc(C)c([N+](=O)[O-])cn1)c1ccco1 ZINC000343251820 428541758 /nfs/dbraw/zinc/54/17/58/428541758.db2.gz PNEDNZAPOYFILT-QWHCGFSZSA-N 1 0 318.377 3.433 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000347350106 428559573 /nfs/dbraw/zinc/55/95/73/428559573.db2.gz CJTVGMTVCXVMHE-QXSWTLKVSA-N 1 0 301.390 2.778 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000347375164 428566918 /nfs/dbraw/zinc/56/69/18/428566918.db2.gz NWOOWXWJMKINSL-MMVAEHJNSA-N 1 0 320.389 2.780 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415585107 428598942 /nfs/dbraw/zinc/59/89/42/428598942.db2.gz ULLHOAMYSLEZHL-RYUDHWBXSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415588172 428599738 /nfs/dbraw/zinc/59/97/38/428599738.db2.gz XINVSBVVRMILEP-UHFFFAOYSA-N 1 0 306.366 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415590017 428600641 /nfs/dbraw/zinc/60/06/41/428600641.db2.gz ZQVRJKWVURPSDA-LBPRGKRZSA-N 1 0 308.382 2.707 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343997549 428602123 /nfs/dbraw/zinc/60/21/23/428602123.db2.gz CCEPVDZTKYQZSQ-ZDUSSCGKSA-N 1 0 306.362 2.714 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC([NH+]2CCCCC2)C1 ZINC000373572024 428609628 /nfs/dbraw/zinc/60/96/28/428609628.db2.gz HVEXKXMCAXZCMC-UHFFFAOYSA-N 1 0 318.377 2.733 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353589998 428610417 /nfs/dbraw/zinc/61/04/17/428610417.db2.gz IIQWISJUOYSSKW-ZDUSSCGKSA-N 1 0 315.373 2.991 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344031987 428612374 /nfs/dbraw/zinc/61/23/74/428612374.db2.gz OBDWBSGCYRQIIF-WCQYABFASA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ccc(=O)[nH]n1 ZINC000353626742 428627775 /nfs/dbraw/zinc/62/77/75/428627775.db2.gz YPSJEPCVBFSZCI-GFCCVEGCSA-N 1 0 316.361 2.764 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000362133685 428632756 /nfs/dbraw/zinc/63/27/56/428632756.db2.gz AWAKGSMMUZQKTE-MRXNPFEDSA-N 1 0 320.389 2.521 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000373709914 428638852 /nfs/dbraw/zinc/63/88/52/428638852.db2.gz BQKKUMWJLNNURS-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO COc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000292846737 274097024 /nfs/dbraw/zinc/09/70/24/274097024.db2.gz QZIWEJGNJALEQS-MRXNPFEDSA-N 1 0 323.368 2.665 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCN(C2CC2)C1 ZINC000348201701 428651436 /nfs/dbraw/zinc/65/14/36/428651436.db2.gz XJTATHCNYALJSS-MRXNPFEDSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](Cn1cncn1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279210957 274233471 /nfs/dbraw/zinc/23/34/71/274233471.db2.gz YDNCATHEFPPQMP-NHYWBVRUSA-N 1 0 315.377 2.587 20 5 DFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1C ZINC000294863647 274370608 /nfs/dbraw/zinc/37/06/08/274370608.db2.gz DIWXTOKZGJCUPP-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO CSc1ccccc1C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000348332410 428710669 /nfs/dbraw/zinc/71/06/69/428710669.db2.gz UEEBXRKNAGTFOI-UHFFFAOYSA-N 1 0 306.391 2.645 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344894923 428720637 /nfs/dbraw/zinc/72/06/37/428720637.db2.gz YRJXCNXFUZZNEG-QLKUMGTLSA-N 1 0 319.405 2.893 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000358914243 428730177 /nfs/dbraw/zinc/73/01/77/428730177.db2.gz KYIUJGJBCQYUNY-ZDUSSCGKSA-N 1 0 307.398 2.548 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000353733800 428682111 /nfs/dbraw/zinc/68/21/11/428682111.db2.gz BHSAQXTXKUKQBM-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO COc1cc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000358977381 428757152 /nfs/dbraw/zinc/75/71/52/428757152.db2.gz LNMXKQXNUWTVDV-UHFFFAOYSA-N 1 0 315.373 2.948 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)Cc1ccccc1 ZINC000359006523 428769963 /nfs/dbraw/zinc/76/99/63/428769963.db2.gz SHLXEBGCGMSHNG-IVEQORNPSA-N 1 0 312.369 2.801 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC12CCC2 ZINC000411304017 428777222 /nfs/dbraw/zinc/77/72/22/428777222.db2.gz BERYLVQOVZDLRD-UHFFFAOYSA-N 1 0 319.361 2.560 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411368970 428785724 /nfs/dbraw/zinc/78/57/24/428785724.db2.gz WPORCOSCAFJFCZ-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000353846157 428744586 /nfs/dbraw/zinc/74/45/86/428744586.db2.gz PUSWVJDOHZEEBV-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375112717 428802261 /nfs/dbraw/zinc/80/22/61/428802261.db2.gz WMYGGPMYQCWGKC-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000354025477 428827880 /nfs/dbraw/zinc/82/78/80/428827880.db2.gz DVUKXIYBXYKRSH-INIZCTEOSA-N 1 0 320.389 2.673 20 5 DFBDRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])cn1 ZINC000375240952 428829871 /nfs/dbraw/zinc/82/98/71/428829871.db2.gz YNSNFFWIPGLAIT-UHFFFAOYSA-N 1 0 324.340 2.720 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026686 428844157 /nfs/dbraw/zinc/84/41/57/428844157.db2.gz LJDYEHJOJHYGGS-NEPJUHHUSA-N 1 0 323.780 2.605 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1noc(C)n1 ZINC000348836856 428854267 /nfs/dbraw/zinc/85/42/67/428854267.db2.gz DYCDYZRZRIWNLN-XFXZXTDPSA-N 1 0 316.361 2.864 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363108305 428858435 /nfs/dbraw/zinc/85/84/35/428858435.db2.gz CZAMULMWFDKVSU-HNNXBMFYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@H]1CSc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000375393205 428872517 /nfs/dbraw/zinc/87/25/17/428872517.db2.gz PVBNYDCVXQWAII-LBPRGKRZSA-N 1 0 318.402 2.788 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418138791 428888399 /nfs/dbraw/zinc/88/83/99/428888399.db2.gz STKSGZVQKSJICB-DXTPNHAXSA-N 1 0 311.332 2.537 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000363310956 428903359 /nfs/dbraw/zinc/90/33/59/428903359.db2.gz PGWJTSYGQKCOCO-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000412058436 428932848 /nfs/dbraw/zinc/93/28/48/428932848.db2.gz VGJIXJTWRSXLHD-HNNXBMFYSA-N 1 0 317.389 2.572 20 5 DFBDRO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420271349 428955839 /nfs/dbraw/zinc/95/58/39/428955839.db2.gz VOZLRGXJTDVXGI-LBPRGKRZSA-N 1 0 300.362 3.196 20 5 DFBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000349293634 428956714 /nfs/dbraw/zinc/95/67/14/428956714.db2.gz GBZRYZZYGNONRT-LLVKDONJSA-N 1 0 320.345 2.676 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375737746 428957022 /nfs/dbraw/zinc/95/70/22/428957022.db2.gz FNYDPZOLZGKLSF-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000421740885 429025154 /nfs/dbraw/zinc/02/51/54/429025154.db2.gz MNBDKTQAABZTFN-UHFFFAOYSA-N 1 0 307.394 2.529 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354383669 428977581 /nfs/dbraw/zinc/97/75/81/428977581.db2.gz AXSKLBWAYJZWSE-UKRRQHHQSA-N 1 0 319.405 2.848 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806963 428982503 /nfs/dbraw/zinc/98/25/03/428982503.db2.gz BDROLKUOJZBZPI-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000423610875 428983839 /nfs/dbraw/zinc/98/38/39/428983839.db2.gz MFASACLSSBLUFD-CYBMUJFWSA-N 1 0 319.405 2.919 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000423620741 428983897 /nfs/dbraw/zinc/98/38/97/428983897.db2.gz WUHDKUQQIPXAIO-GXFFZTMASA-N 1 0 323.418 2.577 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000451844036 428996908 /nfs/dbraw/zinc/99/69/08/428996908.db2.gz ODSYGJCXGWYTHS-LBPRGKRZSA-N 1 0 318.377 2.652 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475890 429095159 /nfs/dbraw/zinc/09/51/59/429095159.db2.gz KSBCKXQRURCWTM-JSGCOSHPSA-N 1 0 313.348 2.880 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001921 429036188 /nfs/dbraw/zinc/03/61/88/429036188.db2.gz GGAAKMFUXYDCGB-OCCSQVGLSA-N 1 0 308.378 2.597 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020380 429039243 /nfs/dbraw/zinc/03/92/43/429039243.db2.gz ZITYGSBPBXZWIU-OLZOCXBDSA-N 1 0 308.378 2.597 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452017008 429039315 /nfs/dbraw/zinc/03/93/15/429039315.db2.gz WXDXOXPKAYJARB-GFCCVEGCSA-N 1 0 317.389 2.747 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000452016885 429040790 /nfs/dbraw/zinc/04/07/90/429040790.db2.gz WQUBOJGLSJFZIW-LLVKDONJSA-N 1 0 321.377 2.805 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000376046035 429046829 /nfs/dbraw/zinc/04/68/29/429046829.db2.gz PNFZCJIDIAATOR-XJKSGUPXSA-N 1 0 320.389 2.993 20 5 DFBDRO CCOc1cc(CNC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000452095535 429055921 /nfs/dbraw/zinc/05/59/21/429055921.db2.gz LQTSIZCUJWDVJN-UHFFFAOYSA-N 1 0 321.421 2.958 20 5 DFBDRO COC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000452094194 429056654 /nfs/dbraw/zinc/05/66/54/429056654.db2.gz VTLPYDGYBVVGEL-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424073137 429086544 /nfs/dbraw/zinc/08/65/44/429086544.db2.gz MDIXLCVORGEQLN-BPNCWPANSA-N 1 0 319.405 2.657 20 5 DFBDRO Cc1cc(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487200901 429142856 /nfs/dbraw/zinc/14/28/56/429142856.db2.gz PVRSCHMBFKSYJA-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413131171 429144429 /nfs/dbraw/zinc/14/44/29/429144429.db2.gz AAQJFDSPQLZCTL-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000376590193 429144970 /nfs/dbraw/zinc/14/49/70/429144970.db2.gz MYPQQSWOAUNWAF-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(NCC[NH+]3CCSCC3)c2c1 ZINC000413136016 429146352 /nfs/dbraw/zinc/14/63/52/429146352.db2.gz KNCJYQCHBOXLGO-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423503620 429101501 /nfs/dbraw/zinc/10/15/01/429101501.db2.gz MXIXIBRNMRBRLP-VXGBXAGGSA-N 1 0 305.378 2.541 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000424272332 429118129 /nfs/dbraw/zinc/11/81/29/429118129.db2.gz QITVJJAYUMTCPO-ZJIFFRHRSA-N 1 0 320.389 2.897 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000413004718 429121636 /nfs/dbraw/zinc/12/16/36/429121636.db2.gz XQVIMKGSINPQKO-GFCCVEGCSA-N 1 0 313.785 2.673 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376512019 429125544 /nfs/dbraw/zinc/12/55/44/429125544.db2.gz GAZZOKAYWRZCDF-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000424321367 429126562 /nfs/dbraw/zinc/12/65/62/429126562.db2.gz SLZCAASEPWHFIG-LYRGGWFBSA-N 1 0 316.361 2.509 20 5 DFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000494644045 429137394 /nfs/dbraw/zinc/13/73/94/429137394.db2.gz XRMBKCQAVWIJNW-LBPRGKRZSA-N 1 0 322.386 2.667 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000494658804 429138011 /nfs/dbraw/zinc/13/80/11/429138011.db2.gz ZOCIWQFIWLHABI-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413108601 429139337 /nfs/dbraw/zinc/13/93/37/429139337.db2.gz DTWUFFGQYCZGRM-AWEZNQCLSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487194351 429141089 /nfs/dbraw/zinc/14/10/89/429141089.db2.gz AKHVOXWXGJFOTN-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000413120217 429141828 /nfs/dbraw/zinc/14/18/28/429141828.db2.gz QADDXRODFZPWNE-MRVPVSSYSA-N 1 0 318.299 2.903 20 5 DFBDRO COc1ccc(C[NH2+]C2(C3CC3)CCOCC2)cc1[N+](=O)[O-] ZINC000364070995 429166336 /nfs/dbraw/zinc/16/63/36/429166336.db2.gz YDGHSQKPWGECAT-UHFFFAOYSA-N 1 0 306.362 2.652 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364089027 429168840 /nfs/dbraw/zinc/16/88/40/429168840.db2.gz PAWLHIGMOQPOPW-KBPBESRZSA-N 1 0 303.362 2.836 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095786 429170130 /nfs/dbraw/zinc/17/01/30/429170130.db2.gz OQHCSRFJBKOBPN-HOTGVXAUSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCC3)CC2)c(Cl)c1 ZINC000301296598 275040701 /nfs/dbraw/zinc/04/07/01/275040701.db2.gz XWHLFAKNSFPFSR-UHFFFAOYSA-N 1 0 310.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC([NH2+]C2CC2)CC1 ZINC000291850748 275041879 /nfs/dbraw/zinc/04/18/79/275041879.db2.gz HHCVOBSSLWEBDU-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000487930668 429175490 /nfs/dbraw/zinc/17/54/90/429175490.db2.gz FZLJKEWYVNEZAU-ZDUSSCGKSA-N 1 0 314.389 2.709 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000364311666 429179474 /nfs/dbraw/zinc/17/94/74/429179474.db2.gz WTQHGFBSGSHISA-LXZKKBNFSA-N 1 0 320.389 2.892 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCCC3CCOCC3)C2)c1 ZINC000364329350 429184039 /nfs/dbraw/zinc/18/40/39/429184039.db2.gz QUJPJPJCQIZUPV-HNNXBMFYSA-N 1 0 322.409 2.635 20 5 DFBDRO CC[NH+](CC)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000495591963 429228638 /nfs/dbraw/zinc/22/86/38/429228638.db2.gz BTZSVDQLUVRKKP-UHFFFAOYSA-N 1 0 321.421 2.964 20 5 DFBDRO C[C@H]1[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000436362804 429198737 /nfs/dbraw/zinc/19/87/37/429198737.db2.gz QDTVVRQVHWJWIA-DTWKUNHWSA-N 1 0 318.299 2.903 20 5 DFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCCCC1 ZINC000443436309 429250441 /nfs/dbraw/zinc/25/04/41/429250441.db2.gz JCDMKLAEEDTKKU-GFCCVEGCSA-N 1 0 312.439 3.364 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000425252923 429252504 /nfs/dbraw/zinc/25/25/04/429252504.db2.gz IGGAOVGLNCCTDI-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489860401 429263889 /nfs/dbraw/zinc/26/38/89/429263889.db2.gz CHHKTHOGCRKKAP-ZDUSSCGKSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCn3ccnc3C2)c2ncccc12 ZINC000489883008 429266030 /nfs/dbraw/zinc/26/60/30/429266030.db2.gz IFQZZRYQCQQRCZ-NSHDSACASA-N 1 0 309.329 2.766 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000449082970 429327551 /nfs/dbraw/zinc/32/75/51/429327551.db2.gz RHIOFLPPLUBANN-KMFMINBZSA-N 1 0 303.406 2.742 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812629 429328237 /nfs/dbraw/zinc/32/82/37/429328237.db2.gz HPTGHTDXSLIWBZ-QWHCGFSZSA-N 1 0 308.378 2.960 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000456399425 429298145 /nfs/dbraw/zinc/29/81/45/429298145.db2.gz UUAMILLJSKNSNC-MFKMUULPSA-N 1 0 300.318 2.536 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2C[C@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000456399422 429298605 /nfs/dbraw/zinc/29/86/05/429298605.db2.gz UUAMILLJSKNSNC-GWCFXTLKSA-N 1 0 300.318 2.536 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301648850 275577304 /nfs/dbraw/zinc/57/73/04/275577304.db2.gz QXRYYRNZPGFILB-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425496243 429310508 /nfs/dbraw/zinc/31/05/08/429310508.db2.gz AGRALQIGXMZFOT-DOMZBBRYSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425503509 429312655 /nfs/dbraw/zinc/31/26/55/429312655.db2.gz SLWJHVCPTYNYSY-STQMWFEESA-N 1 0 301.350 2.584 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000365400766 429312982 /nfs/dbraw/zinc/31/29/82/429312982.db2.gz AUKXJFRQSCMGFC-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457112349 429404710 /nfs/dbraw/zinc/40/47/10/429404710.db2.gz JDEOWFZSCZWSSE-HNNXBMFYSA-N 1 0 319.405 2.712 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000517955771 429406625 /nfs/dbraw/zinc/40/66/25/429406625.db2.gz CSYIXFKKNNMFDO-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCn2ccnc21 ZINC000449166588 429349468 /nfs/dbraw/zinc/34/94/68/429349468.db2.gz DXFNBJBXOWFNKK-UKRRQHHQSA-N 1 0 314.389 2.890 20 5 DFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491505813 429367058 /nfs/dbraw/zinc/36/70/58/429367058.db2.gz MKVNDOHZJIFJFU-ZNFPLGDCSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491531921 429370620 /nfs/dbraw/zinc/37/06/20/429370620.db2.gz IPILDMWKJMPEIM-XYLWRLHESA-N 1 0 323.368 2.594 20 5 DFBDRO COCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426293754 429380490 /nfs/dbraw/zinc/38/04/90/429380490.db2.gz HTBLPVUONZBLHR-OLZOCXBDSA-N 1 0 310.398 2.537 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000365836475 429384450 /nfs/dbraw/zinc/38/44/50/429384450.db2.gz INTUUKXGHIZQMM-BLLLJJGKSA-N 1 0 306.362 2.604 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491958716 429442708 /nfs/dbraw/zinc/44/27/08/429442708.db2.gz DYLXKCBRVGSXIF-HJWRWDBZSA-N 1 0 317.389 2.551 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000457361480 429451448 /nfs/dbraw/zinc/45/14/48/429451448.db2.gz KMHABTXKGGVXJP-LLVKDONJSA-N 1 0 323.418 2.518 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706619 429430545 /nfs/dbraw/zinc/43/05/45/429430545.db2.gz PPTZNZNMBNIZGR-DZGCQCFKSA-N 1 0 319.405 2.641 20 5 DFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449482107 429431173 /nfs/dbraw/zinc/43/11/73/429431173.db2.gz AMAAGXCTSYPZNV-UPJWGTAASA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449505961 429438098 /nfs/dbraw/zinc/43/80/98/429438098.db2.gz KDUHBZRGBVYIKG-PUECVXPYSA-N 1 0 318.417 2.913 20 5 DFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519713613 429481780 /nfs/dbraw/zinc/48/17/80/429481780.db2.gz VDNKVLJQXLAMBY-LBPRGKRZSA-N 1 0 302.334 2.923 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000519824141 429491993 /nfs/dbraw/zinc/49/19/93/429491993.db2.gz SOZNLOSGNHTAFK-CABCVRRESA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1cnc([C@@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000428941359 429561053 /nfs/dbraw/zinc/56/10/53/429561053.db2.gz VHKLDFPABSEVQY-CYBMUJFWSA-N 1 0 300.362 2.929 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000367068018 429568830 /nfs/dbraw/zinc/56/88/30/429568830.db2.gz PILXFAWAXWBPAP-QGZVFWFLSA-N 1 0 320.389 2.866 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011939 429571486 /nfs/dbraw/zinc/57/14/86/429571486.db2.gz SYAXLUIRTSEDRY-JKIFEVAISA-N 1 0 303.406 2.757 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492585531 429572221 /nfs/dbraw/zinc/57/22/21/429572221.db2.gz XMILZEGIIMVNJX-KGLIPLIRSA-N 1 0 321.421 2.908 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030760 429574169 /nfs/dbraw/zinc/57/41/69/429574169.db2.gz SPOVLGZNLIDALD-KEYYUXOJSA-N 1 0 303.406 2.757 20 5 DFBDRO Cc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000521142546 429539875 /nfs/dbraw/zinc/53/98/75/429539875.db2.gz WHZHVLLFYCLFAE-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492459626 429542471 /nfs/dbraw/zinc/54/24/71/429542471.db2.gz GJHACWXLNSQBAS-OAHLLOKOSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429575038 429618555 /nfs/dbraw/zinc/61/85/55/429618555.db2.gz CDWGGGZDBAIVGM-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1C[NH+](C)C ZINC000458312845 429618855 /nfs/dbraw/zinc/61/88/55/429618855.db2.gz ITPCIQQRMSVTNT-UHFFFAOYSA-N 1 0 303.318 2.810 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429575685 429619214 /nfs/dbraw/zinc/61/92/14/429619214.db2.gz AFXHXWTVBFWMJX-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000367346215 429626117 /nfs/dbraw/zinc/62/61/17/429626117.db2.gz HZXQJZLXVFDHAO-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450531101 429641339 /nfs/dbraw/zinc/64/13/39/429641339.db2.gz GRPAITBCZBZMAL-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)n1 ZINC000450548576 429644621 /nfs/dbraw/zinc/64/46/21/429644621.db2.gz SSYQYWSGQWPVRB-NSHDSACASA-N 1 0 304.394 2.527 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000367450789 429649236 /nfs/dbraw/zinc/64/92/36/429649236.db2.gz PLSIJFXTWRXRTM-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3=CCCCC3)C2)nc1 ZINC000450565579 429650965 /nfs/dbraw/zinc/65/09/65/429650965.db2.gz JMIJGUZBSOEKFM-CQSZACIVSA-N 1 0 302.378 2.976 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450285160 429592814 /nfs/dbraw/zinc/59/28/14/429592814.db2.gz NBFYERMHSWNHSW-LLVKDONJSA-N 1 0 320.418 3.470 20 5 DFBDRO Cc1ccc(C)c(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000429286898 429594583 /nfs/dbraw/zinc/59/45/83/429594583.db2.gz KREVMCCDHJNUPD-UHFFFAOYSA-N 1 0 315.373 2.505 20 5 DFBDRO COCCC[N@H+](C)CCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450354375 429606909 /nfs/dbraw/zinc/60/69/09/429606909.db2.gz LIXYBLQXIYUJGA-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])nc1 ZINC000450378793 429612010 /nfs/dbraw/zinc/61/20/10/429612010.db2.gz MRBAOVVZBPXQCC-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429547938 429613478 /nfs/dbraw/zinc/61/34/78/429613478.db2.gz KQXFJFGIWFUOJU-ZDUSSCGKSA-N 1 0 319.361 2.786 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000430195615 429660930 /nfs/dbraw/zinc/66/09/30/429660930.db2.gz OPDXWBRHTMZZIF-HUBLWGQQSA-N 1 0 308.378 2.585 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000430227916 429665640 /nfs/dbraw/zinc/66/56/40/429665640.db2.gz CPMUEZGHBKVGFV-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000430241211 429666443 /nfs/dbraw/zinc/66/64/43/429666443.db2.gz GEARFNLHGPAONY-GXTWGEPZSA-N 1 0 307.394 2.518 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243988 429667545 /nfs/dbraw/zinc/66/75/45/429667545.db2.gz NGPZXLITABSPLM-UKRRQHHQSA-N 1 0 321.421 2.908 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243989 429668063 /nfs/dbraw/zinc/66/80/63/429668063.db2.gz NGPZXLITABSPLM-ZFWWWQNUSA-N 1 0 321.421 2.908 20 5 DFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000236670948 276036808 /nfs/dbraw/zinc/03/68/08/276036808.db2.gz OTHSETKFJYOXAZ-KRWDZBQOSA-N 1 0 321.421 2.996 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493024250 429672463 /nfs/dbraw/zinc/67/24/63/429672463.db2.gz YDMWGMAWSKUELY-VFFGBVLKSA-N 1 0 323.368 2.592 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000127734466 276347639 /nfs/dbraw/zinc/34/76/39/276347639.db2.gz HUVCTYQDJKMUFT-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701065 429702429 /nfs/dbraw/zinc/70/24/29/429702429.db2.gz KBAHEEIWYDSVCI-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000527109511 429723916 /nfs/dbraw/zinc/72/39/16/429723916.db2.gz OVAGPDYSIJRKBR-MRXNPFEDSA-N 1 0 308.378 2.768 20 5 DFBDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262320 429799013 /nfs/dbraw/zinc/79/90/13/429799013.db2.gz XJTPYSBGLJSPRK-CZUORRHYSA-N 1 0 322.405 2.975 20 5 DFBDRO CCC[N@@H+]1CCCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000367944868 429749035 /nfs/dbraw/zinc/74/90/35/429749035.db2.gz NFOQREZHGXZDKC-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO Cc1noc(C2(C)CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000367986108 429760078 /nfs/dbraw/zinc/76/00/78/429760078.db2.gz YPVUBIAVWYUMIV-UHFFFAOYSA-N 1 0 316.361 2.840 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451082665 429763505 /nfs/dbraw/zinc/76/35/05/429763505.db2.gz MPQDXRCZWMGGGU-ZDUSSCGKSA-N 1 0 319.405 2.520 20 5 DFBDRO CCOc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487070591 429764698 /nfs/dbraw/zinc/76/46/98/429764698.db2.gz UWJLUECRCQYVIJ-OAHLLOKOSA-N 1 0 307.394 2.770 20 5 DFBDRO CCOc1cc(CN(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000493547130 429784291 /nfs/dbraw/zinc/78/42/91/429784291.db2.gz NUDCWOPKNKLVFL-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO COC[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000451204398 429788070 /nfs/dbraw/zinc/78/80/70/429788070.db2.gz WUEIHVLQKFCNHG-OAHLLOKOSA-N 1 0 305.334 2.594 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H](n2cccn2)C1 ZINC000368282556 429824299 /nfs/dbraw/zinc/82/42/99/429824299.db2.gz UFZFLXYIYWTGQP-ZDUSSCGKSA-N 1 0 306.753 2.892 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451413876 429824415 /nfs/dbraw/zinc/82/44/15/429824415.db2.gz HRFNQDJLAOZPAG-PEYYIBSZSA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000451411327 429824453 /nfs/dbraw/zinc/82/44/53/429824453.db2.gz DWTSHRQLUHOXSS-BBWFWOEESA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000451411328 429824577 /nfs/dbraw/zinc/82/45/77/429824577.db2.gz DWTSHRQLUHOXSS-BRWVUGGUSA-N 1 0 320.389 2.599 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451492284 429835401 /nfs/dbraw/zinc/83/54/01/429835401.db2.gz CSUSQYURWBXZAB-COLVAYQJSA-N 1 0 308.378 2.753 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000451495194 429836442 /nfs/dbraw/zinc/83/64/42/429836442.db2.gz SEWCMBMYWDUGOK-MAZHCROVSA-N 1 0 318.373 2.651 20 5 DFBDRO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544015 429846952 /nfs/dbraw/zinc/84/69/52/429846952.db2.gz CZGVVWSIZSOJGN-AWEZNQCLSA-N 1 0 319.405 2.689 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000368448093 429851125 /nfs/dbraw/zinc/85/11/25/429851125.db2.gz XTSAFAIZHNZBMX-NEPJUHHUSA-N 1 0 323.418 2.569 20 5 DFBDRO CCC(=O)CC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000368460229 429852237 /nfs/dbraw/zinc/85/22/37/429852237.db2.gz ANAFDOOZPQOJIW-UHFFFAOYSA-N 1 0 317.389 2.944 20 5 DFBDRO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560872 429854927 /nfs/dbraw/zinc/85/49/27/429854927.db2.gz IJYFKXABJLFRNR-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000451590765 429859981 /nfs/dbraw/zinc/85/99/81/429859981.db2.gz LLMNPTBEIZTHGD-KGLIPLIRSA-N 1 0 306.362 2.806 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451645658 429866111 /nfs/dbraw/zinc/86/61/11/429866111.db2.gz BNBYYWPGRAEJDW-CQSZACIVSA-N 1 0 308.403 2.931 20 5 DFBDRO CCc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236964599 276666747 /nfs/dbraw/zinc/66/67/47/276666747.db2.gz BWSUFVPRVCGPOB-MRXNPFEDSA-N 1 0 307.394 2.651 20 5 DFBDRO Cc1ccc([C@]2(C)CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000369384068 429935697 /nfs/dbraw/zinc/93/56/97/429935697.db2.gz QCZBZFLDWUIFNX-QGZVFWFLSA-N 1 0 314.389 2.800 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000573269040 429937847 /nfs/dbraw/zinc/93/78/47/429937847.db2.gz SDQJUHGGDMXSQR-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO O=C(CC[NH2+]CC(C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000574392785 430036588 /nfs/dbraw/zinc/03/65/88/430036588.db2.gz FTNMDSPADAKFTQ-UHFFFAOYSA-N 1 0 317.389 2.949 20 5 DFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000574409110 430041156 /nfs/dbraw/zinc/04/11/56/430041156.db2.gz FIRGYPKYPJKVIN-UHFFFAOYSA-N 1 0 323.780 2.592 20 5 DFBDRO CC1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[NH2+]CC1 ZINC000574452536 430043239 /nfs/dbraw/zinc/04/32/39/430043239.db2.gz BMURBPVAKHEZAT-UHFFFAOYSA-N 1 0 304.394 2.670 20 5 DFBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000574030701 430004332 /nfs/dbraw/zinc/00/43/32/430004332.db2.gz KJAKDUSIMSWFLR-LXTVHRRPSA-N 1 0 322.409 2.822 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264668256 276870696 /nfs/dbraw/zinc/87/06/96/276870696.db2.gz OHEIAGZBAWSSPD-AWEZNQCLSA-N 1 0 300.362 2.673 20 5 DFBDRO [NH3+]CCC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000580896448 430160879 /nfs/dbraw/zinc/16/08/79/430160879.db2.gz LIOIKBYJUADXPR-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000151001862 277039278 /nfs/dbraw/zinc/03/92/78/277039278.db2.gz BZRMBIXZXZADJA-CYBMUJFWSA-N 1 0 319.405 2.716 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2[C@H]1c1ccccc1 ZINC000377837918 277199790 /nfs/dbraw/zinc/19/97/90/277199790.db2.gz SPIZBMHDKQSHRQ-HLLBOEOZSA-N 1 0 324.384 2.729 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000581499525 430215096 /nfs/dbraw/zinc/21/50/96/430215096.db2.gz IXXYHDVQIQJQOV-OLZOCXBDSA-N 1 0 305.378 2.524 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582333957 430289415 /nfs/dbraw/zinc/28/94/15/430289415.db2.gz PWABLPHEFLUPCC-CHWSQXEVSA-N 1 0 307.394 2.543 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546267 430310579 /nfs/dbraw/zinc/31/05/79/430310579.db2.gz JUEOGOHRBBAXRN-WDEREUQCSA-N 1 0 320.418 2.934 20 5 DFBDRO C[NH+]1CCC(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000582722522 430327747 /nfs/dbraw/zinc/32/77/47/430327747.db2.gz MVRKTJMGVDXESP-UHFFFAOYSA-N 1 0 304.394 2.622 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC1CCOCC1 ZINC000583035779 430357032 /nfs/dbraw/zinc/35/70/32/430357032.db2.gz XEMJISRKJGXYQJ-INIZCTEOSA-N 1 0 320.389 2.757 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C[C@H]1C ZINC000568643343 430377303 /nfs/dbraw/zinc/37/73/03/430377303.db2.gz HXPIZRPLOMMZBM-OCCSQVGLSA-N 1 0 307.394 2.694 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000569116001 430425289 /nfs/dbraw/zinc/42/52/89/430425289.db2.gz CKCLGIDNPIDJFZ-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000570054863 430509950 /nfs/dbraw/zinc/50/99/50/430509950.db2.gz BSXLBUGDTUFUIO-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000549248823 430521812 /nfs/dbraw/zinc/52/18/12/430521812.db2.gz YTSBCQAFSRDDDP-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CCC1 ZINC000598636512 430524610 /nfs/dbraw/zinc/52/46/10/430524610.db2.gz YRCSGZYXBKHDTO-UHFFFAOYSA-N 1 0 312.373 3.211 20 5 DFBDRO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000599042318 430526572 /nfs/dbraw/zinc/52/65/72/430526572.db2.gz CCLVCFRUDHYWBO-LBPRGKRZSA-N 1 0 314.389 3.285 20 5 DFBDRO C[C@@H]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570564890 430554102 /nfs/dbraw/zinc/55/41/02/430554102.db2.gz MHWZQJJYMGOVRS-OLZOCXBDSA-N 1 0 305.378 2.949 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000571121830 430604414 /nfs/dbraw/zinc/60/44/14/430604414.db2.gz UERSSSUKIAYJBZ-PHIMTYICSA-N 1 0 320.315 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(C3CC3)C1)CCC2 ZINC000571193342 430612418 /nfs/dbraw/zinc/61/24/18/430612418.db2.gz FMMHSHODMVFHSU-DYVFJYSZSA-N 1 0 301.390 2.799 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571326705 430620628 /nfs/dbraw/zinc/62/06/28/430620628.db2.gz KCKBSYHPMLCPLP-ZVVFDCPKSA-N 1 0 301.390 2.684 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000262126002 277937511 /nfs/dbraw/zinc/93/75/11/277937511.db2.gz LAHBRHMZZCWSJI-CQSZACIVSA-N 1 0 305.378 2.572 20 5 DFBDRO COc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000249277180 278016787 /nfs/dbraw/zinc/01/67/87/278016787.db2.gz DLYGNYSGOVGUDP-CHWSQXEVSA-N 1 0 305.378 2.524 20 5 DFBDRO CC(=O)c1ccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000295026305 278247109 /nfs/dbraw/zinc/24/71/09/278247109.db2.gz VKHAGDAJVVQVAO-LBPRGKRZSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358292084 278385609 /nfs/dbraw/zinc/38/56/09/278385609.db2.gz GXKUTFBEAXLRLD-HIFRSBDPSA-N 1 0 320.389 2.974 20 5 DFBDRO C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262501143 278556840 /nfs/dbraw/zinc/55/68/40/278556840.db2.gz LZXXQKYFIYHYCZ-VXGBXAGGSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000125166199 278864201 /nfs/dbraw/zinc/86/42/01/278864201.db2.gz QQVPHQIXVMYIJR-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000077729688 280215659 /nfs/dbraw/zinc/21/56/59/280215659.db2.gz JROAWCBPOKVPQS-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+](Cc2ccco2)C2CCCC2)n1 ZINC000176211959 280376741 /nfs/dbraw/zinc/37/67/41/280376741.db2.gz VIRAZQFOHWCMIQ-UHFFFAOYSA-N 1 0 304.350 2.829 20 5 DFBDRO Cc1cc(N2CC[C@H](O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302555204 280577190 /nfs/dbraw/zinc/57/71/90/280577190.db2.gz XPMFVLVXCOYHMV-HWPZZCPQSA-N 1 0 301.346 2.659 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859130 281184726 /nfs/dbraw/zinc/18/47/26/281184726.db2.gz ILVPHFMPQCFRJL-GOEBONIOSA-N 1 0 317.389 2.684 20 5 DFBDRO Cc1ccccc1[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267059908 281392664 /nfs/dbraw/zinc/39/26/64/281392664.db2.gz IKQDBXKZOFAXTQ-AWEZNQCLSA-N 1 0 300.362 2.589 20 5 DFBDRO CCc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186549612 288530288 /nfs/dbraw/zinc/53/02/88/288530288.db2.gz VGJZNXBVVKXZPF-AWEZNQCLSA-N 1 0 317.389 2.514 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000363356529 289081896 /nfs/dbraw/zinc/08/18/96/289081896.db2.gz RWBMGTGGZXSDKN-CQSZACIVSA-N 1 0 300.362 2.535 20 5 DFBDRO COc1ccc([C@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000363357645 289082899 /nfs/dbraw/zinc/08/28/99/289082899.db2.gz UJHGTEUNZKADTC-CQSZACIVSA-N 1 0 316.361 2.674 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC[C@@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415700576 289121301 /nfs/dbraw/zinc/12/13/01/289121301.db2.gz MVOBWZZEVJXVGE-CYBMUJFWSA-N 1 0 320.393 2.751 20 5 DFBDRO C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000415706904 289122014 /nfs/dbraw/zinc/12/20/14/289122014.db2.gz VHIMZMLWKRGZDX-VHSXEESVSA-N 1 0 308.382 2.750 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415709413 289122157 /nfs/dbraw/zinc/12/21/57/289122157.db2.gz YHOBBQWJVAVEPG-LLVKDONJSA-N 1 0 320.393 2.718 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415756856 289131247 /nfs/dbraw/zinc/13/12/47/289131247.db2.gz FPTVBEOHHJQTCO-GFCCVEGCSA-N 1 0 320.393 2.668 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301872750 290226494 /nfs/dbraw/zinc/22/64/94/290226494.db2.gz XIHPPIGPPBGIPY-ZFWWWQNUSA-N 1 0 316.336 2.986 20 5 DFBDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494242668 299862887 /nfs/dbraw/zinc/86/28/87/299862887.db2.gz URXPBLPALXLHIR-BDJLRTHQSA-N 1 0 317.345 2.907 20 5 DFBDRO CC[C@H]1CN(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000494465097 299870107 /nfs/dbraw/zinc/87/01/07/299870107.db2.gz MMMOKJDHBIPHOF-HOCLYGCPSA-N 1 0 321.421 2.665 20 5 DFBDRO COCCN1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154849939 295307766 /nfs/dbraw/zinc/30/77/66/295307766.db2.gz WLKSSWVLNDKMKP-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000364202929 295338960 /nfs/dbraw/zinc/33/89/60/295338960.db2.gz JZKGYCGLLASRCE-DZGCQCFKSA-N 1 0 323.780 2.592 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cnc(C)cc2C)cc1[N+](=O)[O-] ZINC000397029206 295486330 /nfs/dbraw/zinc/48/63/30/295486330.db2.gz OEFVCMZZTSCQMC-UHFFFAOYSA-N 1 0 301.346 2.905 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411642069 295550961 /nfs/dbraw/zinc/55/09/61/295550961.db2.gz GPZXDHDJPADVFN-UHOFOFEASA-N 1 0 319.405 2.545 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438486806 297095425 /nfs/dbraw/zinc/09/54/25/297095425.db2.gz ZDYAFSXIFQYABA-GFCCVEGCSA-N 1 0 321.377 2.520 20 5 DFBDRO COc1ccc(OCC[N@H+](C)CCC(F)(F)F)c([N+](=O)[O-])c1 ZINC000438786574 297103973 /nfs/dbraw/zinc/10/39/73/297103973.db2.gz SFPVXMVCFVTBLS-UHFFFAOYSA-N 1 0 322.283 2.866 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000439254741 297119942 /nfs/dbraw/zinc/11/99/42/297119942.db2.gz FSYFXDJTKQEZPK-UHFFFAOYSA-N 1 0 307.394 2.788 20 5 DFBDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000439683663 297134979 /nfs/dbraw/zinc/13/49/79/297134979.db2.gz UTWFDUUHWNLKMW-MRXNPFEDSA-N 1 0 319.405 2.835 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000441629211 297186785 /nfs/dbraw/zinc/18/67/85/297186785.db2.gz WDIFRNUJODVAMI-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000444678623 297244529 /nfs/dbraw/zinc/24/45/29/297244529.db2.gz ZQWWDDJNUOSXGH-ZDUSSCGKSA-N 1 0 318.377 2.766 20 5 DFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685554 297245292 /nfs/dbraw/zinc/24/52/92/297245292.db2.gz ALCREZISOUMNIC-INIZCTEOSA-N 1 0 318.377 2.598 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@@H](C)O1 ZINC000446078751 297274436 /nfs/dbraw/zinc/27/44/36/297274436.db2.gz HYGOSBINAGTOJU-HZSPNIEDSA-N 1 0 308.378 2.861 20 5 DFBDRO COC1(CO)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000447083255 297294673 /nfs/dbraw/zinc/29/46/73/297294673.db2.gz BCONDEIESZIAAI-UHFFFAOYSA-N 1 0 322.405 2.692 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCOCC2CC2)n1 ZINC000447510732 297305985 /nfs/dbraw/zinc/30/59/85/297305985.db2.gz ZVKCZUCNFYSSLZ-LSDHHAIUSA-N 1 0 322.409 2.681 20 5 DFBDRO CC(C)CCOCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447560953 297308241 /nfs/dbraw/zinc/30/82/41/297308241.db2.gz GIZKRGWKBOIPLD-LSDHHAIUSA-N 1 0 324.425 2.927 20 5 DFBDRO COCCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600294 297310285 /nfs/dbraw/zinc/31/02/85/297310285.db2.gz LSJHRHFAWWBJHH-UONOGXRCSA-N 1 0 324.425 2.927 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CC(F)F)CCC2 ZINC000447602664 297310287 /nfs/dbraw/zinc/31/02/87/297310287.db2.gz VBKOQVIMFIJEFT-GWCFXTLKSA-N 1 0 300.305 2.578 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677585 297312845 /nfs/dbraw/zinc/31/28/45/297312845.db2.gz VDZOEUIBJJGOAX-TXEJJXNPSA-N 1 0 317.393 2.568 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000449085259 297403087 /nfs/dbraw/zinc/40/30/87/297403087.db2.gz LQJDGATXVXEOFY-KGLIPLIRSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCOC1 ZINC000449163894 297416012 /nfs/dbraw/zinc/41/60/12/297416012.db2.gz NWGGASLBYNMODF-LSDHHAIUSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000449168507 297416860 /nfs/dbraw/zinc/41/68/60/297416860.db2.gz DPMQIPSQXAVGQB-PBHICJAKSA-N 1 0 314.385 2.892 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CCO)c1ccco1 ZINC000449252873 297429776 /nfs/dbraw/zinc/42/97/76/297429776.db2.gz UCAIYJAWWCZJKF-JSGCOSHPSA-N 1 0 304.346 2.832 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000449329923 297447347 /nfs/dbraw/zinc/44/73/47/297447347.db2.gz KAIHMJOIMLPFMY-SOUVJXGZSA-N 1 0 306.406 2.914 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449509376 297482364 /nfs/dbraw/zinc/48/23/64/297482364.db2.gz OMPRKFKEWJLKMM-IRXDYDNUSA-N 1 0 304.390 2.790 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000449646397 297505785 /nfs/dbraw/zinc/50/57/85/297505785.db2.gz NSBQKDZEZVYYNQ-CMPLNLGQSA-N 1 0 317.345 2.588 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710003 297517209 /nfs/dbraw/zinc/51/72/09/297517209.db2.gz LDUZJTBZUCNLFE-DGCLKSJQSA-N 1 0 319.405 2.750 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])nc1 ZINC000450373863 297620727 /nfs/dbraw/zinc/62/07/27/297620727.db2.gz ASBDYAAQVUAZDJ-UHFFFAOYSA-N 1 0 300.362 2.558 20 5 DFBDRO CC[NH+](CC)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839166 298033926 /nfs/dbraw/zinc/03/39/26/298033926.db2.gz FZYAUYUJZPFNSM-HNNXBMFYSA-N 1 0 319.405 2.643 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453371923 298087593 /nfs/dbraw/zinc/08/75/93/298087593.db2.gz YNMZKVYUVBPRHW-YVEFUNNKSA-N 1 0 314.389 2.927 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455323332 298338702 /nfs/dbraw/zinc/33/87/02/298338702.db2.gz CWBIDYHTZJVWJN-ZDUSSCGKSA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@H](CO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305852007 298796238 /nfs/dbraw/zinc/79/62/38/298796238.db2.gz VGRFWLIQGVYJNS-SUMWQHHRSA-N 1 0 300.358 2.902 20 5 DFBDRO COC1([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000515498949 300310745 /nfs/dbraw/zinc/31/07/45/300310745.db2.gz LIESCRCOQGZQDW-SWLSCSKDSA-N 1 0 320.389 2.756 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000521116447 300517818 /nfs/dbraw/zinc/51/78/18/300517818.db2.gz LPTFIRMDRPMTFA-AMPATBDRSA-N 1 0 303.406 2.880 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCc2ccccc21 ZINC000530904726 301071205 /nfs/dbraw/zinc/07/12/05/301071205.db2.gz GMDJTNBAGCDQKE-HNNXBMFYSA-N 1 0 300.362 2.801 20 5 DFBDRO C[C@H]1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983650 301123199 /nfs/dbraw/zinc/12/31/99/301123199.db2.gz KDQUUMRHZMRHOM-YOEHRIQHSA-N 1 0 317.433 2.847 20 5 DFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533295422 301194847 /nfs/dbraw/zinc/19/48/47/301194847.db2.gz ZHKRNPNMEZFUKS-MNOVXSKESA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000536840376 301291810 /nfs/dbraw/zinc/29/18/10/301291810.db2.gz PHMSEYXUHQHGDX-NXEZZACHSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCNC(=O)c1ccco1 ZINC000537971324 301315320 /nfs/dbraw/zinc/31/53/20/301315320.db2.gz IXRFFBQKUZQADC-LBPRGKRZSA-N 1 0 317.345 2.577 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000539086250 301337794 /nfs/dbraw/zinc/33/77/94/301337794.db2.gz DPZOTHLIUOOKJJ-SWLSCSKDSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C)C[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000266860234 301338937 /nfs/dbraw/zinc/33/89/37/301338937.db2.gz WNCLIUHNCNGOOT-INIZCTEOSA-N 1 0 312.373 2.791 20 5 DFBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])cn2C)c(C[NH+](C)C)c1 ZINC000539621496 301345737 /nfs/dbraw/zinc/34/57/37/301345737.db2.gz CBTOWMXCZZKFFI-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000540589247 301365407 /nfs/dbraw/zinc/36/54/07/301365407.db2.gz RXMSNYQKMWJXJH-HNNXBMFYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000540589248 301365547 /nfs/dbraw/zinc/36/55/47/301365547.db2.gz RXMSNYQKMWJXJH-OAHLLOKOSA-N 1 0 319.405 2.898 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000540609735 301365891 /nfs/dbraw/zinc/36/58/91/301365891.db2.gz YRJVJAXFJXLFAF-BZUAXINKSA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000540660405 301366980 /nfs/dbraw/zinc/36/69/80/301366980.db2.gz YHXMYFLJCTVOAA-ZDUSSCGKSA-N 1 0 316.357 2.817 20 5 DFBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1ccccc1 ZINC000548907465 301623142 /nfs/dbraw/zinc/62/31/42/301623142.db2.gz MGDXTWIEUIENAY-UHFFFAOYSA-N 1 0 313.357 2.756 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](F)C1 ZINC000554375740 301733275 /nfs/dbraw/zinc/73/32/75/301733275.db2.gz WETVRYXKDSWYBP-MDZLAQPJSA-N 1 0 309.341 2.792 20 5 DFBDRO CCn1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000555789386 301777819 /nfs/dbraw/zinc/77/78/19/301777819.db2.gz NJTCODOVUNETAA-ZDUSSCGKSA-N 1 0 315.373 2.936 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@H]1CC[NH2+]C1 ZINC000561264787 301930866 /nfs/dbraw/zinc/93/08/66/301930866.db2.gz RLTMBPDEBGYCKI-ZDUSSCGKSA-N 1 0 316.336 2.594 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000562968376 302019121 /nfs/dbraw/zinc/01/91/21/302019121.db2.gz ZEUBWQVXHMBNOA-DNRSYURNSA-N 1 0 320.389 2.767 20 5 DFBDRO C[C@@H]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000563003136 302024430 /nfs/dbraw/zinc/02/44/30/302024430.db2.gz PVKDCFIAVWXSEH-OLZOCXBDSA-N 1 0 305.378 2.949 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000288357897 302039286 /nfs/dbraw/zinc/03/92/86/302039286.db2.gz KNOFFZIPDBAZOD-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564118877 302119729 /nfs/dbraw/zinc/11/97/29/302119729.db2.gz SKDRNSUXWOCNEI-MCIONIFRSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000564816291 302160850 /nfs/dbraw/zinc/16/08/50/302160850.db2.gz BVCXXAYPJIWJHY-MGPQQGTHSA-N 1 0 319.405 2.846 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000565039084 302187444 /nfs/dbraw/zinc/18/74/44/302187444.db2.gz WZFPCGZACAFNKV-KBPBESRZSA-N 1 0 317.389 2.603 20 5 DFBDRO CC(C)[C@@H](CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566788689 302312105 /nfs/dbraw/zinc/31/21/05/302312105.db2.gz MYVDZKHSOBXSHW-CVEARBPZSA-N 1 0 306.406 2.770 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000567367160 302354556 /nfs/dbraw/zinc/35/45/56/302354556.db2.gz WRXVIJWHIVIUAN-CHWSQXEVSA-N 1 0 322.409 2.696 20 5 DFBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000567689744 302379991 /nfs/dbraw/zinc/37/99/91/302379991.db2.gz PWHFCYFWBHBJDU-KFWWJZLASA-N 1 0 322.405 2.893 20 5 DFBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CC[NH2+]C1 ZINC000567864298 302394422 /nfs/dbraw/zinc/39/44/22/302394422.db2.gz XDZLZXZOBAGWNX-AWEZNQCLSA-N 1 0 318.402 2.512 20 5 DFBDRO [NH3+]Cc1ccc(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)cc1 ZINC000569242957 302507494 /nfs/dbraw/zinc/50/74/94/302507494.db2.gz FCIPLIXOBSWFRN-UHFFFAOYSA-N 1 0 312.373 2.939 20 5 DFBDRO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000569540843 302523603 /nfs/dbraw/zinc/52/36/03/302523603.db2.gz TVHPFKGWFMNVGK-QWHCGFSZSA-N 1 0 321.421 2.791 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000569976661 302549172 /nfs/dbraw/zinc/54/91/72/302549172.db2.gz SQMSXGUPNMNWFD-JTQLQIEISA-N 1 0 308.382 2.742 20 5 DFBDRO COC(C)(C)C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572993222 302688015 /nfs/dbraw/zinc/68/80/15/302688015.db2.gz TYDZAZNDNOLBDE-LBPRGKRZSA-N 1 0 323.393 2.717 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cccc(Cl)c2[N+](=O)[O-])CCCCC1 ZINC000237841055 303359401 /nfs/dbraw/zinc/35/94/01/303359401.db2.gz ZIOWBNZBCNPXPW-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO [NH3+]C[C@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000044559655 303420141 /nfs/dbraw/zinc/42/01/41/303420141.db2.gz XWXKHVMYAPJBTK-SNVBAGLBSA-N 1 0 314.183 2.675 20 5 DFBDRO COCCO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000179359969 316008616 /nfs/dbraw/zinc/00/86/16/316008616.db2.gz WDCGVDQCJTXBDS-BBRMVZONSA-N 1 0 308.378 2.783 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180397684 316032747 /nfs/dbraw/zinc/03/27/47/316032747.db2.gz VJQMCLCKVMJEQE-NSHDSACASA-N 1 0 317.389 2.550 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(C)cc1 ZINC000181679323 316066871 /nfs/dbraw/zinc/06/68/71/316066871.db2.gz ZUUCCEZBKGRORE-MRXNPFEDSA-N 1 0 315.373 2.806 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182942340 316124371 /nfs/dbraw/zinc/12/43/71/316124371.db2.gz MCAMLKNJZOJOKE-BBRMVZONSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000183098211 316130065 /nfs/dbraw/zinc/13/00/65/316130065.db2.gz AXSTUQXRPKHSBB-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccccc3)CCCC2)c1 ZINC000183535880 316145276 /nfs/dbraw/zinc/14/52/76/316145276.db2.gz HFVAGZDFQANCFX-UHFFFAOYSA-N 1 0 300.362 2.850 20 5 DFBDRO Cn1cc(C[NH2+]C[C@@H]2CC23CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418091947 316681895 /nfs/dbraw/zinc/68/18/95/316681895.db2.gz HGJTZAKFVPYRKF-AWEZNQCLSA-N 1 0 312.373 2.885 20 5 DFBDRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433168106 316884737 /nfs/dbraw/zinc/88/47/37/316884737.db2.gz QHEGCNUUDYJHRE-CQSZACIVSA-N 1 0 319.405 2.822 20 5 DFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)N(C)C ZINC000449558416 317044072 /nfs/dbraw/zinc/04/40/72/317044072.db2.gz XXWWMMOYWRWLBW-LBPRGKRZSA-N 1 0 303.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)c(F)c1 ZINC000449558106 317044566 /nfs/dbraw/zinc/04/45/66/317044566.db2.gz VUTHZIUQLRNAOL-LALPHHSUSA-N 1 0 308.353 2.717 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000449558866 317044626 /nfs/dbraw/zinc/04/46/26/317044626.db2.gz XDDIFUDHRMMAIK-OWCLPIDISA-N 1 0 304.390 2.886 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453452945 317184960 /nfs/dbraw/zinc/18/49/60/317184960.db2.gz SOFYYSHAJIKUHO-QEJZJMRPSA-N 1 0 317.389 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)CC1CCCCC1 ZINC000485857948 317339403 /nfs/dbraw/zinc/33/94/03/317339403.db2.gz WDNDOEXWBNBHJJ-UHFFFAOYSA-N 1 0 322.405 2.848 20 5 DFBDRO Cc1c(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000574683840 318033116 /nfs/dbraw/zinc/03/31/16/318033116.db2.gz ZEMBXHNNJYUDAY-GFCCVEGCSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000574875314 318046560 /nfs/dbraw/zinc/04/65/60/318046560.db2.gz XZCRQDAROROHKR-ZNMIVQPWSA-N 1 0 320.389 2.599 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000575195340 318069761 /nfs/dbraw/zinc/06/97/61/318069761.db2.gz RUKUPPFJSZCGDV-CYBMUJFWSA-N 1 0 319.405 2.689 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000575329572 318074032 /nfs/dbraw/zinc/07/40/32/318074032.db2.gz LAEQVTVLCQCMCM-BPQIPLTHSA-N 1 0 310.353 2.830 20 5 DFBDRO Cc1cc(N2CC[C@]3(CC[NH2+]C3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575854728 318087511 /nfs/dbraw/zinc/08/75/11/318087511.db2.gz HIGPABWYHOYLMF-KRWDZBQOSA-N 1 0 312.373 2.641 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000575967340 318094436 /nfs/dbraw/zinc/09/44/36/318094436.db2.gz IXXGYKMXZQLRPF-GDBMZVCRSA-N 1 0 302.374 2.904 20 5 DFBDRO CSc1ccc(C(=O)N2CCC(CC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000576408177 318124343 /nfs/dbraw/zinc/12/43/43/318124343.db2.gz NJGOVRTZKTVYJJ-UHFFFAOYSA-N 1 0 323.418 2.518 20 5 DFBDRO Cc1c(CN(C)C/C=C\c2ccccc2[N+](=O)[O-])cnn1C ZINC000576663070 318141416 /nfs/dbraw/zinc/14/14/16/318141416.db2.gz DLKBDLZPACIRIG-VURMDHGXSA-N 1 0 300.362 2.782 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC12CCC(CC1)C2 ZINC000577859569 318222322 /nfs/dbraw/zinc/22/23/22/318222322.db2.gz DUTQVQMGIKCVHG-UUCFBXCCSA-N 1 0 320.389 2.504 20 5 DFBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H]1CC[NH2+]C1 ZINC000578192223 318243728 /nfs/dbraw/zinc/24/37/28/318243728.db2.gz HSYWUFRDNOBVLT-AWEZNQCLSA-N 1 0 301.346 2.649 20 5 DFBDRO CN(C)[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000578378557 318256991 /nfs/dbraw/zinc/25/69/91/318256991.db2.gz IHJPXQZRAFTSOV-HOCLYGCPSA-N 1 0 321.446 2.609 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC(C)(C)C[NH+](C)C ZINC000578683538 318277863 /nfs/dbraw/zinc/27/78/63/318277863.db2.gz ZASRUZSIYVIXQH-UHFFFAOYSA-N 1 0 323.393 2.690 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579070652 318304519 /nfs/dbraw/zinc/30/45/19/318304519.db2.gz WLKWJEFWMBXKML-CYBMUJFWSA-N 1 0 307.394 2.545 20 5 DFBDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579795836 318353903 /nfs/dbraw/zinc/35/39/03/318353903.db2.gz SIXJDEJJZWWUMJ-RRFJBIMHSA-N 1 0 324.425 2.662 20 5 DFBDRO CCn1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1=O ZINC000579859524 318359822 /nfs/dbraw/zinc/35/98/22/318359822.db2.gz VYSFVJAJARUHPN-HNNXBMFYSA-N 1 0 313.357 2.554 20 5 DFBDRO CCOC1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000580252787 318385874 /nfs/dbraw/zinc/38/58/74/318385874.db2.gz IAHDVMCDLYNQEL-UHFFFAOYSA-N 1 0 303.362 2.776 20 5 DFBDRO Cc1ccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183165367 323217287 /nfs/dbraw/zinc/21/72/87/323217287.db2.gz MFMWTUBAEDKOOA-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cc(N[C@H]2CC23CCOCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000387065705 323322031 /nfs/dbraw/zinc/32/20/31/323322031.db2.gz XKFOQFRAMJZADN-INIZCTEOSA-N 1 0 313.357 2.854 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000389734533 323336011 /nfs/dbraw/zinc/33/60/11/323336011.db2.gz SSQUZIJUXKOISL-LDYMZIIASA-N 1 0 314.183 2.767 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000396316683 323352781 /nfs/dbraw/zinc/35/27/81/323352781.db2.gz DTEZJBWFQUMWHU-UHFFFAOYSA-N 1 0 318.295 2.920 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581246860 323496444 /nfs/dbraw/zinc/49/64/44/323496444.db2.gz RJEDEHZHOZJCRB-RBSFLKMASA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583612159 323887229 /nfs/dbraw/zinc/88/72/29/323887229.db2.gz HYOXBNHPYWKRBK-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO COC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000583716543 323902164 /nfs/dbraw/zinc/90/21/64/323902164.db2.gz HQDPCSRKJYGBGD-MRXNPFEDSA-N 1 0 305.378 2.879 20 5 DFBDRO C[C@H](CCO)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000297454953 533964230 /nfs/dbraw/zinc/96/42/30/533964230.db2.gz XGJOTEZCTXAIDS-XJKSGUPXSA-N 1 0 306.406 2.914 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000317001690 533992871 /nfs/dbraw/zinc/99/28/71/533992871.db2.gz SYDINFWNXIUPPW-GXTWGEPZSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294695411 533997772 /nfs/dbraw/zinc/99/77/72/533997772.db2.gz ISZTYFNRCYPKBB-ZUZCIYMTSA-N 1 0 319.336 2.700 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000302140137 534246977 /nfs/dbraw/zinc/24/69/77/534246977.db2.gz FELBGUZHXQJYOK-SMDDNHRTSA-N 1 0 321.377 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000332004316 534317935 /nfs/dbraw/zinc/31/79/35/534317935.db2.gz YDGZZRLSRXKIKS-CYBMUJFWSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000320409384 534332404 /nfs/dbraw/zinc/33/24/04/534332404.db2.gz XFIHNCCZEHGKPL-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1nc(NCCCC[N@H+]2CCCC[C@H]2C)ncc1[N+](=O)[O-] ZINC000295005269 534488704 /nfs/dbraw/zinc/48/87/04/534488704.db2.gz AMBGQNPVDHLPSK-GFCCVEGCSA-N 1 0 307.398 2.760 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364884799 524907165 /nfs/dbraw/zinc/90/71/65/524907165.db2.gz GXVBLXLLHOUBOQ-SOUVJXGZSA-N 1 0 301.390 2.824 20 5 DFBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365941974 525095512 /nfs/dbraw/zinc/09/55/12/525095512.db2.gz MOHHYAKXERXMJN-JSGCOSHPSA-N 1 0 300.362 2.706 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000158208639 525894310 /nfs/dbraw/zinc/89/43/10/525894310.db2.gz RMIBKTXLBDEYCP-CABCVRRESA-N 1 0 322.405 2.997 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330700180 526670979 /nfs/dbraw/zinc/67/09/79/526670979.db2.gz GQKRDNLVDMNLCS-CVEARBPZSA-N 1 0 306.406 2.866 20 5 DFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470413 536467051 /nfs/dbraw/zinc/46/70/51/536467051.db2.gz SGAQGIJAHATKHM-ZDUSSCGKSA-N 1 0 305.378 2.704 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330701510 526731730 /nfs/dbraw/zinc/73/17/30/526731730.db2.gz HUCLHEZFHXNBGK-JKSUJKDBSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC000292788892 527289272 /nfs/dbraw/zinc/28/92/72/527289272.db2.gz MIQYGPFOZUNLLF-QGZVFWFLSA-N 1 0 317.389 2.720 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365029258 527341070 /nfs/dbraw/zinc/34/10/70/527341070.db2.gz XCZWNQZNRCXAQZ-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000365034182 527356703 /nfs/dbraw/zinc/35/67/03/527356703.db2.gz DCFUCINWZVLFMG-ZDUSSCGKSA-N 1 0 308.353 2.982 20 5 DFBDRO COCCOC[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255626688 536531581 /nfs/dbraw/zinc/53/15/81/536531581.db2.gz BWDQDOZLTKKTLJ-ZDTYVGOBSA-N 1 0 320.389 2.593 20 5 DFBDRO CCOC(=O)c1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)[nH]c1C ZINC000294986685 528170041 /nfs/dbraw/zinc/17/00/41/528170041.db2.gz GSUZQPQOXCRQCO-UHFFFAOYSA-N 1 0 317.345 2.698 20 5 DFBDRO CCOc1cccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000293008015 528662843 /nfs/dbraw/zinc/66/28/43/528662843.db2.gz HZWXVZMNLFVPCV-CQSZACIVSA-N 1 0 319.405 2.916 20 5 DFBDRO CC1=C(C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000361617271 535233811 /nfs/dbraw/zinc/23/38/11/535233811.db2.gz BMTJQSJECGGQHZ-UHFFFAOYSA-N 1 0 303.362 2.966 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355588437 535492396 /nfs/dbraw/zinc/49/23/96/535492396.db2.gz WHMMRFUGHBZSRM-GFCCVEGCSA-N 1 0 324.377 2.625 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354557216 536181116 /nfs/dbraw/zinc/18/11/16/536181116.db2.gz CKKUXPUABSOVFG-VXGBXAGGSA-N 1 0 309.414 2.566 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000353937359 536195185 /nfs/dbraw/zinc/19/51/85/536195185.db2.gz JVITYVROFOZSIK-UHFFFAOYSA-N 1 0 320.393 2.765 20 5 DFBDRO CC[C@H](C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)[NH+](CC)CC ZINC000272868944 210260936 /nfs/dbraw/zinc/26/09/36/210260936.db2.gz ZDRHCMQHQCXLFN-GFCCVEGCSA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278684542 214324542 /nfs/dbraw/zinc/32/45/42/214324542.db2.gz IHRMROGEEUWFIX-PELKAZGASA-N 1 0 304.268 2.881 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC[NH+]1CCCC1 ZINC000318603040 231172818 /nfs/dbraw/zinc/17/28/18/231172818.db2.gz RTPLURMXXLEQQW-UHFFFAOYSA-N 1 0 318.299 2.906 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000317354729 231159639 /nfs/dbraw/zinc/15/96/39/231159639.db2.gz GQYNQMVJANKAEW-LBPRGKRZSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000322122843 231207982 /nfs/dbraw/zinc/20/79/82/231207982.db2.gz RPNCBJXURBCTLN-LSDHHAIUSA-N 1 0 317.389 2.507 20 5 DFBDRO COC(=O)/C=C/c1ccc(N[C@@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000065945376 398351848 /nfs/dbraw/zinc/35/18/48/398351848.db2.gz NXTZVUBSCRFQDO-WMADIVHISA-N 1 0 321.377 2.533 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591918494 398354342 /nfs/dbraw/zinc/35/43/42/398354342.db2.gz SHVVDGAKUOPAKL-CYBMUJFWSA-N 1 0 318.421 2.647 20 5 DFBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229964455 398355730 /nfs/dbraw/zinc/35/57/30/398355730.db2.gz GLQUNXZCRWDXON-LLVKDONJSA-N 1 0 309.757 2.688 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252265 398368228 /nfs/dbraw/zinc/36/82/28/398368228.db2.gz IHQBZVNJLYQUDD-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2cccnc21 ZINC000413183789 295683741 /nfs/dbraw/zinc/68/37/41/295683741.db2.gz ZHTPGLJGFLCOLF-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008350958 398372443 /nfs/dbraw/zinc/37/24/43/398372443.db2.gz MCYAAMCWNAAKBD-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO CCc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000330983716 529595382 /nfs/dbraw/zinc/59/53/82/529595382.db2.gz HVXJXKYUTZEFJC-UHFFFAOYSA-N 1 0 319.405 2.571 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000596271817 398373651 /nfs/dbraw/zinc/37/36/51/398373651.db2.gz IYFUSWDLPIBQIZ-AWEZNQCLSA-N 1 0 308.378 2.729 20 5 DFBDRO Cn1cncc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459358611 299087948 /nfs/dbraw/zinc/08/79/48/299087948.db2.gz BOMOMZUYHGAOTF-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO CC(C)(C)C[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171005 398383855 /nfs/dbraw/zinc/38/38/55/398383855.db2.gz AEMCQTJRYUNZFZ-UHFFFAOYSA-N 1 0 307.350 2.576 20 5 DFBDRO Cc1ccc2c(c1)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090539430 185301602 /nfs/dbraw/zinc/30/16/02/185301602.db2.gz NAQSVMONBVTROB-HNNXBMFYSA-N 1 0 316.361 2.603 20 5 DFBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552691 185302955 /nfs/dbraw/zinc/30/29/55/185302955.db2.gz VUYZQXBROWZWNP-ZFWWWQNUSA-N 1 0 307.394 2.657 20 5 DFBDRO COC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000090650573 185307887 /nfs/dbraw/zinc/30/78/87/185307887.db2.gz WWRYUVKXHQXMMK-CYBMUJFWSA-N 1 0 308.378 2.749 20 5 DFBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000092437683 185318442 /nfs/dbraw/zinc/31/84/42/185318442.db2.gz ANXQVDKHUXOVAX-SOFGYWHQSA-N 1 0 300.362 2.864 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccccc3F)CCC2)c1 ZINC000592145014 398391220 /nfs/dbraw/zinc/39/12/20/398391220.db2.gz SOVFZTAWBCGPDA-UHFFFAOYSA-N 1 0 304.325 2.599 20 5 DFBDRO C[N@H+](CCC(C)(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000592145341 398391001 /nfs/dbraw/zinc/39/10/01/398391001.db2.gz UMHNTJSQHPQJIM-CYBMUJFWSA-N 1 0 310.394 2.703 20 5 DFBDRO C[C@@H]1CC2(C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183237 398397825 /nfs/dbraw/zinc/39/78/25/398397825.db2.gz UFODFUKWXUDLQL-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584697773 398398331 /nfs/dbraw/zinc/39/83/31/398398331.db2.gz RMYWDYYGQGTFNY-DZGCQCFKSA-N 1 0 321.421 2.791 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592184421 398399160 /nfs/dbraw/zinc/39/91/60/398399160.db2.gz POXICLWSKCAGOJ-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537374 199313655 /nfs/dbraw/zinc/31/36/55/199313655.db2.gz FUABHYPKDIHGGJ-BDJLRTHQSA-N 1 0 302.330 2.685 20 5 DFBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592211001 398403253 /nfs/dbraw/zinc/40/32/53/398403253.db2.gz HMRQJHKECZGDQL-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO CN(C(=O)C[N@H+](C)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000299405634 529825515 /nfs/dbraw/zinc/82/55/15/529825515.db2.gz NISNTFWGVONYSZ-UHFFFAOYSA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1cnc(N(CC[NH+](C)C)Cc2ccsc2)c([N+](=O)[O-])c1 ZINC000413451091 295709628 /nfs/dbraw/zinc/70/96/28/295709628.db2.gz KCCFDSQBVDFAPV-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO Cc1cc(NCCO[C@@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596445902 398414437 /nfs/dbraw/zinc/41/44/37/398414437.db2.gz AKXUCYACOIESJE-CQSZACIVSA-N 1 0 323.299 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2c1 ZINC000592356936 398414597 /nfs/dbraw/zinc/41/45/97/398414597.db2.gz MAVGCKFIGTVHQZ-SNVBAGLBSA-N 1 0 300.274 2.816 20 5 DFBDRO C/C(=C/c1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592356891 398414744 /nfs/dbraw/zinc/41/47/44/398414744.db2.gz KZOBFXZUYVFBCC-ASCRHOAZSA-N 1 0 300.318 2.963 20 5 DFBDRO O=[N+]([O-])c1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1NC1CC1 ZINC000592356627 398415062 /nfs/dbraw/zinc/41/50/62/398415062.db2.gz BITLABLDVRXBBJ-GFCCVEGCSA-N 1 0 315.333 2.644 20 5 DFBDRO C[C@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000592357035 398415630 /nfs/dbraw/zinc/41/56/30/398415630.db2.gz OZBXFXVCSJDYOV-UFBFGSQYSA-N 1 0 306.297 2.693 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584830451 398418523 /nfs/dbraw/zinc/41/85/23/398418523.db2.gz RLPJSBVPEWJNSY-IRXDYDNUSA-N 1 0 319.405 2.580 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000254968120 398423536 /nfs/dbraw/zinc/42/35/36/398423536.db2.gz MQQUHVURSUTGAN-BYPUDFOVSA-N 1 0 313.361 2.537 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000254968123 398423631 /nfs/dbraw/zinc/42/36/31/398423631.db2.gz MQQUHVURSUTGAN-OMVNSRBRSA-N 1 0 313.361 2.537 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478719 398424338 /nfs/dbraw/zinc/42/43/38/398424338.db2.gz JUVKHGOEFZAKRA-CYBMUJFWSA-N 1 0 321.425 2.939 20 5 DFBDRO CCc1nn(C)c(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480904 398425125 /nfs/dbraw/zinc/42/51/25/398425125.db2.gz SSVYXUWTZRKNDW-LBPRGKRZSA-N 1 0 321.425 2.710 20 5 DFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000592395465 398421140 /nfs/dbraw/zinc/42/11/40/398421140.db2.gz BRTBAWBBJZXAKK-GBJTYRQASA-N 1 0 324.425 2.662 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@H](O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596469046 398421288 /nfs/dbraw/zinc/42/12/88/398421288.db2.gz ILEWWVREEFVILK-FTJFQDGESA-N 1 0 315.373 2.905 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000067214407 398422910 /nfs/dbraw/zinc/42/29/10/398422910.db2.gz YNDAYVMFJBFBBF-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000413475984 295711952 /nfs/dbraw/zinc/71/19/52/295711952.db2.gz DHIBOVIJIGXLQD-JHJVBQTASA-N 1 0 317.389 2.745 20 5 DFBDRO O=C1[C@@H]([NH+]2CCCCCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374390 398432045 /nfs/dbraw/zinc/43/20/45/398432045.db2.gz YWBQWLXRYQCQGG-HNNXBMFYSA-N 1 0 303.362 2.576 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CCC(C)(C)[NH3+] ZINC000592501049 398435810 /nfs/dbraw/zinc/43/58/10/398435810.db2.gz BHFFYVGFSRNPIS-UHFFFAOYSA-N 1 0 307.394 2.849 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000269773233 398447206 /nfs/dbraw/zinc/44/72/06/398447206.db2.gz CDOMOAOKWYLUMU-HIFRSBDPSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000596561752 398447897 /nfs/dbraw/zinc/44/78/97/398447897.db2.gz HDTGBELQWKZPRK-UHFFFAOYSA-N 1 0 308.357 2.663 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000067648493 398448337 /nfs/dbraw/zinc/44/83/37/398448337.db2.gz AAIAQOVKNFSNKF-UHFFFAOYSA-N 1 0 321.377 2.526 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000026219114 398450654 /nfs/dbraw/zinc/45/06/54/398450654.db2.gz LLKUVJLWQOXLAG-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000026711210 398455612 /nfs/dbraw/zinc/45/56/12/398455612.db2.gz PMKTYXRLJRIXGL-XJKSGUPXSA-N 1 0 316.357 2.685 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027132935 398459221 /nfs/dbraw/zinc/45/92/21/398459221.db2.gz LXUZSOLHVCUDGA-LLVKDONJSA-N 1 0 323.393 2.908 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000089602786 398459439 /nfs/dbraw/zinc/45/94/39/398459439.db2.gz FCHPYUAUQDJORQ-OAHLLOKOSA-N 1 0 305.378 2.568 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000596634876 398466276 /nfs/dbraw/zinc/46/62/76/398466276.db2.gz FPGHNRKJOSAFTK-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO COc1ccc(C[N@H+](C)C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000089923616 398469513 /nfs/dbraw/zinc/46/95/13/398469513.db2.gz HCHVIKUZTNDWDH-UHFFFAOYSA-N 1 0 308.378 2.586 20 5 DFBDRO C[NH+](C)Cc1cc(-c2cc(CO)cc([N+](=O)[O-])c2)ccc1F ZINC000596647038 398470800 /nfs/dbraw/zinc/47/08/00/398470800.db2.gz VRWOILDYQUNECF-UHFFFAOYSA-N 1 0 304.321 2.955 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@](O)(C(F)(F)F)C2)cc1 ZINC000330824697 232095107 /nfs/dbraw/zinc/09/51/07/232095107.db2.gz OJBNLXGGFXJSNS-CYBMUJFWSA-N 1 0 318.295 2.527 20 5 DFBDRO C[N@@H+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000068045507 398474655 /nfs/dbraw/zinc/47/46/55/398474655.db2.gz WYTYVTYAHAUIGI-UHFFFAOYSA-N 1 0 303.284 2.756 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000592773303 398482617 /nfs/dbraw/zinc/48/26/17/398482617.db2.gz UCUZSEMBCSRMQU-HUUCEWRRSA-N 1 0 305.378 2.646 20 5 DFBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000090650964 398490975 /nfs/dbraw/zinc/49/09/75/398490975.db2.gz IPPNGSDAOMHMRD-CYBMUJFWSA-N 1 0 308.378 2.749 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[N@H+](C)C1 ZINC000592830910 398491810 /nfs/dbraw/zinc/49/18/10/398491810.db2.gz HUJZTNIEANFALA-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H]1SC ZINC000459530354 299126854 /nfs/dbraw/zinc/12/68/54/299126854.db2.gz RZRQYVKDAAQNAT-NWANDNLSSA-N 1 0 310.419 2.902 20 5 DFBDRO COc1cccc([C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000304459573 398504316 /nfs/dbraw/zinc/50/43/16/398504316.db2.gz VSGZMHAQUTYFKK-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068443741 398504846 /nfs/dbraw/zinc/50/48/46/398504846.db2.gz JKOQUADEMBMSEL-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO O=C(CC[NH2+]CCc1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000592993899 398516152 /nfs/dbraw/zinc/51/61/52/398516152.db2.gz ATEXGOJKWQIIKG-UHFFFAOYSA-N 1 0 319.386 2.817 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000596867056 398518364 /nfs/dbraw/zinc/51/83/64/398518364.db2.gz PDWKKXXQNWSNDM-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1cncc(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000593019387 398522371 /nfs/dbraw/zinc/52/23/71/398522371.db2.gz GQLJVBGVLBSHCD-UHFFFAOYSA-N 1 0 312.373 2.900 20 5 DFBDRO O=C(CC[N@@H+]1CCC12CCCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000593037687 398527581 /nfs/dbraw/zinc/52/75/81/398527581.db2.gz BDLQDXFBHYGGPC-UHFFFAOYSA-N 1 0 303.362 2.942 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000068800376 398529720 /nfs/dbraw/zinc/52/97/20/398529720.db2.gz RWBBDICSFRCMPU-BQYQJAHWSA-N 1 0 317.389 2.551 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000091481970 398532754 /nfs/dbraw/zinc/53/27/54/398532754.db2.gz WCPKLYLXFMPTEK-OAHLLOKOSA-N 1 0 321.377 2.524 20 5 DFBDRO CC(C)O[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055833 398533089 /nfs/dbraw/zinc/53/30/89/398533089.db2.gz RUGDQQSPXOEOGG-INIZCTEOSA-N 1 0 308.378 2.863 20 5 DFBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000032731303 398537147 /nfs/dbraw/zinc/53/71/47/398537147.db2.gz BFRRIFCPEVPSQO-OLZOCXBDSA-N 1 0 305.378 2.588 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068904344 398537551 /nfs/dbraw/zinc/53/75/51/398537551.db2.gz MMWYVDIYFLTVQI-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000589374628 398549114 /nfs/dbraw/zinc/54/91/14/398549114.db2.gz JORKFQZYIJEXED-UHFFFAOYSA-N 1 0 322.409 2.963 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776423 215135845 /nfs/dbraw/zinc/13/58/45/215135845.db2.gz NIWNRPOWBHNBGD-KBPBESRZSA-N 1 0 308.378 2.599 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@H]3CCC[C@@H]3C2)c1 ZINC000589500080 398557357 /nfs/dbraw/zinc/55/73/57/398557357.db2.gz RADOKXBQEQGWMX-CHWSQXEVSA-N 1 0 304.346 2.613 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000324038343 398561639 /nfs/dbraw/zinc/56/16/39/398561639.db2.gz TVVSWGLRHWJTSB-SJCJKPOMSA-N 1 0 312.373 2.708 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000287001380 219263814 /nfs/dbraw/zinc/26/38/14/219263814.db2.gz QYYCQWPKBAJPRO-WMLDXEAASA-N 1 0 319.405 2.532 20 5 DFBDRO CCc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188765 398567795 /nfs/dbraw/zinc/56/77/95/398567795.db2.gz PJSAIFHEBZGQHY-FRRDWIJNSA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCCSCC3)nc2c1 ZINC000597117069 398570508 /nfs/dbraw/zinc/57/05/08/398570508.db2.gz MGNZNAJSRXVQED-SNVBAGLBSA-N 1 0 306.391 2.846 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593234400 398577686 /nfs/dbraw/zinc/57/76/86/398577686.db2.gz XLJNIOPPKQUIBF-OFQRWUPVSA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287063479 219293222 /nfs/dbraw/zinc/29/32/22/219293222.db2.gz JUHWWDQABWQQCI-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000092650592 398589536 /nfs/dbraw/zinc/58/95/36/398589536.db2.gz QHBYKHUEFAGZBM-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092652164 398590416 /nfs/dbraw/zinc/59/04/16/398590416.db2.gz XLMGMIKCFHARIG-JTQLQIEISA-N 1 0 315.320 2.950 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000459674738 299161898 /nfs/dbraw/zinc/16/18/98/299161898.db2.gz LDJAEWCUUCAZTJ-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597223625 398596817 /nfs/dbraw/zinc/59/68/17/398596817.db2.gz ROJZHWZZVMIKLY-KBPBESRZSA-N 1 0 312.373 2.837 20 5 DFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1(CO)CC1 ZINC000597253429 398608398 /nfs/dbraw/zinc/60/83/98/398608398.db2.gz CZQCACHTTHWWLN-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149093560 186047583 /nfs/dbraw/zinc/04/75/83/186047583.db2.gz HHEDVKCOJREJHN-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698063 398630834 /nfs/dbraw/zinc/63/08/34/398630834.db2.gz MKPNKHQLDIXPLN-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590569159 398632708 /nfs/dbraw/zinc/63/27/08/398632708.db2.gz NMNIPDYRMZXUJG-BXUZGUMPSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000155775667 186111506 /nfs/dbraw/zinc/11/15/06/186111506.db2.gz QYBVIQLGWZGLIN-HNNXBMFYSA-N 1 0 305.378 2.541 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(/C=C(/C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414639873 295810057 /nfs/dbraw/zinc/81/00/57/295810057.db2.gz FWPXQMKRJUJXQL-IEHMKBBKSA-N 1 0 302.334 2.689 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414645505 295811343 /nfs/dbraw/zinc/81/13/43/295811343.db2.gz NXZGBYIHYLGKJI-SECBINFHSA-N 1 0 322.340 2.593 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173323972 186176470 /nfs/dbraw/zinc/17/64/70/186176470.db2.gz HDUPOKJONBRMST-ZDUSSCGKSA-N 1 0 307.394 2.894 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000072873617 398644110 /nfs/dbraw/zinc/64/41/10/398644110.db2.gz ZVQAALZLPODHQC-SRVKXCTJSA-N 1 0 321.377 2.518 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000072895023 398647002 /nfs/dbraw/zinc/64/70/02/398647002.db2.gz WHPFSSXFWRMNBT-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000194286343 186277563 /nfs/dbraw/zinc/27/75/63/186277563.db2.gz JTNFAMMEUURXMW-UHFFFAOYSA-N 1 0 305.378 2.588 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000194290655 186278025 /nfs/dbraw/zinc/27/80/25/186278025.db2.gz BFGUTQVDTXIIQC-UHFFFAOYSA-N 1 0 305.378 2.588 20 5 DFBDRO COc1cc(N(C)CC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000593517318 398650862 /nfs/dbraw/zinc/65/08/62/398650862.db2.gz RYTSSCXNTYUZOB-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ncc1[N+](=O)[O-] ZINC000266846746 186357263 /nfs/dbraw/zinc/35/72/63/186357263.db2.gz PHKGYODIPNBJGP-KGLIPLIRSA-N 1 0 304.394 2.750 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000590693388 398653118 /nfs/dbraw/zinc/65/31/18/398653118.db2.gz URBFFDOZKSGWDV-FZMZJTMJSA-N 1 0 300.362 2.895 20 5 DFBDRO CCc1nn(C)c(NCC[N@H+]2CCCC[C@H]2CC)c1[N+](=O)[O-] ZINC000094158781 398655770 /nfs/dbraw/zinc/65/57/70/398655770.db2.gz YTCLUQLKAYZNFL-GFCCVEGCSA-N 1 0 309.414 2.567 20 5 DFBDRO C[NH2+]CCNCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414823598 295822261 /nfs/dbraw/zinc/82/22/61/295822261.db2.gz IKJFQDGNZMHCMZ-UHFFFAOYSA-N 1 0 314.389 2.672 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@](C)(O)CC2)ccc1[N+](=O)[O-] ZINC000280057971 215343560 /nfs/dbraw/zinc/34/35/60/215343560.db2.gz MMTJYLOWMKCCTB-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCC[NH2+]C3)o2)c1 ZINC000414838683 295824540 /nfs/dbraw/zinc/82/45/40/295824540.db2.gz XDOKVCRZGWIGSG-CYBMUJFWSA-N 1 0 315.373 2.944 20 5 DFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171954954 198013851 /nfs/dbraw/zinc/01/38/51/198013851.db2.gz QKNCLDBVHAGALD-LBPRGKRZSA-N 1 0 323.393 2.940 20 5 DFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171955390 198015254 /nfs/dbraw/zinc/01/52/54/198015254.db2.gz POXIESPXNKUGRX-LBPRGKRZSA-N 1 0 323.393 2.940 20 5 DFBDRO C[NH2+]C[C@@H](C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414842560 295824919 /nfs/dbraw/zinc/82/49/19/295824919.db2.gz PCCHNEXFXWNGSX-GFCCVEGCSA-N 1 0 303.362 2.800 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000459739930 299178254 /nfs/dbraw/zinc/17/82/54/299178254.db2.gz BAOZWOMDKYDAPQ-GJZGRUSLSA-N 1 0 324.352 2.790 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCCOC3)cs2)c1 ZINC000172120034 198041987 /nfs/dbraw/zinc/04/19/87/198041987.db2.gz YMVLHPCLOUTWEJ-GFCCVEGCSA-N 1 0 319.386 2.987 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cc1 ZINC000593653126 398666293 /nfs/dbraw/zinc/66/62/93/398666293.db2.gz UALDINMHVZPPHO-SFHVURJKSA-N 1 0 312.369 2.561 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)nc1 ZINC000590754955 398667295 /nfs/dbraw/zinc/66/72/95/398667295.db2.gz VSTWFINDWKNQOG-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756750 398668405 /nfs/dbraw/zinc/66/84/05/398668405.db2.gz IZARLPGLCSNGIK-ULKVUYOBSA-N 1 0 319.361 2.885 20 5 DFBDRO C[C@@H](CO)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000593677241 398669722 /nfs/dbraw/zinc/66/97/22/398669722.db2.gz VQDVPFDFRXQXQB-SDQPKGBYSA-N 1 0 304.390 2.948 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072492457 191182229 /nfs/dbraw/zinc/18/22/29/191182229.db2.gz RTGJNVWKQXHBDM-LBPRGKRZSA-N 1 0 305.378 2.562 20 5 DFBDRO C[NH+]1CCC(N[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000593703915 398674853 /nfs/dbraw/zinc/67/48/53/398674853.db2.gz RETHXFIVYGQUNB-CYBMUJFWSA-N 1 0 317.311 2.882 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593722813 398677331 /nfs/dbraw/zinc/67/73/31/398677331.db2.gz LUIGNLFZQVWKPU-DOMZBBRYSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000172858109 198159184 /nfs/dbraw/zinc/15/91/84/198159184.db2.gz CMLOEVQPQFSGFB-CHWSQXEVSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172952064 198170410 /nfs/dbraw/zinc/17/04/10/198170410.db2.gz XTVFWRLUUXAFAO-OKILXGFUSA-N 1 0 317.389 2.820 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000172971141 198171792 /nfs/dbraw/zinc/17/17/92/198171792.db2.gz NEJKUGGGFXMYBR-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000051201063 425882678 /nfs/dbraw/zinc/88/26/78/425882678.db2.gz ORGZOQSFRWVNFN-CQSZACIVSA-N 1 0 306.362 2.678 20 5 DFBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173188701 198193720 /nfs/dbraw/zinc/19/37/20/198193720.db2.gz OPNKDVFOFNHWCW-FZMZJTMJSA-N 1 0 306.366 2.541 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173638296 198234524 /nfs/dbraw/zinc/23/45/24/198234524.db2.gz QETWENAMUIJXLY-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000173638837 198234743 /nfs/dbraw/zinc/23/47/43/198234743.db2.gz NTMIBOMACJVVRS-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000174187556 198303575 /nfs/dbraw/zinc/30/35/75/198303575.db2.gz GHUSSHULFDEABQ-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597854801 398704817 /nfs/dbraw/zinc/70/48/17/398704817.db2.gz LWRAVEXXXRCDNG-LLVKDONJSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC1CC[NH2+]CC1 ZINC000593920104 398703708 /nfs/dbraw/zinc/70/37/08/398703708.db2.gz XKPMLLIFYCDHTQ-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000174440047 198335626 /nfs/dbraw/zinc/33/56/26/198335626.db2.gz FOQKVSXDMONATL-INIZCTEOSA-N 1 0 304.346 2.802 20 5 DFBDRO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000174473698 198338716 /nfs/dbraw/zinc/33/87/16/198338716.db2.gz YDBKLXCQPRLRKS-DGCLKSJQSA-N 1 0 320.393 2.850 20 5 DFBDRO O=[N+]([O-])c1cccnc1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000046479006 398708335 /nfs/dbraw/zinc/70/83/35/398708335.db2.gz JUVIKHACYNSQDV-UHFFFAOYSA-N 1 0 312.373 2.850 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2cccc(F)c2)c1 ZINC000174830517 198390329 /nfs/dbraw/zinc/39/03/29/198390329.db2.gz REYCRWTWXJZVFV-OAHLLOKOSA-N 1 0 304.325 2.768 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415295566 295875787 /nfs/dbraw/zinc/87/57/87/295875787.db2.gz LSRGNXXFYKEWOA-ZDUSSCGKSA-N 1 0 320.393 2.804 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415307771 295876330 /nfs/dbraw/zinc/87/63/30/295876330.db2.gz ZDBBGQNVMNRRGR-GFCCVEGCSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925384 398722789 /nfs/dbraw/zinc/72/27/89/398722789.db2.gz ODJINPGMRPKKLJ-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO COC(=O)C1(N(C)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000129602191 283021800 /nfs/dbraw/zinc/02/18/00/283021800.db2.gz PQLPLSBYHHPHPL-UHFFFAOYSA-N 1 0 306.362 2.903 20 5 DFBDRO Cc1cc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000415418729 295882487 /nfs/dbraw/zinc/88/24/87/295882487.db2.gz PFKWKELKXPCPME-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415480232 295886057 /nfs/dbraw/zinc/88/60/57/295886057.db2.gz HBCMDDJRQIJRGJ-GXFFZTMASA-N 1 0 320.393 2.660 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)[C@H](C)O1 ZINC000446078752 297274853 /nfs/dbraw/zinc/27/48/53/297274853.db2.gz HYGOSBINAGTOJU-MCIONIFRSA-N 1 0 308.378 2.861 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415582959 295891921 /nfs/dbraw/zinc/89/19/21/295891921.db2.gz QDSZXSNYIRMQMG-CHWSQXEVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415584227 295891956 /nfs/dbraw/zinc/89/19/56/295891956.db2.gz SFYXAHCNPDIPTK-STQMWFEESA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415573091 295891522 /nfs/dbraw/zinc/89/15/22/295891522.db2.gz BWQUHYRGLSFLIY-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149428 398732478 /nfs/dbraw/zinc/73/24/78/398732478.db2.gz ZLVFUQJWZLUTRB-VXGBXAGGSA-N 1 0 308.357 2.582 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415631352 295895259 /nfs/dbraw/zinc/89/52/59/295895259.db2.gz MLYZCIUEMJNYPP-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCC3)C1)OCCO2 ZINC000591267712 398744182 /nfs/dbraw/zinc/74/41/82/398744182.db2.gz DQLUAPNPDHMUBI-CYBMUJFWSA-N 1 0 318.373 2.988 20 5 DFBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075640128 191505378 /nfs/dbraw/zinc/50/53/78/191505378.db2.gz DVLPYLBRDMKDGT-UHFFFAOYSA-N 1 0 306.366 2.589 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000075836043 191522801 /nfs/dbraw/zinc/52/28/01/191522801.db2.gz VYASUIICYWKPOT-CYBMUJFWSA-N 1 0 309.435 2.964 20 5 DFBDRO CN(C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000591306252 398746844 /nfs/dbraw/zinc/74/68/44/398746844.db2.gz WKBHGFFFJCYBFH-GFCCVEGCSA-N 1 0 320.393 2.718 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)o1 ZINC000591281894 398745528 /nfs/dbraw/zinc/74/55/28/398745528.db2.gz SJIZGRPXISKLFL-RYUDHWBXSA-N 1 0 319.336 2.644 20 5 DFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@@H]1[NH3+] ZINC000591298631 398746291 /nfs/dbraw/zinc/74/62/91/398746291.db2.gz GEGWCTMKUXBJHP-OLZOCXBDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000591349006 398750900 /nfs/dbraw/zinc/75/09/00/398750900.db2.gz HFCISBPMRRZZTJ-RYUDHWBXSA-N 1 0 313.348 2.893 20 5 DFBDRO Cc1c(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000079635749 191957453 /nfs/dbraw/zinc/95/74/53/191957453.db2.gz ZWDUQWCUUVMYHG-GFCCVEGCSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591439045 398761115 /nfs/dbraw/zinc/76/11/15/398761115.db2.gz REWDACAZWUVBHU-TZMCWYRMSA-N 1 0 312.373 2.640 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591440792 398761733 /nfs/dbraw/zinc/76/17/33/398761733.db2.gz NYIXBVRJUMEBQN-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000591446225 398761954 /nfs/dbraw/zinc/76/19/54/398761954.db2.gz UTWTUYYQZQLVEK-WMLDXEAASA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000591446226 398762118 /nfs/dbraw/zinc/76/21/18/398762118.db2.gz UTWTUYYQZQLVEK-YOEHRIQHSA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594195771 398762507 /nfs/dbraw/zinc/76/25/07/398762507.db2.gz JAXQCHPSKOTRQF-HOCLYGCPSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749516 398764004 /nfs/dbraw/zinc/76/40/04/398764004.db2.gz TYVCMLAGJYINGC-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594201739 398764974 /nfs/dbraw/zinc/76/49/74/398764974.db2.gz QOLURUQUJMGYMC-GOEBONIOSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074768090 398765702 /nfs/dbraw/zinc/76/57/02/398765702.db2.gz HTKLUEWEJVATFH-CQSZACIVSA-N 1 0 304.394 2.975 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134211283 283176908 /nfs/dbraw/zinc/17/69/08/283176908.db2.gz LBJIQIUNZGFPDS-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000591752066 398783836 /nfs/dbraw/zinc/78/38/36/398783836.db2.gz SPQAVUILYNRJIO-CQSZACIVSA-N 1 0 322.405 2.895 20 5 DFBDRO Cc1c(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000591763531 398785581 /nfs/dbraw/zinc/78/55/81/398785581.db2.gz WZWHHXUUABJUOG-MRXNPFEDSA-N 1 0 318.348 2.736 20 5 DFBDRO CC1(C)CCC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591742299 398784137 /nfs/dbraw/zinc/78/41/37/398784137.db2.gz FVYXQLHIWNLQRT-OAHLLOKOSA-N 1 0 322.405 2.893 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000237142234 202165101 /nfs/dbraw/zinc/16/51/01/202165101.db2.gz QSCNXLDMEGHYBM-HNNXBMFYSA-N 1 0 319.405 2.795 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000598343458 398796450 /nfs/dbraw/zinc/79/64/50/398796450.db2.gz VQTRLKZNWFMGIG-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276914485 213172399 /nfs/dbraw/zinc/17/23/99/213172399.db2.gz NZFUBGHVZOXZRS-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902522 213163606 /nfs/dbraw/zinc/16/36/06/213163606.db2.gz MAGTUFKWVAETPQ-ZFWWWQNUSA-N 1 0 321.421 2.908 20 5 DFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000276772895 213100112 /nfs/dbraw/zinc/10/01/12/213100112.db2.gz TUTVLFXNPVKNBD-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151448040 283284865 /nfs/dbraw/zinc/28/48/65/283284865.db2.gz VOPNMJZEMKMINQ-JKSUJKDBSA-N 1 0 310.394 2.669 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000151435429 283284559 /nfs/dbraw/zinc/28/45/59/283284559.db2.gz VTYXAVZWHDYYJE-UKRRQHHQSA-N 1 0 310.394 2.587 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594495858 398809348 /nfs/dbraw/zinc/80/93/48/398809348.db2.gz DEHFAVMHBJXGMJ-HSMVNMDESA-N 1 0 301.390 2.797 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594495856 398809434 /nfs/dbraw/zinc/80/94/34/398809434.db2.gz DEHFAVMHBJXGMJ-BFQNTYOBSA-N 1 0 301.390 2.797 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594495346 398809566 /nfs/dbraw/zinc/80/95/66/398809566.db2.gz VLMPTJPZFPITCA-XEZPLFJOSA-N 1 0 301.390 2.799 20 5 DFBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594508607 398812888 /nfs/dbraw/zinc/81/28/88/398812888.db2.gz DNLGJJXORAGKDH-KBXIAJHMSA-N 1 0 321.421 2.743 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594508520 398812922 /nfs/dbraw/zinc/81/29/22/398812922.db2.gz COCOZCVNFPWXDC-APIJFGDWSA-N 1 0 321.421 2.743 20 5 DFBDRO CC(=O)NCC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075647578 398815611 /nfs/dbraw/zinc/81/56/11/398815611.db2.gz WAGJFDIUIJIFLT-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594522477 398815952 /nfs/dbraw/zinc/81/59/52/398815952.db2.gz YQLIJVUAHVAAKT-CABCVRRESA-N 1 0 319.405 2.710 20 5 DFBDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000179663491 199072420 /nfs/dbraw/zinc/07/24/20/199072420.db2.gz OSEKBFYMTCJMLP-CYBMUJFWSA-N 1 0 318.377 2.929 20 5 DFBDRO C[NH+](C)Cc1ccc(NC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000051084661 398816763 /nfs/dbraw/zinc/81/67/63/398816763.db2.gz YTFNWVJSFDHDMB-UHFFFAOYSA-N 1 0 305.359 2.970 20 5 DFBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)nc2sccn21 ZINC000594598033 398827641 /nfs/dbraw/zinc/82/76/41/398827641.db2.gz FYSRZGLFXOUPRT-QWRGUYRKSA-N 1 0 321.406 2.733 20 5 DFBDRO CCC1(O)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075859560 398825407 /nfs/dbraw/zinc/82/54/07/398825407.db2.gz CJRDWUBINMQIOE-UHFFFAOYSA-N 1 0 308.378 2.601 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594604444 398829562 /nfs/dbraw/zinc/82/95/62/398829562.db2.gz ZFCPAYGKPDXRDW-STQMWFEESA-N 1 0 307.398 2.548 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1nc(C)no1 ZINC000594614744 398833984 /nfs/dbraw/zinc/83/39/84/398833984.db2.gz KAAGYUDLHAAUKN-XFFZJAGNSA-N 1 0 302.334 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc(-n2cc(C[NH2+]C3CCCCC3)nn2)cc1 ZINC000594640706 398835440 /nfs/dbraw/zinc/83/54/40/398835440.db2.gz NGEBQMQCBOXNPO-UHFFFAOYSA-N 1 0 301.350 2.598 20 5 DFBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180190582 199128498 /nfs/dbraw/zinc/12/84/98/199128498.db2.gz VILWYQNIFOMVNW-INIZCTEOSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1cc(N(C)CC(C)(C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594693750 398843700 /nfs/dbraw/zinc/84/37/00/398843700.db2.gz SUIDUFJXNRPVBW-UHFFFAOYSA-N 1 0 315.377 2.534 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000594693903 398843754 /nfs/dbraw/zinc/84/37/54/398843754.db2.gz YDGQLFXVYDAECL-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO [NH3+]CC12CC(C1)CN2c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000594698618 398844864 /nfs/dbraw/zinc/84/48/64/398844864.db2.gz OAXHJRYLMDAYMB-UHFFFAOYSA-N 1 0 301.268 2.541 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594712695 398847587 /nfs/dbraw/zinc/84/75/87/398847587.db2.gz VXSYVFWHRHRJDQ-DOMZBBRYSA-N 1 0 308.378 2.687 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594692877 398843379 /nfs/dbraw/zinc/84/33/79/398843379.db2.gz DREYLRACICIUFR-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cs1 ZINC000594739263 398853138 /nfs/dbraw/zinc/85/31/38/398853138.db2.gz QZRSHTWOYOQKAR-HUUCEWRRSA-N 1 0 317.414 2.892 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000052862994 398853262 /nfs/dbraw/zinc/85/32/62/398853262.db2.gz IBSKHFQCAQEXBO-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000594735676 398851806 /nfs/dbraw/zinc/85/18/06/398851806.db2.gz MYWJFOVZZUKDCZ-AWEZNQCLSA-N 1 0 309.435 2.868 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180435290 199158215 /nfs/dbraw/zinc/15/82/15/199158215.db2.gz WPMDHSMLZIBWMQ-STQMWFEESA-N 1 0 305.378 2.504 20 5 DFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000276663621 213031637 /nfs/dbraw/zinc/03/16/37/213031637.db2.gz SCOGUHBYIRDIAC-QGZVFWFLSA-N 1 0 300.358 2.980 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180413174 199155699 /nfs/dbraw/zinc/15/56/99/199155699.db2.gz KANUFHMJCHRRSJ-CYBMUJFWSA-N 1 0 319.405 2.942 20 5 DFBDRO COC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000153006292 283348568 /nfs/dbraw/zinc/34/85/68/283348568.db2.gz NFULHUUFCDZWIQ-GFCCVEGCSA-N 1 0 321.377 2.785 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000076663970 398864689 /nfs/dbraw/zinc/86/46/89/398864689.db2.gz ZHIYDJFGESTXIB-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO C[C@@H]1CN(CCSc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000594896347 398866753 /nfs/dbraw/zinc/86/67/53/398866753.db2.gz WBBZIPRTVOSBTO-PHIMTYICSA-N 1 0 314.382 2.935 20 5 DFBDRO COC(=O)c1cc(NCC[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000076776201 398868830 /nfs/dbraw/zinc/86/88/30/398868830.db2.gz XSFJUGACJWPNQL-LBPRGKRZSA-N 1 0 321.377 2.668 20 5 DFBDRO CC(=O)c1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000076850422 398872805 /nfs/dbraw/zinc/87/28/05/398872805.db2.gz XLRSTSYWTKAOJK-GFCCVEGCSA-N 1 0 305.378 2.941 20 5 DFBDRO Cn1ncc(C2CC2)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000594919272 398871100 /nfs/dbraw/zinc/87/11/00/398871100.db2.gz GWQJMJCEWSGOMI-UHFFFAOYSA-N 1 0 300.362 2.538 20 5 DFBDRO CCc1cccc2cc(C[NH2+]CCn3cc([N+](=O)[O-])cn3)oc21 ZINC000594932036 398875138 /nfs/dbraw/zinc/87/51/38/398875138.db2.gz UVTYYHVFLIDHQE-UHFFFAOYSA-N 1 0 314.345 2.890 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594933662 398875789 /nfs/dbraw/zinc/87/57/89/398875789.db2.gz ATLNCUHZUYDBMM-OIMNJJJWSA-N 1 0 306.362 2.751 20 5 DFBDRO CCOc1ccc([C@@H](C)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000153492200 283370934 /nfs/dbraw/zinc/37/09/34/283370934.db2.gz UOSMFSXVTVBKJL-CYBMUJFWSA-N 1 0 309.410 2.984 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NCc1ccc([N+](=O)[O-])cc1F ZINC000594985218 398886847 /nfs/dbraw/zinc/88/68/47/398886847.db2.gz ZIXODSCBWJESLX-CYBMUJFWSA-N 1 0 309.385 2.944 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cncc(C)n1 ZINC000594993719 398888090 /nfs/dbraw/zinc/88/80/90/398888090.db2.gz FZRZHGZRJQDRKR-MDWZMJQESA-N 1 0 312.373 2.929 20 5 DFBDRO CNC(=O)CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000594997498 398888581 /nfs/dbraw/zinc/88/85/81/398888581.db2.gz XMTXVFURCDLXRW-UHFFFAOYSA-N 1 0 319.405 2.771 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](OC)C2CCCC2)cc1[N+](=O)[O-] ZINC000594993378 398887870 /nfs/dbraw/zinc/88/78/70/398887870.db2.gz DJOLCEXUCLQRKR-INIZCTEOSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC(CO)C3)o2)cc1 ZINC000595000353 398889615 /nfs/dbraw/zinc/88/96/15/398889615.db2.gz FVYXAKZCMHGDTL-UHFFFAOYSA-N 1 0 302.330 2.715 20 5 DFBDRO CC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595003140 398889517 /nfs/dbraw/zinc/88/95/17/398889517.db2.gz FCAQXNBJNHDBET-GFCCVEGCSA-N 1 0 307.394 2.738 20 5 DFBDRO CC[NH+](CC)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005935 398890014 /nfs/dbraw/zinc/89/00/14/398890014.db2.gz GHPKXPJAGANUPZ-CYBMUJFWSA-N 1 0 309.410 2.986 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000468739894 299281581 /nfs/dbraw/zinc/28/15/81/299281581.db2.gz SLNDKNNAEMSKDL-BLMSOEDDSA-N 1 0 312.373 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)[N@H+](C)C1CC1 ZINC000595012859 398891461 /nfs/dbraw/zinc/89/14/61/398891461.db2.gz PIXJLUKBNKNVOM-RYUDHWBXSA-N 1 0 307.394 2.737 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000595009209 398890738 /nfs/dbraw/zinc/89/07/38/398890738.db2.gz FQAIAHWVMUBXQP-KBPBESRZSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@@H](C)O)cc1[N+](=O)[O-] ZINC000595009634 398890876 /nfs/dbraw/zinc/89/08/76/398890876.db2.gz ZDNAZSZLBUGICB-PXAZEXFGSA-N 1 0 316.357 2.815 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cscn1 ZINC000595018367 398892601 /nfs/dbraw/zinc/89/26/01/398892601.db2.gz NDUIBZKDBWRVSM-JTQLQIEISA-N 1 0 307.375 2.953 20 5 DFBDRO [NH3+][C@@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000598913899 398892987 /nfs/dbraw/zinc/89/29/87/398892987.db2.gz RUKWOYRLNFZRMR-VXGBXAGGSA-N 1 0 324.768 2.640 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000595030206 398895341 /nfs/dbraw/zinc/89/53/41/398895341.db2.gz YPINTUDLXYIJNA-WWGRRREGSA-N 1 0 321.421 2.983 20 5 DFBDRO COC1CC(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595047638 398897172 /nfs/dbraw/zinc/89/71/72/398897172.db2.gz DKOWOJYSBKDIAH-WUCCLRPBSA-N 1 0 322.409 2.680 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000595052282 398898320 /nfs/dbraw/zinc/89/83/20/398898320.db2.gz WQTOJUPUHIYCDJ-FRRDWIJNSA-N 1 0 308.378 2.927 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000595052283 398898327 /nfs/dbraw/zinc/89/83/27/398898327.db2.gz WQTOJUPUHIYCDJ-RWMBFGLXSA-N 1 0 308.378 2.927 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595065870 398901426 /nfs/dbraw/zinc/90/14/26/398901426.db2.gz WFOLLBNOVBRMSV-SDNTUTLCSA-N 1 0 322.405 2.812 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000595069148 398901824 /nfs/dbraw/zinc/90/18/24/398901824.db2.gz NCSNBGJQWNWIRA-BZPMIXESSA-N 1 0 315.377 2.803 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595087928 398903366 /nfs/dbraw/zinc/90/33/66/398903366.db2.gz GBCFSTOCABSRRZ-SWLSCSKDSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595088394 398904125 /nfs/dbraw/zinc/90/41/25/398904125.db2.gz BQIJOCHYPIHIIY-DAXOMENPSA-N 1 0 304.390 2.809 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+]2C2CCCC2)c(F)c1 ZINC000598998076 398905630 /nfs/dbraw/zinc/90/56/30/398905630.db2.gz LXAQTTPCQDUKLN-OAHLLOKOSA-N 1 0 307.369 2.840 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000595228743 398911555 /nfs/dbraw/zinc/91/15/55/398911555.db2.gz JYQRXJOLKIURPS-MFKMUULPSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595257944 398913649 /nfs/dbraw/zinc/91/36/49/398913649.db2.gz DJYBASSFEMMEJY-TZMCWYRMSA-N 1 0 305.378 2.574 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066620 398916277 /nfs/dbraw/zinc/91/62/77/398916277.db2.gz TVSHSCQMMGCRGV-SMDDNHRTSA-N 1 0 313.348 2.975 20 5 DFBDRO CN(C[C@H]1CCC[C@@H]1O)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058268 398914507 /nfs/dbraw/zinc/91/45/07/398914507.db2.gz GUCBSHRSJKCLBT-DOMZBBRYSA-N 1 0 301.346 2.740 20 5 DFBDRO CC[C@@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595269223 398914864 /nfs/dbraw/zinc/91/48/64/398914864.db2.gz QYDPACDMCUADMM-HUUCEWRRSA-N 1 0 322.409 2.719 20 5 DFBDRO C[C@@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187906788 200174771 /nfs/dbraw/zinc/17/47/71/200174771.db2.gz QVQSKJIEEMYJPC-CYBMUJFWSA-N 1 0 305.378 2.680 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCC3CCC3)CC2)cn1 ZINC000595290799 398916809 /nfs/dbraw/zinc/91/68/09/398916809.db2.gz ZUEVSADSFSDMIQ-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000188101815 200194123 /nfs/dbraw/zinc/19/41/23/200194123.db2.gz LGAJRMBGMIAAJY-HSRYQADGSA-N 1 0 318.373 2.739 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000237595257 202296138 /nfs/dbraw/zinc/29/61/38/202296138.db2.gz ZKIOUNUHZKUHEI-ZDUSSCGKSA-N 1 0 307.394 2.990 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599093457 398920141 /nfs/dbraw/zinc/92/01/41/398920141.db2.gz TWAJTVAFGADUGN-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595309928 398921208 /nfs/dbraw/zinc/92/12/08/398921208.db2.gz ZVQLXJOAPYQEMA-JTQLQIEISA-N 1 0 310.325 2.507 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000595331088 398923029 /nfs/dbraw/zinc/92/30/29/398923029.db2.gz NNZNZJQSANOJMP-ZDUSSCGKSA-N 1 0 307.369 2.652 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319960 398921906 /nfs/dbraw/zinc/92/19/06/398921906.db2.gz UWJXKWWTQMJDTN-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@H]1CN(c2c(Br)cccc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599110088 398922436 /nfs/dbraw/zinc/92/24/36/398922436.db2.gz GAZGSRCLVUODGT-DTORHVGOSA-N 1 0 314.183 2.544 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595326277 398922650 /nfs/dbraw/zinc/92/26/50/398922650.db2.gz ZFVAAVIHIJKYFI-ZDUSSCGKSA-N 1 0 322.336 2.509 20 5 DFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595336932 398923389 /nfs/dbraw/zinc/92/33/89/398923389.db2.gz IOYQMYFPCIWGNQ-GFCCVEGCSA-N 1 0 318.352 2.532 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000237822929 202362406 /nfs/dbraw/zinc/36/24/06/202362406.db2.gz QNNQBPJLCJZEEG-SNVBAGLBSA-N 1 0 316.304 2.712 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H](Oc2ccccn2)C1 ZINC000595346184 398925141 /nfs/dbraw/zinc/92/51/41/398925141.db2.gz GGRYXEISJXIZLZ-CQSZACIVSA-N 1 0 317.320 2.782 20 5 DFBDRO C[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CCCC1 ZINC000188799962 200304944 /nfs/dbraw/zinc/30/49/44/200304944.db2.gz IQNICVGLYBMEEY-UHFFFAOYSA-N 1 0 309.341 2.937 20 5 DFBDRO Cc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000237913044 202390348 /nfs/dbraw/zinc/39/03/48/202390348.db2.gz ZWWBMILVNLTECA-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000188832161 200309693 /nfs/dbraw/zinc/30/96/93/200309693.db2.gz BEICDVLGXMMARN-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1cc(N(C)CC2(C)COC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599143958 398928103 /nfs/dbraw/zinc/92/81/03/398928103.db2.gz AQTRBLNSVVIMQQ-UHFFFAOYSA-N 1 0 301.346 2.924 20 5 DFBDRO Cc1noc(C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595373964 398928690 /nfs/dbraw/zinc/92/86/90/398928690.db2.gz UHWLDNIGGSYFMU-MEBBXXQBSA-N 1 0 311.382 2.558 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000189014152 200335740 /nfs/dbraw/zinc/33/57/40/200335740.db2.gz CEILBNZZDJRULI-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308387 296008924 /nfs/dbraw/zinc/00/89/24/296008924.db2.gz HSKXAEDJGMDKTP-WMLDXEAASA-N 1 0 317.389 2.573 20 5 DFBDRO CO[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@H]1CCOC1 ZINC000595387021 398930892 /nfs/dbraw/zinc/93/08/92/398930892.db2.gz MRJTZLNSDFQNBS-WMLDXEAASA-N 1 0 320.389 2.611 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC000595387018 398930947 /nfs/dbraw/zinc/93/09/47/398930947.db2.gz MRJTZLNSDFQNBS-PBHICJAKSA-N 1 0 320.389 2.611 20 5 DFBDRO C[N@@H+]1CCCC12CCN(Cc1ccc(F)cc1[N+](=O)[O-])CC2 ZINC000595412800 398933459 /nfs/dbraw/zinc/93/34/59/398933459.db2.gz RLGQARFYIYICJO-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152730045 398933067 /nfs/dbraw/zinc/93/30/67/398933067.db2.gz WEQQWUXVIVWFMQ-STQMWFEESA-N 1 0 303.362 2.574 20 5 DFBDRO CCc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000471812615 299307197 /nfs/dbraw/zinc/30/71/97/299307197.db2.gz SIKBLOHFAPKAAB-UHFFFAOYSA-N 1 0 319.405 2.761 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000417362625 296013970 /nfs/dbraw/zinc/01/39/70/296013970.db2.gz AIIWBUQHCDAGQC-NEPJUHHUSA-N 1 0 313.348 2.893 20 5 DFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417368845 296014385 /nfs/dbraw/zinc/01/43/85/296014385.db2.gz OVOWHDKPOLRHTQ-WWGRRREGSA-N 1 0 317.389 2.606 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000595426756 398936198 /nfs/dbraw/zinc/93/61/98/398936198.db2.gz QLEUUOSMJXUDLG-CQSZACIVSA-N 1 0 308.353 2.982 20 5 DFBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595430688 398936761 /nfs/dbraw/zinc/93/67/61/398936761.db2.gz KMUJGSOKNKZEDU-CQSZACIVSA-N 1 0 323.368 2.648 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417401976 296017179 /nfs/dbraw/zinc/01/71/79/296017179.db2.gz MAPSNSPYSSVJQG-SLEUVZQESA-N 1 0 310.419 2.969 20 5 DFBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)c1[N+](=O)[O-] ZINC000595465762 398944698 /nfs/dbraw/zinc/94/46/98/398944698.db2.gz FUQFIGVMTKUOSP-MGPQQGTHSA-N 1 0 323.393 2.797 20 5 DFBDRO Cc1cc(NC(=O)NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000281276700 216205681 /nfs/dbraw/zinc/20/56/81/216205681.db2.gz BMPTUWGXOUUXEH-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595499068 398950277 /nfs/dbraw/zinc/95/02/77/398950277.db2.gz UQFHMPFTTUJIGZ-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000261937091 283588196 /nfs/dbraw/zinc/58/81/96/283588196.db2.gz UBXUTFZTJVWIAJ-AEGPPILISA-N 1 0 312.373 2.707 20 5 DFBDRO Cn1cnc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000595519740 398956109 /nfs/dbraw/zinc/95/61/09/398956109.db2.gz CADFTHHNKYIRQF-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C[C@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000275944502 212594063 /nfs/dbraw/zinc/59/40/63/212594063.db2.gz YZFPOJDKHBXVLS-ZDUSSCGKSA-N 1 0 319.405 2.742 20 5 DFBDRO Cc1noc(C[N@@H+]2CCCc3ccccc3CC2)c1[N+](=O)[O-] ZINC000595519349 398955552 /nfs/dbraw/zinc/95/55/52/398955552.db2.gz GGKYVDVTAHYCHY-UHFFFAOYSA-N 1 0 301.346 2.882 20 5 DFBDRO COC(=O)CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599338859 398956414 /nfs/dbraw/zinc/95/64/14/398956414.db2.gz HXXFFWYZYILVNT-UHFFFAOYSA-N 1 0 306.362 2.903 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000595528447 398957283 /nfs/dbraw/zinc/95/72/83/398957283.db2.gz YGPIDVQXGFFJDE-CYBMUJFWSA-N 1 0 317.345 2.971 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000595536125 398959341 /nfs/dbraw/zinc/95/93/41/398959341.db2.gz MQKBWWTYYJRGOR-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078507037 398961523 /nfs/dbraw/zinc/96/15/23/398961523.db2.gz FKJNKSYUNKGKNE-MRXNPFEDSA-N 1 0 312.373 2.701 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000192747070 200933939 /nfs/dbraw/zinc/93/39/39/200933939.db2.gz FQBROHPPUUAIBC-HUUCEWRRSA-N 1 0 305.378 2.694 20 5 DFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[C@H]1C ZINC000292865674 223281336 /nfs/dbraw/zinc/28/13/36/223281336.db2.gz AQTQEYVFGFQOBL-OPRDCNLKSA-N 1 0 311.769 2.915 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194027190 201164786 /nfs/dbraw/zinc/16/47/86/201164786.db2.gz MTGXSJGDAQMSCT-OWCLPIDISA-N 1 0 302.374 2.685 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194026818 201165938 /nfs/dbraw/zinc/16/59/38/201165938.db2.gz PUAOXHKETMFLMA-FVQBIDKESA-N 1 0 318.373 2.651 20 5 DFBDRO CC1(C)CC(C[NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000599438301 398982209 /nfs/dbraw/zinc/98/22/09/398982209.db2.gz VDLHXSITHCMVOC-UHFFFAOYSA-N 1 0 304.394 2.548 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194462893 201231337 /nfs/dbraw/zinc/23/13/37/201231337.db2.gz FWLNDMFKJNFVDV-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H](NC(=O)CCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000194588678 201256870 /nfs/dbraw/zinc/25/68/70/201256870.db2.gz QHAWBHBUSLEKCY-LBPRGKRZSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000194643940 201267449 /nfs/dbraw/zinc/26/74/49/201267449.db2.gz FCMRHLBLKREFKQ-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194678934 201271483 /nfs/dbraw/zinc/27/14/83/201271483.db2.gz SLIICZQVBSKEAW-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000194724243 201279103 /nfs/dbraw/zinc/27/91/03/201279103.db2.gz MLMYIXHQHBQYRD-NEPJUHHUSA-N 1 0 314.345 2.668 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608349 398997061 /nfs/dbraw/zinc/99/70/61/398997061.db2.gz OAQRDQHBLURVBL-ZIAGYGMSSA-N 1 0 315.377 2.578 20 5 DFBDRO COCCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599506514 398997588 /nfs/dbraw/zinc/99/75/88/398997588.db2.gz FEFLGUUCAUKDJV-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@@H](CO)C3CCC3)co2)cc1 ZINC000595616249 399003190 /nfs/dbraw/zinc/00/31/90/399003190.db2.gz LXLLRNMDAODRCF-HNNXBMFYSA-N 1 0 317.345 2.500 20 5 DFBDRO Cc1c(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1C ZINC000090887795 192941899 /nfs/dbraw/zinc/94/18/99/192941899.db2.gz LAZXZPPWHBPJMT-MRXNPFEDSA-N 1 0 314.389 2.748 20 5 DFBDRO CC[C@@H](NC(=O)N[C@@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417848782 296057817 /nfs/dbraw/zinc/05/78/17/296057817.db2.gz KVUWKTSTWLGUDH-SWLSCSKDSA-N 1 0 322.409 2.863 20 5 DFBDRO C[C@@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000248030122 202713434 /nfs/dbraw/zinc/71/34/34/202713434.db2.gz QCTRRTKDFZCCKT-YDHLFZDLSA-N 1 0 319.405 2.798 20 5 DFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600229521 399013235 /nfs/dbraw/zinc/01/32/35/399013235.db2.gz UXLNSOAKQKHIKT-INIZCTEOSA-N 1 0 317.389 2.732 20 5 DFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000600229562 399013252 /nfs/dbraw/zinc/01/32/52/399013252.db2.gz VXDPKBGEPQWPAO-GFCCVEGCSA-N 1 0 323.418 2.793 20 5 DFBDRO CCOc1cc(N2CC[NH+](C[C@H]3C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000475485932 299348245 /nfs/dbraw/zinc/34/82/45/299348245.db2.gz JNXGMBICLSCJRS-ZIAGYGMSSA-N 1 0 319.405 2.772 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275451493 212341923 /nfs/dbraw/zinc/34/19/23/212341923.db2.gz XVSJXRXUVCLIAL-CYBMUJFWSA-N 1 0 318.421 2.731 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595643316 399016490 /nfs/dbraw/zinc/01/64/90/399016490.db2.gz XJMMZGDFUJPZKF-LBPRGKRZSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599602899 399027066 /nfs/dbraw/zinc/02/70/66/399027066.db2.gz APDZIXKBADJSSC-OAHLLOKOSA-N 1 0 320.393 2.673 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000599622406 399031864 /nfs/dbraw/zinc/03/18/64/399031864.db2.gz CDGLCAOQZAVEBV-DRNSDYETSA-N 1 0 305.334 2.638 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000418105678 296078797 /nfs/dbraw/zinc/07/87/97/296078797.db2.gz BIKKBUDQOSIBSS-AITUWYQGSA-N 1 0 302.330 2.858 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000599622405 399032588 /nfs/dbraw/zinc/03/25/88/399032588.db2.gz CDGLCAOQZAVEBV-AMDHYVTDSA-N 1 0 305.334 2.638 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255092997 283852089 /nfs/dbraw/zinc/85/20/89/283852089.db2.gz HZMUMMWELBZJEB-XFXZXTDPSA-N 1 0 319.405 2.846 20 5 DFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1F ZINC000595695539 399039280 /nfs/dbraw/zinc/03/92/80/399039280.db2.gz ZDLTVFGTTMJHAW-HNNXBMFYSA-N 1 0 306.341 2.917 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCC[C@H]21 ZINC000599648543 399043521 /nfs/dbraw/zinc/04/35/21/399043521.db2.gz AAPIJKLJZDPKTQ-XHSDSOJGSA-N 1 0 318.373 2.758 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595701114 399044520 /nfs/dbraw/zinc/04/45/20/399044520.db2.gz PWHFWUBJPCWGLG-PBHICJAKSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CCCF)CC1 ZINC000599671197 399054730 /nfs/dbraw/zinc/05/47/30/399054730.db2.gz OINIZOSHWKQZHQ-CQSZACIVSA-N 1 0 309.385 2.941 20 5 DFBDRO CCC(O)(CC)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599673660 399054813 /nfs/dbraw/zinc/05/48/13/399054813.db2.gz SUNAIVSINMYAGS-UHFFFAOYSA-N 1 0 310.394 2.847 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600471215 399058551 /nfs/dbraw/zinc/05/85/51/399058551.db2.gz JVVPVWXIZRWDSN-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600474584 399058671 /nfs/dbraw/zinc/05/86/71/399058671.db2.gz ZISHCUWWUZPSHR-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599681404 399060729 /nfs/dbraw/zinc/06/07/29/399060729.db2.gz QDCSBPYGTGSZBL-XGWLTEMNSA-N 1 0 320.389 2.727 20 5 DFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000595765810 399075737 /nfs/dbraw/zinc/07/57/37/399075737.db2.gz OZERTWWGEAXWJQ-CYBMUJFWSA-N 1 0 321.377 2.710 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H](C)O ZINC000595772790 399078655 /nfs/dbraw/zinc/07/86/55/399078655.db2.gz VDDOIHZUPWKXBM-SWLSCSKDSA-N 1 0 308.378 2.727 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000294874137 284018297 /nfs/dbraw/zinc/01/82/97/284018297.db2.gz PNKMTSONDBPUBP-SNVBAGLBSA-N 1 0 311.769 2.510 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785791 399085732 /nfs/dbraw/zinc/08/57/32/399085732.db2.gz GOWMXIIVEZJJJH-OLZOCXBDSA-N 1 0 309.366 2.672 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000092253460 193180342 /nfs/dbraw/zinc/18/03/42/193180342.db2.gz TVEVAJJLSAUZAJ-RZIFZGNASA-N 1 0 303.406 2.882 20 5 DFBDRO Cc1nn(C)c(NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000079927361 399098126 /nfs/dbraw/zinc/09/81/26/399098126.db2.gz ATAVMIDRHRBTKX-CHWSQXEVSA-N 1 0 323.441 2.807 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000338335146 284100510 /nfs/dbraw/zinc/10/05/10/284100510.db2.gz USPJSPGQRKLWFY-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000595826969 399101504 /nfs/dbraw/zinc/10/15/04/399101504.db2.gz BNPRAPDDWDWBJC-DZGCQCFKSA-N 1 0 320.389 2.850 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261706678 203097972 /nfs/dbraw/zinc/09/79/72/203097972.db2.gz IWOABDDLWKDTFB-GDBMZVCRSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000261734907 203105204 /nfs/dbraw/zinc/10/52/04/203105204.db2.gz RPFALIQCXYATDI-BNOWGMLFSA-N 1 0 303.362 2.762 20 5 DFBDRO Cc1ccc(CC(C)(C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000419339533 296135816 /nfs/dbraw/zinc/13/58/16/296135816.db2.gz URVUPAZLPUZCGK-UHFFFAOYSA-N 1 0 302.378 2.711 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3ccon3)CC2)c1 ZINC000595839427 399107788 /nfs/dbraw/zinc/10/77/88/399107788.db2.gz XUWFCDDVTXSHCF-UHFFFAOYSA-N 1 0 317.345 2.841 20 5 DFBDRO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849070 399112484 /nfs/dbraw/zinc/11/24/84/399112484.db2.gz DWSRUBUPEYSROP-KGLIPLIRSA-N 1 0 319.405 2.892 20 5 DFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595857736 399114846 /nfs/dbraw/zinc/11/48/46/399114846.db2.gz NVOBWHTYFWYQIL-YHWZYXNKSA-N 1 0 303.362 2.796 20 5 DFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595857604 399114998 /nfs/dbraw/zinc/11/49/98/399114998.db2.gz MCRLIMIYRFNRPA-HUORLRHWSA-N 1 0 320.389 2.597 20 5 DFBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000595867080 399117133 /nfs/dbraw/zinc/11/71/33/399117133.db2.gz KORDHCCVOMNOJK-SMDDNHRTSA-N 1 0 305.378 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705776 399120517 /nfs/dbraw/zinc/12/05/17/399120517.db2.gz AFZSVHWNTSDPMM-CVEARBPZSA-N 1 0 301.390 2.846 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710578 296146492 /nfs/dbraw/zinc/14/64/92/296146492.db2.gz LYHHSJZOMMDYSZ-QWHCGFSZSA-N 1 0 306.410 2.702 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000262790355 203404689 /nfs/dbraw/zinc/40/46/89/203404689.db2.gz DBCNMDFQSSJNGM-ONGXEEELSA-N 1 0 319.386 2.680 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600727582 399126731 /nfs/dbraw/zinc/12/67/31/399126731.db2.gz XUMBQQBDIZMCIJ-AAEUAGOBSA-N 1 0 317.311 2.554 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1 ZINC000094371912 193366707 /nfs/dbraw/zinc/36/67/07/193366707.db2.gz PMJSYWQKZJSRJI-UKRRQHHQSA-N 1 0 308.403 2.739 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906612 399130528 /nfs/dbraw/zinc/13/05/28/399130528.db2.gz MBUBPCZSMPXRIH-CABCVRRESA-N 1 0 321.421 2.698 20 5 DFBDRO CS[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000340752137 284210394 /nfs/dbraw/zinc/21/03/94/284210394.db2.gz IURXWZDIWMDNEU-STQMWFEESA-N 1 0 315.826 2.730 20 5 DFBDRO CC1(C)C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595911840 399133472 /nfs/dbraw/zinc/13/34/72/399133472.db2.gz ZKRRJQGHIPLREZ-MRXNPFEDSA-N 1 0 300.362 2.706 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746361 399134067 /nfs/dbraw/zinc/13/40/67/399134067.db2.gz RXGJVLUBLMAHKU-XYPHTWIQSA-N 1 0 303.406 2.896 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420119248 296158963 /nfs/dbraw/zinc/15/89/63/296158963.db2.gz NJIKJZSVTXODRF-SECBINFHSA-N 1 0 303.284 2.850 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420166555 296160188 /nfs/dbraw/zinc/16/01/88/296160188.db2.gz IRCNTZAQLVZVRY-SNVBAGLBSA-N 1 0 304.375 2.516 20 5 DFBDRO Cc1cc(N2CCC[NH2+]CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420169255 296160333 /nfs/dbraw/zinc/16/03/33/296160333.db2.gz QISKSKDYUBMCDE-UHFFFAOYSA-N 1 0 303.284 2.722 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420170343 296160417 /nfs/dbraw/zinc/16/04/17/296160417.db2.gz MXDMKVWSQKWVPC-LLVKDONJSA-N 1 0 316.336 2.594 20 5 DFBDRO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420176598 296160646 /nfs/dbraw/zinc/16/06/46/296160646.db2.gz QKIQERKWONLMEA-CQSZACIVSA-N 1 0 312.373 2.974 20 5 DFBDRO C[NH2+][C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420162124 296159927 /nfs/dbraw/zinc/15/99/27/296159927.db2.gz KEYARXXMPPDEER-NSHDSACASA-N 1 0 304.375 2.516 20 5 DFBDRO Cc1cc(NCC[C@@H]2CC[NH2+]C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420184224 296161031 /nfs/dbraw/zinc/16/10/31/296161031.db2.gz IDROOHOPWRPDEN-LBPRGKRZSA-N 1 0 300.362 2.863 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000420185568 296161101 /nfs/dbraw/zinc/16/11/01/296161101.db2.gz LAQYEGJBYDQMSL-LBPRGKRZSA-N 1 0 309.366 2.557 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420186646 296161197 /nfs/dbraw/zinc/16/11/97/296161197.db2.gz MFYRYPVRLBLWBD-VXGBXAGGSA-N 1 0 300.362 2.707 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000420207379 296162395 /nfs/dbraw/zinc/16/23/95/296162395.db2.gz QOMAEHOZGOUSHB-LLVKDONJSA-N 1 0 309.366 2.619 20 5 DFBDRO Cc1cc(N[C@H]2CCC[C@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420197650 296161712 /nfs/dbraw/zinc/16/17/12/296161712.db2.gz MHVOSCXHSBLDMH-AAEUAGOBSA-N 1 0 300.362 2.991 20 5 DFBDRO Cc1cc(N[C@H]2CCC[C@@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420197660 296161714 /nfs/dbraw/zinc/16/17/14/296161714.db2.gz MHVOSCXHSBLDMH-YPMHNXCESA-N 1 0 300.362 2.991 20 5 DFBDRO CN(C)CC[N@H+](C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000341037682 284231908 /nfs/dbraw/zinc/23/19/08/284231908.db2.gz LMLMBQQOGYXKHE-UHFFFAOYSA-N 1 0 314.817 2.544 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@@H](C)C[NH2+]1 ZINC000420231353 296164073 /nfs/dbraw/zinc/16/40/73/296164073.db2.gz JSVYCJBAKATSGI-MNOVXSKESA-N 1 0 318.402 2.905 20 5 DFBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCC[NH2+]C1 ZINC000420225686 296163685 /nfs/dbraw/zinc/16/36/85/296163685.db2.gz FAJJNIPXYXTQMN-CQSZACIVSA-N 1 0 315.320 2.998 20 5 DFBDRO Cc1cc(-c2cc([N+](=O)[O-])ccc2CCO)cc(C)c1C[NH3+] ZINC000600790673 399148334 /nfs/dbraw/zinc/14/83/34/399148334.db2.gz BYEAREZBPBPCBJ-UHFFFAOYSA-N 1 0 300.358 2.872 20 5 DFBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264582551 204009318 /nfs/dbraw/zinc/00/93/18/204009318.db2.gz JZQLPUNALUTQLY-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)nc1-c1ccccc1 ZINC000420253735 296166064 /nfs/dbraw/zinc/16/60/64/296166064.db2.gz BSBVMVYCZWVHCP-LSDHHAIUSA-N 1 0 324.384 2.845 20 5 DFBDRO [NH3+]CC1(c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CCOCC1 ZINC000600789379 399146431 /nfs/dbraw/zinc/14/64/31/399146431.db2.gz ROCYQHJZTNFWTP-UHFFFAOYSA-N 1 0 313.357 2.664 20 5 DFBDRO [NH3+]C[C@@H](CO)Cc1cccc(-c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000600789165 399146442 /nfs/dbraw/zinc/14/64/42/399146442.db2.gz IBAOUHAZDSDDSJ-LBPRGKRZSA-N 1 0 304.321 2.511 20 5 DFBDRO [NH3+]C[C@H](CO)Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000600788147 399146460 /nfs/dbraw/zinc/14/64/60/399146460.db2.gz CJODTCYKXMPSRG-GFCCVEGCSA-N 1 0 304.321 2.511 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080464231 399150364 /nfs/dbraw/zinc/15/03/64/399150364.db2.gz VVGPNVLCUWHPON-QWHCGFSZSA-N 1 0 303.362 2.716 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000420262349 296166869 /nfs/dbraw/zinc/16/68/69/296166869.db2.gz RDVWFZQUDVLOKN-HAQNSBGRSA-N 1 0 304.394 2.740 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000596015184 399148925 /nfs/dbraw/zinc/14/89/25/399148925.db2.gz ZPYLGKNQDFDYRH-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420270441 296167920 /nfs/dbraw/zinc/16/79/20/296167920.db2.gz YWKPKRCVRKBLGD-IUCAKERBSA-N 1 0 316.188 2.947 20 5 DFBDRO Cc1cc(N[C@H]2CC[C@@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420265647 296167316 /nfs/dbraw/zinc/16/73/16/296167316.db2.gz FBGBKYJJSBFDBG-NEPJUHHUSA-N 1 0 300.362 2.991 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1[NH3+] ZINC000420268061 296167516 /nfs/dbraw/zinc/16/75/16/296167516.db2.gz DMWUGCMVMKTAMN-GXFFZTMASA-N 1 0 316.336 2.579 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420284351 296169048 /nfs/dbraw/zinc/16/90/48/296169048.db2.gz UONNXOMMYPUCOM-SCZZXKLOSA-N 1 0 303.284 2.705 20 5 DFBDRO CCC[C@@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000264860657 204216639 /nfs/dbraw/zinc/21/66/39/204216639.db2.gz ONXCIFZZYBJQDX-CQSZACIVSA-N 1 0 318.320 2.837 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420292499 296170152 /nfs/dbraw/zinc/17/01/52/296170152.db2.gz WPNAWDCNKRJALZ-RYUDHWBXSA-N 1 0 321.377 2.619 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420293394 296170240 /nfs/dbraw/zinc/17/02/40/296170240.db2.gz XUAPXBWBDGIQMC-DTWKUNHWSA-N 1 0 318.299 2.938 20 5 DFBDRO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(F)F ZINC000420291534 296170276 /nfs/dbraw/zinc/17/02/76/296170276.db2.gz VRWKLQFZJKQICB-SSDOTTSWSA-N 1 0 311.235 2.591 20 5 DFBDRO COc1cc(OCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000596072139 399163425 /nfs/dbraw/zinc/16/34/25/399163425.db2.gz XEKFMXGXBVZDEW-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000341696611 284276662 /nfs/dbraw/zinc/27/66/62/284276662.db2.gz JZHINAOXSLHZIQ-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282466821 217016785 /nfs/dbraw/zinc/01/67/85/217016785.db2.gz KLELXWGRFCIKDS-CYBMUJFWSA-N 1 0 321.421 2.762 20 5 DFBDRO Cc1nn(C)c(N[C@H](C)C[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000271745507 209176770 /nfs/dbraw/zinc/17/67/70/209176770.db2.gz AUDIJKMSQYCYAD-GFCCVEGCSA-N 1 0 317.393 2.569 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000596082114 399166904 /nfs/dbraw/zinc/16/69/04/399166904.db2.gz GMIBLQDDIBLJEU-LLVKDONJSA-N 1 0 310.785 2.708 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc2[C@H]1O ZINC000282492403 217038237 /nfs/dbraw/zinc/03/82/37/217038237.db2.gz PYPVQEQAQGUBBZ-ZWKOTPCHSA-N 1 0 312.369 2.727 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747751 399175143 /nfs/dbraw/zinc/17/51/43/399175143.db2.gz AVMFLNOLOOQNBI-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO O=c1[nH]ccc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000596118516 399179684 /nfs/dbraw/zinc/17/96/84/399179684.db2.gz AOCRQXLTYRGMCA-UHFFFAOYSA-N 1 0 308.382 2.764 20 5 DFBDRO Cc1c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413069 296187946 /nfs/dbraw/zinc/18/79/46/296187946.db2.gz ZNJWRHYAJJIUFT-PBHICJAKSA-N 1 0 303.406 2.867 20 5 DFBDRO Cc1c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413072 296188021 /nfs/dbraw/zinc/18/80/21/296188021.db2.gz ZNJWRHYAJJIUFT-YOEHRIQHSA-N 1 0 303.406 2.867 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000600951796 399185230 /nfs/dbraw/zinc/18/52/30/399185230.db2.gz HWEJGFSLXIBNSQ-HTQZYQBOSA-N 1 0 309.313 2.620 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600952930 399185236 /nfs/dbraw/zinc/18/52/36/399185236.db2.gz UOXZYRDGXAGCIL-RKDXNWHRSA-N 1 0 321.274 2.697 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288326330 220086716 /nfs/dbraw/zinc/08/67/16/220086716.db2.gz JEZOQIWJUYWMHV-NXEZZACHSA-N 1 0 321.406 2.884 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000600962196 399188483 /nfs/dbraw/zinc/18/84/83/399188483.db2.gz WHDAEDLBKAAGIU-OCCSQVGLSA-N 1 0 312.373 2.688 20 5 DFBDRO COCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000282817531 217272074 /nfs/dbraw/zinc/27/20/74/217272074.db2.gz RPVNAZHDVBQWKC-ZDUSSCGKSA-N 1 0 318.377 2.597 20 5 DFBDRO COc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156392 399194857 /nfs/dbraw/zinc/19/48/57/399194857.db2.gz OVCFSSJEJLUNJJ-NEPJUHHUSA-N 1 0 305.378 2.949 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342523679 284357379 /nfs/dbraw/zinc/35/73/79/284357379.db2.gz KQVNDDYKRIQBOB-LBPRGKRZSA-N 1 0 308.382 2.837 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000063615532 399197910 /nfs/dbraw/zinc/19/79/10/399197910.db2.gz MXYLNCPNNDSIQK-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000600998535 399198941 /nfs/dbraw/zinc/19/89/41/399198941.db2.gz WQRALIZXAGWGNW-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000063778370 399207864 /nfs/dbraw/zinc/20/78/64/399207864.db2.gz BKXUIWBLMKLOPB-UHFFFAOYSA-N 1 0 319.405 2.931 20 5 DFBDRO CO[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000293698974 223657310 /nfs/dbraw/zinc/65/73/10/223657310.db2.gz LWSIJFUWXSSWJG-RDJZCZTQSA-N 1 0 304.390 2.931 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC000601115775 399231952 /nfs/dbraw/zinc/23/19/52/399231952.db2.gz CCZOQBAUAHXTSN-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000601120492 399233281 /nfs/dbraw/zinc/23/32/81/399233281.db2.gz JFDZSWKHATVSHD-ZDUSSCGKSA-N 1 0 308.357 2.584 20 5 DFBDRO Cn1cnnc1[C@H]1CCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601135177 399237340 /nfs/dbraw/zinc/23/73/40/399237340.db2.gz BEQXFIDLISPCEY-OAHLLOKOSA-N 1 0 324.344 2.613 20 5 DFBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601153639 399242684 /nfs/dbraw/zinc/24/26/84/399242684.db2.gz RSDGXLRVEDWZKK-QGZVFWFLSA-N 1 0 318.348 2.817 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3O)o2)cc1 ZINC000601156650 399244178 /nfs/dbraw/zinc/24/41/78/399244178.db2.gz UXHOKIDUFHVPDP-GJZGRUSLSA-N 1 0 302.330 2.858 20 5 DFBDRO C[C@H]1C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1C ZINC000267641137 206190964 /nfs/dbraw/zinc/19/09/64/206190964.db2.gz IVLVAQDGIRFZPK-QWRGUYRKSA-N 1 0 302.334 2.733 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](CC(F)F)c2ccccc2)n1 ZINC000420990914 296221048 /nfs/dbraw/zinc/22/10/48/296221048.db2.gz HAGOJYDZFSSALV-LBPRGKRZSA-N 1 0 310.304 2.777 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000601215665 399256109 /nfs/dbraw/zinc/25/61/09/399256109.db2.gz ARPQHUOMXMBRJE-UHFFFAOYSA-N 1 0 304.394 2.835 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3CCC[C@H]31)OCCO2 ZINC000614662864 399257689 /nfs/dbraw/zinc/25/76/89/399257689.db2.gz FOUZXXOMYPGINS-DGCLKSJQSA-N 1 0 304.346 2.740 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3CCC[C@@H]31)OCCO2 ZINC000614662866 399257813 /nfs/dbraw/zinc/25/78/13/399257813.db2.gz FOUZXXOMYPGINS-YPMHNXCESA-N 1 0 304.346 2.740 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3ccsc3[N+](=O)[O-])cn2)CC1 ZINC000601224839 399258658 /nfs/dbraw/zinc/25/86/58/399258658.db2.gz BMHJJQZHLBFHRW-UHFFFAOYSA-N 1 0 307.379 2.863 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000601238151 399261977 /nfs/dbraw/zinc/26/19/77/399261977.db2.gz SAUVZALFMBDIMF-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291245 399271244 /nfs/dbraw/zinc/27/12/44/399271244.db2.gz INHBCMIXCZFJET-LUYZLQTOSA-N 1 0 304.390 2.667 20 5 DFBDRO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601294374 399272148 /nfs/dbraw/zinc/27/21/48/399272148.db2.gz NIQXHKRFFIVENN-GFCCVEGCSA-N 1 0 324.377 2.604 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)(F)F ZINC000601299815 399272778 /nfs/dbraw/zinc/27/27/78/399272778.db2.gz BWKNHIOVBPYEEX-CKLFPEKLSA-N 1 0 318.295 2.874 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601298295 399272544 /nfs/dbraw/zinc/27/25/44/399272544.db2.gz HDADVILDJDQNPG-BXKDBHETSA-N 1 0 318.320 2.660 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)(F)F ZINC000601299814 399272811 /nfs/dbraw/zinc/27/28/11/399272811.db2.gz BWKNHIOVBPYEEX-AQUOVQTQSA-N 1 0 318.295 2.874 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000601301363 399273513 /nfs/dbraw/zinc/27/35/13/399273513.db2.gz YWXLRAKHIKNEJQ-NRUUGDAUSA-N 1 0 320.311 2.817 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601300664 399273353 /nfs/dbraw/zinc/27/33/53/399273353.db2.gz IXDLPUHXUZRERW-SBMIAAHKSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000601300235 399273859 /nfs/dbraw/zinc/27/38/59/399273859.db2.gz GJNDKIYPOGDCIP-AUTRQRHGSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268109296 206462554 /nfs/dbraw/zinc/46/25/54/206462554.db2.gz GHBYECQPAVHSGU-FZMZJTMJSA-N 1 0 320.393 2.625 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000421362903 296248421 /nfs/dbraw/zinc/24/84/21/296248421.db2.gz OHCLKUOQAVJHMB-SXIRTYMMSA-N 1 0 304.390 2.948 20 5 DFBDRO CC(C)(C)CCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000614904894 399280216 /nfs/dbraw/zinc/28/02/16/399280216.db2.gz YIPOZCAOYMPVPH-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421374428 296249955 /nfs/dbraw/zinc/24/99/55/296249955.db2.gz OUKRMNLBJYGZGN-YFCVBGDOSA-N 1 0 302.374 2.987 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000421557226 296265617 /nfs/dbraw/zinc/26/56/17/296265617.db2.gz QWSNIRDTJQNBNP-AGUYFDCRSA-N 1 0 317.389 2.567 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601561533 399300173 /nfs/dbraw/zinc/30/01/73/399300173.db2.gz AOZQQKYQKILJRQ-GFCCVEGCSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608899568 399300541 /nfs/dbraw/zinc/30/05/41/399300541.db2.gz ATBQORAEUNQBKS-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO COc1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1[N+](=O)[O-] ZINC000608982468 399302325 /nfs/dbraw/zinc/30/23/25/399302325.db2.gz KOZLXGYVNQAYGG-UHFFFAOYSA-N 1 0 312.329 2.770 20 5 DFBDRO C[C@@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609194171 399308947 /nfs/dbraw/zinc/30/89/47/399308947.db2.gz AMDDNTBYPXJSIH-CQSZACIVSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000042584895 183287516 /nfs/dbraw/zinc/28/75/16/183287516.db2.gz ISPFOIJIRKLFCZ-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609386584 399316656 /nfs/dbraw/zinc/31/66/56/399316656.db2.gz WWAAYCLHPJARJC-CQSZACIVSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609386233 399316689 /nfs/dbraw/zinc/31/66/89/399316689.db2.gz NNITUIGITJOABL-AWEZNQCLSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609541010 399321949 /nfs/dbraw/zinc/32/19/49/399321949.db2.gz SXCWVQWFCWBMJD-XJKSGUPXSA-N 1 0 317.389 2.743 20 5 DFBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000609540924 399322012 /nfs/dbraw/zinc/32/20/12/399322012.db2.gz RWJBDQACTHLMPX-UKRRQHHQSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609553263 399322647 /nfs/dbraw/zinc/32/26/47/399322647.db2.gz LMRMRDRMQNVQFE-AWEZNQCLSA-N 1 0 320.393 2.898 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000102573595 193899252 /nfs/dbraw/zinc/89/92/52/193899252.db2.gz GYTUFRBNWYZNGV-UHFFFAOYSA-N 1 0 308.382 2.755 20 5 DFBDRO C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)O ZINC000609707883 399330311 /nfs/dbraw/zinc/33/03/11/399330311.db2.gz KKKYEYFLRACOPT-JTQLQIEISA-N 1 0 321.402 2.967 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421778399 296275099 /nfs/dbraw/zinc/27/50/99/296275099.db2.gz GCYNZSQJCKRHOS-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000609877869 399334786 /nfs/dbraw/zinc/33/47/86/399334786.db2.gz QATVVYFILDNGHK-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000104364534 194002448 /nfs/dbraw/zinc/00/24/48/194002448.db2.gz OIMLHDNTIIVKJE-VIFPVBQESA-N 1 0 314.183 2.769 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000619430982 399344460 /nfs/dbraw/zinc/34/44/60/399344460.db2.gz ZSBFCRQIRIEBAN-ZYHUDNBSSA-N 1 0 304.350 2.518 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000273957536 211211185 /nfs/dbraw/zinc/21/11/85/211211185.db2.gz GBFVJVJZWIPHOK-STQMWFEESA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284695811 218136772 /nfs/dbraw/zinc/13/67/72/218136772.db2.gz IFDGOBLYLTWMBP-ZFWWWQNUSA-N 1 0 306.362 2.617 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000619501277 399354399 /nfs/dbraw/zinc/35/43/99/399354399.db2.gz OHZLGUVTMGXZQT-IYBDPMFKSA-N 1 0 324.384 2.558 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCC(F)(F)F)OCCO2 ZINC000610344878 399358318 /nfs/dbraw/zinc/35/83/18/399358318.db2.gz KEVAFGKNUGDMEV-UHFFFAOYSA-N 1 0 320.267 2.798 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000105347755 194099296 /nfs/dbraw/zinc/09/92/96/194099296.db2.gz YCXBVMQYDYATFY-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000284873591 218216480 /nfs/dbraw/zinc/21/64/80/218216480.db2.gz GCKDRCCAYCAVLX-DOTOQJQBSA-N 1 0 313.357 2.918 20 5 DFBDRO CCOc1cccc(N(C)C[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000273844512 211109018 /nfs/dbraw/zinc/10/90/18/211109018.db2.gz IMYPZKGBAPBVNV-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1cc([N+](=O)[O-])c[nH]1 ZINC000619581295 399364641 /nfs/dbraw/zinc/36/46/41/399364641.db2.gz BHOPWORAVQGBGB-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c(F)c1 ZINC000610476212 399371043 /nfs/dbraw/zinc/37/10/43/399371043.db2.gz AITUUPHMVYGCOD-GFCCVEGCSA-N 1 0 304.325 2.837 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000610517613 399375964 /nfs/dbraw/zinc/37/59/64/399375964.db2.gz JWYPHHURVFVQON-DOMZBBRYSA-N 1 0 315.377 2.574 20 5 DFBDRO COC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000615726079 399378135 /nfs/dbraw/zinc/37/81/35/399378135.db2.gz PMWSCQFMHGBIDJ-GXDHUFHOSA-N 1 0 320.389 2.783 20 5 DFBDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285045644 218269818 /nfs/dbraw/zinc/26/98/18/218269818.db2.gz IFSMSDPYYNGVSO-BXUZGUMPSA-N 1 0 313.357 2.831 20 5 DFBDRO CCOC(CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OCC ZINC000285070522 218279526 /nfs/dbraw/zinc/27/95/26/218279526.db2.gz JFIFHGZZJJUALX-NSHDSACASA-N 1 0 311.382 2.617 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585363 399383707 /nfs/dbraw/zinc/38/37/07/399383707.db2.gz MFVMSEVBBFJXSS-SWLSCSKDSA-N 1 0 303.362 2.716 20 5 DFBDRO CC(=O)NC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836104 399387503 /nfs/dbraw/zinc/38/75/03/399387503.db2.gz SFJOLKSWRZXPKC-JLHYYAGUSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285339553 218388682 /nfs/dbraw/zinc/38/86/82/218388682.db2.gz OTKBJOVTQWFMHA-UHFFFAOYSA-N 1 0 302.378 2.664 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000610715235 399396985 /nfs/dbraw/zinc/39/69/85/399396985.db2.gz LAIWUMDFSHPQPY-NSHDSACASA-N 1 0 311.357 2.709 20 5 DFBDRO C[NH+](C)C1CC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000619872591 399397302 /nfs/dbraw/zinc/39/73/02/399397302.db2.gz AWZQMIWDCHFHMG-UHFFFAOYSA-N 1 0 319.386 2.632 20 5 DFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000110974890 194376598 /nfs/dbraw/zinc/37/65/98/194376598.db2.gz SHTANTRDAIVTLD-GFCCVEGCSA-N 1 0 323.393 2.818 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000610765565 399404061 /nfs/dbraw/zinc/40/40/61/399404061.db2.gz WMIARBMJWNPJBW-INIZCTEOSA-N 1 0 313.357 2.781 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CCCCC1 ZINC000422720160 296321476 /nfs/dbraw/zinc/32/14/76/296321476.db2.gz ZVRJUQMLWJOBTP-UHFFFAOYSA-N 1 0 319.405 2.911 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000616121606 399424176 /nfs/dbraw/zinc/42/41/76/399424176.db2.gz OZFGUVYJMZPARG-TZMCWYRMSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000058885350 184130751 /nfs/dbraw/zinc/13/07/51/184130751.db2.gz ASIFNDWBEHBKOB-UHFFFAOYSA-N 1 0 307.394 2.563 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000611084541 399433065 /nfs/dbraw/zinc/43/30/65/399433065.db2.gz CMLINJQEUKHWSO-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602425869 399441034 /nfs/dbraw/zinc/44/10/34/399441034.db2.gz XELVXGLFCBDGOL-UHFFFAOYSA-N 1 0 317.311 2.751 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C(F)F)C2)cc1 ZINC000611179962 399442856 /nfs/dbraw/zinc/44/28/56/399442856.db2.gz OPDBKDYQMZFQBN-NSHDSACASA-N 1 0 300.305 2.951 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249489 399451054 /nfs/dbraw/zinc/45/10/54/399451054.db2.gz NALJGFOZHZZGJW-RYUDHWBXSA-N 1 0 306.362 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCSCC3)C2)nc1 ZINC000602472114 399453495 /nfs/dbraw/zinc/45/34/95/399453495.db2.gz GURXQHXRAFDNHR-CYBMUJFWSA-N 1 0 322.434 2.619 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602474567 399455383 /nfs/dbraw/zinc/45/53/83/399455383.db2.gz YWTBFTKRZCUVHI-QGZVFWFLSA-N 1 0 314.389 2.882 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@@H]3CCCC[C@H]3C1)OCCO2 ZINC000611271999 399455858 /nfs/dbraw/zinc/45/58/58/399455858.db2.gz GWACTSLNFYOQFS-STQMWFEESA-N 1 0 318.373 2.988 20 5 DFBDRO Cc1nc(CC[N@@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)no1 ZINC000269093499 207235428 /nfs/dbraw/zinc/23/54/28/207235428.db2.gz MICSNUNCARJKSF-UHFFFAOYSA-N 1 0 310.741 2.614 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602519818 399467242 /nfs/dbraw/zinc/46/72/42/399467242.db2.gz BGTRTASXDJDNBH-QWHCGFSZSA-N 1 0 306.410 2.983 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000065535711 184362665 /nfs/dbraw/zinc/36/26/65/184362665.db2.gz UGIBXDJWWAGZAF-ZDUSSCGKSA-N 1 0 316.361 2.576 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CCC(O)CC2)c1 ZINC000065750527 184378608 /nfs/dbraw/zinc/37/86/08/184378608.db2.gz OXXMOCCNSHTVNP-UHFFFAOYSA-N 1 0 316.304 2.589 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412832 399473277 /nfs/dbraw/zinc/47/32/77/399473277.db2.gz MBFSGWXPVJZEML-GFCCVEGCSA-N 1 0 313.423 2.593 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066534772 184414045 /nfs/dbraw/zinc/41/40/45/184414045.db2.gz ALQOCUFZFYHTAO-OAHLLOKOSA-N 1 0 319.405 2.534 20 5 DFBDRO CC(C)C([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000611434168 399476254 /nfs/dbraw/zinc/47/62/54/399476254.db2.gz SZRDKKFGUXFLPO-CQSZACIVSA-N 1 0 310.394 2.605 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562921 399476427 /nfs/dbraw/zinc/47/64/27/399476427.db2.gz IJFQHEDVXBMCHO-DOMZBBRYSA-N 1 0 304.394 2.737 20 5 DFBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602559753 399475899 /nfs/dbraw/zinc/47/58/99/399475899.db2.gz QKFFFADWCVAXTM-IUCAKERBSA-N 1 0 306.284 2.720 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]c3ncncc23)cc1[N+](=O)[O-] ZINC000602564679 399477568 /nfs/dbraw/zinc/47/75/68/399477568.db2.gz VUQRWFJCUXVMEG-NSHDSACASA-N 1 0 311.345 2.977 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602575849 399480173 /nfs/dbraw/zinc/48/01/73/399480173.db2.gz HGVXOAFTTZJUJA-HZGVNTEJSA-N 1 0 321.196 2.686 20 5 DFBDRO CC[C@@H](O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573278 399479351 /nfs/dbraw/zinc/47/93/51/399479351.db2.gz AULAIBOYJIIQDK-LLVKDONJSA-N 1 0 306.284 2.864 20 5 DFBDRO C[C@@H](CCO)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602580149 399481813 /nfs/dbraw/zinc/48/18/13/399481813.db2.gz DDRPPLAUSPVUOF-AWEZNQCLSA-N 1 0 306.406 2.916 20 5 DFBDRO CCOc1ncccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602593163 399485745 /nfs/dbraw/zinc/48/57/45/399485745.db2.gz MMVJFKOBENKZMA-UHFFFAOYSA-N 1 0 301.346 2.721 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000602593770 399486244 /nfs/dbraw/zinc/48/62/44/399486244.db2.gz MYAUSPWBYUUURG-YPMHNXCESA-N 1 0 319.405 2.559 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CCCCO3)nc2c1 ZINC000602596104 399486448 /nfs/dbraw/zinc/48/64/48/399486448.db2.gz GWSKPYXVPDLMSK-GFCCVEGCSA-N 1 0 305.334 2.785 20 5 DFBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602597275 399486766 /nfs/dbraw/zinc/48/67/66/399486766.db2.gz ACUCYGPGBSEGBK-IUCAKERBSA-N 1 0 306.284 2.863 20 5 DFBDRO Cn1cc(CCC[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000602598094 399487264 /nfs/dbraw/zinc/48/72/64/399487264.db2.gz AZNSLYAXNKBJKR-UHFFFAOYSA-N 1 0 322.796 2.747 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000611522454 399488034 /nfs/dbraw/zinc/48/80/34/399488034.db2.gz ZZEKYWGJABLTHD-GFCCVEGCSA-N 1 0 306.391 2.998 20 5 DFBDRO Cc1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000611567449 399492672 /nfs/dbraw/zinc/49/26/72/399492672.db2.gz XRTBQUNIZBAZMP-LLVKDONJSA-N 1 0 314.345 2.678 20 5 DFBDRO CC(C)(O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602621772 399493600 /nfs/dbraw/zinc/49/36/00/399493600.db2.gz QZZJBKFPXXXAAQ-UHFFFAOYSA-N 1 0 306.284 2.864 20 5 DFBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602627909 399495459 /nfs/dbraw/zinc/49/54/59/399495459.db2.gz DHYHPWQTIDXJKP-NKWVEPMBSA-N 1 0 323.212 2.932 20 5 DFBDRO CCCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000422801140 296335400 /nfs/dbraw/zinc/33/54/00/296335400.db2.gz DTDGOARXTHMMJD-CQSZACIVSA-N 1 0 319.405 2.932 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3[C@H]3CCCO3)nc2c1 ZINC000602653160 399503844 /nfs/dbraw/zinc/50/38/44/399503844.db2.gz NALIWGLFRRIEQZ-DZGCQCFKSA-N 1 0 317.345 2.879 20 5 DFBDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602657105 399504486 /nfs/dbraw/zinc/50/44/86/399504486.db2.gz WQXONWUIGLOLDO-NSHDSACASA-N 1 0 320.311 2.968 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000422828626 296340259 /nfs/dbraw/zinc/34/02/59/296340259.db2.gz OQBJKIKHQJAMDN-INIZCTEOSA-N 1 0 305.378 2.575 20 5 DFBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C1=CC[N@H+](C)CC1 ZINC000611713527 399510637 /nfs/dbraw/zinc/51/06/37/399510637.db2.gz DHBXZGGALMVQKE-NSHDSACASA-N 1 0 313.361 2.600 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668053 399511257 /nfs/dbraw/zinc/51/12/57/399511257.db2.gz SIDMOAGHQBMQJS-BXUZGUMPSA-N 1 0 318.377 2.508 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422875921 296348726 /nfs/dbraw/zinc/34/87/26/296348726.db2.gz DMKJOMQNXQBRRW-UHFFFAOYSA-N 1 0 307.394 2.767 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCO1 ZINC000119722771 195026020 /nfs/dbraw/zinc/02/60/20/195026020.db2.gz HXTHVOTZWXNRET-CABCVRRESA-N 1 0 322.361 2.509 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422906454 296354439 /nfs/dbraw/zinc/35/44/39/296354439.db2.gz VGPNHWUTKZJSOE-ZDUSSCGKSA-N 1 0 307.394 2.767 20 5 DFBDRO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000295856179 533025141 /nfs/dbraw/zinc/02/51/41/533025141.db2.gz BNLPINSWDFDPOW-FGWVZKOKSA-N 1 0 309.341 2.780 20 5 DFBDRO Cc1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)nc1 ZINC000602689955 399522017 /nfs/dbraw/zinc/52/20/17/399522017.db2.gz ZQLKEEUPQQZYJK-UHFFFAOYSA-N 1 0 312.329 2.772 20 5 DFBDRO COc1cc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1OC ZINC000302165174 533029611 /nfs/dbraw/zinc/02/96/11/533029611.db2.gz RBHMLNNKSDTCKL-UHFFFAOYSA-N 1 0 321.377 2.676 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cn1 ZINC000602701737 399528028 /nfs/dbraw/zinc/52/80/28/399528028.db2.gz FNXAOHOCDGYQEZ-UMVBOHGHSA-N 1 0 316.405 2.737 20 5 DFBDRO COc1cc(NC[C@H](C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000302645920 533035288 /nfs/dbraw/zinc/03/52/88/533035288.db2.gz JDGQUGNSKGFYPZ-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)cn1 ZINC000602705610 399530101 /nfs/dbraw/zinc/53/01/01/399530101.db2.gz MIFJLCRHXBLRCV-UHFFFAOYSA-N 1 0 316.405 2.881 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(CO)CC1 ZINC000602705635 399530239 /nfs/dbraw/zinc/53/02/39/399530239.db2.gz BGVQHMOXDRKLAC-VIFPVBQESA-N 1 0 318.295 2.864 20 5 DFBDRO COc1cc(N2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270182848 208246241 /nfs/dbraw/zinc/24/62/41/208246241.db2.gz NGJCQVQBILKQQH-AWEZNQCLSA-N 1 0 319.405 2.772 20 5 DFBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602709604 399532588 /nfs/dbraw/zinc/53/25/88/399532588.db2.gz GUFZMUJCBVTZLR-JQWIXIFHSA-N 1 0 305.334 2.783 20 5 DFBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602721103 399539032 /nfs/dbraw/zinc/53/90/32/399539032.db2.gz GQRPYCDLKUHXSQ-JTQLQIEISA-N 1 0 305.334 2.641 20 5 DFBDRO Cc1cc(N[C@@H]2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611919021 399544028 /nfs/dbraw/zinc/54/40/28/399544028.db2.gz NBMHDFNHMFPRDW-YPMHNXCESA-N 1 0 301.346 2.589 20 5 DFBDRO C[C@](CO)([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000602732463 399545158 /nfs/dbraw/zinc/54/51/58/399545158.db2.gz POQQCMHEMOSDJU-OAHLLOKOSA-N 1 0 310.419 2.535 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1ccnc1C ZINC000159211171 197336301 /nfs/dbraw/zinc/33/63/01/197336301.db2.gz NSPRIRGPXUUBQV-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288632251 220305941 /nfs/dbraw/zinc/30/59/41/220305941.db2.gz STVVOJNYDQPWTK-YVEFUNNKSA-N 1 0 316.357 2.815 20 5 DFBDRO COC(=O)CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000347664189 285120540 /nfs/dbraw/zinc/12/05/40/285120540.db2.gz PAHPPMIAUUBXBF-DAXSKMNVSA-N 1 0 304.346 2.683 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000602751766 399556471 /nfs/dbraw/zinc/55/64/71/399556471.db2.gz LRPPDMALUBAKJB-AATOQMJSSA-N 1 0 301.390 2.634 20 5 DFBDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158229276 197255160 /nfs/dbraw/zinc/25/51/60/197255160.db2.gz OSELUDRVFYCBFK-CZUORRHYSA-N 1 0 300.358 2.849 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000602777996 399569232 /nfs/dbraw/zinc/56/92/32/399569232.db2.gz AKUAPHWLYRFHMX-INIZCTEOSA-N 1 0 314.389 2.664 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCN1CCC1 ZINC000358342657 285161356 /nfs/dbraw/zinc/16/13/56/285161356.db2.gz FYUKLVRCLGWPJG-GOEBONIOSA-N 1 0 303.406 2.601 20 5 DFBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCn2c(C)ncc2[N+](=O)[O-])o1 ZINC000602784649 399572102 /nfs/dbraw/zinc/57/21/02/399572102.db2.gz VBEOLWKOOPCANF-CYBMUJFWSA-N 1 0 304.350 2.838 20 5 DFBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783309 399572160 /nfs/dbraw/zinc/57/21/60/399572160.db2.gz KRTLXTMRZJKLIH-CHWSQXEVSA-N 1 0 312.439 2.706 20 5 DFBDRO CC[C@](C)([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602792899 399576251 /nfs/dbraw/zinc/57/62/51/399576251.db2.gz MCBMPVYLRXDOEW-AWEZNQCLSA-N 1 0 323.422 2.780 20 5 DFBDRO Cn1cc(C[NH2+][C@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602803850 399581583 /nfs/dbraw/zinc/58/15/83/399581583.db2.gz FCVJCXIBCNTFMC-OAHLLOKOSA-N 1 0 300.362 2.959 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000602808094 399583728 /nfs/dbraw/zinc/58/37/28/399583728.db2.gz WZERBVLPDCYWIK-UHFFFAOYSA-N 1 0 306.341 2.764 20 5 DFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347816759 285187742 /nfs/dbraw/zinc/18/77/42/285187742.db2.gz RFNHDGGQGDBMCP-GFCCVEGCSA-N 1 0 322.409 2.553 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156840983 197144966 /nfs/dbraw/zinc/14/49/66/197144966.db2.gz QRNTZHHIONFNDC-LSDHHAIUSA-N 1 0 319.405 2.551 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1ccnc1 ZINC000156566012 197123938 /nfs/dbraw/zinc/12/39/38/197123938.db2.gz RANWCFNHQSRJHY-CJNGLKHVSA-N 1 0 300.362 2.874 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156428929 197112818 /nfs/dbraw/zinc/11/28/18/197112818.db2.gz DLKIFTVUOXZLHM-CJNGLKHVSA-N 1 0 300.362 2.874 20 5 DFBDRO Cc1ccc(C2([NH2+]Cc3cn(C)nc3[N+](=O)[O-])CCC2)cc1 ZINC000602849607 399600782 /nfs/dbraw/zinc/60/07/82/399600782.db2.gz JYDKZEPICVFXDW-UHFFFAOYSA-N 1 0 300.362 2.806 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000155327377 197044301 /nfs/dbraw/zinc/04/43/01/197044301.db2.gz YNVAPQBKYHODJM-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000423361163 296408577 /nfs/dbraw/zinc/40/85/77/296408577.db2.gz MDHQDJZVDHPBRY-MBNYWOFBSA-N 1 0 307.394 2.642 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153860988 196916050 /nfs/dbraw/zinc/91/60/50/196916050.db2.gz CRIQINGKWWBNAU-LLVKDONJSA-N 1 0 312.801 2.811 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCNCC2(F)F)cccc1[N+](=O)[O-] ZINC000423489903 296421404 /nfs/dbraw/zinc/42/14/04/296421404.db2.gz XXANYWNCHJDDRP-NWDGAFQWSA-N 1 0 313.348 2.799 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000330852181 533218857 /nfs/dbraw/zinc/21/88/57/533218857.db2.gz MERJASYWGHZSJG-GJZGRUSLSA-N 1 0 322.405 2.832 20 5 DFBDRO CC[C@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000602925019 399629294 /nfs/dbraw/zinc/62/92/94/399629294.db2.gz UEXYTVXUERBPIP-HNNXBMFYSA-N 1 0 306.341 2.845 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000289715971 221174869 /nfs/dbraw/zinc/17/48/69/221174869.db2.gz PCIIBQWOHNCNFJ-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO CCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2CC)CC1 ZINC000289765632 221210795 /nfs/dbraw/zinc/21/07/95/221210795.db2.gz KXHFEHJXSMATPE-UHFFFAOYSA-N 1 0 320.393 2.717 20 5 DFBDRO CC[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000289897671 221301113 /nfs/dbraw/zinc/30/11/13/221301113.db2.gz TTYJDXUZQOIPAA-LLVKDONJSA-N 1 0 304.293 2.711 20 5 DFBDRO CC[N@H+](C)Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000289914786 221313935 /nfs/dbraw/zinc/31/39/35/221313935.db2.gz OEWBENHOJZJPPA-UHFFFAOYSA-N 1 0 320.130 2.651 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000289930741 221324612 /nfs/dbraw/zinc/32/46/12/221324612.db2.gz WKGGWDMIJAORIT-ABAIWWIYSA-N 1 0 320.393 2.571 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000289931039 221324669 /nfs/dbraw/zinc/32/46/69/221324669.db2.gz ALLKHPBXCUCYPD-OAHLLOKOSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@@](CO)(NCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000602963538 399641784 /nfs/dbraw/zinc/64/17/84/399641784.db2.gz XSZFZLCTEDQXQC-INIZCTEOSA-N 1 0 322.311 2.870 20 5 DFBDRO Cc1nsc(C)c1CN[C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962783 399641492 /nfs/dbraw/zinc/64/14/92/399641492.db2.gz OYTZLDQQPVTOIL-HNNXBMFYSA-N 1 0 321.402 2.665 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602998173 399655962 /nfs/dbraw/zinc/65/59/62/399655962.db2.gz YMAUOLZLVOCRRT-WPGHFRTFSA-N 1 0 308.353 2.859 20 5 DFBDRO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602967946 399642810 /nfs/dbraw/zinc/64/28/10/399642810.db2.gz VBWLZPKHSPUADZ-KXUCPTDWSA-N 1 0 320.315 2.880 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612580294 399680841 /nfs/dbraw/zinc/68/08/41/399680841.db2.gz NVULQECGVIFFAR-PBHICJAKSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](O)CCc2ccccc2)cc1 ZINC000612606092 399687725 /nfs/dbraw/zinc/68/77/25/399687725.db2.gz IPKDCOCCAIFKBF-GOSISDBHSA-N 1 0 314.385 2.721 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000292880021 533227875 /nfs/dbraw/zinc/22/78/75/533227875.db2.gz BZUIECXQTPMCRW-NSHDSACASA-N 1 0 321.377 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]([NH+]4CCCC4)C3)nc2c1 ZINC000617428821 399699483 /nfs/dbraw/zinc/69/94/83/399699483.db2.gz SYONDBRKOWENFS-ZDUSSCGKSA-N 1 0 315.377 2.536 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423742914 296442979 /nfs/dbraw/zinc/44/29/79/296442979.db2.gz LHDGJMBFJAWKQS-WCQYABFASA-N 1 0 305.378 2.575 20 5 DFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118981136 542569691 /nfs/dbraw/zinc/56/96/91/542569691.db2.gz QZIJCLGMDDFNMO-BXUZGUMPSA-N 1 0 305.378 2.752 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000121964028 195382549 /nfs/dbraw/zinc/38/25/49/195382549.db2.gz HOZAXEJRLNFVFR-UHFFFAOYSA-N 1 0 300.362 2.842 20 5 DFBDRO CSc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000122083271 195397870 /nfs/dbraw/zinc/39/78/70/195397870.db2.gz BSYIBZGNLXEVLT-JQWIXIFHSA-N 1 0 323.418 2.659 20 5 DFBDRO CC[C@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000126377415 195834201 /nfs/dbraw/zinc/83/42/01/195834201.db2.gz NBTCPHNWNNKMRU-CYBMUJFWSA-N 1 0 313.785 2.547 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000603398561 399765314 /nfs/dbraw/zinc/76/53/14/399765314.db2.gz AYGORNFBPWSPRA-UHFFFAOYSA-N 1 0 314.389 2.948 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CSCC[NH2+]2)cc1C(F)(F)F ZINC000603418295 399772057 /nfs/dbraw/zinc/77/20/57/399772057.db2.gz FUJKKUTVIPUVFX-SECBINFHSA-N 1 0 321.324 2.731 20 5 DFBDRO Cc1ccnc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c1[N+](=O)[O-] ZINC000603415547 399771119 /nfs/dbraw/zinc/77/11/19/399771119.db2.gz KPGBUNZKDDIDHZ-HOTGVXAUSA-N 1 0 324.384 2.761 20 5 DFBDRO C[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000275625671 130352016 /nfs/dbraw/zinc/35/20/16/130352016.db2.gz LUATVWRBMQDPPD-GFCCVEGCSA-N 1 0 323.396 2.774 20 5 DFBDRO C[C@@H](NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000617729177 399784468 /nfs/dbraw/zinc/78/44/68/399784468.db2.gz YHGUEIBVSVGNGX-QWHCGFSZSA-N 1 0 319.405 2.545 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C2CCC1CC2 ZINC000603553667 399788732 /nfs/dbraw/zinc/78/87/32/399788732.db2.gz NVUYPNYSTSBUAP-UHFFFAOYSA-N 1 0 319.361 2.559 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000604303565 399835528 /nfs/dbraw/zinc/83/55/28/399835528.db2.gz DYHDUFWTNAIUAA-MGPQQGTHSA-N 1 0 304.394 2.831 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424330626 296502866 /nfs/dbraw/zinc/50/28/66/296502866.db2.gz RYFRGIUBZASSCC-XJKSGUPXSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000604303563 399835703 /nfs/dbraw/zinc/83/57/03/399835703.db2.gz DYHDUFWTNAIUAA-HZSPNIEDSA-N 1 0 304.394 2.831 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000295088249 543030360 /nfs/dbraw/zinc/03/03/60/543030360.db2.gz IZYCAJPFKLOKPQ-MRXNPFEDSA-N 1 0 318.348 2.736 20 5 DFBDRO O=[N+]([O-])c1ncccc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309782910 543065861 /nfs/dbraw/zinc/06/58/61/543065861.db2.gz FLABIDBVDPKGPP-HNNXBMFYSA-N 1 0 312.373 2.924 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000613301996 399844349 /nfs/dbraw/zinc/84/43/49/399844349.db2.gz PVCGADYUSBMBNO-OCCSQVGLSA-N 1 0 320.393 2.673 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492944116 299683933 /nfs/dbraw/zinc/68/39/33/299683933.db2.gz AJQUYXFEMMKTTO-YFHOEESVSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H](O)C(F)(F)F ZINC000349336357 285837681 /nfs/dbraw/zinc/83/76/81/285837681.db2.gz WXXYJWBBZIIMKK-PYEVWLCESA-N 1 0 304.268 2.511 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000152872318 145213336 /nfs/dbraw/zinc/21/33/36/145213336.db2.gz NOZIVEBPVZQOOH-RHSMWYFYSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000170739874 145249831 /nfs/dbraw/zinc/24/98/31/145249831.db2.gz ZSSPJJDUVTWSGW-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+](C2CC2)CC1 ZINC000171844601 145281501 /nfs/dbraw/zinc/28/15/01/145281501.db2.gz VVJVCUWSJRODHJ-UHFFFAOYSA-N 1 0 323.780 2.559 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc1 ZINC000173464130 145344206 /nfs/dbraw/zinc/34/42/06/145344206.db2.gz JNQLTYQTNUCRJC-AWEZNQCLSA-N 1 0 316.336 2.815 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232994511 146018073 /nfs/dbraw/zinc/01/80/73/146018073.db2.gz QMBWQDVMVPUJJJ-MRVPVSSYSA-N 1 0 306.288 2.938 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000232987668 146018586 /nfs/dbraw/zinc/01/85/86/146018586.db2.gz JYXIGGAXHXALFK-QMMMGPOBSA-N 1 0 317.187 2.682 20 5 DFBDRO Cc1sc(C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000237698236 146049947 /nfs/dbraw/zinc/04/99/47/146049947.db2.gz OOQHRZWPHPKQNA-UHFFFAOYSA-N 1 0 311.407 2.746 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000237701707 146050054 /nfs/dbraw/zinc/05/00/54/146050054.db2.gz LWBJVNXPKAQYCK-HNNXBMFYSA-N 1 0 311.341 2.556 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245888209 146107224 /nfs/dbraw/zinc/10/72/24/146107224.db2.gz DYGUYZFZTIGKRN-IUODEOHRSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246640695 146147219 /nfs/dbraw/zinc/14/72/19/146147219.db2.gz JNDLXLJNXNKYKT-ZIAGYGMSSA-N 1 0 315.377 2.660 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(Cl)c1 ZINC000252667765 146222632 /nfs/dbraw/zinc/22/26/32/146222632.db2.gz NNFPNXURNYTHQR-NWDGAFQWSA-N 1 0 311.769 2.523 20 5 DFBDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261752457 146270693 /nfs/dbraw/zinc/27/06/93/146270693.db2.gz OZANLPDCQREYMD-HNNXBMFYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1c(CNC(=O)CC2(C[NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000261888552 146296963 /nfs/dbraw/zinc/29/69/63/146296963.db2.gz NKHIIURLYAMQPO-UHFFFAOYSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]Cc3ccccc32)c(F)c1 ZINC000261983437 146315211 /nfs/dbraw/zinc/31/52/11/146315211.db2.gz AOHQYSNFDCUARC-UHFFFAOYSA-N 1 0 301.321 2.844 20 5 DFBDRO Cc1ccc(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000262007255 146321516 /nfs/dbraw/zinc/32/15/16/146321516.db2.gz RXNGLVQDFUNPEY-BLLLJJGKSA-N 1 0 303.362 2.622 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000262045956 146327657 /nfs/dbraw/zinc/32/76/57/146327657.db2.gz CJFQRIZKXLQOOH-ARFHVFGLSA-N 1 0 303.406 2.995 20 5 DFBDRO [NH3+]C[C@@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000262063790 146328953 /nfs/dbraw/zinc/32/89/53/146328953.db2.gz FGKGMEAKXCSWKK-CQSZACIVSA-N 1 0 303.366 2.791 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000262675031 146381604 /nfs/dbraw/zinc/38/16/04/146381604.db2.gz STLGNUHOTCILOW-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000354371285 147010348 /nfs/dbraw/zinc/01/03/48/147010348.db2.gz GSMAMUHADMWWLU-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354372307 147012371 /nfs/dbraw/zinc/01/23/71/147012371.db2.gz MKLZVIKHGDBJOG-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000354405861 147025480 /nfs/dbraw/zinc/02/54/80/147025480.db2.gz RSEOQVBGAVUXHI-UKRRQHHQSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000354435494 147034633 /nfs/dbraw/zinc/03/46/33/147034633.db2.gz PIQCYJGHNMNZRM-PWSUYJOCSA-N 1 0 311.407 2.601 20 5 DFBDRO C[C@H](O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354843170 147172827 /nfs/dbraw/zinc/17/28/27/147172827.db2.gz UZZJJCVGICECOG-ZDUSSCGKSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000349857378 285957987 /nfs/dbraw/zinc/95/79/87/285957987.db2.gz UNPGWADKGNGBML-HIFRSBDPSA-N 1 0 310.394 2.730 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000355596382 147379344 /nfs/dbraw/zinc/37/93/44/147379344.db2.gz CRHKKIYXWHZPPC-QWHCGFSZSA-N 1 0 320.393 2.816 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000350093018 286003459 /nfs/dbraw/zinc/00/34/59/286003459.db2.gz VKQRVTUPOKHIEQ-LSDHHAIUSA-N 1 0 324.425 2.707 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000358024856 148216935 /nfs/dbraw/zinc/21/69/35/148216935.db2.gz NGWZVSUJEQWSBF-CQSZACIVSA-N 1 0 308.378 2.898 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000358030624 148218819 /nfs/dbraw/zinc/21/88/19/148218819.db2.gz XZNDFCCHHULXNZ-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350259069 286022307 /nfs/dbraw/zinc/02/23/07/286022307.db2.gz YARMQEXBYFNMOW-UHFFFAOYSA-N 1 0 312.341 2.945 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000359103753 148560365 /nfs/dbraw/zinc/56/03/65/148560365.db2.gz UMQXJHCUTYCKGC-OAHLLOKOSA-N 1 0 318.421 2.919 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360990237 149001232 /nfs/dbraw/zinc/00/12/32/149001232.db2.gz JZYKOQDEYAOMGW-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000361054382 149018165 /nfs/dbraw/zinc/01/81/65/149018165.db2.gz BHHFODUGIYWCOR-CYBMUJFWSA-N 1 0 309.414 2.509 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[NH+](C(C)C)C(C)C ZINC000361057576 149019221 /nfs/dbraw/zinc/01/92/21/149019221.db2.gz MPKQDAVYDDHCDN-UHFFFAOYSA-N 1 0 311.430 2.675 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000361437945 149116083 /nfs/dbraw/zinc/11/60/83/149116083.db2.gz RUDALKJVNPXYFT-DZGCQCFKSA-N 1 0 320.389 2.926 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361703195 149196094 /nfs/dbraw/zinc/19/60/94/149196094.db2.gz ZWIQOLTXEXTGQE-OAHLLOKOSA-N 1 0 300.362 2.846 20 5 DFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362029615 149279782 /nfs/dbraw/zinc/27/97/82/149279782.db2.gz ULHBEQHNRGQFCQ-OCCSQVGLSA-N 1 0 314.769 2.532 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2ncsc2c1 ZINC000362564679 149309587 /nfs/dbraw/zinc/30/95/87/149309587.db2.gz NCQZHTWFDUNHFV-SNVBAGLBSA-N 1 0 317.374 2.752 20 5 DFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000362756817 149359699 /nfs/dbraw/zinc/35/96/99/149359699.db2.gz PLYYUOWTHKFKSV-WDEREUQCSA-N 1 0 323.418 2.529 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351502301 286137798 /nfs/dbraw/zinc/13/77/98/286137798.db2.gz ZVJNFDPLHKCYEV-APHBMKBZSA-N 1 0 319.405 2.551 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371331258 150025920 /nfs/dbraw/zinc/02/59/20/150025920.db2.gz GFARFZCGEBRMIC-KADIJHKTSA-N 1 0 302.374 2.966 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371546295 150063312 /nfs/dbraw/zinc/06/33/12/150063312.db2.gz ZICHPSAXRDKMCH-BWTRYIQHSA-N 1 0 301.390 2.634 20 5 DFBDRO C[C@H](CC(N)=O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493155063 299725881 /nfs/dbraw/zinc/72/58/81/299725881.db2.gz VICXJYBIKMZDLE-SJKOYZFVSA-N 1 0 313.357 2.538 20 5 DFBDRO CC(C)OC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166619 150144156 /nfs/dbraw/zinc/14/41/56/150144156.db2.gz JLXYPDORWBGRQG-XJKSGUPXSA-N 1 0 308.378 2.782 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000372195446 150147842 /nfs/dbraw/zinc/14/78/42/150147842.db2.gz GTIZTQDMVROYOX-UHFFFAOYSA-N 1 0 314.389 2.882 20 5 DFBDRO Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000372999503 150214052 /nfs/dbraw/zinc/21/40/52/150214052.db2.gz NCXMCGXLBLBSLY-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000373766634 150254982 /nfs/dbraw/zinc/25/49/82/150254982.db2.gz AAIDICDEAZTUCE-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000374016523 150293442 /nfs/dbraw/zinc/29/34/42/150293442.db2.gz DMCCKYGDHGCXGT-MRXNPFEDSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H]2CCCn3ccnc32)cc1[N+](=O)[O-] ZINC000374148432 150312746 /nfs/dbraw/zinc/31/27/46/150312746.db2.gz YECJKPCQXHITCO-CQSZACIVSA-N 1 0 300.362 2.767 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374468579 150371664 /nfs/dbraw/zinc/37/16/64/150371664.db2.gz JJBLADVRZYAWIF-BXUZGUMPSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374468583 150372291 /nfs/dbraw/zinc/37/22/91/150372291.db2.gz JJBLADVRZYAWIF-SMDDNHRTSA-N 1 0 300.362 2.834 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351824263 286227024 /nfs/dbraw/zinc/22/70/24/286227024.db2.gz FUNVCSNPQNGVIX-CYBMUJFWSA-N 1 0 307.369 2.794 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000295035612 286229720 /nfs/dbraw/zinc/22/97/20/286229720.db2.gz WMNZVJYJSXDVEV-LLVKDONJSA-N 1 0 323.368 2.663 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000427839243 296669741 /nfs/dbraw/zinc/66/97/41/296669741.db2.gz DHDJXIANUGFWSR-CHWSQXEVSA-N 1 0 300.362 2.765 20 5 DFBDRO CC1(C2CC2)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000352192804 286315803 /nfs/dbraw/zinc/31/58/03/286315803.db2.gz XIRYFBMMEUQAKZ-UHFFFAOYSA-N 1 0 317.389 2.706 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352278371 286334711 /nfs/dbraw/zinc/33/47/11/286334711.db2.gz LQTDZJOFIVBWPD-DOMZBBRYSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358200 286352351 /nfs/dbraw/zinc/35/23/51/286352351.db2.gz WKOGDXPYGYCNEP-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352407504 286365604 /nfs/dbraw/zinc/36/56/04/286365604.db2.gz UVVDDGKBAPWCKW-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352417208 286368162 /nfs/dbraw/zinc/36/81/62/286368162.db2.gz YOVPOIQONAULDB-LBPRGKRZSA-N 1 0 308.382 2.837 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541240 286402759 /nfs/dbraw/zinc/40/27/59/286402759.db2.gz VMGVOKONXXIHSH-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CSC[C@H]1C ZINC000352793876 286469827 /nfs/dbraw/zinc/46/98/27/286469827.db2.gz QLVQDENVWUSMCU-RISCZKNCSA-N 1 0 323.418 2.573 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000352888626 286494749 /nfs/dbraw/zinc/49/47/49/286494749.db2.gz VVEDJLVSHOBIEP-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352890861 286495578 /nfs/dbraw/zinc/49/55/78/286495578.db2.gz BDTWJMIJJYVUEN-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C(C)(C)C ZINC000353115800 286554932 /nfs/dbraw/zinc/55/49/32/286554932.db2.gz FGRCELANYVOTRV-HOCLYGCPSA-N 1 0 319.405 2.686 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353125007 286556969 /nfs/dbraw/zinc/55/69/69/286556969.db2.gz ZXKOUUBESNIJCJ-BBRMVZONSA-N 1 0 319.405 2.686 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429448970 296745391 /nfs/dbraw/zinc/74/53/91/296745391.db2.gz LQNUSDJKOPGMRT-ONGXEEELSA-N 1 0 318.320 2.660 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000429678071 296754381 /nfs/dbraw/zinc/75/43/81/296754381.db2.gz ANZWWUMCEDORAM-KGLIPLIRSA-N 1 0 305.378 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000182071879 158001070 /nfs/dbraw/zinc/00/10/70/158001070.db2.gz GEISSGPZEWGSAI-UHFFFAOYSA-N 1 0 309.797 2.776 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)c1 ZINC000246366752 158088245 /nfs/dbraw/zinc/08/82/45/158088245.db2.gz YCDXUYRBGWRNTK-ARFHVFGLSA-N 1 0 322.430 2.988 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000246871796 158103569 /nfs/dbraw/zinc/10/35/69/158103569.db2.gz CZNPULQJNZWBRZ-YWPYICTPSA-N 1 0 307.394 2.939 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247245915 158124316 /nfs/dbraw/zinc/12/43/16/158124316.db2.gz DRCFVPAIQCMCKN-HIFRSBDPSA-N 1 0 318.377 2.685 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000247245930 158125075 /nfs/dbraw/zinc/12/50/75/158125075.db2.gz DRCFVPAIQCMCKN-ZFWWWQNUSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000247497220 158140061 /nfs/dbraw/zinc/14/00/61/158140061.db2.gz USRCIZFKXWJAMT-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000248415524 158174075 /nfs/dbraw/zinc/17/40/75/158174075.db2.gz HZZFGBNYVWQULD-BYCMXARLSA-N 1 0 317.389 2.704 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248667358 158195841 /nfs/dbraw/zinc/19/58/41/158195841.db2.gz PNCNTHFDDOIYBS-NEPJUHHUSA-N 1 0 309.414 2.652 20 5 DFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355162007 158288397 /nfs/dbraw/zinc/28/83/97/158288397.db2.gz KPKJQFGYMUQBRT-AAEUAGOBSA-N 1 0 318.377 2.766 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000356909749 158322344 /nfs/dbraw/zinc/32/23/44/158322344.db2.gz VYRVGICTQURKAJ-CYBMUJFWSA-N 1 0 321.421 2.717 20 5 DFBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357029077 158351984 /nfs/dbraw/zinc/35/19/84/158351984.db2.gz VXTHSBMFBAIYFC-LBPRGKRZSA-N 1 0 305.378 2.678 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC([NH+]2CCCCC2)C1 ZINC000360093568 158436524 /nfs/dbraw/zinc/43/65/24/158436524.db2.gz MZLLSSSEZDQWSZ-UHFFFAOYSA-N 1 0 307.398 2.548 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000360170328 158443706 /nfs/dbraw/zinc/44/37/06/158443706.db2.gz NCWIKBPWMINTSK-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000430809070 296808544 /nfs/dbraw/zinc/80/85/44/296808544.db2.gz COSBOZVHYBLFPW-OLZOCXBDSA-N 1 0 323.393 2.818 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000431554634 296839580 /nfs/dbraw/zinc/83/95/80/296839580.db2.gz DGBOUUNNTOHESZ-JSGCOSHPSA-N 1 0 322.409 2.553 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279766884 287152082 /nfs/dbraw/zinc/15/20/82/287152082.db2.gz SHHJDTZAIZSWJY-AWEZNQCLSA-N 1 0 321.421 2.698 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000054130846 425889445 /nfs/dbraw/zinc/88/94/45/425889445.db2.gz CSVFVMPNZLSFEP-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000132957890 196299710 /nfs/dbraw/zinc/29/97/10/196299710.db2.gz LUVARZPKVZXTKL-LLVKDONJSA-N 1 0 309.366 2.770 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000133306282 196329366 /nfs/dbraw/zinc/32/93/66/196329366.db2.gz FHIWKBXWMNWBEZ-UHFFFAOYSA-N 1 0 323.368 2.727 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCn2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433285922 296904358 /nfs/dbraw/zinc/90/43/58/296904358.db2.gz HORPATDGEZGWQI-OAHLLOKOSA-N 1 0 300.362 2.804 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433304280 296905547 /nfs/dbraw/zinc/90/55/47/296905547.db2.gz MTQQUMGVWFVQRK-GJZGRUSLSA-N 1 0 317.389 2.528 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000296713385 226154402 /nfs/dbraw/zinc/15/44/02/226154402.db2.gz NDWQPJVUBQSUHI-MRXNPFEDSA-N 1 0 314.341 2.956 20 5 DFBDRO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338379 227027316 /nfs/dbraw/zinc/02/73/16/227027316.db2.gz ASGODLPKLOLYHU-HIFRSBDPSA-N 1 0 313.361 2.551 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000299320420 229048525 /nfs/dbraw/zinc/04/85/25/229048525.db2.gz FCGNGRWPRSHVBB-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000299657999 229306779 /nfs/dbraw/zinc/30/67/79/229306779.db2.gz QCEDDIHPNDBOOZ-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302023323 230043543 /nfs/dbraw/zinc/04/35/43/230043543.db2.gz GQQZIEOGZMIVRS-HZSPNIEDSA-N 1 0 321.421 2.865 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])cn1 ZINC000302178048 230144206 /nfs/dbraw/zinc/14/42/06/230144206.db2.gz PIDYOVSXXRPNDB-CZUORRHYSA-N 1 0 312.373 2.922 20 5 DFBDRO CCC(CC)[N@H+](CCOC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000102928465 425931633 /nfs/dbraw/zinc/93/16/33/425931633.db2.gz AJNBKWBFWIRGHJ-UHFFFAOYSA-N 1 0 323.393 2.670 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000177486920 267644298 /nfs/dbraw/zinc/64/42/98/267644298.db2.gz BIXRDIIWEVATEQ-LWLVDVGCSA-N 1 0 317.389 2.597 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641724 267664508 /nfs/dbraw/zinc/66/45/08/267664508.db2.gz CCGNWTCUEXULRB-CYBMUJFWSA-N 1 0 313.357 2.675 20 5 DFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000007816473 425652163 /nfs/dbraw/zinc/65/21/63/425652163.db2.gz NJDGZOAFMBGPIM-INIZCTEOSA-N 1 0 313.357 2.628 20 5 DFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008430822 425668957 /nfs/dbraw/zinc/66/89/57/425668957.db2.gz MYWTWQFXHVUNDR-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000015128912 425779949 /nfs/dbraw/zinc/77/99/49/425779949.db2.gz NDVSYGGNJQXSOE-CQSZACIVSA-N 1 0 300.362 2.575 20 5 DFBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000013555772 425756998 /nfs/dbraw/zinc/75/69/98/425756998.db2.gz SFSXPNBHJRAIBR-UHFFFAOYSA-N 1 0 305.378 2.634 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000038013995 425850092 /nfs/dbraw/zinc/85/00/92/425850092.db2.gz RLCOYVUIMLPONT-SNVBAGLBSA-N 1 0 313.785 2.643 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192909469 268052954 /nfs/dbraw/zinc/05/29/54/268052954.db2.gz YBFMBLAJHYUVLD-LBPRGKRZSA-N 1 0 322.409 2.616 20 5 DFBDRO CSC[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192891512 268053226 /nfs/dbraw/zinc/05/32/26/268053226.db2.gz ZFEGAWBIAOTULJ-SWLSCSKDSA-N 1 0 310.419 2.676 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000194754542 268115062 /nfs/dbraw/zinc/11/50/62/268115062.db2.gz MDRBTKHFSBSKCQ-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000195625047 268136818 /nfs/dbraw/zinc/13/68/18/268136818.db2.gz PHHOUFPXBBJDKU-MCIONIFRSA-N 1 0 319.405 2.691 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000245457846 268164312 /nfs/dbraw/zinc/16/43/12/268164312.db2.gz UOIHMNDDCDZSQO-CZUORRHYSA-N 1 0 317.389 2.822 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000250135628 268168254 /nfs/dbraw/zinc/16/82/54/268168254.db2.gz YAEBVGDJKPULEA-COLVAYQJSA-N 1 0 308.378 2.804 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000263700046 268170800 /nfs/dbraw/zinc/17/08/00/268170800.db2.gz LJGMBFVMDMFMDP-UHFFFAOYSA-N 1 0 321.421 2.778 20 5 DFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)Cc1cccs1 ZINC000270604105 268190915 /nfs/dbraw/zinc/19/09/15/268190915.db2.gz XPJXTLAHIKCYDH-UHFFFAOYSA-N 1 0 321.402 2.729 20 5 DFBDRO C[C@@H](O)C(C)(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000270724218 268207102 /nfs/dbraw/zinc/20/71/02/268207102.db2.gz PCQIHKJBGBQKDT-SNVBAGLBSA-N 1 0 321.402 2.967 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](c2ccsc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000271317797 268248728 /nfs/dbraw/zinc/24/87/28/268248728.db2.gz TZUUIWWDEKVHIC-LBPRGKRZSA-N 1 0 323.422 2.667 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276376271 268261759 /nfs/dbraw/zinc/26/17/59/268261759.db2.gz CQMDWOPSSOKARE-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO C[NH+](C)C1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCOCC1 ZINC000279557000 268268992 /nfs/dbraw/zinc/26/89/92/268268992.db2.gz XCPZNTIXBCSOIF-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)cc1 ZINC000298375015 268314803 /nfs/dbraw/zinc/31/48/03/268314803.db2.gz AWFWOJDVJAEBKC-UHFFFAOYSA-N 1 0 312.373 2.880 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309721278 268335985 /nfs/dbraw/zinc/33/59/85/268335985.db2.gz MIJOCNJWNKYFBW-NEPJUHHUSA-N 1 0 323.393 2.986 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC000309916257 268336716 /nfs/dbraw/zinc/33/67/16/268336716.db2.gz UKDVRRWZBMSKLU-NEPJUHHUSA-N 1 0 323.393 2.986 20 5 DFBDRO CC(C)(C)OCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000330676337 268354359 /nfs/dbraw/zinc/35/43/59/268354359.db2.gz UETYZXKTSUXRBM-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 ZINC000049407530 425879219 /nfs/dbraw/zinc/87/92/19/425879219.db2.gz STDMWKBYEJRRAH-CYBMUJFWSA-N 1 0 317.345 2.529 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000049558513 425879920 /nfs/dbraw/zinc/87/99/20/425879920.db2.gz DIOHANWOFIEJMK-QMMMGPOBSA-N 1 0 317.187 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000049963470 425880946 /nfs/dbraw/zinc/88/09/46/425880946.db2.gz LGGBWYJOQYSYCW-NSHDSACASA-N 1 0 309.797 2.822 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336711040 268432864 /nfs/dbraw/zinc/43/28/64/268432864.db2.gz LELXOUAPVRAKSW-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000336861939 268444429 /nfs/dbraw/zinc/44/44/29/268444429.db2.gz BIRFTSAMMQDAMO-GFCCVEGCSA-N 1 0 309.414 2.654 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C)CC1 ZINC000125093234 425953085 /nfs/dbraw/zinc/95/30/85/425953085.db2.gz WKLBNMGSMZXULU-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2CSCCS2)cc1[N+](=O)[O-] ZINC000125229614 425959926 /nfs/dbraw/zinc/95/99/26/425959926.db2.gz ULOFIYDOXPKVCB-LLVKDONJSA-N 1 0 314.432 2.542 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000104388506 425964840 /nfs/dbraw/zinc/96/48/40/425964840.db2.gz UCPQOFLHOVIMIT-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO COc1cccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000126119590 426005129 /nfs/dbraw/zinc/00/51/29/426005129.db2.gz VULYCWRHCDPVJF-UHFFFAOYSA-N 1 0 302.330 2.902 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000125356433 425967427 /nfs/dbraw/zinc/96/74/27/425967427.db2.gz HMYOVDLLQYTAPT-ZDUSSCGKSA-N 1 0 317.389 2.684 20 5 DFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000125402814 425969522 /nfs/dbraw/zinc/96/95/22/425969522.db2.gz CBDHPNWMRBPTNR-UHFFFAOYSA-N 1 0 301.346 2.891 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000337372784 268482562 /nfs/dbraw/zinc/48/25/62/268482562.db2.gz PLXIVYVUHRYBDQ-OLZOCXBDSA-N 1 0 320.393 2.979 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000162669354 426071537 /nfs/dbraw/zinc/07/15/37/426071537.db2.gz SHMHMWYVNQSVIO-WFASDCNBSA-N 1 0 320.393 2.753 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000073993167 426036620 /nfs/dbraw/zinc/03/66/20/426036620.db2.gz FYYJCWSISVKCBF-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000111255181 426043173 /nfs/dbraw/zinc/04/31/73/426043173.db2.gz WZVNPBJXCZVVGG-NEPJUHHUSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000074511513 426052431 /nfs/dbraw/zinc/05/24/31/426052431.db2.gz KYTRQTWJDMITDV-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000112074227 426064334 /nfs/dbraw/zinc/06/43/34/426064334.db2.gz VYUURVNLQRYJCI-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC(C)[N@H+](CCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162449543 426065580 /nfs/dbraw/zinc/06/55/80/426065580.db2.gz APHIAEDYZRVPBA-UHFFFAOYSA-N 1 0 317.183 2.560 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000072686917 426019410 /nfs/dbraw/zinc/01/94/10/426019410.db2.gz ICFVSANUYBHYRX-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC1CC1 ZINC000112983268 426100627 /nfs/dbraw/zinc/10/06/27/426100627.db2.gz KICMRXSVRLQSJW-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000076331503 426106701 /nfs/dbraw/zinc/10/67/01/426106701.db2.gz JSYZOSDOARWEBO-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+](C)C)C1 ZINC000113515127 426116482 /nfs/dbraw/zinc/11/64/82/426116482.db2.gz JAUVYBPEMFNBAH-CQSZACIVSA-N 1 0 321.421 2.766 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128550967 426122602 /nfs/dbraw/zinc/12/26/02/426122602.db2.gz YOIQWVGMRLTYSA-NVXWUHKLSA-N 1 0 304.390 2.764 20 5 DFBDRO CCCC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000112333514 426073286 /nfs/dbraw/zinc/07/32/86/426073286.db2.gz ONBGZYYXKWTHPZ-UHFFFAOYSA-N 1 0 320.393 2.623 20 5 DFBDRO COCCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000116886481 426200357 /nfs/dbraw/zinc/20/03/57/426200357.db2.gz LFTQLAPYQIBRCP-CYBMUJFWSA-N 1 0 308.378 2.783 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000114729576 426144338 /nfs/dbraw/zinc/14/43/38/426144338.db2.gz VTZUYQXAWPLSQT-ZDUSSCGKSA-N 1 0 319.405 2.952 20 5 DFBDRO CC(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000078251229 426162281 /nfs/dbraw/zinc/16/22/81/426162281.db2.gz IXLVNRZLPQWYHL-AWEZNQCLSA-N 1 0 308.382 2.693 20 5 DFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000078372673 426167477 /nfs/dbraw/zinc/16/74/77/426167477.db2.gz VTTODRWPKZAENG-UHFFFAOYSA-N 1 0 301.774 2.628 20 5 DFBDRO COCC[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000172071455 426222022 /nfs/dbraw/zinc/22/20/22/426222022.db2.gz FNMBCVNYCCLLNG-INIZCTEOSA-N 1 0 310.394 2.595 20 5 DFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3nc(-c4cccc([N+](=O)[O-])c4)no3)C[C@@H]21 ZINC000172955826 426232237 /nfs/dbraw/zinc/23/22/37/426232237.db2.gz JGOMPQIMIUNLSB-BETUJISGSA-N 1 0 314.345 2.733 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173344309 426239823 /nfs/dbraw/zinc/23/98/23/426239823.db2.gz DIOYLEMTTOVUTR-LBPRGKRZSA-N 1 0 305.378 2.694 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3F)C2)nc1 ZINC000118866664 426249561 /nfs/dbraw/zinc/24/95/61/426249561.db2.gz QFVRCKRPKLSVGP-CYBMUJFWSA-N 1 0 316.336 2.815 20 5 DFBDRO CC1CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000117333521 426212157 /nfs/dbraw/zinc/21/21/57/426212157.db2.gz SLBJPLMVPDTWBP-UHFFFAOYSA-N 1 0 319.361 2.625 20 5 DFBDRO C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000080772168 426217406 /nfs/dbraw/zinc/21/74/06/426217406.db2.gz QXOJGEVPDOHDTR-LLVKDONJSA-N 1 0 308.382 2.693 20 5 DFBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512383 426294750 /nfs/dbraw/zinc/29/47/50/426294750.db2.gz VLJTXBRNDLPACS-MRXNPFEDSA-N 1 0 300.358 2.942 20 5 DFBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H]1CCOC1 ZINC000089908333 426317852 /nfs/dbraw/zinc/31/78/52/426317852.db2.gz XRQDVXRYQIJCMS-GFCCVEGCSA-N 1 0 317.345 2.718 20 5 DFBDRO CC(C)(C)C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522349 426327210 /nfs/dbraw/zinc/32/72/10/426327210.db2.gz CJBUBMYWXMZSFS-CYBMUJFWSA-N 1 0 307.394 2.657 20 5 DFBDRO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000089303660 426285511 /nfs/dbraw/zinc/28/55/11/426285511.db2.gz XZIFFSYKYQEKLK-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153657645 426397879 /nfs/dbraw/zinc/39/78/79/426397879.db2.gz CJKBSZBVNVKULP-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO CCC[NH+]1CCC(N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153654917 426397936 /nfs/dbraw/zinc/39/79/36/426397936.db2.gz IDXMDPTZMYITEO-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339777303 268888230 /nfs/dbraw/zinc/88/82/30/268888230.db2.gz SQUBCMMOQVGLPA-ZDUSSCGKSA-N 1 0 321.421 2.719 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000176082370 426350782 /nfs/dbraw/zinc/35/07/82/426350782.db2.gz YXGIOJBTHHXFSJ-CYBMUJFWSA-N 1 0 322.409 2.604 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588729 426351528 /nfs/dbraw/zinc/35/15/28/426351528.db2.gz INUFEGRGITXHPH-AWEZNQCLSA-N 1 0 319.405 2.948 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000152756939 426352389 /nfs/dbraw/zinc/35/23/89/426352389.db2.gz LOFFZIVYFXCFCG-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000176212312 426360998 /nfs/dbraw/zinc/36/09/98/426360998.db2.gz HJQIZJQTVKFDFN-INIZCTEOSA-N 1 0 314.389 2.889 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176248343 426363166 /nfs/dbraw/zinc/36/31/66/426363166.db2.gz TYMFRSFQDCHUHU-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO [NH3+][C@H]1CCC[C@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000340102321 268939729 /nfs/dbraw/zinc/93/97/29/268939729.db2.gz VRFLQNWHCXUYPU-HOCLYGCPSA-N 1 0 319.405 2.551 20 5 DFBDRO CC[N@H+](CC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000153380757 426382670 /nfs/dbraw/zinc/38/26/70/426382670.db2.gz RPOJFPCQRHVGLV-LBPRGKRZSA-N 1 0 305.378 2.565 20 5 DFBDRO COC[C@@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123231820 426421585 /nfs/dbraw/zinc/42/15/85/426421585.db2.gz ZUJCPBCPSZIUPO-QGZVFWFLSA-N 1 0 314.385 2.985 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCC2)C1 ZINC000123416687 426431984 /nfs/dbraw/zinc/43/19/84/426431984.db2.gz SNBFJOXVBKHOHH-GFCCVEGCSA-N 1 0 303.362 2.798 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000176994835 426432707 /nfs/dbraw/zinc/43/27/07/426432707.db2.gz TVPQRPKPTHDIPO-AUECHBEKSA-N 1 0 317.389 2.551 20 5 DFBDRO COCCO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766462 269009540 /nfs/dbraw/zinc/00/95/40/269009540.db2.gz IIAIGTAUNFVLNG-ZIAGYGMSSA-N 1 0 308.378 2.783 20 5 DFBDRO Cc1cc(N(C)CCc2cnccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340851438 269022223 /nfs/dbraw/zinc/02/22/23/269022223.db2.gz XGGVXBNTXPJUKA-UHFFFAOYSA-N 1 0 323.356 2.920 20 5 DFBDRO C[C@H]1C[C@@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123700913 426448617 /nfs/dbraw/zinc/44/86/17/426448617.db2.gz DHDQZZFLJMATSP-JTMKOSTRSA-N 1 0 317.389 2.549 20 5 DFBDRO Cc1ccc2nc(C[NH2+]CCc3cccc([N+](=O)[O-])c3)cn2c1 ZINC000341291041 269061487 /nfs/dbraw/zinc/06/14/87/269061487.db2.gz UFSNVEQNGZOBBO-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO CC[NH2+]Cc1cccc(NC(=O)c2cc([N+](=O)[O-])cnc2C)c1 ZINC000123780249 426452776 /nfs/dbraw/zinc/45/27/76/426452776.db2.gz BGHRRTRBFQXLDZ-UHFFFAOYSA-N 1 0 314.345 2.660 20 5 DFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000177412058 426477119 /nfs/dbraw/zinc/47/71/19/426477119.db2.gz YPHDEVBSWGLQFB-UHFFFAOYSA-N 1 0 317.389 2.732 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186394598 426518805 /nfs/dbraw/zinc/51/88/05/426518805.db2.gz MADMBALRRRSSEK-HOTGVXAUSA-N 1 0 320.389 2.659 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+](C)C ZINC000195333829 426519283 /nfs/dbraw/zinc/51/92/83/426519283.db2.gz BNPRYKOMUQSIEE-LLVKDONJSA-N 1 0 323.422 2.896 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH2+]C1CCCCC1 ZINC000195346518 426521816 /nfs/dbraw/zinc/52/18/16/426521816.db2.gz IHFSHNJRYXVILA-UHFFFAOYSA-N 1 0 309.414 2.844 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177846405 426530699 /nfs/dbraw/zinc/53/06/99/426530699.db2.gz BQNUQGVNPGUMLY-ZDUSSCGKSA-N 1 0 319.405 2.852 20 5 DFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000195511946 426534973 /nfs/dbraw/zinc/53/49/73/426534973.db2.gz WLELSAINCMNACG-CYBMUJFWSA-N 1 0 324.450 3.000 20 5 DFBDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186503638 426541323 /nfs/dbraw/zinc/54/13/23/426541323.db2.gz SCNBIKVKRLFKQP-FAQJLRJSSA-N 1 0 308.378 2.971 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194697607 426491047 /nfs/dbraw/zinc/49/10/47/426491047.db2.gz UTBFCNWBHOFMFF-DOMZBBRYSA-N 1 0 321.333 2.550 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177538445 426493081 /nfs/dbraw/zinc/49/30/81/426493081.db2.gz GJOSBTPRYFWFLQ-QWHCGFSZSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177531605 426493551 /nfs/dbraw/zinc/49/35/51/426493551.db2.gz ARJUMKFWTNGBDW-HIFRSBDPSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177559246 426494817 /nfs/dbraw/zinc/49/48/17/426494817.db2.gz LVQBCQRGAYIOKW-GHMZBOCLSA-N 1 0 311.407 2.567 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000264646519 426575412 /nfs/dbraw/zinc/57/54/12/426575412.db2.gz OAALRQITLCLKDV-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178156525 426578967 /nfs/dbraw/zinc/57/89/67/426578967.db2.gz LQZSJBWZLQXZSS-HNNXBMFYSA-N 1 0 321.402 2.913 20 5 DFBDRO C[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000222087185 426582242 /nfs/dbraw/zinc/58/22/42/426582242.db2.gz DNUCJAUNBAMEAM-LBPRGKRZSA-N 1 0 323.393 2.988 20 5 DFBDRO CN(CC[NH+](C)C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289145713 426592492 /nfs/dbraw/zinc/59/24/92/426592492.db2.gz ARPOOOATCCIVAW-UHFFFAOYSA-N 1 0 303.362 2.848 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273144369 426600726 /nfs/dbraw/zinc/60/07/26/426600726.db2.gz PMAGSAGHKDMJNF-INIZCTEOSA-N 1 0 300.358 2.678 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CCC(OC)CC1 ZINC000265265288 426608819 /nfs/dbraw/zinc/60/88/19/426608819.db2.gz ZBOQMVHMUFRJPM-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000289260334 426614648 /nfs/dbraw/zinc/61/46/48/426614648.db2.gz FRAJRUQCKHYYHN-PBHICJAKSA-N 1 0 303.406 2.962 20 5 DFBDRO CC(C)C[NH+](CC(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216395850 426559640 /nfs/dbraw/zinc/55/96/40/426559640.db2.gz HEMUAVSNWDVOJG-OAHLLOKOSA-N 1 0 324.421 2.949 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000272578167 426562693 /nfs/dbraw/zinc/56/26/93/426562693.db2.gz UUWJFNXKWKZZNM-LBPRGKRZSA-N 1 0 319.405 2.964 20 5 DFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299882 426637232 /nfs/dbraw/zinc/63/72/32/426637232.db2.gz GXSAVUGQIKFPLH-CJNGLKHVSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)cc1[N+](=O)[O-] ZINC000178490443 426639577 /nfs/dbraw/zinc/63/95/77/426639577.db2.gz FVXCGQNFCFLOEM-LBPRGKRZSA-N 1 0 317.345 2.577 20 5 DFBDRO C[S@@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000280763879 426652002 /nfs/dbraw/zinc/65/20/02/426652002.db2.gz YXZYRKUBKNDOIL-HXUWFJFHSA-N 1 0 316.810 2.639 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234316966 426655464 /nfs/dbraw/zinc/65/54/64/426655464.db2.gz DMJBDISTSKOEPD-MRVPVSSYSA-N 1 0 304.272 2.515 20 5 DFBDRO Cn1nc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000187385439 426656032 /nfs/dbraw/zinc/65/60/32/426656032.db2.gz KUAGVSKSKDEISP-UHFFFAOYSA-N 1 0 316.386 2.875 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658196 426671455 /nfs/dbraw/zinc/67/14/55/426671455.db2.gz KWBDINFBBDWQMP-KGLIPLIRSA-N 1 0 308.378 2.689 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280908544 426683732 /nfs/dbraw/zinc/68/37/32/426683732.db2.gz CVKJKSXHEMSLKW-YUTCNCBUSA-N 1 0 306.362 2.977 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CCCc2c1cnn2C ZINC000178730784 426684835 /nfs/dbraw/zinc/68/48/35/426684835.db2.gz NODJSYIAGILJSF-AWEZNQCLSA-N 1 0 316.361 2.504 20 5 DFBDRO O=C(NCC1CC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178404143 426622471 /nfs/dbraw/zinc/62/24/71/426622471.db2.gz FMLBGYSCGXRMLO-UHFFFAOYSA-N 1 0 319.386 2.539 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000178416260 426624004 /nfs/dbraw/zinc/62/40/04/426624004.db2.gz RPKZSNAPIQDBSE-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO Cc1ncsc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178861751 426708607 /nfs/dbraw/zinc/70/86/07/426708607.db2.gz ZKPKIMSRALTKMJ-CYBMUJFWSA-N 1 0 307.375 2.525 20 5 DFBDRO Cc1nccn1CCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000265812050 426695350 /nfs/dbraw/zinc/69/53/50/426695350.db2.gz VXJFJGNTIZSPHZ-UHFFFAOYSA-N 1 0 308.769 2.933 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)c1 ZINC000280966668 426697501 /nfs/dbraw/zinc/69/75/01/426697501.db2.gz KFKURFWUSABLIL-QGZVFWFLSA-N 1 0 313.357 2.781 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@@]12CCCO2 ZINC000273620522 426697750 /nfs/dbraw/zinc/69/77/50/426697750.db2.gz QNNSHRPTTFHNJM-ZACQAIPSSA-N 1 0 320.389 2.719 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000265851784 426699820 /nfs/dbraw/zinc/69/98/20/426699820.db2.gz IGCUBNZLZLLIER-OAHLLOKOSA-N 1 0 322.386 2.662 20 5 DFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000265851783 426700453 /nfs/dbraw/zinc/70/04/53/426700453.db2.gz IGCUBNZLZLLIER-HNNXBMFYSA-N 1 0 322.386 2.662 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000274447301 426771829 /nfs/dbraw/zinc/77/18/29/426771829.db2.gz IJNVSKXKLAWOPY-JOZWUWCOSA-N 1 0 317.389 2.597 20 5 DFBDRO COCCO[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000188809524 426789980 /nfs/dbraw/zinc/78/99/80/426789980.db2.gz LBLHOPLNFFKSNX-OAHLLOKOSA-N 1 0 322.405 2.956 20 5 DFBDRO CN(c1ncc([N+](=O)[O-])s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281888573 426786478 /nfs/dbraw/zinc/78/64/78/426786478.db2.gz LYAONSJXCLXJAA-CYBMUJFWSA-N 1 0 318.402 2.762 20 5 DFBDRO Cc1cc(NCC2([S@](C)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000281600771 426726563 /nfs/dbraw/zinc/72/65/63/426726563.db2.gz FUXRWXVMMDGDOK-QFIPXVFZSA-N 1 0 319.386 2.774 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000245437715 426738391 /nfs/dbraw/zinc/73/83/91/426738391.db2.gz RRHSEGWIXXLRGV-WBVHZDCISA-N 1 0 303.406 2.696 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000266565730 426739137 /nfs/dbraw/zinc/73/91/37/426739137.db2.gz ZOHAFPOHJZCLHR-FRFSOERESA-N 1 0 320.389 2.599 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000245437713 426739698 /nfs/dbraw/zinc/73/96/98/426739698.db2.gz RRHSEGWIXXLRGV-RDJZCZTQSA-N 1 0 303.406 2.696 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000245442524 426740015 /nfs/dbraw/zinc/74/00/15/426740015.db2.gz ICFVSANUYBHYRX-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO COc1ccc(C[NH2+]CC2(CCO)CCCC2)cc1[N+](=O)[O-] ZINC000266635874 426754343 /nfs/dbraw/zinc/75/43/43/426754343.db2.gz RTDCHLLBULIZGR-UHFFFAOYSA-N 1 0 308.378 2.636 20 5 DFBDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188890127 426799009 /nfs/dbraw/zinc/79/90/09/426799009.db2.gz DEQCKPMUSBEJJQ-LBPRGKRZSA-N 1 0 307.394 2.675 20 5 DFBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000246158313 426805314 /nfs/dbraw/zinc/80/53/14/426805314.db2.gz NLZKOJYJHFKRMB-LALPHHSUSA-N 1 0 317.389 2.847 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000188980579 426807460 /nfs/dbraw/zinc/80/74/60/426807460.db2.gz ZTBFLEUUDJHSDN-AWEZNQCLSA-N 1 0 306.387 2.658 20 5 DFBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)n1cncn1 ZINC000290648315 426812318 /nfs/dbraw/zinc/81/23/18/426812318.db2.gz JWXNJLDXCKOJCR-JTQLQIEISA-N 1 0 323.784 2.753 20 5 DFBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110016 426824659 /nfs/dbraw/zinc/82/46/59/426824659.db2.gz XARPSNJBJABLQN-HOCLYGCPSA-N 1 0 314.389 2.744 20 5 DFBDRO COc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800016 426840411 /nfs/dbraw/zinc/84/04/11/426840411.db2.gz POPBYVFNBLHRLU-UWVGGRQHSA-N 1 0 309.341 2.780 20 5 DFBDRO C[C@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000290805235 426843154 /nfs/dbraw/zinc/84/31/54/426843154.db2.gz QIVBIIZTRFCUBG-UWVGGRQHSA-N 1 0 301.350 2.508 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)CC)cc1[N+](=O)[O-] ZINC000189404802 426850620 /nfs/dbraw/zinc/85/06/20/426850620.db2.gz SKMYGWUCZPZBKI-NWDGAFQWSA-N 1 0 323.393 2.511 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246677320 426854628 /nfs/dbraw/zinc/85/46/28/426854628.db2.gz BXAYLOORJHANHY-DZGCQCFKSA-N 1 0 322.409 2.539 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274559265 426791286 /nfs/dbraw/zinc/79/12/86/426791286.db2.gz YZXJGCFWVNGJBP-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO CC1(C)OCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295204601 426861475 /nfs/dbraw/zinc/86/14/75/426861475.db2.gz LHIGCDOJFOSQPH-CQSZACIVSA-N 1 0 317.345 2.907 20 5 DFBDRO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000246840717 426869477 /nfs/dbraw/zinc/86/94/77/426869477.db2.gz PZESXISEBGTAFS-GXTWGEPZSA-N 1 0 320.393 2.850 20 5 DFBDRO C[NH+](C)CCCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290932515 426870112 /nfs/dbraw/zinc/87/01/12/426870112.db2.gz SFYDEIVJSHCYEP-UHFFFAOYSA-N 1 0 306.193 2.943 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)CO ZINC000295240297 426873828 /nfs/dbraw/zinc/87/38/28/426873828.db2.gz PFCPYPFUZHASSO-UHFFFAOYSA-N 1 0 310.394 2.832 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000247060139 426899240 /nfs/dbraw/zinc/89/92/40/426899240.db2.gz XFDSEVWFYSEBRR-NEPJUHHUSA-N 1 0 323.418 2.664 20 5 DFBDRO C[C@@H](CCC[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000295311417 426903189 /nfs/dbraw/zinc/90/31/89/426903189.db2.gz WBOJHKVRZAPAOP-NSHDSACASA-N 1 0 307.394 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOCC(F)F)C2CC2)cc1 ZINC000189791811 426952042 /nfs/dbraw/zinc/95/20/42/426952042.db2.gz IVKVSVCMCYQABQ-UHFFFAOYSA-N 1 0 300.305 2.841 20 5 DFBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268235617 426957929 /nfs/dbraw/zinc/95/79/29/426957929.db2.gz MHDZUGJFMFNBFT-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@H]([NH2+]CCn1c(C)csc1=O)c1cccc([N+](=O)[O-])c1 ZINC000181540809 426962513 /nfs/dbraw/zinc/96/25/13/426962513.db2.gz ICFHPOXGJLXGII-AWEZNQCLSA-N 1 0 321.402 2.867 20 5 DFBDRO CCc1nc(C)c(CNCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000291724086 426964941 /nfs/dbraw/zinc/96/49/41/426964941.db2.gz MYQUQZJTFNAUOL-UHFFFAOYSA-N 1 0 305.334 2.752 20 5 DFBDRO CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C[C@@H](O)C(F)(F)F ZINC000189871035 426968406 /nfs/dbraw/zinc/96/84/06/426968406.db2.gz KTPOILCFWGWFRT-GFCCVEGCSA-N 1 0 306.284 2.648 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295489667 426979258 /nfs/dbraw/zinc/97/92/58/426979258.db2.gz ZVUXHXKFBUWFHC-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295489665 426981252 /nfs/dbraw/zinc/98/12/52/426981252.db2.gz ZVUXHXKFBUWFHC-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247007 426984279 /nfs/dbraw/zinc/98/42/79/426984279.db2.gz VBEGFULHGZDRPL-HIFRSBDPSA-N 1 0 307.369 2.650 20 5 DFBDRO CCOCCOCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000190264119 427058041 /nfs/dbraw/zinc/05/80/41/427058041.db2.gz GKCISPJTXCVFQF-CQSZACIVSA-N 1 0 310.394 2.949 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000181973704 427003405 /nfs/dbraw/zinc/00/34/05/427003405.db2.gz VZKMOUJLOGWAJE-UHFFFAOYSA-N 1 0 314.385 2.940 20 5 DFBDRO CC[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248475183 427003995 /nfs/dbraw/zinc/00/39/95/427003995.db2.gz XNMWKRJEHXQSKM-PBHICJAKSA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@H]1CCCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000248582610 427016078 /nfs/dbraw/zinc/01/60/78/427016078.db2.gz WNJIFRDKFWEDKY-BBRMVZONSA-N 1 0 317.389 2.822 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283495759 427025903 /nfs/dbraw/zinc/02/59/03/427025903.db2.gz IFBBPXDIJZWIRG-ZDUSSCGKSA-N 1 0 305.378 2.941 20 5 DFBDRO Cc1nc(NC2CC[NH+](CCOC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000268490222 427030028 /nfs/dbraw/zinc/03/00/28/427030028.db2.gz NJOXUKJLBYVFBA-UHFFFAOYSA-N 1 0 322.409 2.600 20 5 DFBDRO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000283644664 427049839 /nfs/dbraw/zinc/04/98/39/427049839.db2.gz SWLZFZIOWBQHAH-UHFFFAOYSA-N 1 0 324.352 2.899 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000283759027 427072037 /nfs/dbraw/zinc/07/20/37/427072037.db2.gz MQCXVMLRWBXGEY-XJKSGUPXSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(CO)CCC1 ZINC000292077308 427079358 /nfs/dbraw/zinc/07/93/58/427079358.db2.gz FIMPREINBPTEAK-UHFFFAOYSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296145007 427089845 /nfs/dbraw/zinc/08/98/45/427089845.db2.gz JGOXXCOOWWLNRJ-GFCCVEGCSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283922124 427098921 /nfs/dbraw/zinc/09/89/21/427098921.db2.gz DSHGBYIGTCMRPS-GFCCVEGCSA-N 1 0 306.410 2.702 20 5 DFBDRO CCCCOC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292131721 427101381 /nfs/dbraw/zinc/10/13/81/427101381.db2.gz LGYNTEZFSDUVFL-CYBMUJFWSA-N 1 0 310.394 2.597 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC(n3ccnc3)CC2)c(F)c1 ZINC000284020582 427118771 /nfs/dbraw/zinc/11/87/71/427118771.db2.gz KSAKCXJBXQFZDL-UHFFFAOYSA-N 1 0 322.315 2.907 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000268826798 427131374 /nfs/dbraw/zinc/13/13/74/427131374.db2.gz LJMLUYSHMHGGTO-OCCSQVGLSA-N 1 0 305.378 2.524 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000292212461 427134469 /nfs/dbraw/zinc/13/44/69/427134469.db2.gz ZCIKICWJSMJRMK-TZMCWYRMSA-N 1 0 305.378 2.613 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268861700 427136010 /nfs/dbraw/zinc/13/60/10/427136010.db2.gz ROIBZVNMCGVALA-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268839822 427136302 /nfs/dbraw/zinc/13/63/02/427136302.db2.gz OKMJYQCPCDGNMT-TZMCWYRMSA-N 1 0 305.378 2.524 20 5 DFBDRO CCOCC[NH+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182751146 427138172 /nfs/dbraw/zinc/13/81/72/427138172.db2.gz AUCCRKOREJKJQK-HNNXBMFYSA-N 1 0 321.421 2.618 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000182760039 427140989 /nfs/dbraw/zinc/14/09/89/427140989.db2.gz YSJLLRPIZIOLBW-HIFRSBDPSA-N 1 0 315.377 2.893 20 5 DFBDRO COC(=O)CC1(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000292241780 427143149 /nfs/dbraw/zinc/14/31/49/427143149.db2.gz WVHJAQLAEULMCZ-UHFFFAOYSA-N 1 0 306.362 2.763 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCO[C@H]21 ZINC000296316011 427145576 /nfs/dbraw/zinc/14/55/76/427145576.db2.gz QACKZZQGLJINQO-CUOATXAZSA-N 1 0 312.316 2.776 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000174177704 271131074 /nfs/dbraw/zinc/13/10/74/271131074.db2.gz BXFSHWQVTITFJX-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO CCCc1[nH]nc(C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000178239698 271189151 /nfs/dbraw/zinc/18/91/51/271189151.db2.gz QMVIJBKVRHSIOA-SECBINFHSA-N 1 0 317.349 2.542 20 5 DFBDRO CCCCCCNC(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296542727 427216336 /nfs/dbraw/zinc/21/63/36/427216336.db2.gz FJKLCGFSYFVEBE-ZDUSSCGKSA-N 1 0 307.394 2.942 20 5 DFBDRO CCN(C)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000190800574 427181111 /nfs/dbraw/zinc/18/11/11/427181111.db2.gz CJMJVYKMJFHMLJ-UHFFFAOYSA-N 1 0 300.362 2.736 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277373278 427182988 /nfs/dbraw/zinc/18/29/88/427182988.db2.gz FLAOFRDSEUHGDG-AWEZNQCLSA-N 1 0 307.394 2.816 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCOC1 ZINC000292704386 427196866 /nfs/dbraw/zinc/19/68/66/427196866.db2.gz ASYAIOPACICAMP-LLVKDONJSA-N 1 0 304.268 2.834 20 5 DFBDRO O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000277420762 427198317 /nfs/dbraw/zinc/19/83/17/427198317.db2.gz HKXFYCGTOMYGHJ-HNNXBMFYSA-N 1 0 318.377 2.733 20 5 DFBDRO COc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c([N+](=O)[O-])cc1F ZINC000292846736 427200689 /nfs/dbraw/zinc/20/06/89/427200689.db2.gz QZIWEJGNJALEQS-INIZCTEOSA-N 1 0 323.368 2.665 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000190920609 427205013 /nfs/dbraw/zinc/20/50/13/427205013.db2.gz HHJOVCREKDNGOV-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO C[C@@H]1C[N@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000277454021 427208910 /nfs/dbraw/zinc/20/89/10/427208910.db2.gz KCOJRLSTMYVJAU-GFCCVEGCSA-N 1 0 311.357 2.647 20 5 DFBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000190949451 427212385 /nfs/dbraw/zinc/21/23/85/427212385.db2.gz WNBIANPJIIIAHF-ZYHUDNBSSA-N 1 0 316.304 2.853 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000285377154 427214697 /nfs/dbraw/zinc/21/46/97/427214697.db2.gz WFZQTFSLYNIVNJ-OAHLLOKOSA-N 1 0 318.377 2.614 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296540235 427215512 /nfs/dbraw/zinc/21/55/12/427215512.db2.gz FAILSNIJMHXVNB-RWMBFGLXSA-N 1 0 307.394 2.939 20 5 DFBDRO COC(=O)[C@@H]1CCCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000254967375 427227957 /nfs/dbraw/zinc/22/79/57/427227957.db2.gz MYXDZCDZNXROCP-LYASGUKUSA-N 1 0 304.346 2.636 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435840 427230813 /nfs/dbraw/zinc/23/08/13/427230813.db2.gz HWEDGUIDCXAWKD-MZBDJJRSSA-N 1 0 319.405 2.660 20 5 DFBDRO Cc1csc(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000269632575 427234173 /nfs/dbraw/zinc/23/41/73/427234173.db2.gz GCXHWOZEAUWWBN-ZDUSSCGKSA-N 1 0 321.402 2.918 20 5 DFBDRO C[N@@H+](Cc1ccc(Cl)nc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269629410 427235091 /nfs/dbraw/zinc/23/50/91/427235091.db2.gz DVSJTABNYZNKSJ-CQSZACIVSA-N 1 0 321.764 2.809 20 5 DFBDRO Cc1ccc(C[NH2+]CCOCC(F)(F)C(F)F)cc1[N+](=O)[O-] ZINC000277548517 427238770 /nfs/dbraw/zinc/23/87/70/427238770.db2.gz YDITVZZJRWGHOZ-UHFFFAOYSA-N 1 0 324.274 2.910 20 5 DFBDRO CC[C@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000269654145 427241482 /nfs/dbraw/zinc/24/14/82/427241482.db2.gz NSPUNXOGQHQTCJ-HIFRSBDPSA-N 1 0 321.402 3.000 20 5 DFBDRO CC[C@@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000269654142 427241665 /nfs/dbraw/zinc/24/16/65/427241665.db2.gz NSPUNXOGQHQTCJ-DZGCQCFKSA-N 1 0 321.402 3.000 20 5 DFBDRO COC1CCC([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269659443 427243293 /nfs/dbraw/zinc/24/32/93/427243293.db2.gz PTDZNUIMVDSVRS-AVVWSFFYSA-N 1 0 308.378 2.518 20 5 DFBDRO C[NH+](C)[C@]1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCSC1 ZINC000269666855 427246346 /nfs/dbraw/zinc/24/63/46/427246346.db2.gz WDAAOGZVVOLQBI-ZDUSSCGKSA-N 1 0 317.361 2.722 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000293204132 427246517 /nfs/dbraw/zinc/24/65/17/427246517.db2.gz XBZSJZHTSACTQI-MRXNPFEDSA-N 1 0 310.369 2.964 20 5 DFBDRO COc1ccccc1[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269710531 427259632 /nfs/dbraw/zinc/25/96/32/427259632.db2.gz PSJWIDCZCBTNFL-BLLLJJGKSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)c1ccccc1 ZINC000183383521 427260768 /nfs/dbraw/zinc/26/07/68/427260768.db2.gz ALQSWHHOFNLHAY-UONOGXRCSA-N 1 0 315.373 2.538 20 5 DFBDRO Cc1nc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000296879927 427262440 /nfs/dbraw/zinc/26/24/40/427262440.db2.gz WYCDBZTURJLDLR-CQSZACIVSA-N 1 0 319.409 2.902 20 5 DFBDRO Cc1nc(SCC[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000296891536 427264972 /nfs/dbraw/zinc/26/49/72/427264972.db2.gz XZXCDBCMQIBVOF-UHFFFAOYSA-N 1 0 318.402 2.917 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000183599665 427300165 /nfs/dbraw/zinc/30/01/65/427300165.db2.gz BGVWXKOFVZAQCQ-GOSISDBHSA-N 1 0 312.369 2.827 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000277732901 427301182 /nfs/dbraw/zinc/30/11/82/427301182.db2.gz OVIOUEUYUGIFDN-INIZCTEOSA-N 1 0 304.321 2.866 20 5 DFBDRO CN(C(=O)C[NH2+][C@@H]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000191293311 427311327 /nfs/dbraw/zinc/31/13/27/427311327.db2.gz IHIGURUVYFWKFG-CQSZACIVSA-N 1 0 305.378 2.726 20 5 DFBDRO Cn1nccc1C1=CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000285697033 427315037 /nfs/dbraw/zinc/31/50/37/427315037.db2.gz SCURSGBKGZELAH-UHFFFAOYSA-N 1 0 312.373 2.660 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000183693047 427322897 /nfs/dbraw/zinc/32/28/97/427322897.db2.gz URHLEBNAAMDOOR-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183824694 427347994 /nfs/dbraw/zinc/34/79/94/427347994.db2.gz FVRJXPHIZWMQER-CQSZACIVSA-N 1 0 306.362 2.570 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1[N+](=O)[O-] ZINC000269888602 427298900 /nfs/dbraw/zinc/29/89/00/427298900.db2.gz BVRYZDPIBVEMKC-DAXOMENPSA-N 1 0 318.373 2.651 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293615414 427380666 /nfs/dbraw/zinc/38/06/66/427380666.db2.gz GVNDCNFTWSFYQY-BZNIZROVSA-N 1 0 307.394 2.769 20 5 DFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191667876 427401643 /nfs/dbraw/zinc/40/16/43/427401643.db2.gz PQZYAVCDYXQMBG-IRXDYDNUSA-N 1 0 322.405 2.501 20 5 DFBDRO C[C@H]1C[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000286025421 427403910 /nfs/dbraw/zinc/40/39/10/427403910.db2.gz ARCGKADGBKZMFB-VHSXEESVSA-N 1 0 321.406 2.518 20 5 DFBDRO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097701 427404222 /nfs/dbraw/zinc/40/42/22/427404222.db2.gz NNDMKVFHHSKZDC-WCQYABFASA-N 1 0 323.368 2.663 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690077 427407594 /nfs/dbraw/zinc/40/75/94/427407594.db2.gz KWNSJVFSBREAOI-RYUDHWBXSA-N 1 0 317.393 2.669 20 5 DFBDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710580 427411305 /nfs/dbraw/zinc/41/13/05/427411305.db2.gz LYHHSJZOMMDYSZ-STQMWFEESA-N 1 0 306.410 2.702 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263118302 427417288 /nfs/dbraw/zinc/41/72/88/427417288.db2.gz ATMHKMYNTXYIFX-JDFRZJQESA-N 1 0 319.405 2.988 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000331170451 427362327 /nfs/dbraw/zinc/36/23/27/427362327.db2.gz NYTLYDYCWMAMJZ-XEZPLFJOSA-N 1 0 322.405 2.975 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271298302 427487888 /nfs/dbraw/zinc/48/78/88/427487888.db2.gz UBWRJGPQLPEMOI-KOLCDFICSA-N 1 0 316.304 2.853 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000338720964 427456044 /nfs/dbraw/zinc/45/60/44/427456044.db2.gz DUTNLOMREPQVCF-FUNVUKJBSA-N 1 0 305.378 2.665 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000293850041 427463269 /nfs/dbraw/zinc/46/32/69/427463269.db2.gz GDGBDQIWZQCBJK-UHFFFAOYSA-N 1 0 305.378 2.591 20 5 DFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286236259 427463880 /nfs/dbraw/zinc/46/38/80/427463880.db2.gz UNIGHILJQFGMJS-JTQLQIEISA-N 1 0 311.769 2.592 20 5 DFBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@@H]1C ZINC000331686320 427478709 /nfs/dbraw/zinc/47/87/09/427478709.db2.gz VMZADUXTMCGNKS-VXGBXAGGSA-N 1 0 319.361 2.623 20 5 DFBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC000331712937 427481733 /nfs/dbraw/zinc/48/17/33/427481733.db2.gz GKEIUASEPHTVOB-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184229322 427420296 /nfs/dbraw/zinc/42/02/96/427420296.db2.gz BEDRSTYYNJYWNI-LLVKDONJSA-N 1 0 312.341 2.601 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000184231558 427420606 /nfs/dbraw/zinc/42/06/06/427420606.db2.gz QKDZMYPWCMFCRC-BYIUCRAPSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000338673918 427432898 /nfs/dbraw/zinc/43/28/98/427432898.db2.gz PIEGJFVFRLOAOL-CQSZACIVSA-N 1 0 317.389 2.720 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2nccs2)n1 ZINC000331534218 427433165 /nfs/dbraw/zinc/43/31/65/427433165.db2.gz FCEBLTUSHLIDPP-GHMZBOCLSA-N 1 0 307.379 2.521 20 5 DFBDRO Cc1nccn1CCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278514817 427441489 /nfs/dbraw/zinc/44/14/89/427441489.db2.gz RVULJTSDNAJRBP-UHFFFAOYSA-N 1 0 314.349 2.503 20 5 DFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000271198616 427445742 /nfs/dbraw/zinc/44/57/42/427445742.db2.gz PKSANABZZIIUPS-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057266 427498073 /nfs/dbraw/zinc/49/80/73/427498073.db2.gz ZROCDTRDXYFLNM-HFBAOOFYSA-N 1 0 303.406 2.905 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000286364062 427505481 /nfs/dbraw/zinc/50/54/81/427505481.db2.gz GAIGWLOAPXFIKH-RYUDHWBXSA-N 1 0 318.295 2.588 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[NH+]1CCCC1 ZINC000341351771 271810852 /nfs/dbraw/zinc/81/08/52/271810852.db2.gz CHEPSFCZVOUUAZ-UHFFFAOYSA-N 1 0 321.377 2.588 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286419141 427521622 /nfs/dbraw/zinc/52/16/22/427521622.db2.gz PBWIHBVOTABICX-JTQLQIEISA-N 1 0 321.406 2.743 20 5 DFBDRO C[C@H](CO)CCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271406923 427525662 /nfs/dbraw/zinc/52/56/62/427525662.db2.gz ABDLBCMWOPETCK-BBRMVZONSA-N 1 0 306.406 2.914 20 5 DFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCCCC[NH+]1CCCC1 ZINC000294070596 427539040 /nfs/dbraw/zinc/53/90/40/427539040.db2.gz ZVOBVNICGNHVNI-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO COc1ccccc1CN(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338897157 427545176 /nfs/dbraw/zinc/54/51/76/427545176.db2.gz FMZKLDIIPQJSNN-UHFFFAOYSA-N 1 0 302.330 2.941 20 5 DFBDRO CCCn1ncnc1CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000279074306 427550675 /nfs/dbraw/zinc/55/06/75/427550675.db2.gz KQOXEHXPTJVHES-GFCCVEGCSA-N 1 0 303.366 2.756 20 5 DFBDRO COC1(CC[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000338909403 427553023 /nfs/dbraw/zinc/55/30/23/427553023.db2.gz ZZTFOOGXEKIARR-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332517241 427617261 /nfs/dbraw/zinc/61/72/61/427617261.db2.gz NFIUDMSHEXTLNW-OAHLLOKOSA-N 1 0 318.421 2.611 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000192519861 427557284 /nfs/dbraw/zinc/55/72/84/427557284.db2.gz WYZLDKIMNQXMNR-UHFFFAOYSA-N 1 0 323.441 2.678 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccccc1 ZINC000192523403 427557671 /nfs/dbraw/zinc/55/76/71/427557671.db2.gz QXEULHODBCKMOM-UHFFFAOYSA-N 1 0 317.393 2.664 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000192531559 427560860 /nfs/dbraw/zinc/56/08/60/427560860.db2.gz NJKOVDIRERKQFO-AAEUAGOBSA-N 1 0 318.402 2.984 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192593857 427571188 /nfs/dbraw/zinc/57/11/88/427571188.db2.gz SIVBDFMYNOJLPD-CYBMUJFWSA-N 1 0 309.414 2.796 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])c(C)nn1CC ZINC000192593867 427571686 /nfs/dbraw/zinc/57/16/86/427571686.db2.gz SIVBDFMYNOJLPD-ZDUSSCGKSA-N 1 0 309.414 2.796 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629651 427576285 /nfs/dbraw/zinc/57/62/85/427576285.db2.gz SZQDZKLWCNHLFS-BXUZGUMPSA-N 1 0 305.378 2.704 20 5 DFBDRO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000271612120 427581435 /nfs/dbraw/zinc/58/14/35/427581435.db2.gz KVYSBQKWQOEJGZ-GXTWGEPZSA-N 1 0 305.378 2.645 20 5 DFBDRO COCCO[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000338951829 427584999 /nfs/dbraw/zinc/58/49/99/427584999.db2.gz CHWQATXZEIJRTK-RRGWEWPQSA-N 1 0 320.389 2.735 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279176339 427586146 /nfs/dbraw/zinc/58/61/46/427586146.db2.gz CKGZHGDITQBXMT-DOMZBBRYSA-N 1 0 317.389 2.652 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000192705706 427591912 /nfs/dbraw/zinc/59/19/12/427591912.db2.gz JFTUYCJXXQWJML-CQSZACIVSA-N 1 0 323.441 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000332364234 427592376 /nfs/dbraw/zinc/59/23/76/427592376.db2.gz TWWKGSFDUQJJQM-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000192713379 427592660 /nfs/dbraw/zinc/59/26/60/427592660.db2.gz LPLKCYAMULBLTO-RHSMWYFYSA-N 1 0 321.421 2.746 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000342020829 271933817 /nfs/dbraw/zinc/93/38/17/271933817.db2.gz OIIGRPBCWZGXFW-DZGCQCFKSA-N 1 0 306.362 2.747 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000192747056 427602847 /nfs/dbraw/zinc/60/28/47/427602847.db2.gz FQBROHPPUUAIBC-LSDHHAIUSA-N 1 0 305.378 2.694 20 5 DFBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192943324 427637725 /nfs/dbraw/zinc/63/77/25/427637725.db2.gz HAYQUSVDDBGDPY-ISTRZQFTSA-N 1 0 320.389 2.756 20 5 DFBDRO CC(C)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000192998270 427648829 /nfs/dbraw/zinc/64/88/29/427648829.db2.gz GHNMCYUGXFLCGG-CVEARBPZSA-N 1 0 317.389 2.571 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298599782 427658075 /nfs/dbraw/zinc/65/80/75/427658075.db2.gz LXATVERACVASNH-UHFFFAOYSA-N 1 0 319.361 2.659 20 5 DFBDRO Cc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272206009 427670967 /nfs/dbraw/zinc/67/09/67/427670967.db2.gz QNWJSUVHIUISDQ-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000287683345 427671390 /nfs/dbraw/zinc/67/13/90/427671390.db2.gz COEXLWBXUBPQEI-RKDXNWHRSA-N 1 0 319.390 2.637 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C)C1 ZINC000343267871 272108861 /nfs/dbraw/zinc/10/88/61/272108861.db2.gz HGFUNMXBGVBIEZ-SNVBAGLBSA-N 1 0 315.320 2.727 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343446410 272149395 /nfs/dbraw/zinc/14/93/95/272149395.db2.gz OQNWRWDSJUVCKU-ZYHUDNBSSA-N 1 0 323.418 2.529 20 5 DFBDRO CCC1(C)CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343530643 272165441 /nfs/dbraw/zinc/16/54/41/272165441.db2.gz CTGMQRYSYDBFML-CQSZACIVSA-N 1 0 322.405 2.847 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000343600024 272179810 /nfs/dbraw/zinc/17/98/10/272179810.db2.gz JCSSKJAUQSGOPK-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000343685276 272200675 /nfs/dbraw/zinc/20/06/75/272200675.db2.gz ZUYZJERXSYONES-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000343784913 272218767 /nfs/dbraw/zinc/21/87/67/272218767.db2.gz FFZHRSVWIRDIJH-KBPBESRZSA-N 1 0 304.394 2.670 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccncc1[N+](=O)[O-] ZINC000343817418 272225038 /nfs/dbraw/zinc/22/50/38/272225038.db2.gz UZRTVHFJTVRWHH-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011151 272249341 /nfs/dbraw/zinc/24/93/41/272249341.db2.gz SDMYYEQJEGTKLJ-TZMCWYRMSA-N 1 0 317.389 2.962 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344027684 272251317 /nfs/dbraw/zinc/25/13/17/272251317.db2.gz JETBCGKMYAOYJA-AAEUAGOBSA-N 1 0 303.362 2.654 20 5 DFBDRO CN(C(=O)C[N@H+](C)C[C@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000344056601 272253455 /nfs/dbraw/zinc/25/34/55/272253455.db2.gz JUZZFAXECKQMGM-AWEZNQCLSA-N 1 0 317.389 2.846 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000193282164 427681261 /nfs/dbraw/zinc/68/12/61/427681261.db2.gz GCJBLETYOSWSAX-GXTWGEPZSA-N 1 0 320.345 2.587 20 5 DFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082722 272259645 /nfs/dbraw/zinc/25/96/45/272259645.db2.gz RXEYWOMGZLDGFU-UKRRQHHQSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344127817 272269709 /nfs/dbraw/zinc/26/97/09/272269709.db2.gz WSNXNRHNJYLOMI-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@H]1c1cccnc1 ZINC000344244734 272295582 /nfs/dbraw/zinc/29/55/82/272295582.db2.gz KYCXTYFWOKHQRQ-IRXDYDNUSA-N 1 0 313.357 2.952 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000344278497 272302778 /nfs/dbraw/zinc/30/27/78/272302778.db2.gz URWXLOJVBZGOIW-INWMFGNUSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCCCS2)c([N+](=O)[O-])cc1O ZINC000344343429 272316572 /nfs/dbraw/zinc/31/65/72/272316572.db2.gz CLQBUIGCDRVLMO-NSHDSACASA-N 1 0 312.391 2.684 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2ccc([N+](=O)[O-])nc2)ccc1F ZINC000344436051 272331702 /nfs/dbraw/zinc/33/17/02/272331702.db2.gz PLDRBCMDJOVDBX-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COCC(C)C ZINC000344788926 272369576 /nfs/dbraw/zinc/36/95/76/272369576.db2.gz GTDYWJHLOQPGHD-OEXZBZRSSA-N 1 0 322.405 2.621 20 5 DFBDRO CC(=O)N1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000344795369 272370718 /nfs/dbraw/zinc/37/07/18/272370718.db2.gz RKASTLQJXSKSNN-RAXLEYEMSA-N 1 0 317.389 2.599 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000344832215 272375517 /nfs/dbraw/zinc/37/55/17/272375517.db2.gz NKWFUDWMRRHMJI-BCRSCGJKSA-N 1 0 318.295 2.901 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc(C)cn1 ZINC000344902762 272383535 /nfs/dbraw/zinc/38/35/35/272383535.db2.gz NNECEJRPYRXWJN-MDWZMJQESA-N 1 0 300.362 2.793 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCC[C@H]1O ZINC000339189383 427722558 /nfs/dbraw/zinc/72/25/58/427722558.db2.gz QQXFZGBRQMJIFE-QWHCGFSZSA-N 1 0 318.295 2.959 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000345043921 272397417 /nfs/dbraw/zinc/39/74/17/272397417.db2.gz KTUWBSVTDGENLC-BMQCOBNYSA-N 1 0 317.389 2.599 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000345043922 272397799 /nfs/dbraw/zinc/39/77/99/272397799.db2.gz KTUWBSVTDGENLC-CTXBLAANSA-N 1 0 317.389 2.599 20 5 DFBDRO C[N@@H+](Cc1cccs1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000298775924 427704029 /nfs/dbraw/zinc/70/40/29/427704029.db2.gz ZHAYJEGDAHDPAI-LBPRGKRZSA-N 1 0 322.386 2.528 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000279574153 427705779 /nfs/dbraw/zinc/70/57/79/427705779.db2.gz ATZRPQLHJMVOGB-UHFFFAOYSA-N 1 0 306.362 2.869 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(CO)CCCC1 ZINC000185802965 427708450 /nfs/dbraw/zinc/70/84/50/427708450.db2.gz ONZLJTIZRMEBQF-UHFFFAOYSA-N 1 0 308.378 2.636 20 5 DFBDRO O=C(NCCC[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298816159 427709914 /nfs/dbraw/zinc/70/99/14/427709914.db2.gz QPJYREOHDFISBQ-UHFFFAOYSA-N 1 0 317.345 2.557 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC=CCC1 ZINC000279677760 427714747 /nfs/dbraw/zinc/71/47/47/427714747.db2.gz IPONRCNZTIPBJZ-HNNXBMFYSA-N 1 0 303.406 2.767 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cn2c(n1)CCCC2 ZINC000339168768 427715718 /nfs/dbraw/zinc/71/57/18/427715718.db2.gz FYGKRSREJZVMBQ-ALCCZGGFSA-N 1 0 312.373 2.931 20 5 DFBDRO CC[NH+]1CCC(N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000301086627 427774116 /nfs/dbraw/zinc/77/41/16/427774116.db2.gz DSONMISHBVWUKD-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000301194373 427780512 /nfs/dbraw/zinc/78/05/12/427780512.db2.gz NLLAARZLRGFVQM-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301333856 427789602 /nfs/dbraw/zinc/78/96/02/427789602.db2.gz FNQAIIZRYUNBNY-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CCc1nn(C)c(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301347441 427790332 /nfs/dbraw/zinc/79/03/32/427790332.db2.gz IONRPIFXTOBKQQ-LRDDRELGSA-N 1 0 323.441 2.813 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)nc1 ZINC000301549197 427804584 /nfs/dbraw/zinc/80/45/84/427804584.db2.gz GEAFJXARYFPBDH-HNNXBMFYSA-N 1 0 312.373 2.748 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301545183 427804662 /nfs/dbraw/zinc/80/46/62/427804662.db2.gz DQPKXVMXSKIZIM-OKILXGFUSA-N 1 0 307.394 2.896 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301621488 427810008 /nfs/dbraw/zinc/81/00/08/427810008.db2.gz XXLKCDLXNASMIP-LBPRGKRZSA-N 1 0 322.365 2.893 20 5 DFBDRO Cc1nc(N2CC[NH+](CCC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301652197 427812835 /nfs/dbraw/zinc/81/28/35/427812835.db2.gz QPLHFHHPRQOLQS-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCO[C@H]2c2ccncc2)cc1 ZINC000337244117 427823044 /nfs/dbraw/zinc/82/30/44/427823044.db2.gz GWQANTMICWPUJO-SJORKVTESA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000337254930 427824748 /nfs/dbraw/zinc/82/47/48/427824748.db2.gz MOHHYNMEZGYUDI-IAGOWNOFSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)CC(F)(F)F ZINC000339794695 427830275 /nfs/dbraw/zinc/83/02/75/427830275.db2.gz KMKCFTKSISRWRS-JOAKQRRISA-N 1 0 304.268 2.511 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000339820052 427838336 /nfs/dbraw/zinc/83/83/36/427838336.db2.gz CDMXYOJDBJQRSA-INIZCTEOSA-N 1 0 308.378 2.721 20 5 DFBDRO COc1cc(N[C@H]2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000301934984 427843544 /nfs/dbraw/zinc/84/35/44/427843544.db2.gz REBRBMHGUGRLOX-WDEREUQCSA-N 1 0 309.366 2.507 20 5 DFBDRO COc1ccc(C[NH2+][C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000355673254 427844261 /nfs/dbraw/zinc/84/42/61/427844261.db2.gz AOYXTBVQXXZXKV-ZDUSSCGKSA-N 1 0 310.394 2.880 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000359437171 427851540 /nfs/dbraw/zinc/85/15/40/427851540.db2.gz JKZVANHPBLZCLV-NEPJUHHUSA-N 1 0 309.414 2.794 20 5 DFBDRO CCC[N@@H+]1CCCN(c2cccc(OCC)c2[N+](=O)[O-])CC1 ZINC000302222563 427851779 /nfs/dbraw/zinc/85/17/79/427851779.db2.gz MYWNOQZMZFWMEX-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730862 427866878 /nfs/dbraw/zinc/86/68/78/427866878.db2.gz HKFLOLANDTVBLR-LXTVHRRPSA-N 1 0 322.405 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000302819425 427874768 /nfs/dbraw/zinc/87/47/68/427874768.db2.gz OGKUCQADKSMLHU-GFCCVEGCSA-N 1 0 323.368 2.647 20 5 DFBDRO C[C@](O)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000340599657 427898835 /nfs/dbraw/zinc/89/88/35/427898835.db2.gz HDJDTAJFMCJPGL-RNZFLTOJSA-N 1 0 304.268 2.511 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340626821 427906809 /nfs/dbraw/zinc/90/68/09/427906809.db2.gz MIVMVMXIAPGNKG-UHFFFAOYSA-N 1 0 321.421 2.673 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000349969507 427911238 /nfs/dbraw/zinc/91/12/38/427911238.db2.gz IHDLBJNYMYPWIF-MRXNPFEDSA-N 1 0 313.357 2.952 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000349969496 427911434 /nfs/dbraw/zinc/91/14/34/427911434.db2.gz IHDLBJNYMYPWIF-INIZCTEOSA-N 1 0 313.357 2.952 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094729 427918227 /nfs/dbraw/zinc/91/82/27/427918227.db2.gz DOTGTMDRTYLLAO-DZGCQCFKSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340299782 427980702 /nfs/dbraw/zinc/98/07/02/427980702.db2.gz CRNGNEPALNQHPQ-CYBMUJFWSA-N 1 0 321.421 2.719 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000340102322 427927371 /nfs/dbraw/zinc/92/73/71/427927371.db2.gz VRFLQNWHCXUYPU-ZBFHGGJFSA-N 1 0 319.405 2.551 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000340102319 427927389 /nfs/dbraw/zinc/92/73/89/427927389.db2.gz VRFLQNWHCXUYPU-GDBMZVCRSA-N 1 0 319.405 2.551 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000340883351 427943500 /nfs/dbraw/zinc/94/35/00/427943500.db2.gz VPWVSTPNBYVBHG-MRXNPFEDSA-N 1 0 305.378 2.574 20 5 DFBDRO CO[C@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000359639834 427949990 /nfs/dbraw/zinc/94/99/90/427949990.db2.gz SQOZVPIXPPQXNN-INIZCTEOSA-N 1 0 308.378 2.613 20 5 DFBDRO C[N@H+](CCCCNc1c2c(ccc1[N+](=O)[O-])NCC2)C1CC1 ZINC000413345813 428028621 /nfs/dbraw/zinc/02/86/21/428028621.db2.gz GMRSUXHMIZAYJJ-UHFFFAOYSA-N 1 0 304.394 2.849 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCc2cnccn2)o1 ZINC000341258006 428030686 /nfs/dbraw/zinc/03/06/86/428030686.db2.gz KRKQYHMTZWAFDR-UHFFFAOYSA-N 1 0 324.340 2.977 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000347578021 272802144 /nfs/dbraw/zinc/80/21/44/272802144.db2.gz ATJOZGAKWUYHHN-UHFFFAOYSA-N 1 0 313.357 2.803 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000413269999 428006938 /nfs/dbraw/zinc/00/69/38/428006938.db2.gz VAENXICRWOCIMN-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000341213789 428015598 /nfs/dbraw/zinc/01/55/98/428015598.db2.gz SKWNMQOCGWCGBD-OAHLLOKOSA-N 1 0 313.357 2.935 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3c[nH]nc3C2)ccc1Cl ZINC000369830648 428069990 /nfs/dbraw/zinc/06/99/90/428069990.db2.gz HLHFPHSXSKWEKR-NSHDSACASA-N 1 0 306.753 2.618 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)ccc1Cl ZINC000369830647 428071994 /nfs/dbraw/zinc/07/19/94/428071994.db2.gz HLHFPHSXSKWEKR-LLVKDONJSA-N 1 0 306.753 2.618 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000359908206 428072817 /nfs/dbraw/zinc/07/28/17/428072817.db2.gz WRQQGRAPYFVEHG-LLVKDONJSA-N 1 0 309.366 2.524 20 5 DFBDRO COc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000341466480 428077260 /nfs/dbraw/zinc/07/72/60/428077260.db2.gz QZXOKWLCFFUAJA-RYUDHWBXSA-N 1 0 308.378 2.897 20 5 DFBDRO Cc1c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212270 428085814 /nfs/dbraw/zinc/08/58/14/428085814.db2.gz AATOSRRGFVRCOW-GUYCJALGSA-N 1 0 320.389 2.673 20 5 DFBDRO O=C(N[C@H]1CCC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000369940305 428092941 /nfs/dbraw/zinc/09/29/41/428092941.db2.gz RXWLYADHPNWOMY-NSHDSACASA-N 1 0 319.386 2.681 20 5 DFBDRO COc1cccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975236 428101279 /nfs/dbraw/zinc/10/12/79/428101279.db2.gz RSWJLTWSTRGQOF-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000346271420 428102725 /nfs/dbraw/zinc/10/27/25/428102725.db2.gz DPRKGUOGILUJFF-TZMCWYRMSA-N 1 0 317.389 2.603 20 5 DFBDRO Cc1ccn(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000370030362 428116917 /nfs/dbraw/zinc/11/69/17/428116917.db2.gz KBHXRRVYYJHZIZ-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020994 428119740 /nfs/dbraw/zinc/11/97/40/428119740.db2.gz VNKWINNHERSJCE-DZGCQCFKSA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000352356637 428131841 /nfs/dbraw/zinc/13/18/41/428131841.db2.gz MWSUNEVTVGBGNJ-DGCLKSJQSA-N 1 0 312.373 3.180 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359597 428135481 /nfs/dbraw/zinc/13/54/81/428135481.db2.gz IHQXCJRSMKHCCQ-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352544653 428143953 /nfs/dbraw/zinc/14/39/53/428143953.db2.gz CBXBZNMOEZECSX-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352609535 428169250 /nfs/dbraw/zinc/16/92/50/428169250.db2.gz UMRRLZFSNJYSQP-OCCSQVGLSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@@H]1C[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620681 428174145 /nfs/dbraw/zinc/17/41/45/428174145.db2.gz HAKRZJJAFYRCLP-OLZOCXBDSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000346461510 428181803 /nfs/dbraw/zinc/18/18/03/428181803.db2.gz SILCGZLOCWFUNG-CHWSQXEVSA-N 1 0 320.393 2.850 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[C@@H]1O ZINC000352691354 428206391 /nfs/dbraw/zinc/20/63/91/428206391.db2.gz GJVMLMFKKUHPJN-CABCVRRESA-N 1 0 317.345 2.595 20 5 DFBDRO O=C(CC[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1cc([N+](=O)[O-])ccc1F ZINC000377724446 428209365 /nfs/dbraw/zinc/20/93/65/428209365.db2.gz OTJJWRWCBUCULA-IAQYHMDHSA-N 1 0 321.352 2.937 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360230063 428213802 /nfs/dbraw/zinc/21/38/02/428213802.db2.gz MAJDWBLZYSEKSU-PBHICJAKSA-N 1 0 319.405 2.816 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)ccc1Cl ZINC000377772085 428222956 /nfs/dbraw/zinc/22/29/56/428222956.db2.gz FHPZTPWMHYOONF-SNVBAGLBSA-N 1 0 306.753 2.618 20 5 DFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccc(-n2ccnc2)cc1 ZINC000341867719 428234042 /nfs/dbraw/zinc/23/40/42/428234042.db2.gz DAMOWCFVNIFWJK-UHFFFAOYSA-N 1 0 322.324 2.711 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346666726 428263998 /nfs/dbraw/zinc/26/39/98/428263998.db2.gz YWJHAUYHNVLOLT-DUPGQFARSA-N 1 0 317.389 2.550 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000377937970 428265916 /nfs/dbraw/zinc/26/59/16/428265916.db2.gz AKPIGOJYMCAMHX-HNNXBMFYSA-N 1 0 314.389 2.783 20 5 DFBDRO CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000346691801 428276318 /nfs/dbraw/zinc/27/63/18/428276318.db2.gz WKRMBWAWDCGVGQ-UHFFFAOYSA-N 1 0 317.336 2.613 20 5 DFBDRO CC(C)N1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278358909 273537192 /nfs/dbraw/zinc/53/71/92/273537192.db2.gz BHKMIMWRYMCRTO-XJKSGUPXSA-N 1 0 317.389 2.571 20 5 DFBDRO CC(C)N1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278358900 273538372 /nfs/dbraw/zinc/53/83/72/273538372.db2.gz BHKMIMWRYMCRTO-CJNGLKHVSA-N 1 0 317.389 2.571 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000352884267 428296277 /nfs/dbraw/zinc/29/62/77/428296277.db2.gz RORDGAXOKUZWJD-STQMWFEESA-N 1 0 320.393 2.850 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356622711 428257093 /nfs/dbraw/zinc/25/70/93/428257093.db2.gz CHYFRWBZGVKNFR-SNVBAGLBSA-N 1 0 313.423 2.815 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342113366 428306564 /nfs/dbraw/zinc/30/65/64/428306564.db2.gz GTYLQEPIKJXWAK-PBHICJAKSA-N 1 0 318.373 2.760 20 5 DFBDRO CC(C)[C@@]1(CO)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000378128648 428316216 /nfs/dbraw/zinc/31/62/16/428316216.db2.gz KHNLSJLJDCBRNG-UABRLCRWSA-N 1 0 304.390 2.948 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC(c2ccccc2)C1 ZINC000378160653 428324481 /nfs/dbraw/zinc/32/44/81/428324481.db2.gz RMFDWVAHYMSQIL-UHFFFAOYSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1c(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cccc1[N+](=O)[O-] ZINC000360526322 428332168 /nfs/dbraw/zinc/33/21/68/428332168.db2.gz FDKUIMWIIKJEEM-BZPMIXESSA-N 1 0 319.405 2.781 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(CO)c1ccccc1 ZINC000342230597 428361249 /nfs/dbraw/zinc/36/12/49/428361249.db2.gz QRHHFOYGAMJTEP-GOSISDBHSA-N 1 0 314.385 2.943 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414653357 428364880 /nfs/dbraw/zinc/36/48/80/428364880.db2.gz FDRBBDXNYSIPQU-VXGBXAGGSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414667531 428367619 /nfs/dbraw/zinc/36/76/19/428367619.db2.gz XZYSDYUKFDCUQL-CQSZACIVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000414657070 428368060 /nfs/dbraw/zinc/36/80/60/428368060.db2.gz JKRZUECHRVTSPU-CQSZACIVSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000414659035 428368240 /nfs/dbraw/zinc/36/82/40/428368240.db2.gz MITNITNVGMVJFD-UHFFFAOYSA-N 1 0 306.366 2.686 20 5 DFBDRO Cc1c(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000414691932 428379074 /nfs/dbraw/zinc/37/90/74/428379074.db2.gz CFACXFJTWGAWJR-SMDDNHRTSA-N 1 0 306.366 2.637 20 5 DFBDRO CC(C)([NH3+])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414796052 428413706 /nfs/dbraw/zinc/41/37/06/428413706.db2.gz BORCCDDFAOKARO-UHFFFAOYSA-N 1 0 306.391 2.545 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CC[C@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342288077 428384188 /nfs/dbraw/zinc/38/41/88/428384188.db2.gz LFCRSFJOKKTEHB-UONOGXRCSA-N 1 0 318.352 2.976 20 5 DFBDRO COc1ccc(C[NH2+]Cc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353226762 428437543 /nfs/dbraw/zinc/43/75/43/428437543.db2.gz OFBJLWXYFARPNH-UHFFFAOYSA-N 1 0 312.329 2.770 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928662 428459480 /nfs/dbraw/zinc/45/94/80/428459480.db2.gz NDLCKENXFDQNLG-MLGOLLRUSA-N 1 0 315.373 2.942 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000357281404 428464157 /nfs/dbraw/zinc/46/41/57/428464157.db2.gz BTLGQNUKEMGXRD-GFCCVEGCSA-N 1 0 314.345 2.588 20 5 DFBDRO C[C@@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414941062 428466787 /nfs/dbraw/zinc/46/67/87/428466787.db2.gz ICOSIWVCLDLFHC-VIFPVBQESA-N 1 0 309.753 2.945 20 5 DFBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347038940 428419381 /nfs/dbraw/zinc/41/93/81/428419381.db2.gz JARFWELNOOYTDD-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO CC(C)c1ccc(CN[C@@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000414994473 428482386 /nfs/dbraw/zinc/48/23/86/428482386.db2.gz DKFXQKXEFSOFBN-CQSZACIVSA-N 1 0 313.348 2.805 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000360901765 428486084 /nfs/dbraw/zinc/48/60/84/428486084.db2.gz OZKAEBHIIPKOOG-TXEJJXNPSA-N 1 0 309.414 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCNCC2(F)F)c(Cl)c1 ZINC000415006597 428489246 /nfs/dbraw/zinc/48/92/46/428489246.db2.gz UBQFPZXEZJXMHG-SNVBAGLBSA-N 1 0 319.739 2.583 20 5 DFBDRO C[C@@H]([NH3+])[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415021318 428491208 /nfs/dbraw/zinc/49/12/08/428491208.db2.gz UIOZEMHFRAGTBP-ZJUUUORDSA-N 1 0 306.391 2.544 20 5 DFBDRO C[NH+](C)C1(CNc2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000397803861 428511780 /nfs/dbraw/zinc/51/17/80/428511780.db2.gz WGOUNVISMFRZNC-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000347284333 428529364 /nfs/dbraw/zinc/52/93/64/428529364.db2.gz YQJHWCATRYUKOT-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347285297 428529484 /nfs/dbraw/zinc/52/94/84/428529484.db2.gz MMIGPLPLONHPPI-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000414959095 428471857 /nfs/dbraw/zinc/47/18/57/428471857.db2.gz RTMWVCTVVNKXQP-GOSISDBHSA-N 1 0 311.385 2.880 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342868491 428477504 /nfs/dbraw/zinc/47/75/04/428477504.db2.gz NGPFPWFJTFLLBM-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000343877140 428588530 /nfs/dbraw/zinc/58/85/30/428588530.db2.gz MZQIYYSUSPUKKP-UHFFFAOYSA-N 1 0 308.378 2.801 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415487637 428589414 /nfs/dbraw/zinc/58/94/14/428589414.db2.gz UEJLVGJWSBYYRI-MFKMUULPSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415487634 428589578 /nfs/dbraw/zinc/58/95/78/428589578.db2.gz UEJLVGJWSBYYRI-GWCFXTLKSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415489223 428589796 /nfs/dbraw/zinc/58/97/96/428589796.db2.gz WQUWQPMJJBWJJO-FUNVUKJBSA-N 1 0 318.377 2.616 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000343252654 428540821 /nfs/dbraw/zinc/54/08/21/428540821.db2.gz RDBQFBONHUACPV-YPMHNXCESA-N 1 0 318.377 3.433 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347312110 428540878 /nfs/dbraw/zinc/54/08/78/428540878.db2.gz YNPZYOCYZDXFSC-QMTHXVAHSA-N 1 0 324.356 2.584 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1 ZINC000343358290 428547218 /nfs/dbraw/zinc/54/72/18/428547218.db2.gz HQOBEGLREVTODG-PBWFPOADSA-N 1 0 304.394 2.668 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000373507362 428594014 /nfs/dbraw/zinc/59/40/14/428594014.db2.gz AUWJPGIIYAXIPD-CYBMUJFWSA-N 1 0 316.361 2.504 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000415251963 428554901 /nfs/dbraw/zinc/55/49/01/428554901.db2.gz AMMSANYYFGIAHU-MFKMUULPSA-N 1 0 320.393 2.803 20 5 DFBDRO [NH3+]CCN(Cc1cccc(O)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000353496518 428564525 /nfs/dbraw/zinc/56/45/25/428564525.db2.gz MFJHRENQRKPWEC-UHFFFAOYSA-N 1 0 321.764 2.919 20 5 DFBDRO Cc1cc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415416304 428578539 /nfs/dbraw/zinc/57/85/39/428578539.db2.gz KEBCLHHPDDQFRE-RYUDHWBXSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415579490 428598457 /nfs/dbraw/zinc/59/84/57/428598457.db2.gz KBJRDIFKNUWVGG-ZDUSSCGKSA-N 1 0 320.393 2.865 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262327349 273967134 /nfs/dbraw/zinc/96/71/34/273967134.db2.gz RZCQLHZRHALJTJ-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000353589997 428609443 /nfs/dbraw/zinc/60/94/43/428609443.db2.gz IIQWISJUOYSSKW-CYBMUJFWSA-N 1 0 315.373 2.991 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000415649711 428610245 /nfs/dbraw/zinc/61/02/45/428610245.db2.gz DOMHFTYHYPBOLA-LLVKDONJSA-N 1 0 324.381 2.633 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000373585388 428610543 /nfs/dbraw/zinc/61/05/43/428610543.db2.gz NNZKHYHDFBUNTA-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353611538 428621024 /nfs/dbraw/zinc/62/10/24/428621024.db2.gz YWAWDFGGUWKVGN-ZDUSSCGKSA-N 1 0 315.373 2.991 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000408223280 428621849 /nfs/dbraw/zinc/62/18/49/428621849.db2.gz TYSIGMVQUCPVEU-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000344055588 428621897 /nfs/dbraw/zinc/62/18/97/428621897.db2.gz JQSXVIJWPYFNNO-CYBMUJFWSA-N 1 0 303.362 2.821 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408243265 428626059 /nfs/dbraw/zinc/62/60/59/428626059.db2.gz FJSUDOMLQXNLSV-STQMWFEESA-N 1 0 320.393 2.768 20 5 DFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000071969636 274024741 /nfs/dbraw/zinc/02/47/41/274024741.db2.gz SUHJWDAIPJWAIA-UHFFFAOYSA-N 1 0 304.346 2.879 20 5 DFBDRO COCCOCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279221367 274037680 /nfs/dbraw/zinc/03/76/80/274037680.db2.gz YZQVBCZGPLKUDL-HNNXBMFYSA-N 1 0 308.378 2.570 20 5 DFBDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000354467979 274056323 /nfs/dbraw/zinc/05/63/23/274056323.db2.gz VJGLJKNTZFIBBB-ZDUSSCGKSA-N 1 0 323.393 2.587 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000408329826 428641816 /nfs/dbraw/zinc/64/18/16/428641816.db2.gz OQVPSJJQXMEFOM-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000362181115 428651658 /nfs/dbraw/zinc/65/16/58/428651658.db2.gz ODWZIACRVOTMBZ-WDEREUQCSA-N 1 0 312.341 2.647 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362226932 428665712 /nfs/dbraw/zinc/66/57/12/428665712.db2.gz OXPLCTGWUPENFX-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000122846036 274303522 /nfs/dbraw/zinc/30/35/22/274303522.db2.gz KVLCOVJMNNAQFX-DVOMOZLQSA-N 1 0 317.389 2.678 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348221036 428662512 /nfs/dbraw/zinc/66/25/12/428662512.db2.gz DHOLSLWIYYLKJW-DYVFJYSZSA-N 1 0 320.389 2.863 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000348235059 428670697 /nfs/dbraw/zinc/67/06/97/428670697.db2.gz UBKCIDFNVOQZRN-INIZCTEOSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1[NH+](C)C ZINC000301607327 274364357 /nfs/dbraw/zinc/36/43/57/274364357.db2.gz NSXLJZFQRYIFJF-RNCFNFMXSA-N 1 0 317.311 3.000 20 5 DFBDRO Cc1ccc(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353714120 428673689 /nfs/dbraw/zinc/67/36/89/428673689.db2.gz PUWABIHOBJQMJZ-HOCLYGCPSA-N 1 0 303.406 2.962 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000344829002 428709813 /nfs/dbraw/zinc/70/98/13/428709813.db2.gz QMDAKDGMEPCDKO-UZGISAJGSA-N 1 0 301.390 2.824 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353797235 428720293 /nfs/dbraw/zinc/72/02/93/428720293.db2.gz RFAIWKNRZSOVIT-PJODQICGSA-N 1 0 319.405 2.939 20 5 DFBDRO CC[C@@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000362389618 428729329 /nfs/dbraw/zinc/72/93/29/428729329.db2.gz BMYDTTPYSDNHDF-WBVHZDCISA-N 1 0 322.405 2.847 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000374493057 428684266 /nfs/dbraw/zinc/68/42/66/428684266.db2.gz UGWQTBQPCBCILL-CABZTGNLSA-N 1 0 324.431 3.218 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353883916 428760722 /nfs/dbraw/zinc/76/07/22/428760722.db2.gz RDQPRLIIGGLSOC-SMDDNHRTSA-N 1 0 308.378 2.663 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(C(F)F)CC2)n1 ZINC000359000629 428768458 /nfs/dbraw/zinc/76/84/58/428768458.db2.gz JSGOUYPGAXUYQB-GHMZBOCLSA-N 1 0 314.336 2.910 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411315695 428775513 /nfs/dbraw/zinc/77/55/13/428775513.db2.gz JBZFYLQHVWKAPF-TXEJJXNPSA-N 1 0 321.377 2.805 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348534105 428775729 /nfs/dbraw/zinc/77/57/29/428775729.db2.gz OXIDTESGSSTQNM-PWSUYJOCSA-N 1 0 316.304 2.853 20 5 DFBDRO C[C@H](Cn1cccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000345161951 428780627 /nfs/dbraw/zinc/78/06/27/428780627.db2.gz LWIDCCGQWZRDFI-CQSZACIVSA-N 1 0 302.378 2.792 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294645080 274520242 /nfs/dbraw/zinc/52/02/42/274520242.db2.gz GLGYNFGUANJUJX-SFXCNKRSSA-N 1 0 305.378 2.785 20 5 DFBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000358962921 428751098 /nfs/dbraw/zinc/75/10/98/428751098.db2.gz IBWQMCAOVNFWSS-HNNXBMFYSA-N 1 0 300.362 2.538 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C[N@H+](C)CC3CC3)C2)n1 ZINC000359095073 428815340 /nfs/dbraw/zinc/81/53/40/428815340.db2.gz JMFPSGZTURCFNP-OAHLLOKOSA-N 1 0 318.421 2.775 20 5 DFBDRO C[C@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375243033 428829200 /nfs/dbraw/zinc/82/92/00/428829200.db2.gz SXLRQORRBXUEMM-CJNGLKHVSA-N 1 0 320.389 2.519 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000359136169 428834810 /nfs/dbraw/zinc/83/48/10/428834810.db2.gz GBMIROFSGFDWQD-ZETCQYMHSA-N 1 0 308.256 2.597 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375279975 428841041 /nfs/dbraw/zinc/84/10/41/428841041.db2.gz IARPXOUKNWRLKY-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO C[C@H]1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332407080 274620364 /nfs/dbraw/zinc/62/03/64/274620364.db2.gz YTFDXCIYAALJSW-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363098060 428856965 /nfs/dbraw/zinc/85/69/65/428856965.db2.gz ZISSDKYSPZQVOT-VXGBXAGGSA-N 1 0 323.780 2.605 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108598 428857988 /nfs/dbraw/zinc/85/79/88/428857988.db2.gz UINWNWFQEDTUSQ-VXGBXAGGSA-N 1 0 321.377 2.651 20 5 DFBDRO Cc1c([C@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000363153526 428870970 /nfs/dbraw/zinc/87/09/70/428870970.db2.gz SMSRQLBQXCWOSI-MRXNPFEDSA-N 1 0 300.362 2.974 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000375392801 428873952 /nfs/dbraw/zinc/87/39/52/428873952.db2.gz PBRKBFHYWDNHGX-AWEZNQCLSA-N 1 0 304.325 2.768 20 5 DFBDRO CCc1cnc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348918929 428874617 /nfs/dbraw/zinc/87/46/17/428874617.db2.gz DYWGJLYBUGVWOD-UHFFFAOYSA-N 1 0 306.391 2.579 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000363211092 428883276 /nfs/dbraw/zinc/88/32/76/428883276.db2.gz BVSDHOKADMXAEG-ZIAGYGMSSA-N 1 0 312.373 3.182 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348950873 428885536 /nfs/dbraw/zinc/88/55/36/428885536.db2.gz RDDUWUXXAUUHOT-HNNXBMFYSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000418138795 428888558 /nfs/dbraw/zinc/88/85/58/428888558.db2.gz STKSGZVQKSJICB-MASHWEEQSA-N 1 0 311.332 2.537 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411949978 428892932 /nfs/dbraw/zinc/89/29/32/428892932.db2.gz QUSLOAACLHYSQB-ROUUACIJSA-N 1 0 312.369 2.945 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000363310957 428905207 /nfs/dbraw/zinc/90/52/07/428905207.db2.gz PGWJTSYGQKCOCO-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000354226172 428926085 /nfs/dbraw/zinc/92/60/85/428926085.db2.gz VCMQEDSYLOEKDB-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC000345535760 428926264 /nfs/dbraw/zinc/92/62/64/428926264.db2.gz AGXPRGFDNHZERI-AWEZNQCLSA-N 1 0 305.378 2.604 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412064077 428935293 /nfs/dbraw/zinc/93/52/93/428935293.db2.gz BPTZIMKCEZDVKM-KBPBESRZSA-N 1 0 322.405 2.975 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000361959658 274723642 /nfs/dbraw/zinc/72/36/42/274723642.db2.gz QUSUKHZRQBDLHE-CQSZACIVSA-N 1 0 307.419 2.531 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000349208291 428938721 /nfs/dbraw/zinc/93/87/21/428938721.db2.gz KQTBRNFGWJKXDP-ZBEGNZNMSA-N 1 0 308.378 2.805 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420210985 428948791 /nfs/dbraw/zinc/94/87/91/428948791.db2.gz WSAVAULYDKUMMS-AAEUAGOBSA-N 1 0 318.402 3.258 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420242420 428950410 /nfs/dbraw/zinc/95/04/10/428950410.db2.gz VHZWVBCFRKBNBS-UONOGXRCSA-N 1 0 312.373 3.339 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000420242520 428951315 /nfs/dbraw/zinc/95/13/15/428951315.db2.gz VVSARYLDVDIGJX-CQSZACIVSA-N 1 0 312.373 3.211 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420274139 428955356 /nfs/dbraw/zinc/95/53/56/428955356.db2.gz MOKCDSSRQSOXRN-OCCSQVGLSA-N 1 0 312.373 3.196 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420274141 428955894 /nfs/dbraw/zinc/95/58/94/428955894.db2.gz MOKCDSSRQSOXRN-TZMCWYRMSA-N 1 0 312.373 3.196 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421759110 429027376 /nfs/dbraw/zinc/02/73/76/429027376.db2.gz BTCFUXKDFGPSAX-CYBMUJFWSA-N 1 0 307.394 2.672 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423598065 428981389 /nfs/dbraw/zinc/98/13/89/428981389.db2.gz VKLGMACQVILIBY-MNOVXSKESA-N 1 0 323.418 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000423682207 428995024 /nfs/dbraw/zinc/99/50/24/428995024.db2.gz GJMKRSPRLJBOMU-DZGCQCFKSA-N 1 0 317.389 2.542 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001919 429036267 /nfs/dbraw/zinc/03/62/67/429036267.db2.gz GGAAKMFUXYDCGB-GXTWGEPZSA-N 1 0 308.378 2.597 20 5 DFBDRO Nc1c(F)c(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788207 429051211 /nfs/dbraw/zinc/05/12/11/429051211.db2.gz CNDFOYDBUFIYJM-NSHDSACASA-N 1 0 308.357 2.745 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423978290 429069442 /nfs/dbraw/zinc/06/94/42/429069442.db2.gz QQNALHGFVRJRKE-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352725 429072082 /nfs/dbraw/zinc/07/20/82/429072082.db2.gz AKCZCIQGTRNSBJ-JHNDHUHGSA-N 1 0 317.433 2.894 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424068626 429085027 /nfs/dbraw/zinc/08/50/27/429085027.db2.gz IFIOBOAFFAJHFI-HUBLWGQQSA-N 1 0 319.405 2.603 20 5 DFBDRO CC[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413139012 429147649 /nfs/dbraw/zinc/14/76/49/429147649.db2.gz QINAXPKOPNPKDB-UHFFFAOYSA-N 1 0 318.299 2.541 20 5 DFBDRO Cc1nc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000435585336 429150886 /nfs/dbraw/zinc/15/08/86/429150886.db2.gz SUXFGJZNLVAZOA-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H]3CCOC3)CC2)c1 ZINC000376354337 429099489 /nfs/dbraw/zinc/09/94/89/429099489.db2.gz RYOCQBIAZDCQQL-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000376394601 429104738 /nfs/dbraw/zinc/10/47/38/429104738.db2.gz ATIZTGZGBOPOEF-AEGPPILISA-N 1 0 317.389 2.707 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424293907 429121042 /nfs/dbraw/zinc/12/10/42/429121042.db2.gz DBFCXJRGCMFBOO-UYHFZUPTSA-N 1 0 320.389 2.897 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435230119 429127720 /nfs/dbraw/zinc/12/77/20/429127720.db2.gz NTNBPNBRPZRTQM-MRXNPFEDSA-N 1 0 319.405 2.708 20 5 DFBDRO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452576027 429128846 /nfs/dbraw/zinc/12/88/46/429128846.db2.gz SSWXGUSVUOMSDI-XQQFMLRXSA-N 1 0 305.378 2.645 20 5 DFBDRO COc1ccc(-c2ccc(CN(C)[C@@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435386677 429136511 /nfs/dbraw/zinc/13/65/11/429136511.db2.gz UYJLVKWYAHSBAK-NSHDSACASA-N 1 0 319.361 2.642 20 5 DFBDRO Cc1nc(N2CCC[N@@H+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000363893076 429137071 /nfs/dbraw/zinc/13/70/71/429137071.db2.gz XYRZHFQEVCKGPC-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000376578636 429140847 /nfs/dbraw/zinc/14/08/47/429140847.db2.gz CHEUZZJNKWIWBQ-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364089030 429168968 /nfs/dbraw/zinc/16/89/68/429168968.db2.gz PAWLHIGMOQPOPW-ZIAGYGMSSA-N 1 0 303.362 2.836 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301751705 275033589 /nfs/dbraw/zinc/03/35/89/275033589.db2.gz VDASOEWGWFYYJP-DRZSPHRISA-N 1 0 322.796 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccccc3[C@H]2CO)cc1 ZINC000133890748 275035188 /nfs/dbraw/zinc/03/51/88/275035188.db2.gz VIGQBESRBMDWMY-GOSISDBHSA-N 1 0 312.369 2.729 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1C(F)(F)F ZINC000175105250 275036665 /nfs/dbraw/zinc/03/66/65/275036665.db2.gz CMKRYRKGLYDAGW-LLVKDONJSA-N 1 0 315.295 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCCC[C@@H]4C3)ccc2c1 ZINC000264832881 275038966 /nfs/dbraw/zinc/03/89/66/275038966.db2.gz IEXWSMVVSKCQQT-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)c1 ZINC000185300682 275042048 /nfs/dbraw/zinc/04/20/48/275042048.db2.gz QZVWWQZUSJRYLR-NSHDSACASA-N 1 0 322.315 2.559 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364321097 429181064 /nfs/dbraw/zinc/18/10/64/429181064.db2.gz BEGPMMWXVNEBDH-MRXNPFEDSA-N 1 0 320.389 2.521 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC2(CCC[N@@H+]2C)CC1 ZINC000364635459 429239339 /nfs/dbraw/zinc/23/93/39/429239339.db2.gz MGSCPBIKNVUIJF-UHFFFAOYSA-N 1 0 319.405 2.806 20 5 DFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000364673784 429248012 /nfs/dbraw/zinc/24/80/12/429248012.db2.gz QBBSCLUBEPOSJP-OAHLLOKOSA-N 1 0 314.389 2.794 20 5 DFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCCCC1 ZINC000443436310 429249487 /nfs/dbraw/zinc/24/94/87/429249487.db2.gz JCDMKLAEEDTKKU-LBPRGKRZSA-N 1 0 312.439 3.364 20 5 DFBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682171 429249999 /nfs/dbraw/zinc/24/99/99/429249999.db2.gz NOOAZAUHVFALMM-SJKOYZFVSA-N 1 0 317.389 2.706 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cccnc43)[C@@H]2C1 ZINC000425276336 429255908 /nfs/dbraw/zinc/25/59/08/429255908.db2.gz BKNODERMYWDNLZ-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000456205251 429257371 /nfs/dbraw/zinc/25/73/71/429257371.db2.gz PROFZFYPQPXKMD-UHFFFAOYSA-N 1 0 311.357 2.584 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3c4ccccc4ncc3[N+](=O)[O-])[C@@H]2C1 ZINC000425291198 429259023 /nfs/dbraw/zinc/25/90/23/429259023.db2.gz ZBFITMJWGFLOOB-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO CCOC1CC(O)(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000444007772 429261873 /nfs/dbraw/zinc/26/18/73/429261873.db2.gz FVVFDCGNLBRKLA-UHFFFAOYSA-N 1 0 322.405 2.738 20 5 DFBDRO CC(=O)Nc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000173742542 275496054 /nfs/dbraw/zinc/49/60/54/275496054.db2.gz ZYKZZHCVBHBGOW-UHFFFAOYSA-N 1 0 313.357 2.886 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCCCC1 ZINC000449069157 429322989 /nfs/dbraw/zinc/32/29/89/429322989.db2.gz DXLCNRQQAWQHSZ-OAHLLOKOSA-N 1 0 305.422 2.991 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000446044327 429294845 /nfs/dbraw/zinc/29/48/45/429294845.db2.gz VFLHFUZDNVCOAL-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C(C)C ZINC000446051075 429297195 /nfs/dbraw/zinc/29/71/95/429297195.db2.gz HNAMJTVRHYRQJN-UHFFFAOYSA-N 1 0 313.785 2.627 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365891738 429397695 /nfs/dbraw/zinc/39/76/95/429397695.db2.gz LSBYDOGSDYBGPR-CJNGLKHVSA-N 1 0 321.446 2.779 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513825422 429362778 /nfs/dbraw/zinc/36/27/78/429362778.db2.gz CAWYPLGPCBZZMD-FVQBIDKESA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccccc1 ZINC000449263337 429368553 /nfs/dbraw/zinc/36/85/53/429368553.db2.gz HSKXRBFPXCBRRA-YOEHRIQHSA-N 1 0 314.385 2.719 20 5 DFBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])nc1)CCC(F)(F)F ZINC000491609963 429378491 /nfs/dbraw/zinc/37/84/91/429378491.db2.gz MMNQNSJLZDLDGV-UHFFFAOYSA-N 1 0 306.288 2.676 20 5 DFBDRO COc1cc(C)ccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000449320597 429387941 /nfs/dbraw/zinc/38/79/41/429387941.db2.gz OWDDAWRGKVSNBB-UHFFFAOYSA-N 1 0 315.373 2.877 20 5 DFBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852583 429388819 /nfs/dbraw/zinc/38/88/19/429388819.db2.gz AGYJNASOZVPPTD-GOEBONIOSA-N 1 0 314.389 2.978 20 5 DFBDRO CCc1nnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449331994 429390543 /nfs/dbraw/zinc/39/05/43/429390543.db2.gz BFSBQINJSSOVCF-SNVBAGLBSA-N 1 0 306.391 2.730 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449513243 429439575 /nfs/dbraw/zinc/43/95/75/429439575.db2.gz VPMKKAHODXAKEG-GOEBONIOSA-N 1 0 308.353 2.621 20 5 DFBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366265941 429444928 /nfs/dbraw/zinc/44/49/28/429444928.db2.gz HEVNHIGJCWQMJP-DLBZAZTESA-N 1 0 320.389 2.755 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000366440534 429453292 /nfs/dbraw/zinc/45/32/92/429453292.db2.gz CJXJTHWVWRCBOU-HNNXBMFYSA-N 1 0 309.797 2.776 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449422802 429414075 /nfs/dbraw/zinc/41/40/75/429414075.db2.gz FQPXTIMYGRDNME-INIZCTEOSA-N 1 0 312.373 2.980 20 5 DFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000449425816 429414417 /nfs/dbraw/zinc/41/44/17/429414417.db2.gz SRZULGORKAOTIG-PDCNKGEESA-N 1 0 300.305 2.602 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000426782952 429416113 /nfs/dbraw/zinc/41/61/13/429416113.db2.gz IDPOJZUVMNIHCA-JTQLQIEISA-N 1 0 313.785 2.707 20 5 DFBDRO Cc1cccc(C(=O)NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000457194613 429424160 /nfs/dbraw/zinc/42/41/60/429424160.db2.gz FVFRSFOZOIHDLP-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000519768239 429487334 /nfs/dbraw/zinc/48/73/34/429487334.db2.gz LSUFJVPBALWZEJ-GUYCJALGSA-N 1 0 300.358 2.849 20 5 DFBDRO CC(C)NC(=O)NCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000519821808 429491705 /nfs/dbraw/zinc/49/17/05/429491705.db2.gz JDTKRYWJNUTUKL-UHFFFAOYSA-N 1 0 322.409 2.513 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000520224566 429505404 /nfs/dbraw/zinc/50/54/04/429505404.db2.gz MPFBUEICACOEJN-GJZGRUSLSA-N 1 0 320.389 2.865 20 5 DFBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449783810 429511071 /nfs/dbraw/zinc/51/10/71/429511071.db2.gz RVEFMQUMCGVUHY-ZCGHOXCVSA-N 1 0 302.374 2.965 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)C(C)(C)C[NH+]1CCCCCC1 ZINC000428442686 429521989 /nfs/dbraw/zinc/52/19/89/429521989.db2.gz VEWYYERZEFHTQK-UHFFFAOYSA-N 1 0 322.409 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367025652 429561045 /nfs/dbraw/zinc/56/10/45/429561045.db2.gz CPVSBDAYOJWTEM-ZDUSSCGKSA-N 1 0 314.345 2.845 20 5 DFBDRO CCOc1cc(CN2C[C@H](C)[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492585532 429572144 /nfs/dbraw/zinc/57/21/44/429572144.db2.gz XMILZEGIIMVNJX-UONOGXRCSA-N 1 0 321.421 2.908 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030758 429573541 /nfs/dbraw/zinc/57/35/41/429573541.db2.gz SPOVLGZNLIDALD-CPUCHLNUSA-N 1 0 303.406 2.757 20 5 DFBDRO C[NH+](C)CC(C)(C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450210529 429580345 /nfs/dbraw/zinc/58/03/45/429580345.db2.gz IOKJWHCLFVBIDF-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1C[NH3+] ZINC000429163732 429583178 /nfs/dbraw/zinc/58/31/78/429583178.db2.gz OKOZISGLWHENJC-MFKMUULPSA-N 1 0 317.345 2.540 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000429151477 429583297 /nfs/dbraw/zinc/58/32/97/429583297.db2.gz NNDVASFQYGKGQR-WDEREUQCSA-N 1 0 317.345 2.540 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1snnc1C ZINC000492465293 429543934 /nfs/dbraw/zinc/54/39/34/429543934.db2.gz VPJOCTTVQYZAKZ-UXBLZVDNSA-N 1 0 304.375 2.948 20 5 DFBDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558346 429617248 /nfs/dbraw/zinc/61/72/48/429617248.db2.gz FCJMJAJFVHZQMV-JSGCOSHPSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@](CC)(CO)C2)ccc1[N+](=O)[O-] ZINC000492816843 429623493 /nfs/dbraw/zinc/62/34/93/429623493.db2.gz JBHOLJWDNRZLNO-KRWDZBQOSA-N 1 0 322.405 2.978 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000429685931 429623565 /nfs/dbraw/zinc/62/35/65/429623565.db2.gz XTONKRRQJMRTHJ-HUUCEWRRSA-N 1 0 319.405 2.851 20 5 DFBDRO CC(C)c1cc(NCc2cccc([N+](=O)[O-])c2)nc(N(C)C)[nH+]1 ZINC000524686123 429630842 /nfs/dbraw/zinc/63/08/42/429630842.db2.gz GKDZIFJKAISQSR-UHFFFAOYSA-N 1 0 315.377 3.186 20 5 DFBDRO CC(C)[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000450477497 429637580 /nfs/dbraw/zinc/63/75/80/429637580.db2.gz BIBMMIKKWFTSFE-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CC(C)[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000450478223 429638352 /nfs/dbraw/zinc/63/83/52/429638352.db2.gz DYMUUTPZGYXCQL-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450334531 429602288 /nfs/dbraw/zinc/60/22/88/429602288.db2.gz SRPDEZUGMUEREC-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)[C@H]1C(C)C ZINC000429388777 429605737 /nfs/dbraw/zinc/60/57/37/429605737.db2.gz WNAVXFMJHDFJOS-HOCLYGCPSA-N 1 0 320.389 2.923 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000450353353 429606648 /nfs/dbraw/zinc/60/66/48/429606648.db2.gz YOAKRWUWQMATKV-VXGBXAGGSA-N 1 0 317.393 2.780 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430196757 429660954 /nfs/dbraw/zinc/66/09/54/429660954.db2.gz SGYGHYSBBIRURU-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000430219530 429664499 /nfs/dbraw/zinc/66/44/99/429664499.db2.gz OBSZWKMKZIFIKV-LRDDRELGSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000430227516 429665995 /nfs/dbraw/zinc/66/59/95/429665995.db2.gz RJMMWIAPKWJKBL-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279135111 276068167 /nfs/dbraw/zinc/06/81/67/276068167.db2.gz RJWCEZUFCHLUFO-XHDPSFHLSA-N 1 0 319.405 2.774 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267054938 276170103 /nfs/dbraw/zinc/17/01/03/276170103.db2.gz OPJDHFOXBWQNRE-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359083712 276225781 /nfs/dbraw/zinc/22/57/81/276225781.db2.gz PJBKMDFTIQFPJZ-KBPBESRZSA-N 1 0 306.410 2.916 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430566853 429694113 /nfs/dbraw/zinc/69/41/13/429694113.db2.gz DKTSZAONYICCJZ-CJNGLKHVSA-N 1 0 321.421 2.941 20 5 DFBDRO CCOc1cccc(N2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000302238671 276381173 /nfs/dbraw/zinc/38/11/73/276381173.db2.gz WUWQDRYBIUCSRB-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493291963 429729271 /nfs/dbraw/zinc/72/92/71/429729271.db2.gz BPJXHGUZTXZEER-DEBLGDTFSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000431554633 429769946 /nfs/dbraw/zinc/76/99/46/429769946.db2.gz DGBOUUNNTOHESZ-GXTWGEPZSA-N 1 0 322.409 2.553 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000431570712 429770917 /nfs/dbraw/zinc/77/09/17/429770917.db2.gz NUERZEGHFNBLBK-QWHCGFSZSA-N 1 0 322.409 2.553 20 5 DFBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451144707 429775346 /nfs/dbraw/zinc/77/53/46/429775346.db2.gz JFNZICLKYJQKDS-HBNTYKKESA-N 1 0 320.315 2.843 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000451649802 429868723 /nfs/dbraw/zinc/86/87/23/429868723.db2.gz SXSLQJALVSGEAJ-HNNXBMFYSA-N 1 0 308.403 2.801 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000451485349 429834270 /nfs/dbraw/zinc/83/42/70/429834270.db2.gz COSZJOKDPUMKBQ-OLZOCXBDSA-N 1 0 300.305 2.776 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451504661 429837094 /nfs/dbraw/zinc/83/70/94/429837094.db2.gz JNEFDFPHCZODLQ-VQISRLSMSA-N 1 0 308.378 2.753 20 5 DFBDRO CCO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451521112 429840676 /nfs/dbraw/zinc/84/06/76/429840676.db2.gz CUJCBMNEWWJQNO-XJKSGUPXSA-N 1 0 308.378 2.721 20 5 DFBDRO CCO[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000451524944 429841249 /nfs/dbraw/zinc/84/12/49/429841249.db2.gz FMDRXMARRVIBKY-IAQYHMDHSA-N 1 0 318.377 2.718 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368448614 429851609 /nfs/dbraw/zinc/85/16/09/429851609.db2.gz CJPQIKWQXQDEFN-WBMJQRKESA-N 1 0 317.389 2.718 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[N@@H+]4CCCC[C@@H]4C3)ccnc21 ZINC000432310941 429813286 /nfs/dbraw/zinc/81/32/86/429813286.db2.gz KAJHBGNVWNSDTB-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000361213683 276629493 /nfs/dbraw/zinc/62/94/93/276629493.db2.gz ZKOXTWBFKWWGFC-DZGCQCFKSA-N 1 0 321.421 2.620 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCn3ccnc3C2)ccc1Cl ZINC000369348636 429928685 /nfs/dbraw/zinc/92/86/85/429928685.db2.gz JPPUUUCAENQFGL-GFCCVEGCSA-N 1 0 320.780 2.797 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3nccn3C2)c1 ZINC000368846983 429898645 /nfs/dbraw/zinc/89/86/45/429898645.db2.gz VNVWAMNEQCLANC-LLVKDONJSA-N 1 0 306.753 2.549 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC23CCCCC3)c1 ZINC000368898012 429900814 /nfs/dbraw/zinc/90/08/14/429900814.db2.gz VTAISXBBCRJXLW-OAHLLOKOSA-N 1 0 320.389 2.743 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000369019572 429907884 /nfs/dbraw/zinc/90/78/84/429907884.db2.gz QNHPIGOQAGVNOB-HNNXBMFYSA-N 1 0 300.362 2.671 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000369095341 429912202 /nfs/dbraw/zinc/91/22/02/429912202.db2.gz JNRWOVILWZZHGH-CYBMUJFWSA-N 1 0 323.418 2.747 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)c1ccsc1 ZINC000573137357 429929082 /nfs/dbraw/zinc/92/90/82/429929082.db2.gz LWDOLVHRDAMRHO-UONOGXRCSA-N 1 0 304.371 2.967 20 5 DFBDRO COc1cc(C[N@@H+]2CCSC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000451658505 429869832 /nfs/dbraw/zinc/86/98/32/429869832.db2.gz XUYSWPQTHNNNSE-CQSZACIVSA-N 1 0 308.403 2.931 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451694310 429873286 /nfs/dbraw/zinc/87/32/86/429873286.db2.gz BCXBGUQXILHUKV-RBSFLKMASA-N 1 0 320.389 2.586 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000451700507 429875336 /nfs/dbraw/zinc/87/53/36/429875336.db2.gz GKSNHXVZEOLACM-KBMXLJTQSA-N 1 0 304.390 2.886 20 5 DFBDRO CC[C@H]1CN(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCO1 ZINC000494498100 429875953 /nfs/dbraw/zinc/87/59/53/429875953.db2.gz VACIGOWHCGPCAC-GJZGRUSLSA-N 1 0 321.421 2.665 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000558492638 429974468 /nfs/dbraw/zinc/97/44/68/429974468.db2.gz DNBILEOQOFFCQZ-YRBHFNIASA-N 1 0 312.373 2.868 20 5 DFBDRO CC(C)CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000574072249 430007499 /nfs/dbraw/zinc/00/74/99/430007499.db2.gz SNVGAVXLNQPWBK-HNNXBMFYSA-N 1 0 322.405 2.750 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146701 430014701 /nfs/dbraw/zinc/01/47/01/430014701.db2.gz FKQHKTUFMBGDQQ-XJKSGUPXSA-N 1 0 319.405 2.689 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CSC[C@@H]1C ZINC000560585408 430056964 /nfs/dbraw/zinc/05/69/64/430056964.db2.gz MKTDZKSCIQCCFV-WDMOLILDSA-N 1 0 323.418 2.653 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000562373181 430124765 /nfs/dbraw/zinc/12/47/65/430124765.db2.gz CLPUYTHHTLHMCW-HNNXBMFYSA-N 1 0 308.378 2.634 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000364184501 277033179 /nfs/dbraw/zinc/03/31/79/277033179.db2.gz BNJPJHHGZDQCCF-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000374913738 277066082 /nfs/dbraw/zinc/06/60/82/277066082.db2.gz OEQOVFFGSPCLLQ-HZPDHXFCSA-N 1 0 307.369 2.793 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017358 277066107 /nfs/dbraw/zinc/06/61/07/277066107.db2.gz IOBJURXZGDRKCG-CHWSQXEVSA-N 1 0 310.785 2.706 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000154087311 277070457 /nfs/dbraw/zinc/07/04/57/277070457.db2.gz OCLSNUSODFWJQX-PWSUYJOCSA-N 1 0 310.785 2.564 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292881157 277072508 /nfs/dbraw/zinc/07/25/08/277072508.db2.gz UTHXZVXRHMTNON-OAHLLOKOSA-N 1 0 311.332 2.795 20 5 DFBDRO CC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286441845 277112052 /nfs/dbraw/zinc/11/20/52/277112052.db2.gz SQYYWJUAYYJZSQ-WFASDCNBSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581228374 430191020 /nfs/dbraw/zinc/19/10/20/430191020.db2.gz OUBQNIQSGNKHEZ-CQSZACIVSA-N 1 0 319.405 2.546 20 5 DFBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282761223 277145699 /nfs/dbraw/zinc/14/56/99/277145699.db2.gz OGKKYYYVNOPDRR-BFQNTYOBSA-N 1 0 306.362 2.787 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000364314192 277146731 /nfs/dbraw/zinc/14/67/31/277146731.db2.gz ZHVDEEGIPSIUMS-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000236578281 277267049 /nfs/dbraw/zinc/26/70/49/277267049.db2.gz OMTISHWUJMRTKP-GXTWGEPZSA-N 1 0 319.405 2.750 20 5 DFBDRO C[C@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@@H+]1C1CC1 ZINC000581485438 430214312 /nfs/dbraw/zinc/21/43/12/430214312.db2.gz VEHIYDMKQTWPPC-AAEUAGOBSA-N 1 0 316.405 2.906 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)c(Cl)c1 ZINC000544369794 430278854 /nfs/dbraw/zinc/27/88/54/430278854.db2.gz CDJQWNSBNTXAMY-LLVKDONJSA-N 1 0 324.764 2.782 20 5 DFBDRO C[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000582460906 430301280 /nfs/dbraw/zinc/30/12/80/430301280.db2.gz ABTIAYXTGPAMRC-CYBMUJFWSA-N 1 0 319.405 2.641 20 5 DFBDRO CC(C)Oc1nc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000582616682 430317866 /nfs/dbraw/zinc/31/78/66/430317866.db2.gz OYUSUAVNBZKODZ-CYBMUJFWSA-N 1 0 322.409 2.698 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000568643344 430378464 /nfs/dbraw/zinc/37/84/64/430378464.db2.gz HXPIZRPLOMMZBM-TZMCWYRMSA-N 1 0 307.394 2.694 20 5 DFBDRO Cc1c(NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cccc1[N+](=O)[O-] ZINC000569607487 430470160 /nfs/dbraw/zinc/47/01/60/430470160.db2.gz PVBFKJDDDUQSPV-BLLLJJGKSA-N 1 0 303.362 2.622 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000569891751 430495613 /nfs/dbraw/zinc/49/56/13/430495613.db2.gz CRUXEWLEFQRZCR-XIRDDKMYSA-N 1 0 318.417 2.914 20 5 DFBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570291591 430531822 /nfs/dbraw/zinc/53/18/22/430531822.db2.gz IFQNOIBECHVQNF-ZUZCIYMTSA-N 1 0 300.362 2.975 20 5 DFBDRO C[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000616058739 430583186 /nfs/dbraw/zinc/58/31/86/430583186.db2.gz NERYQHBKJRZLJX-GFCCVEGCSA-N 1 0 314.389 3.285 20 5 DFBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095620 430628306 /nfs/dbraw/zinc/62/83/06/430628306.db2.gz RLSCJIZVQQPVQU-OFQRWUPVSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CSC[C@H]1C ZINC000556924061 430695922 /nfs/dbraw/zinc/69/59/22/430695922.db2.gz HNOFUZWQXXBXNC-GYSYKLTISA-N 1 0 323.418 2.653 20 5 DFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000268282235 278804333 /nfs/dbraw/zinc/80/43/33/278804333.db2.gz WPKCVSIIRJAPEU-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1cccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264575827 278911319 /nfs/dbraw/zinc/91/13/19/278911319.db2.gz IMCILVUCSQFHTQ-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000357938554 279381468 /nfs/dbraw/zinc/38/14/68/279381468.db2.gz RTCUERWIEHDTBW-QWHCGFSZSA-N 1 0 322.409 2.684 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358292083 279515300 /nfs/dbraw/zinc/51/53/00/279515300.db2.gz GXKUTFBEAXLRLD-DZGCQCFKSA-N 1 0 320.389 2.974 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000376259889 279952027 /nfs/dbraw/zinc/95/20/27/279952027.db2.gz IDVGJMOHZLEUOM-CMPLNLGQSA-N 1 0 311.332 2.936 20 5 DFBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H]1C ZINC000262867552 280050075 /nfs/dbraw/zinc/05/00/75/280050075.db2.gz URSZIHSVXVFOQJ-NXEZZACHSA-N 1 0 319.386 2.632 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358268708 280957094 /nfs/dbraw/zinc/95/70/94/280957094.db2.gz SLXJZYVMRVRFBU-SOUVJXGZSA-N 1 0 305.378 2.550 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375328450 281022697 /nfs/dbraw/zinc/02/26/97/281022697.db2.gz NXQOYASVNMPMAQ-JSGCOSHPSA-N 1 0 301.350 2.503 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106789819 281195166 /nfs/dbraw/zinc/19/51/66/281195166.db2.gz ROLJFWPRYPZGJY-ZDUSSCGKSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364099493 281231115 /nfs/dbraw/zinc/23/11/15/281231115.db2.gz VCQPVKOTPPOLMY-KKUMJFAQSA-N 1 0 301.390 2.824 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000274842951 282024911 /nfs/dbraw/zinc/02/49/11/282024911.db2.gz UPXFSKNCYNYUMS-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415755363 289130507 /nfs/dbraw/zinc/13/05/07/289130507.db2.gz CRGRKPXLRTYXEO-WCQYABFASA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415763211 289132558 /nfs/dbraw/zinc/13/25/58/289132558.db2.gz NUJRVDJKGUQNTJ-GXTWGEPZSA-N 1 0 320.393 2.796 20 5 DFBDRO Cc1ccnc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000373959478 292769405 /nfs/dbraw/zinc/76/94/05/292769405.db2.gz RYAUASONSTVINZ-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO COC[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000272678482 293108732 /nfs/dbraw/zinc/10/87/32/293108732.db2.gz MLAXKYPPVOGLCG-VNQPRFMTSA-N 1 0 322.405 2.557 20 5 DFBDRO COc1cccc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292290699 295305522 /nfs/dbraw/zinc/30/55/22/295305522.db2.gz MYWSZKJZOYWYEA-ZDUSSCGKSA-N 1 0 319.405 2.914 20 5 DFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495479090 299930827 /nfs/dbraw/zinc/93/08/27/299930827.db2.gz GYYDMQYRXLLXKP-TZMCWYRMSA-N 1 0 321.377 2.551 20 5 DFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411953672 295570760 /nfs/dbraw/zinc/57/07/60/295570760.db2.gz SAICKLWEOCMUHC-WBMJQRKESA-N 1 0 308.378 2.767 20 5 DFBDRO C[NH+](C)C[C@](C)(O)CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000439170658 297117707 /nfs/dbraw/zinc/11/77/07/297117707.db2.gz QXCHZWLZKKVDBB-GFCCVEGCSA-N 1 0 322.192 2.626 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000440900025 297168229 /nfs/dbraw/zinc/16/82/29/297168229.db2.gz VJLNTYWOFICGBN-UHFFFAOYSA-N 1 0 308.378 2.849 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000441192541 297174979 /nfs/dbraw/zinc/17/49/79/297174979.db2.gz DTVQXKKJYNEYOW-HUUCEWRRSA-N 1 0 320.389 2.722 20 5 DFBDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346841 297220157 /nfs/dbraw/zinc/22/01/57/297220157.db2.gz WUDFDCDERDHHCU-CPUCHLNUSA-N 1 0 322.405 2.845 20 5 DFBDRO CO[C@H](C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444650530 297243452 /nfs/dbraw/zinc/24/34/52/297243452.db2.gz OZRNKMSKQUHIDG-LLVKDONJSA-N 1 0 306.366 2.716 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCO1 ZINC000444679974 297244542 /nfs/dbraw/zinc/24/45/42/297244542.db2.gz OCRQHZFPPFUEMB-SMDDNHRTSA-N 1 0 304.350 2.518 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750197 297248464 /nfs/dbraw/zinc/24/84/64/297248464.db2.gz YZSFRYGZVGJPBN-HOCLYGCPSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515285 297306038 /nfs/dbraw/zinc/30/60/38/297306038.db2.gz BNAGWCLXGJLINB-UONOGXRCSA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cccnc2)n1 ZINC000447530891 297306830 /nfs/dbraw/zinc/30/68/30/297306830.db2.gz PJRIDXLVOYZVFP-HUUCEWRRSA-N 1 0 315.377 2.502 20 5 DFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528346 297307044 /nfs/dbraw/zinc/30/70/44/297307044.db2.gz IXIUAWJWRXOJQB-KNCOVGOOSA-N 1 0 324.425 2.662 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cscn2)n1 ZINC000447559586 297308408 /nfs/dbraw/zinc/30/84/08/297308408.db2.gz AASRSEWFTYDUGU-NWDGAFQWSA-N 1 0 307.379 2.521 20 5 DFBDRO CSCC[C@@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587603 297309540 /nfs/dbraw/zinc/30/95/40/297309540.db2.gz QWYNIXHWVSICCA-WFASDCNBSA-N 1 0 310.419 2.676 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CC(F)(F)C2)n1 ZINC000447597177 297309994 /nfs/dbraw/zinc/30/99/94/297309994.db2.gz FQMKFZXTENIPCX-GHMZBOCLSA-N 1 0 300.309 2.662 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834005 297319517 /nfs/dbraw/zinc/31/95/17/297319517.db2.gz VLNZJVGFWKYOAO-GDBMZVCRSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCSC1 ZINC000448022930 297329539 /nfs/dbraw/zinc/32/95/39/297329539.db2.gz QQDSCMHSSMAVNO-RYUDHWBXSA-N 1 0 323.418 2.655 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449079663 297402390 /nfs/dbraw/zinc/40/23/90/297402390.db2.gz ZTGNCZKGOVHOTQ-NEPJUHHUSA-N 1 0 302.378 2.919 20 5 DFBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131090 297410582 /nfs/dbraw/zinc/41/05/82/297410582.db2.gz JYUKWZKPNAVIQX-RYUDHWBXSA-N 1 0 302.378 2.919 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCCC1=O ZINC000449132865 297410633 /nfs/dbraw/zinc/41/06/33/297410633.db2.gz BWSIZXRIVAUBPZ-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000449191098 297420401 /nfs/dbraw/zinc/42/04/01/297420401.db2.gz OYLCPYLCLOYGRW-CYBMUJFWSA-N 1 0 305.378 2.508 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)cc1 ZINC000449538136 297488620 /nfs/dbraw/zinc/48/86/20/297488620.db2.gz KFSGGDQQTXSJJS-DOTOQJQBSA-N 1 0 313.357 3.000 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000449638116 297504357 /nfs/dbraw/zinc/50/43/57/297504357.db2.gz JGVNNRXAIJIAOO-MNOVXSKESA-N 1 0 323.418 2.564 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000449685561 297512619 /nfs/dbraw/zinc/51/26/19/297512619.db2.gz SNBHMCRRZWDZLU-CYBMUJFWSA-N 1 0 308.378 2.900 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449713102 297517694 /nfs/dbraw/zinc/51/76/94/297517694.db2.gz VXVIBQFLVPRSCP-ONGXEEELSA-N 1 0 319.386 2.667 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000451475769 297811244 /nfs/dbraw/zinc/81/12/44/297811244.db2.gz DDKZTHVALZKPOT-FVQBIDKESA-N 1 0 320.389 2.897 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@H]21 ZINC000451481734 297813236 /nfs/dbraw/zinc/81/32/36/297813236.db2.gz UPTALQBYDWOZFU-BZUAXINKSA-N 1 0 320.389 2.767 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451483506 297813857 /nfs/dbraw/zinc/81/38/57/297813857.db2.gz XZQUSASJKOMQLZ-WQVCFCJDSA-N 1 0 320.389 2.897 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000454350484 298159897 /nfs/dbraw/zinc/15/98/97/298159897.db2.gz CMVOWLIURBDHDF-GFCCVEGCSA-N 1 0 324.356 2.680 20 5 DFBDRO CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000458514694 298944339 /nfs/dbraw/zinc/94/43/39/298944339.db2.gz RKWWJYILKODUKD-AWEZNQCLSA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496127385 300018855 /nfs/dbraw/zinc/01/88/55/300018855.db2.gz WEEQKYWAKPWTQP-CYBMUJFWSA-N 1 0 321.377 2.696 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)c2ncccc12 ZINC000515145779 300292385 /nfs/dbraw/zinc/29/23/85/300292385.db2.gz BVPCXWQKATTWHO-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC000515311215 300300233 /nfs/dbraw/zinc/30/02/33/300300233.db2.gz CKTBOJVAWQLFEV-BBRMVZONSA-N 1 0 320.389 2.615 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC23CCC(CC2)C3)c1 ZINC000515414691 300306076 /nfs/dbraw/zinc/30/60/76/300306076.db2.gz MFPYMFZNDVGRDQ-GNHJJJEISA-N 1 0 320.389 2.504 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000516313332 300339695 /nfs/dbraw/zinc/33/96/95/300339695.db2.gz PKTWBIVLUCFJIY-JTQLQIEISA-N 1 0 302.334 2.553 20 5 DFBDRO CC(C)[NH2+]CCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000516555965 300348179 /nfs/dbraw/zinc/34/81/79/300348179.db2.gz RMAOMZMOGGLFAL-UHFFFAOYSA-N 1 0 306.288 2.809 20 5 DFBDRO Cc1cccc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000516663690 300354961 /nfs/dbraw/zinc/35/49/61/300354961.db2.gz XWPPHKLNCYYQFC-OAHLLOKOSA-N 1 0 319.405 2.594 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000517230698 300388588 /nfs/dbraw/zinc/38/85/88/300388588.db2.gz NUOBGAMRPKRNQJ-CYBMUJFWSA-N 1 0 307.394 2.623 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519737834 300473100 /nfs/dbraw/zinc/47/31/00/300473100.db2.gz MPQDOWCIDZDKFR-STQMWFEESA-N 1 0 307.394 2.545 20 5 DFBDRO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000521717671 300535467 /nfs/dbraw/zinc/53/54/67/300535467.db2.gz GOUWANQRWRNWAT-CFVMTHIKSA-N 1 0 319.405 2.687 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccccc3F)CC2)n1 ZINC000531143326 301081687 /nfs/dbraw/zinc/08/16/87/301081687.db2.gz PQVFCYZQYIUGEA-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531989155 301123840 /nfs/dbraw/zinc/12/38/40/301123840.db2.gz IGZVPSGJTSRVFI-CJNGLKHVSA-N 1 0 316.357 2.685 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C2CCC1CC2 ZINC000532915523 301177103 /nfs/dbraw/zinc/17/71/03/301177103.db2.gz PPYUDQVNQXJCEA-UHFFFAOYSA-N 1 0 303.362 2.859 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000408171912 301203544 /nfs/dbraw/zinc/20/35/44/301203544.db2.gz PIQZJNUGQXFYMD-ZIAGYGMSSA-N 1 0 304.394 2.527 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000534751631 301236961 /nfs/dbraw/zinc/23/69/61/301236961.db2.gz KOEXLJJTHUYAGL-RDJZCZTQSA-N 1 0 320.389 2.849 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000537292426 301297646 /nfs/dbraw/zinc/29/76/46/301297646.db2.gz XLPCMYQUCMWQJI-AWEZNQCLSA-N 1 0 323.393 2.956 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000540903918 301373655 /nfs/dbraw/zinc/37/36/55/301373655.db2.gz JSMKRSLGEQBLEY-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000541850660 301398856 /nfs/dbraw/zinc/39/88/56/301398856.db2.gz KJSNPJKZPYEHJY-LBPRGKRZSA-N 1 0 324.377 2.684 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000544857802 301459856 /nfs/dbraw/zinc/45/98/56/301459856.db2.gz OWLXFPPIIRFHTB-VIFPVBQESA-N 1 0 303.309 2.948 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@@H]2C(F)F)n1 ZINC000554374669 301733381 /nfs/dbraw/zinc/73/33/81/301733381.db2.gz WGBCQBKNHBZZAH-NAKRPEOUSA-N 1 0 300.309 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562838004 302007824 /nfs/dbraw/zinc/00/78/24/302007824.db2.gz YDJXLKWVBKDEOM-DLBZAZTESA-N 1 0 319.405 2.580 20 5 DFBDRO Cc1cnc(OC[C@H](C[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000563081723 302035722 /nfs/dbraw/zinc/03/57/22/302035722.db2.gz ROPRCLXNCYRPGB-LBPRGKRZSA-N 1 0 305.309 2.559 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CO1 ZINC000563121492 302038799 /nfs/dbraw/zinc/03/87/99/302038799.db2.gz CINHYSZKGBGSJP-JQWIXIFHSA-N 1 0 319.386 2.985 20 5 DFBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000563548735 302082665 /nfs/dbraw/zinc/08/26/65/302082665.db2.gz LKWRDRNSJFMPBJ-UHFFFAOYSA-N 1 0 322.409 2.744 20 5 DFBDRO C=Cn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000563838195 302102010 /nfs/dbraw/zinc/10/20/10/302102010.db2.gz VTYKNGHFOOINLC-UHFFFAOYSA-N 1 0 311.345 2.705 20 5 DFBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564442802 302134807 /nfs/dbraw/zinc/13/48/07/302134807.db2.gz HWEZDBGKZJKEBV-TZMCWYRMSA-N 1 0 305.378 2.948 20 5 DFBDRO [NH3+]CCN(Cc1cccc(F)c1F)c1ccccc1[N+](=O)[O-] ZINC000564611448 302144457 /nfs/dbraw/zinc/14/44/57/302144457.db2.gz CANFEDMOZJSMGY-UHFFFAOYSA-N 1 0 307.300 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564727153 302153949 /nfs/dbraw/zinc/15/39/49/302153949.db2.gz VUMKISSYXIHFFX-OAHLLOKOSA-N 1 0 313.357 2.858 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000565158053 302198896 /nfs/dbraw/zinc/19/88/96/302198896.db2.gz QJCSWKAUCUUZPR-UHFFFAOYSA-N 1 0 322.409 2.603 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000565217207 302208338 /nfs/dbraw/zinc/20/83/38/302208338.db2.gz LAEQVTVLCQCMCM-CGTJXYLNSA-N 1 0 310.353 2.830 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000565217212 302208356 /nfs/dbraw/zinc/20/83/56/302208356.db2.gz LAEQVTVLCQCMCM-RYQLBKOJSA-N 1 0 310.353 2.830 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000565879895 302246324 /nfs/dbraw/zinc/24/63/24/302246324.db2.gz YSPCFNKHQNBQNI-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000566287132 302274422 /nfs/dbraw/zinc/27/44/22/302274422.db2.gz XJEIWQGVHKWEMP-LBPRGKRZSA-N 1 0 320.393 2.840 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000566908603 302321388 /nfs/dbraw/zinc/32/13/88/302321388.db2.gz YSQSKLUICVZTGZ-AWEZNQCLSA-N 1 0 319.405 2.672 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000567302752 302348209 /nfs/dbraw/zinc/34/82/09/302348209.db2.gz RXJRWNHDXWNUHX-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000567594678 302371644 /nfs/dbraw/zinc/37/16/44/302371644.db2.gz AIDQHFNARAUYRP-UHFFFAOYSA-N 1 0 320.320 2.911 20 5 DFBDRO C[C@H]1CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000567689074 302379926 /nfs/dbraw/zinc/37/99/26/302379926.db2.gz BSRJCMHEJXXLSB-UMVBOHGHSA-N 1 0 322.405 2.749 20 5 DFBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CC[NH2+]C1 ZINC000567864299 302394449 /nfs/dbraw/zinc/39/44/49/302394449.db2.gz XDZLZXZOBAGWNX-CQSZACIVSA-N 1 0 318.402 2.512 20 5 DFBDRO CCc1ccc(C(=O)NCC2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000570192738 302561382 /nfs/dbraw/zinc/56/13/82/302561382.db2.gz SYGOXXXFZAGSQW-UHFFFAOYSA-N 1 0 319.405 2.619 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000572115927 302643663 /nfs/dbraw/zinc/64/36/63/302643663.db2.gz DUYRGTHLZJXVET-CQSZACIVSA-N 1 0 318.421 2.789 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000573458957 302706353 /nfs/dbraw/zinc/70/63/53/302706353.db2.gz LJYWJJZCZGJRPE-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574444960 302759073 /nfs/dbraw/zinc/75/90/73/302759073.db2.gz JHLHWIRVAIEWMY-GZBFAFLISA-N 1 0 310.394 2.749 20 5 DFBDRO CC(C)(C)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000172032597 315941251 /nfs/dbraw/zinc/94/12/51/315941251.db2.gz VNPFROOWMFXZIU-UHFFFAOYSA-N 1 0 319.405 2.952 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173372265 315956915 /nfs/dbraw/zinc/95/69/15/315956915.db2.gz NAFGJTDXDYSCTN-QGLTVNCISA-N 1 0 305.378 2.693 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182295315 316094743 /nfs/dbraw/zinc/09/47/43/316094743.db2.gz VMCKNWKPJMQNDM-HIFRSBDPSA-N 1 0 324.377 2.529 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183039025 316127986 /nfs/dbraw/zinc/12/79/86/316127986.db2.gz CCODYFYMUSHKAQ-NWDGAFQWSA-N 1 0 323.393 2.956 20 5 DFBDRO O=[N+]([O-])c1ccccc1Cc1noc(C23CCC[NH+]2CCC3)n1 ZINC000351187808 316483922 /nfs/dbraw/zinc/48/39/22/316483922.db2.gz KSFOOWIOGITMPU-UHFFFAOYSA-N 1 0 314.345 2.654 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)cc1[N+](=O)[O-] ZINC000414543104 316623083 /nfs/dbraw/zinc/62/30/83/316623083.db2.gz YXVFFOGXHRXLRU-YPMHNXCESA-N 1 0 300.305 2.542 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000435272797 316925136 /nfs/dbraw/zinc/92/51/36/316925136.db2.gz SZOSRTFVBBPWMG-PPHUUTPLSA-N 1 0 318.373 2.929 20 5 DFBDRO COC[C@@](C)(O)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449387769 317036826 /nfs/dbraw/zinc/03/68/26/317036826.db2.gz YAHOVLJUWBNRFE-INIZCTEOSA-N 1 0 310.394 2.595 20 5 DFBDRO Cc1nc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450260732 317076888 /nfs/dbraw/zinc/07/68/88/317076888.db2.gz DWDDDGIFSWKYQF-SCRDCRAPSA-N 1 0 319.409 2.535 20 5 DFBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453167271 317167869 /nfs/dbraw/zinc/16/78/69/317167869.db2.gz AEVSXJKGWCMMRJ-BBRMVZONSA-N 1 0 306.406 2.913 20 5 DFBDRO COc1cc(C[NH2+]CCOCC2CCCC2)c([N+](=O)[O-])cc1O ZINC000453581850 317190486 /nfs/dbraw/zinc/19/04/86/317190486.db2.gz HZFYGCKDSLCUCN-UHFFFAOYSA-N 1 0 324.377 2.605 20 5 DFBDRO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000488071907 317364596 /nfs/dbraw/zinc/36/45/96/317364596.db2.gz SUUMMLNHGFZBPN-LBPRGKRZSA-N 1 0 316.405 2.953 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488074907 317364675 /nfs/dbraw/zinc/36/46/75/317364675.db2.gz JVQWRBPTBPNFCZ-IUODEOHRSA-N 1 0 314.389 2.706 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488133159 317369209 /nfs/dbraw/zinc/36/92/09/317369209.db2.gz ZBYREDDGMGLEPA-OLZOCXBDSA-N 1 0 314.389 2.850 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000491806322 317593176 /nfs/dbraw/zinc/59/31/76/317593176.db2.gz GWFDFKIDKJGVSO-OCCSQVGLSA-N 1 0 308.378 2.898 20 5 DFBDRO CCOc1cc(CN2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000575427736 318077279 /nfs/dbraw/zinc/07/72/79/318077279.db2.gz ZUZNKSNLBZJIFS-LSDHHAIUSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575917018 318091354 /nfs/dbraw/zinc/09/13/54/318091354.db2.gz FWAWCAPHOOHANG-RRQGHBQHSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1nccn1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576052626 318100634 /nfs/dbraw/zinc/10/06/34/318100634.db2.gz QISINBFJMUILIZ-HNNXBMFYSA-N 1 0 300.362 2.767 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000576471198 318128879 /nfs/dbraw/zinc/12/88/79/318128879.db2.gz DKAVPLOHFOGWTJ-CHWSQXEVSA-N 1 0 302.378 2.919 20 5 DFBDRO CCCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000576863896 318155694 /nfs/dbraw/zinc/15/56/94/318155694.db2.gz NJHSLEMXTSELDB-AWEZNQCLSA-N 1 0 322.405 2.895 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000576939824 318160764 /nfs/dbraw/zinc/16/07/64/318160764.db2.gz MGUBGEGJJXWIAY-QRTARXTBSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000577362010 318187500 /nfs/dbraw/zinc/18/75/00/318187500.db2.gz KIQGGCMGSPAYMM-IJLUTSLNSA-N 1 0 310.373 2.907 20 5 DFBDRO CC(C)(CO)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000577737733 318213693 /nfs/dbraw/zinc/21/36/93/318213693.db2.gz RNVHOLUMKIKUGP-ZIAGYGMSSA-N 1 0 324.425 2.663 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844005 318288638 /nfs/dbraw/zinc/28/86/38/318288638.db2.gz GJPBUHLEQZICMV-WCQYABFASA-N 1 0 315.377 2.534 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCCCC3)CC2)c(F)c1 ZINC000578844985 318289008 /nfs/dbraw/zinc/28/90/08/318289008.db2.gz OFCSCJVLTGDOSC-UHFFFAOYSA-N 1 0 322.384 2.831 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCCOCC3)c2c1 ZINC000579101759 318307047 /nfs/dbraw/zinc/30/70/47/318307047.db2.gz AQKBBWFPQMHPJW-ZDUSSCGKSA-N 1 0 303.362 2.777 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579258398 318318596 /nfs/dbraw/zinc/31/85/96/318318596.db2.gz LTJLKEFNWBJOON-IAQYHMDHSA-N 1 0 300.362 2.536 20 5 DFBDRO COc1cc(CN2CCOC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000579469651 318332430 /nfs/dbraw/zinc/33/24/30/318332430.db2.gz CLLDVSGIXXCNQK-HNNXBMFYSA-N 1 0 306.362 2.604 20 5 DFBDRO CC(C)(C)C1CC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579703471 318348728 /nfs/dbraw/zinc/34/87/28/318348728.db2.gz FAGGUSLTOGXQMQ-JXQTWKCFSA-N 1 0 322.405 2.749 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000382435836 323298610 /nfs/dbraw/zinc/29/86/10/323298610.db2.gz VNZYYQSRMJWDOD-PSASIEDQSA-N 1 0 314.183 2.897 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000387563411 323326407 /nfs/dbraw/zinc/32/64/07/323326407.db2.gz YOZBZKVUSZUTQO-ZDUSSCGKSA-N 1 0 307.394 2.544 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000388947868 323333147 /nfs/dbraw/zinc/33/31/47/323333147.db2.gz HJWDVDUSXROELO-GFCCVEGCSA-N 1 0 302.378 2.707 20 5 DFBDRO CC[N@@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389250992 323334285 /nfs/dbraw/zinc/33/42/85/323334285.db2.gz GLDLJDPHFPPRRV-MRVPVSSYSA-N 1 0 304.272 2.515 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@H]2C2CC2)c1 ZINC000580404027 323380022 /nfs/dbraw/zinc/38/00/22/323380022.db2.gz GAENJCUARUAPPT-HNNXBMFYSA-N 1 0 308.403 2.801 20 5 DFBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000580534028 323398750 /nfs/dbraw/zinc/39/87/50/323398750.db2.gz KKQIMZWUDXVOAC-TZMCWYRMSA-N 1 0 312.373 2.640 20 5 DFBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000580534027 323398796 /nfs/dbraw/zinc/39/87/96/323398796.db2.gz KKQIMZWUDXVOAC-OCCSQVGLSA-N 1 0 312.373 2.640 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580929362 323452109 /nfs/dbraw/zinc/45/21/09/323452109.db2.gz YGWBTTRNLBZKOH-CYBMUJFWSA-N 1 0 307.394 2.546 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000581360424 323511135 /nfs/dbraw/zinc/51/11/35/323511135.db2.gz DHDSMTFHGHRIII-TUKIKUTGSA-N 1 0 312.373 2.707 20 5 DFBDRO CC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000582481750 323679754 /nfs/dbraw/zinc/67/97/54/323679754.db2.gz GDGHYOIKIOVAQY-ZDUSSCGKSA-N 1 0 308.378 2.504 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583612158 323887049 /nfs/dbraw/zinc/88/70/49/323887049.db2.gz HYOXBNHPYWKRBK-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO Cn1c(SCC[NH+](C)C)nc2cc3ccccc3cc2c1=O ZINC000344630765 335265198 /nfs/dbraw/zinc/26/51/98/335265198.db2.gz XHHLRAWQLNVGPW-UHFFFAOYSA-N 1 0 313.426 2.740 20 5 DFBDRO C[NH+](C)CCCCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000584505793 337350827 /nfs/dbraw/zinc/35/08/27/337350827.db2.gz SZHJPHPNLCTJJD-UHFFFAOYSA-N 1 0 319.405 2.818 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000374513464 500605927 /nfs/dbraw/zinc/60/59/27/500605927.db2.gz KPSMKLAJOCTKAO-HRCADAONSA-N 1 0 317.389 2.789 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1[NH+](C)C ZINC000302223714 533977171 /nfs/dbraw/zinc/97/71/71/533977171.db2.gz NOIIVJIECPKLMJ-JOYOIKCWSA-N 1 0 315.320 2.583 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190537 520698710 /nfs/dbraw/zinc/69/87/10/520698710.db2.gz OXIURBNITMWUHW-LSDHHAIUSA-N 1 0 320.389 2.852 20 5 DFBDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccccc2[N+](=O)[O-])c1 ZINC000155813134 521916902 /nfs/dbraw/zinc/91/69/02/521916902.db2.gz QHYUGIMBRUUTKZ-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO COC(=O)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338359621 521998705 /nfs/dbraw/zinc/99/87/05/521998705.db2.gz RDXZOSGISKLFKH-UHFFFAOYSA-N 1 0 318.329 2.649 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000156663967 522052698 /nfs/dbraw/zinc/05/26/98/522052698.db2.gz IEVZHEWNAXXUBF-JTQLQIEISA-N 1 0 314.183 2.546 20 5 DFBDRO [NH3+]CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000320253215 534620498 /nfs/dbraw/zinc/62/04/98/534620498.db2.gz WRBMOZFMBVLZEZ-GFCCVEGCSA-N 1 0 319.386 2.866 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408557 522863870 /nfs/dbraw/zinc/86/38/70/522863870.db2.gz OGDREKATFGBTOE-IAGOWNOFSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000158208916 525895323 /nfs/dbraw/zinc/89/53/23/525895323.db2.gz RMIBKTXLBDEYCP-HUUCEWRRSA-N 1 0 322.405 2.997 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000355319290 536437738 /nfs/dbraw/zinc/43/77/38/536437738.db2.gz TXIKVVDJEQNLAJ-VGVVRCBHSA-N 1 0 318.373 2.882 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292782275 527218019 /nfs/dbraw/zinc/21/80/19/527218019.db2.gz LVKMSIZDRITMOC-KRWDZBQOSA-N 1 0 317.389 2.720 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365167188 527374070 /nfs/dbraw/zinc/37/40/70/527374070.db2.gz CIQMIMOZIQTULD-CYBMUJFWSA-N 1 0 318.377 2.733 20 5 DFBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000365094989 527405721 /nfs/dbraw/zinc/40/57/21/527405721.db2.gz YDYDBYJZRHABAL-ZFWWWQNUSA-N 1 0 323.780 2.592 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655526 527458209 /nfs/dbraw/zinc/45/82/09/527458209.db2.gz AYBLSDSKJBWKRW-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO CC(C)C1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000292967628 527622860 /nfs/dbraw/zinc/62/28/60/527622860.db2.gz KBIAVWWXWOBUIB-UHFFFAOYSA-N 1 0 311.769 2.965 20 5 DFBDRO CC(C)[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293015822 527853364 /nfs/dbraw/zinc/85/33/64/527853364.db2.gz KVDVMTSUCBVUMF-MRXNPFEDSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[N@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000330801622 527932081 /nfs/dbraw/zinc/93/20/81/527932081.db2.gz AJCIEAGFDCQPGC-BETUJISGSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000320531293 528309902 /nfs/dbraw/zinc/30/99/02/528309902.db2.gz CCRDZQCXCHUWQL-OAHLLOKOSA-N 1 0 319.405 2.962 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000292650605 528352635 /nfs/dbraw/zinc/35/26/35/528352635.db2.gz LAISFRVSLFKDRW-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO CCCC[NH+]1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302066468 528463626 /nfs/dbraw/zinc/46/36/26/528463626.db2.gz UKQICSJORQPQRR-UHFFFAOYSA-N 1 0 307.394 2.764 20 5 DFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccnc(N)c1 ZINC000298178577 528941596 /nfs/dbraw/zinc/94/15/96/528941596.db2.gz RINOBTGHTVVJHK-UHFFFAOYSA-N 1 0 300.362 2.983 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000299426880 529013465 /nfs/dbraw/zinc/01/34/65/529013465.db2.gz TYDKZBVXHRFOIW-ZDUSSCGKSA-N 1 0 320.393 2.837 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000302119141 529014838 /nfs/dbraw/zinc/01/48/38/529014838.db2.gz XHXBDYHIXGJDIW-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO C[C@@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390912 214135813 /nfs/dbraw/zinc/13/58/13/214135813.db2.gz CWMKSHLFTCZRHY-HUUCEWRRSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000412990395 295666647 /nfs/dbraw/zinc/66/66/47/295666647.db2.gz PCOFQCGIUSDJPJ-UHFFFAOYSA-N 1 0 300.362 2.826 20 5 DFBDRO CCC[C@H]([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181283987 199275793 /nfs/dbraw/zinc/27/57/93/199275793.db2.gz PNPIIJURPSRHQL-HNNXBMFYSA-N 1 0 305.378 2.552 20 5 DFBDRO COC1(C[C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000278613729 214275499 /nfs/dbraw/zinc/27/54/99/214275499.db2.gz GTEJUVPLCNDEPC-NSHDSACASA-N 1 0 318.377 2.908 20 5 DFBDRO COC1(C[C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000278613726 214275540 /nfs/dbraw/zinc/27/55/40/214275540.db2.gz GTEJUVPLCNDEPC-LLVKDONJSA-N 1 0 318.377 2.908 20 5 DFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000078997761 185143294 /nfs/dbraw/zinc/14/32/94/185143294.db2.gz RJIOUWHHXOFYDI-OLZOCXBDSA-N 1 0 307.394 2.811 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)c1 ZINC000278699077 214336102 /nfs/dbraw/zinc/33/61/02/214336102.db2.gz IGNDOEXGJUELCZ-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278729938 214361625 /nfs/dbraw/zinc/36/16/25/214361625.db2.gz JBGUMXLKSCADKB-DUVNUKRYSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000317947045 231166611 /nfs/dbraw/zinc/16/66/11/231166611.db2.gz GIKKOBSHCZPKCQ-CHWSQXEVSA-N 1 0 305.378 2.565 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000317323795 231159890 /nfs/dbraw/zinc/15/98/90/231159890.db2.gz WGJIWNUQFOFIPV-MNOVXSKESA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000370160128 282171209 /nfs/dbraw/zinc/17/12/09/282171209.db2.gz FXCMMZGVFCHFKT-XHDPSFHLSA-N 1 0 312.373 2.901 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(NCCC[NH2+]Cc2cccnc2)c(F)c1 ZINC000323113650 231213023 /nfs/dbraw/zinc/21/30/23/231213023.db2.gz GLOBLIILDHVIKA-UHFFFAOYSA-N 1 0 322.315 2.860 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000591899373 398346505 /nfs/dbraw/zinc/34/65/05/398346505.db2.gz KURQFQPFWWGAIX-UONOGXRCSA-N 1 0 316.405 2.907 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000591899372 398346743 /nfs/dbraw/zinc/34/67/43/398346743.db2.gz KURQFQPFWWGAIX-KGLIPLIRSA-N 1 0 316.405 2.907 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214523 185219981 /nfs/dbraw/zinc/21/99/81/185219981.db2.gz PPRHRWLHXQRMHT-ZDUSSCGKSA-N 1 0 318.377 2.652 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596207073 398356715 /nfs/dbraw/zinc/35/67/15/398356715.db2.gz ZYJNZHPQAQKHLB-UHFFFAOYSA-N 1 0 312.801 2.955 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066124914 398358196 /nfs/dbraw/zinc/35/81/96/398358196.db2.gz CCZUPRXBGMDTDV-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO CC[NH+](CC)CCOCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596196730 398354560 /nfs/dbraw/zinc/35/45/60/398354560.db2.gz ZBJLMWSHVUARSC-UHFFFAOYSA-N 1 0 301.412 2.735 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000596237704 398364888 /nfs/dbraw/zinc/36/48/88/398364888.db2.gz GZBVKVOLCCROHB-UHFFFAOYSA-N 1 0 304.394 2.529 20 5 DFBDRO COc1cc(NC[C@@H](C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596238410 398364914 /nfs/dbraw/zinc/36/49/14/398364914.db2.gz RVYZDWXKGNLNIM-SECBINFHSA-N 1 0 301.774 2.866 20 5 DFBDRO O=c1[nH]ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000596226402 398362543 /nfs/dbraw/zinc/36/25/43/398362543.db2.gz TZBJBVXMSSPSKF-CYBMUJFWSA-N 1 0 320.393 2.904 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000596250591 398367638 /nfs/dbraw/zinc/36/76/38/398367638.db2.gz HAKYOMCXNRTTQU-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000596243902 398366077 /nfs/dbraw/zinc/36/60/77/398366077.db2.gz MFPBEVMHLBEVJI-RISCZKNCSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC[C@@H]3CCOC3)CC2)c1 ZINC000592060155 398378183 /nfs/dbraw/zinc/37/81/83/398378183.db2.gz AHZPTGIDGWUFTK-OAHLLOKOSA-N 1 0 319.405 2.534 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068785 185280522 /nfs/dbraw/zinc/28/05/22/185280522.db2.gz QSIAIYDMHRJMKV-FZMZJTMJSA-N 1 0 307.394 2.939 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068786 185280564 /nfs/dbraw/zinc/28/05/64/185280564.db2.gz QSIAIYDMHRJMKV-RISCZKNCSA-N 1 0 307.394 2.939 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596305917 398382035 /nfs/dbraw/zinc/38/20/35/398382035.db2.gz DHJHIAWWMFAWGP-GFCCVEGCSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068581 185280785 /nfs/dbraw/zinc/28/07/85/185280785.db2.gz QQGXNHXJDSFYQC-LSDHHAIUSA-N 1 0 305.378 2.645 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090180706 185285307 /nfs/dbraw/zinc/28/53/07/185285307.db2.gz PWWKXBPKMAMPMB-CZUORRHYSA-N 1 0 317.389 2.789 20 5 DFBDRO CC(C)(C)C[N@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171024 398383280 /nfs/dbraw/zinc/38/32/80/398383280.db2.gz UEJNOUUBNYHQKV-UHFFFAOYSA-N 1 0 321.377 2.967 20 5 DFBDRO COCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000083175526 398384566 /nfs/dbraw/zinc/38/45/66/398384566.db2.gz XWPUFNAJXJEZCA-UHFFFAOYSA-N 1 0 307.350 2.840 20 5 DFBDRO CCC[C@@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551301 185302611 /nfs/dbraw/zinc/30/26/11/185302611.db2.gz VDQBVDIQTPJIKY-INIZCTEOSA-N 1 0 307.394 2.659 20 5 DFBDRO CCOc1cc(C[NH2+]C2(CC(=O)OC)CCC2)ccc1[N+](=O)[O-] ZINC000459385810 299093348 /nfs/dbraw/zinc/09/33/48/299093348.db2.gz GFZAVNUKRJCIQI-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CCO)c1ccccc1F ZINC000592161973 398395060 /nfs/dbraw/zinc/39/50/60/398395060.db2.gz TXCSXMUHAKHDRD-OAHLLOKOSA-N 1 0 320.320 2.653 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(OC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000592158789 398394788 /nfs/dbraw/zinc/39/47/88/398394788.db2.gz SVTMZRFASFVQMB-HAQNSBGRSA-N 1 0 322.361 2.525 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592182008 398398022 /nfs/dbraw/zinc/39/80/22/398398022.db2.gz QOPPVDHGDLGRSH-UOVKNHIHSA-N 1 0 303.362 2.700 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)n2)cc1 ZINC000592182018 398398070 /nfs/dbraw/zinc/39/80/70/398398070.db2.gz QVRCKKACMBDYIF-IACUBPJLSA-N 1 0 314.345 2.923 20 5 DFBDRO C[C@H](C(=O)NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000584697756 398398275 /nfs/dbraw/zinc/39/82/75/398398275.db2.gz PWQWKCUYFXXLRQ-AWEZNQCLSA-N 1 0 319.405 2.691 20 5 DFBDRO CCc1nnc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)[nH]1 ZINC000294996337 529740774 /nfs/dbraw/zinc/74/07/74/529740774.db2.gz REIMDZTZRMJASH-UHFFFAOYSA-N 1 0 312.333 2.744 20 5 DFBDRO CC(C)C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000181555144 199316519 /nfs/dbraw/zinc/31/65/19/199316519.db2.gz PWXKTSDDIBBWQH-CQSZACIVSA-N 1 0 310.394 2.701 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286636818 219096035 /nfs/dbraw/zinc/09/60/35/219096035.db2.gz DCJWYQZPFQWNJN-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000596428650 398410050 /nfs/dbraw/zinc/41/00/50/398410050.db2.gz GBPLIOOUHDECFG-QMMMGPOBSA-N 1 0 317.187 2.504 20 5 DFBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000596433252 398410207 /nfs/dbraw/zinc/41/02/07/398410207.db2.gz SRJSEZYYPYRBEP-QMMMGPOBSA-N 1 0 306.288 2.761 20 5 DFBDRO C[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592294371 398411079 /nfs/dbraw/zinc/41/10/79/398411079.db2.gz SACYVNWOJUPDAO-UHFFFAOYSA-N 1 0 323.418 2.579 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596437518 398412286 /nfs/dbraw/zinc/41/22/86/398412286.db2.gz VOMWEMBUBPYBAI-NSHDSACASA-N 1 0 324.356 2.682 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000592331187 398412628 /nfs/dbraw/zinc/41/26/28/398412628.db2.gz XQGIMQGQJXRMPD-LLVKDONJSA-N 1 0 323.418 2.579 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596440885 398413086 /nfs/dbraw/zinc/41/30/86/398413086.db2.gz LXHTZMGMFICROC-CYBMUJFWSA-N 1 0 306.366 2.589 20 5 DFBDRO CN(CC1C[NH+](C)C1)c1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000596453735 398416429 /nfs/dbraw/zinc/41/64/29/398416429.db2.gz MUHGCUGNQGWEON-UHFFFAOYSA-N 1 0 303.284 2.611 20 5 DFBDRO CC(C)Cn1nccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000592363637 398416561 /nfs/dbraw/zinc/41/65/61/398416561.db2.gz ZNVCBBNNTHXNIX-UHFFFAOYSA-N 1 0 302.378 2.780 20 5 DFBDRO CC1([NH3+])CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000592331559 398413377 /nfs/dbraw/zinc/41/33/77/398413377.db2.gz WQAQSQFPPMBMLN-UHFFFAOYSA-N 1 0 319.386 2.763 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000067140033 398419800 /nfs/dbraw/zinc/41/98/00/398419800.db2.gz MDSQIDIQPGTFMP-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596478720 398424122 /nfs/dbraw/zinc/42/41/22/398424122.db2.gz JUVKHGOEFZAKRA-ZDUSSCGKSA-N 1 0 321.425 2.939 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000255367163 398424773 /nfs/dbraw/zinc/42/47/73/398424773.db2.gz SIZNCXGRBSWQQG-ZQUHVBMZSA-N 1 0 320.414 2.814 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067273264 398426739 /nfs/dbraw/zinc/42/67/39/398426739.db2.gz CVPLMUHZLNNPPK-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])o2)CCCCCC1 ZINC000024582536 398432647 /nfs/dbraw/zinc/43/26/47/398432647.db2.gz ZBSKIQUFQRVCIU-UHFFFAOYSA-N 1 0 309.366 2.572 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107866 398428845 /nfs/dbraw/zinc/42/88/45/398428845.db2.gz RVIPXSQWYKHDAW-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000024203752 398429400 /nfs/dbraw/zinc/42/94/00/398429400.db2.gz BVBQKBCSDXEINO-CYBMUJFWSA-N 1 0 309.414 2.641 20 5 DFBDRO Cc1cc(N2CC[C@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596525786 398438547 /nfs/dbraw/zinc/43/85/47/398438547.db2.gz AEIGYLCQBPLEHN-STQMWFEESA-N 1 0 313.357 2.924 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)C2CCCC2)n1 ZINC000585701989 398440355 /nfs/dbraw/zinc/44/03/55/398440355.db2.gz REHSSCGKHVZDGB-UHFFFAOYSA-N 1 0 306.410 2.917 20 5 DFBDRO CC[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000592487975 398432809 /nfs/dbraw/zinc/43/28/09/398432809.db2.gz DUOPLAXRFVJYBH-CJNGLKHVSA-N 1 0 321.421 2.941 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cnc2n1CCCC2 ZINC000585744106 398443768 /nfs/dbraw/zinc/44/37/68/398443768.db2.gz BKSOEMQEVDLGQP-ALCCZGGFSA-N 1 0 312.373 2.931 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@H]2CNC(=O)C2)C1 ZINC000585786333 398446721 /nfs/dbraw/zinc/44/67/21/398446721.db2.gz OUSWREKYITUXNO-VHDGCEQUSA-N 1 0 317.389 2.504 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H]([C@H]2CNC(=O)C2)C1 ZINC000585785746 398446846 /nfs/dbraw/zinc/44/68/46/398446846.db2.gz ANPAWBPVVFCZDX-HZSPNIEDSA-N 1 0 317.389 2.504 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC000026155903 398449998 /nfs/dbraw/zinc/44/99/98/398449998.db2.gz ICNMVWAYEGOUIG-UHFFFAOYSA-N 1 0 321.377 2.808 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000026159175 398451131 /nfs/dbraw/zinc/45/11/31/398451131.db2.gz QULUGAYSMXGESZ-GFCCVEGCSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000026219106 398451003 /nfs/dbraw/zinc/45/10/03/398451003.db2.gz HTRUIKIGHAPJDD-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[NH+]1CCC(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000318548416 530049497 /nfs/dbraw/zinc/04/94/97/530049497.db2.gz KHILKIALALBDFD-UHFFFAOYSA-N 1 0 318.299 2.762 20 5 DFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@H+](CC)C1 ZINC000596639634 398468625 /nfs/dbraw/zinc/46/86/25/398468625.db2.gz YHCXOXOEYRIOST-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587630382 398472147 /nfs/dbraw/zinc/47/21/47/398472147.db2.gz FDWJXUDJMPPRTP-JTQLQIEISA-N 1 0 321.406 2.566 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000090046823 398475450 /nfs/dbraw/zinc/47/54/50/398475450.db2.gz FNGMWCFUVGNKAY-CABCVRRESA-N 1 0 321.421 2.665 20 5 DFBDRO C[N@H+](Cc1ccccc1)C1CN(c2ccsc2[N+](=O)[O-])C1 ZINC000588072495 398479968 /nfs/dbraw/zinc/47/99/68/398479968.db2.gz QYGQPTNTHDPLEQ-UHFFFAOYSA-N 1 0 303.387 2.977 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000592773302 398482890 /nfs/dbraw/zinc/48/28/90/398482890.db2.gz UCUZSEMBCSRMQU-GJZGRUSLSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770835 398482988 /nfs/dbraw/zinc/48/29/88/398482988.db2.gz DZTFMRUEBNXCQC-HZPDHXFCSA-N 1 0 317.389 2.789 20 5 DFBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000029623215 398488718 /nfs/dbraw/zinc/48/87/18/398488718.db2.gz GOUDZUBAHQTTOA-NSHDSACASA-N 1 0 308.338 2.789 20 5 DFBDRO CC[NH+]1CCC(NC(=O)c2cc(SC)ccc2[N+](=O)[O-])CC1 ZINC000029607960 398488932 /nfs/dbraw/zinc/48/89/32/398488932.db2.gz APLUHNSUKVMKDG-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000331006197 232326007 /nfs/dbraw/zinc/32/60/07/232326007.db2.gz PWQDRIRAHSQCAI-LLVKDONJSA-N 1 0 305.378 2.962 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H]1SC ZINC000459530348 299126788 /nfs/dbraw/zinc/12/67/88/299126788.db2.gz RZRQYVKDAAQNAT-BPLDGKMQSA-N 1 0 310.419 2.902 20 5 DFBDRO COc1cccc([C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000304459576 398504389 /nfs/dbraw/zinc/50/43/89/398504389.db2.gz VSGZMHAQUTYFKK-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000305797126 398507498 /nfs/dbraw/zinc/50/74/98/398507498.db2.gz VWLYKTAVOYJUKC-CYBMUJFWSA-N 1 0 300.358 2.980 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000588815903 398509744 /nfs/dbraw/zinc/50/97/44/398509744.db2.gz FRYYXLXLTCSLDK-ZDUSSCGKSA-N 1 0 305.378 2.764 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000181976094 199370326 /nfs/dbraw/zinc/37/03/26/199370326.db2.gz JSBRSPUPWSPXGU-UHFFFAOYSA-N 1 0 300.358 2.898 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc(C2CC2)nc1 ZINC000459545619 299130852 /nfs/dbraw/zinc/13/08/52/299130852.db2.gz QGGWYJYOYWELNI-UHFFFAOYSA-N 1 0 312.373 2.937 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](CC(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000031582059 398518862 /nfs/dbraw/zinc/51/88/62/398518862.db2.gz IOUWPIIBXOMYCI-UHFFFAOYSA-N 1 0 323.393 2.908 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030045 398525613 /nfs/dbraw/zinc/52/56/13/398525613.db2.gz IRLGKLLUJSORGG-WBVHZDCISA-N 1 0 303.406 2.868 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331121301 232585621 /nfs/dbraw/zinc/58/56/21/232585621.db2.gz PPGIGWOWMXTGNL-IHRRRGAJSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[NH+]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)CC1 ZINC000589101984 398525675 /nfs/dbraw/zinc/52/56/75/398525675.db2.gz RCMDYMQTOOQUSN-UHFFFAOYSA-N 1 0 303.284 2.756 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000091453456 398529212 /nfs/dbraw/zinc/52/92/12/398529212.db2.gz GAVVISBVLSCNRX-CQSZACIVSA-N 1 0 305.378 2.668 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnn(CCC[NH+]3CCCC3)c2)c1 ZINC000277679391 213685938 /nfs/dbraw/zinc/68/59/38/213685938.db2.gz LKYZWTXWLZLPLR-UHFFFAOYSA-N 1 0 300.362 2.944 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000091457702 398530821 /nfs/dbraw/zinc/53/08/21/398530821.db2.gz KAOMMTCCCUGOGP-LBPRGKRZSA-N 1 0 323.393 2.756 20 5 DFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593049844 398530110 /nfs/dbraw/zinc/53/01/10/398530110.db2.gz SGSMMOLJCSEKNL-XPTSAGLGSA-N 1 0 302.321 2.760 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593053647 398532257 /nfs/dbraw/zinc/53/22/57/398532257.db2.gz JXOYVGOXYJTCMZ-OAHLLOKOSA-N 1 0 308.378 2.993 20 5 DFBDRO COc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1F ZINC000589191363 398534482 /nfs/dbraw/zinc/53/44/82/398534482.db2.gz LSBGSDSFTAAMAJ-UHFFFAOYSA-N 1 0 319.336 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465686 398542332 /nfs/dbraw/zinc/54/23/32/398542332.db2.gz MCRAMIIPMNXHLK-CZUORRHYSA-N 1 0 307.369 2.698 20 5 DFBDRO C[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593093871 398543797 /nfs/dbraw/zinc/54/37/97/398543797.db2.gz VWRSSZZCJIUMCU-CYBMUJFWSA-N 1 0 306.362 2.617 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000320474407 398547672 /nfs/dbraw/zinc/54/76/72/398547672.db2.gz AMNVHVFQBVUOKS-LLVKDONJSA-N 1 0 303.366 2.679 20 5 DFBDRO COc1ccc(OCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000321359168 398552359 /nfs/dbraw/zinc/55/23/59/398552359.db2.gz CQXFMVMFLROPTF-UHFFFAOYSA-N 1 0 316.357 2.815 20 5 DFBDRO Cc1c(NC(=O)N(C)CC[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000593136363 398556302 /nfs/dbraw/zinc/55/63/02/398556302.db2.gz RAQHSCPWKDGWFR-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO Cc1cccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000069296571 398562216 /nfs/dbraw/zinc/56/22/16/398562216.db2.gz PCAFXFQARXKWOM-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc3cc([N+](=O)[O-])ccc3n1)C2 ZINC000324338538 398562427 /nfs/dbraw/zinc/56/24/27/398562427.db2.gz RQOWYQMHXWEXNU-GUYCJALGSA-N 1 0 312.373 2.708 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286998767 219262567 /nfs/dbraw/zinc/26/25/67/219262567.db2.gz QVRJVTSJCAVJRT-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc(C)c(CNC(=O)Cc2ccc(F)cc2[N+](=O)[O-])cn1 ZINC000593170484 398563810 /nfs/dbraw/zinc/56/38/10/398563810.db2.gz QIKGDVYTJIRWNC-UHFFFAOYSA-N 1 0 317.320 2.605 20 5 DFBDRO Cc1cc(Nc2cnn(CC[NH+](C)C)c2)c(F)cc1[N+](=O)[O-] ZINC000589685923 398570466 /nfs/dbraw/zinc/57/04/66/398570466.db2.gz WBHJBYKWSCEPKS-UHFFFAOYSA-N 1 0 307.329 2.544 20 5 DFBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589689338 398570725 /nfs/dbraw/zinc/57/07/25/398570725.db2.gz IDICCPABXGGRCL-CYBMUJFWSA-N 1 0 323.368 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)cn1 ZINC000589741019 398573557 /nfs/dbraw/zinc/57/35/57/398573557.db2.gz FWNLIKVKOCNVDW-IAGOWNOFSA-N 1 0 324.384 2.668 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593232254 398576889 /nfs/dbraw/zinc/57/68/89/398576889.db2.gz LCDUXWXRGVUCNI-JJRVBVJISA-N 1 0 319.405 2.626 20 5 DFBDRO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000593235514 398577789 /nfs/dbraw/zinc/57/77/89/398577789.db2.gz VFLFEYRHEFPKAR-UHFFFAOYSA-N 1 0 301.293 2.737 20 5 DFBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000287063467 219293201 /nfs/dbraw/zinc/29/32/01/219293201.db2.gz JUHWWDQABWQQCI-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092650289 398589134 /nfs/dbraw/zinc/58/91/34/398589134.db2.gz UZWSYEFJNUIVCD-SNVBAGLBSA-N 1 0 315.320 2.584 20 5 DFBDRO CCOc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000092656554 398590940 /nfs/dbraw/zinc/59/09/40/398590940.db2.gz AGMNOFGUJDOYPE-CQSZACIVSA-N 1 0 319.405 2.916 20 5 DFBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2COCCO2)cc1[N+](=O)[O-] ZINC000597205855 398589902 /nfs/dbraw/zinc/58/99/02/398589902.db2.gz LLCDAJBPTZFHJR-AWEZNQCLSA-N 1 0 308.378 2.565 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052595 398592424 /nfs/dbraw/zinc/59/24/24/398592424.db2.gz FMJSEPOLXZWGHO-RHSMWYFYSA-N 1 0 303.406 2.854 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053950 398592458 /nfs/dbraw/zinc/59/24/58/398592458.db2.gz YAFFLNHPHZMJMC-XQDHMALISA-N 1 0 301.390 2.636 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597215196 398592678 /nfs/dbraw/zinc/59/26/78/398592678.db2.gz YLFDEZBSCHZEND-OAHLLOKOSA-N 1 0 302.374 2.723 20 5 DFBDRO C[C@@H](O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000597235258 398599859 /nfs/dbraw/zinc/59/98/59/398599859.db2.gz WIIHWIUMNHSJOS-SNVBAGLBSA-N 1 0 319.386 2.721 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000597235588 398600130 /nfs/dbraw/zinc/60/01/30/398600130.db2.gz GKMTYIBHPVXKJU-HOCLYGCPSA-N 1 0 306.362 2.806 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000043084795 398612029 /nfs/dbraw/zinc/61/20/29/398612029.db2.gz WNBIVZKEOPZBAK-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000072520386 398618132 /nfs/dbraw/zinc/61/81/32/398618132.db2.gz HPIOFWJRKLUOAI-CQSZACIVSA-N 1 0 316.361 2.713 20 5 DFBDRO COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])nc2)[NH+](C)C)c1 ZINC000072520393 398618468 /nfs/dbraw/zinc/61/84/68/398618468.db2.gz NLLQJIRHKFMICB-OAHLLOKOSA-N 1 0 316.361 2.713 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277275915 213413888 /nfs/dbraw/zinc/41/38/88/213413888.db2.gz MYGNTGLFNFHFJW-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000459705948 299168549 /nfs/dbraw/zinc/16/85/49/299168549.db2.gz IGOJHNSMAATHHI-HNNXBMFYSA-N 1 0 308.378 2.865 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462706 398635346 /nfs/dbraw/zinc/63/53/46/398635346.db2.gz ZJAVEJQVTIMQAJ-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463168 398635501 /nfs/dbraw/zinc/63/55/01/398635501.db2.gz OGHYCUHUWJKYLB-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590593905 398636605 /nfs/dbraw/zinc/63/66/05/398636605.db2.gz KJRGJLGGCLLILJ-GFCCVEGCSA-N 1 0 316.405 2.708 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000171269312 197908343 /nfs/dbraw/zinc/90/83/43/197908343.db2.gz FHBRXXSIFHDCCZ-MCIONIFRSA-N 1 0 319.405 2.515 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000177878317 186197553 /nfs/dbraw/zinc/19/75/53/186197553.db2.gz BTRAYRCSMWLPJK-TUAOUCFPSA-N 1 0 321.377 2.661 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000414659439 295812882 /nfs/dbraw/zinc/81/28/82/295812882.db2.gz NABYODIDNDJHTR-CYBMUJFWSA-N 1 0 308.382 2.740 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414665158 295813452 /nfs/dbraw/zinc/81/34/52/295813452.db2.gz URGCVCZZJGOSEV-AWEZNQCLSA-N 1 0 320.393 2.932 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000590652466 398645671 /nfs/dbraw/zinc/64/56/71/398645671.db2.gz CFZZUAZOAKIOSM-ZYHUDNBSSA-N 1 0 304.350 2.518 20 5 DFBDRO CC1([C@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183869703 186225722 /nfs/dbraw/zinc/22/57/22/186225722.db2.gz ZLBPZHXXHAYJDJ-LBPRGKRZSA-N 1 0 312.391 2.631 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072870467 398643733 /nfs/dbraw/zinc/64/37/33/398643733.db2.gz GWGBCIWKDNOZRE-CHWSQXEVSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414667498 295813693 /nfs/dbraw/zinc/81/36/93/295813693.db2.gz XXINYNQCJRUUQB-VXGBXAGGSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1c(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000237497775 186298107 /nfs/dbraw/zinc/29/81/07/186298107.db2.gz ZBQAIIXIMRXADC-LLVKDONJSA-N 1 0 305.378 2.868 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000044715108 398653254 /nfs/dbraw/zinc/65/32/54/398653254.db2.gz KLRAAYLQCNQLQS-MRXNPFEDSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCSCC2)c(Cl)c1 ZINC000459729172 299174710 /nfs/dbraw/zinc/17/47/10/299174710.db2.gz OFROCQKBOALZRD-UHFFFAOYSA-N 1 0 316.810 2.596 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)nc1-c1ccccc1 ZINC000302776648 186746287 /nfs/dbraw/zinc/74/62/87/186746287.db2.gz OYMDKGKCDFHHCN-UHFFFAOYSA-N 1 0 324.384 2.941 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459742598 299179704 /nfs/dbraw/zinc/17/97/04/299179704.db2.gz COFCRGDTANSOOR-HUUCEWRRSA-N 1 0 306.362 2.521 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459742600 299179785 /nfs/dbraw/zinc/17/97/85/299179785.db2.gz COFCRGDTANSOOR-LSDHHAIUSA-N 1 0 306.362 2.521 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000590752388 398665686 /nfs/dbraw/zinc/66/56/86/398665686.db2.gz RWPYRUFQXRESAS-NEPJUHHUSA-N 1 0 312.753 2.680 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1 ZINC000593653138 398665793 /nfs/dbraw/zinc/66/57/93/398665793.db2.gz UMOREGSKJDQABY-SFHVURJKSA-N 1 0 312.369 2.561 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756747 398667964 /nfs/dbraw/zinc/66/79/64/398667964.db2.gz IZARLPGLCSNGIK-DFKRKDTASA-N 1 0 319.361 2.885 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459767748 299186332 /nfs/dbraw/zinc/18/63/32/299186332.db2.gz KULMYQNOJYZHEA-AWEZNQCLSA-N 1 0 320.389 2.647 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459768782 299186776 /nfs/dbraw/zinc/18/67/76/299186776.db2.gz QSIFNDBUEVHXGO-HUUCEWRRSA-N 1 0 306.362 2.521 20 5 DFBDRO O=C(C[NH2+]C1(C2CCC2)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000459771271 299187760 /nfs/dbraw/zinc/18/77/60/299187760.db2.gz NEVQASLCUOONTK-UHFFFAOYSA-N 1 0 303.362 2.846 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459774425 299188533 /nfs/dbraw/zinc/18/85/33/299188533.db2.gz UBGARKRFNCOJQO-LSDHHAIUSA-N 1 0 306.362 2.651 20 5 DFBDRO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000172832592 198155531 /nfs/dbraw/zinc/15/55/31/198155531.db2.gz QQJXOWSBSLYWGQ-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO CC1(C)CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000072828344 191234380 /nfs/dbraw/zinc/23/43/80/191234380.db2.gz WDNLOTYPXGQACL-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO CC[C@]1(C)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072802704 191230621 /nfs/dbraw/zinc/23/06/21/191230621.db2.gz BUNPPEWMJXJICE-MRXNPFEDSA-N 1 0 305.378 2.706 20 5 DFBDRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072897153 191249477 /nfs/dbraw/zinc/24/94/77/191249477.db2.gz RJBBDBBDXLJOIC-STQMWFEESA-N 1 0 305.378 2.678 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1O ZINC000072926618 191252819 /nfs/dbraw/zinc/25/28/19/191252819.db2.gz SPYWZKSHGKBRKJ-GDBMZVCRSA-N 1 0 324.377 2.602 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593761163 398683080 /nfs/dbraw/zinc/68/30/80/398683080.db2.gz PAOZEGSJBIFWAO-UHFFFAOYSA-N 1 0 320.393 2.668 20 5 DFBDRO C[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccc([N+](=O)[O-])cc1)C2 ZINC000173262562 198203006 /nfs/dbraw/zinc/20/30/06/198203006.db2.gz FASJNZRLPPMQFI-LQDVMPOASA-N 1 0 318.377 2.732 20 5 DFBDRO COCCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173374893 198207097 /nfs/dbraw/zinc/20/70/97/198207097.db2.gz YNLCRFJKBSLELQ-CQSZACIVSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCSC1 ZINC000280159868 215420281 /nfs/dbraw/zinc/42/02/81/215420281.db2.gz SFWSOMSRFUKXJN-NEPJUHHUSA-N 1 0 323.418 2.655 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873150 198262823 /nfs/dbraw/zinc/26/28/23/198262823.db2.gz OVFQVIAZKLULAG-KRWDZBQOSA-N 1 0 317.433 2.945 20 5 DFBDRO Cc1nccn1CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178249 198301325 /nfs/dbraw/zinc/30/13/25/198301325.db2.gz BBDBHYLPTDJHGY-UHFFFAOYSA-N 1 0 317.349 2.702 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000174106474 198292279 /nfs/dbraw/zinc/29/22/79/198292279.db2.gz BAVOZXZSMRBDTJ-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000174187545 198303583 /nfs/dbraw/zinc/30/35/83/198303583.db2.gz GHUSSHULFDEABQ-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000046273552 398702781 /nfs/dbraw/zinc/70/27/81/398702781.db2.gz ZGXMQRQYGPXTOR-NSHDSACASA-N 1 0 307.394 2.572 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593917816 398703008 /nfs/dbraw/zinc/70/30/08/398703008.db2.gz YBXOTAMVTUNIAB-MWLCHTKSSA-N 1 0 311.407 2.554 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593915415 398703127 /nfs/dbraw/zinc/70/31/27/398703127.db2.gz XMQOFGNCUUULTQ-UHFFFAOYSA-N 1 0 305.378 2.577 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000415130491 295862524 /nfs/dbraw/zinc/86/25/24/295862524.db2.gz WYMOYXBMZYKEJF-GXTWGEPZSA-N 1 0 321.377 2.722 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000597861394 398706239 /nfs/dbraw/zinc/70/62/39/398706239.db2.gz TVWUECIPDYWZGF-NSHDSACASA-N 1 0 323.368 2.584 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000174476275 198339709 /nfs/dbraw/zinc/33/97/09/198339709.db2.gz LSYPWCOQWFLDLH-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174862079 198393793 /nfs/dbraw/zinc/39/37/93/198393793.db2.gz LVMINSNFCBIILO-MRXNPFEDSA-N 1 0 314.389 2.807 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415297917 295875983 /nfs/dbraw/zinc/87/59/83/295875983.db2.gz OUBKMWASLWNHBN-FUNVUKJBSA-N 1 0 318.377 2.616 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000597921502 398721427 /nfs/dbraw/zinc/72/14/27/398721427.db2.gz GGQZSVMLGOHLJG-AWEZNQCLSA-N 1 0 319.405 2.516 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000074073621 398722472 /nfs/dbraw/zinc/72/24/72/398722472.db2.gz NYBAGBROOJOVCT-CMDGGOBGSA-N 1 0 317.389 2.552 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000415428964 295882928 /nfs/dbraw/zinc/88/29/28/295882928.db2.gz HTESATGCEBOMPV-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415481777 295886443 /nfs/dbraw/zinc/88/64/43/295886443.db2.gz JBWCXXCGDUBDKK-ZDUSSCGKSA-N 1 0 320.393 2.865 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC(F)(F)CC1 ZINC000594041234 398728871 /nfs/dbraw/zinc/72/88/71/398728871.db2.gz APTDNZLSNUSTIA-SNVBAGLBSA-N 1 0 302.325 2.595 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415576095 295891630 /nfs/dbraw/zinc/89/16/30/295891630.db2.gz FVNIVIWTRIYLJL-OLZOCXBDSA-N 1 0 320.393 2.721 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000594051007 398732313 /nfs/dbraw/zinc/73/23/13/398732313.db2.gz JXCIGPPNXMAKAJ-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO [NH3+]C[C@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415632155 295895284 /nfs/dbraw/zinc/89/52/84/295895284.db2.gz OATIWNFYGIYWAO-AWEZNQCLSA-N 1 0 324.356 2.763 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597993373 398735245 /nfs/dbraw/zinc/73/52/45/398735245.db2.gz SJYZJZGBCKIFLC-UKRRQHHQSA-N 1 0 321.421 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+](CCO)CCc2ccccc2)cc1 ZINC000112698448 398735983 /nfs/dbraw/zinc/73/59/83/398735983.db2.gz ZAPTYDDDKQSQLU-UHFFFAOYSA-N 1 0 314.385 2.674 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047416140 398748930 /nfs/dbraw/zinc/74/89/30/398748930.db2.gz GDZJXNPCMBQARH-OKILXGFUSA-N 1 0 319.405 2.693 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000591441733 398761651 /nfs/dbraw/zinc/76/16/51/398761651.db2.gz GCDRLERRNRBXBB-KBPBESRZSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000080963717 192206030 /nfs/dbraw/zinc/20/60/30/192206030.db2.gz DJEQPBUHNGTTGL-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO CCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081519825 192278983 /nfs/dbraw/zinc/27/89/83/192278983.db2.gz XFPLKKQNMPLMFG-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000598221938 398774116 /nfs/dbraw/zinc/77/41/16/398774116.db2.gz ZCGZKSZRQLYLLG-ZDUSSCGKSA-N 1 0 317.389 2.732 20 5 DFBDRO CC(C)(CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000048178515 398775652 /nfs/dbraw/zinc/77/56/52/398775652.db2.gz NIXHHUBIBMFHSQ-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)cc1 ZINC000591648750 398778475 /nfs/dbraw/zinc/77/84/75/398778475.db2.gz YKWFHNINRPDXSL-XJKSGUPXSA-N 1 0 316.361 2.575 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598261713 398779318 /nfs/dbraw/zinc/77/93/18/398779318.db2.gz UGEYGLRFDCTXAQ-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000591728266 398782254 /nfs/dbraw/zinc/78/22/54/398782254.db2.gz FMEZCNMDTDELDS-SUMWQHHRSA-N 1 0 300.358 2.849 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000591757121 398784098 /nfs/dbraw/zinc/78/40/98/398784098.db2.gz FDUZNGLIEDXVIL-CQSZACIVSA-N 1 0 320.389 2.504 20 5 DFBDRO O=C(CC[NH2+]CCC1(F)CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000591767123 398786173 /nfs/dbraw/zinc/78/61/73/398786173.db2.gz BJMXZVYKCWKFRU-UHFFFAOYSA-N 1 0 309.341 2.795 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000237036594 202129889 /nfs/dbraw/zinc/12/98/89/202129889.db2.gz LSZCZOITCBHZQB-CABCVRRESA-N 1 0 317.389 2.552 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000237038117 202130348 /nfs/dbraw/zinc/13/03/48/202130348.db2.gz RETZOSVCGJEJMD-GUTXKFCHSA-N 1 0 305.378 2.680 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000594390065 398791270 /nfs/dbraw/zinc/79/12/70/398791270.db2.gz RVYKPGUMTFCPER-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(C)(CO)CC2)ccc1[N+](=O)[O-] ZINC000276868107 213144094 /nfs/dbraw/zinc/14/40/94/213144094.db2.gz HGEKXCGGHHEMCL-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CCc1ccc(C(=O)N(CC)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000594442292 398803054 /nfs/dbraw/zinc/80/30/54/398803054.db2.gz NYUPNZSVTCXQLZ-HNNXBMFYSA-N 1 0 319.405 2.761 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(-c3ccccc3)o2)c1 ZINC000151289047 283280068 /nfs/dbraw/zinc/28/00/68/283280068.db2.gz SHXGNUOOJCKHQA-UHFFFAOYSA-N 1 0 312.329 2.841 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CN1C1CC1 ZINC000594495862 398809490 /nfs/dbraw/zinc/80/94/90/398809490.db2.gz DEHFAVMHBJXGMJ-XHBSWPGZSA-N 1 0 301.390 2.797 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594508606 398812882 /nfs/dbraw/zinc/81/28/82/398812882.db2.gz DNLGJJXORAGKDH-BYNSBNAKSA-N 1 0 321.421 2.743 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594522487 398816082 /nfs/dbraw/zinc/81/60/82/398816082.db2.gz YQLIJVUAHVAAKT-LSDHHAIUSA-N 1 0 319.405 2.710 20 5 DFBDRO CCC[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000075703515 398818539 /nfs/dbraw/zinc/81/85/39/398818539.db2.gz FIJXJRZJQWGBAR-LBPRGKRZSA-N 1 0 305.378 2.604 20 5 DFBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000051650557 398824656 /nfs/dbraw/zinc/82/46/56/398824656.db2.gz ILKVAXWUPBAXPU-INIZCTEOSA-N 1 0 307.394 2.672 20 5 DFBDRO CCC(=O)c1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000594591755 398825705 /nfs/dbraw/zinc/82/57/05/398825705.db2.gz JHSUVDQUELWIDA-BJHJDKERSA-N 1 0 305.378 2.940 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594604443 398830017 /nfs/dbraw/zinc/83/00/17/398830017.db2.gz ZFCPAYGKPDXRDW-QWHCGFSZSA-N 1 0 307.398 2.548 20 5 DFBDRO C[C@H](O)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000594615357 398833762 /nfs/dbraw/zinc/83/37/62/398833762.db2.gz NIDAFHPQCFAQBN-VIFPVBQESA-N 1 0 316.304 2.541 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c2ccncc21 ZINC000052472572 398840952 /nfs/dbraw/zinc/84/09/52/398840952.db2.gz SZADUOQUYGQFBJ-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594693656 398843065 /nfs/dbraw/zinc/84/30/65/398843065.db2.gz REHNIMIRZCWFRB-CYBMUJFWSA-N 1 0 307.369 2.950 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000185175173 199819594 /nfs/dbraw/zinc/81/95/94/199819594.db2.gz UPDVSRWYEWPEBS-DBLGQFABSA-N 1 0 317.389 2.549 20 5 DFBDRO COc1cccc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000594696651 398843680 /nfs/dbraw/zinc/84/36/80/398843680.db2.gz JICQUBLZDNFIJE-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000076169797 398845561 /nfs/dbraw/zinc/84/55/61/398845561.db2.gz DIAALWXHCXZMHY-UHFFFAOYSA-N 1 0 313.357 2.951 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598647518 398847397 /nfs/dbraw/zinc/84/73/97/398847397.db2.gz NGAWINSLWHWSQK-CQSZACIVSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H](C)[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000467735183 299274402 /nfs/dbraw/zinc/27/44/02/299274402.db2.gz WRUZUYOFZGJDJO-LBPRGKRZSA-N 1 0 323.393 2.914 20 5 DFBDRO Cc1c(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000076331500 398851879 /nfs/dbraw/zinc/85/18/79/398851879.db2.gz XWHAFGNETJGNON-ZDUSSCGKSA-N 1 0 318.377 2.605 20 5 DFBDRO C[C@H]1CC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[N@@H+]1C ZINC000598697449 398857294 /nfs/dbraw/zinc/85/72/94/398857294.db2.gz ACLFCSSIDUQMTD-GWCFXTLKSA-N 1 0 317.345 2.554 20 5 DFBDRO C[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000076511969 398859492 /nfs/dbraw/zinc/85/94/92/398859492.db2.gz XYRGYJJQCOODGX-UHFFFAOYSA-N 1 0 320.393 2.981 20 5 DFBDRO Cc1ccc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000053152844 398864147 /nfs/dbraw/zinc/86/41/47/398864147.db2.gz CJFWEXRNUNWFGC-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000076691217 398865274 /nfs/dbraw/zinc/86/52/74/398865274.db2.gz HXLPYDMPEHSQNM-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134537269 398865735 /nfs/dbraw/zinc/86/57/35/398865735.db2.gz XJDAMCSCCSNDEI-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000180588014 199180734 /nfs/dbraw/zinc/18/07/34/199180734.db2.gz CUDHEJGERBDKLG-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO COCc1csc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000594925101 398873181 /nfs/dbraw/zinc/87/31/81/398873181.db2.gz QCZNVVQRBHJVFX-UHFFFAOYSA-N 1 0 322.386 2.971 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnn2c1CCC2 ZINC000594944261 398878675 /nfs/dbraw/zinc/87/86/75/398878675.db2.gz SGWALECBLFYYIO-UHFFFAOYSA-N 1 0 320.780 2.723 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])cc1OC ZINC000594985923 398887181 /nfs/dbraw/zinc/88/71/81/398887181.db2.gz PZEUQOQLZCDYAT-DGCLKSJQSA-N 1 0 324.377 2.659 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594983105 398886128 /nfs/dbraw/zinc/88/61/28/398886128.db2.gz KMTUZNAMTQEJBK-UHFFFAOYSA-N 1 0 320.389 2.634 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594984958 398886477 /nfs/dbraw/zinc/88/64/77/398886477.db2.gz XCHAAXBRKHBPBY-HWKANZROSA-N 1 0 302.374 2.749 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000594981351 398886597 /nfs/dbraw/zinc/88/65/97/398886597.db2.gz YAEBLKVXTJCMTK-DOTOQJQBSA-N 1 0 314.389 2.829 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[NH+]1CCCC1 ZINC000595005110 398890156 /nfs/dbraw/zinc/89/01/56/398890156.db2.gz XVNYTVCFQIQUNU-CYBMUJFWSA-N 1 0 307.394 2.740 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000598889408 398890978 /nfs/dbraw/zinc/89/09/78/398890978.db2.gz XFGFOAUIAQIZOO-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO CCc1ccc(C(=O)NCCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000174002061 283393121 /nfs/dbraw/zinc/39/31/21/283393121.db2.gz QXEALGCESXQLHZ-UHFFFAOYSA-N 1 0 307.394 2.619 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000598915753 398892762 /nfs/dbraw/zinc/89/27/62/398892762.db2.gz NWIXDZQCSYJBRM-CQSZACIVSA-N 1 0 324.356 2.763 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000595015864 398892785 /nfs/dbraw/zinc/89/27/85/398892785.db2.gz UFAONKFCMWBJKC-VXGBXAGGSA-N 1 0 304.350 2.539 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000595016033 398892858 /nfs/dbraw/zinc/89/28/58/398892858.db2.gz GJOPCVDYHNBTKJ-OCCSQVGLSA-N 1 0 319.405 2.738 20 5 DFBDRO CCOc1cc(NCCN2CCOCC2(C)C)ccc1[N+](=O)[O-] ZINC000174914184 283395348 /nfs/dbraw/zinc/39/53/48/283395348.db2.gz ALUWDAOGSKPDFK-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598913975 398892904 /nfs/dbraw/zinc/89/29/04/398892904.db2.gz SZFZQVIICYWZJK-LBPRGKRZSA-N 1 0 312.345 2.571 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cncn1C ZINC000598918049 398893002 /nfs/dbraw/zinc/89/30/02/398893002.db2.gz QRWOCUXJAXMEIL-JYRVWZFOSA-N 1 0 300.362 2.564 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595024982 398893787 /nfs/dbraw/zinc/89/37/87/398893787.db2.gz IQRHGFWLABZZBJ-AVGNSLFASA-N 1 0 307.394 2.737 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000141178761 398893872 /nfs/dbraw/zinc/89/38/72/398893872.db2.gz ZGLWFJOJNTWELS-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2n[nH]cc2C1 ZINC000598940095 398894755 /nfs/dbraw/zinc/89/47/55/398894755.db2.gz LYDGTYZCUNBFSQ-GFCCVEGCSA-N 1 0 300.362 2.697 20 5 DFBDRO CC[N@H+]1C[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595030735 398894872 /nfs/dbraw/zinc/89/48/72/398894872.db2.gz VDQWNEGAPKINIA-HUBLWGQQSA-N 1 0 307.394 2.594 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOC(F)(F)F ZINC000595039974 398896611 /nfs/dbraw/zinc/89/66/11/398896611.db2.gz JJGVPRBIXYDQII-QMMMGPOBSA-N 1 0 308.256 2.790 20 5 DFBDRO [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000261560077 283431971 /nfs/dbraw/zinc/43/19/71/283431971.db2.gz ZMWRTZJCTLYCIQ-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000595041963 398896784 /nfs/dbraw/zinc/89/67/84/398896784.db2.gz RNRCMEYXXYSSAC-LBPRGKRZSA-N 1 0 308.378 2.949 20 5 DFBDRO CC(C)[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000077357167 398900169 /nfs/dbraw/zinc/90/01/69/398900169.db2.gz BWCSIDOHRFEGLF-UHFFFAOYSA-N 1 0 317.389 2.747 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1 ZINC000595058990 398899512 /nfs/dbraw/zinc/89/95/12/398899512.db2.gz DXFCQMPAFLSAHS-RRQGHBQHSA-N 1 0 320.389 2.613 20 5 DFBDRO COC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000595071065 398901846 /nfs/dbraw/zinc/90/18/46/398901846.db2.gz NVVBXXZLBZYQNE-HZPDHXFCSA-N 1 0 320.389 2.613 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069925 398902121 /nfs/dbraw/zinc/90/21/21/398902121.db2.gz TWDSWSHDBPAURX-RYUDHWBXSA-N 1 0 308.378 2.805 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069920 398902198 /nfs/dbraw/zinc/90/21/98/398902198.db2.gz TWDSWSHDBPAURX-NEPJUHHUSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@](C)=O)CCC1 ZINC000280981861 216002700 /nfs/dbraw/zinc/00/27/00/216002700.db2.gz JBZUYRKAJDTTDW-DMZKTXOQSA-N 1 0 324.446 2.807 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000089728665 192851265 /nfs/dbraw/zinc/85/12/65/192851265.db2.gz QUPOTAMKHVDKLH-GXTWGEPZSA-N 1 0 305.378 2.563 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000470156198 299292635 /nfs/dbraw/zinc/29/26/35/299292635.db2.gz KVEAYSYEYFJNGM-VELOCXKFSA-N 1 0 318.373 2.882 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccsc3)CC2)n1 ZINC000186926678 200032506 /nfs/dbraw/zinc/03/25/06/200032506.db2.gz SOWDRHYHNIACBW-UHFFFAOYSA-N 1 0 306.391 2.732 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595088395 398903591 /nfs/dbraw/zinc/90/35/91/398903591.db2.gz BQIJOCHYPIHIIY-KCXAZCMYSA-N 1 0 304.390 2.809 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)CC1CC1)C1CC1 ZINC000595090792 398904121 /nfs/dbraw/zinc/90/41/21/398904121.db2.gz RBXQBODBTOPWDT-PBHICJAKSA-N 1 0 318.417 2.914 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCN2CC(F)F)cc1[N+](=O)[O-] ZINC000598989046 398904397 /nfs/dbraw/zinc/90/43/97/398904397.db2.gz YTPUYZVTYWOTDS-ZDUSSCGKSA-N 1 0 313.348 2.722 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095312 398904677 /nfs/dbraw/zinc/90/46/77/398904677.db2.gz IHYYQJDEVKUTKH-QWHCGFSZSA-N 1 0 307.394 2.738 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CC(CO)C1 ZINC000595102474 398906432 /nfs/dbraw/zinc/90/64/32/398906432.db2.gz INHBCMIXCZFJET-UNRBTCAZSA-N 1 0 304.390 2.667 20 5 DFBDRO COC(=O)[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470179529 299293507 /nfs/dbraw/zinc/29/35/07/299293507.db2.gz YLGYZPZEZFVJOX-UZGISAJGSA-N 1 0 318.373 2.883 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174036 299293227 /nfs/dbraw/zinc/29/32/27/299293227.db2.gz HMFCAQYDDAHWHN-LLBKUYECSA-N 1 0 306.362 2.739 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000470204607 299293237 /nfs/dbraw/zinc/29/32/37/299293237.db2.gz AMYSNKNCUXGEPC-OQXPVOPUSA-N 1 0 302.374 2.701 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599022637 398909147 /nfs/dbraw/zinc/90/91/47/398909147.db2.gz SVSSDZNDKYJHMR-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187553153 200127195 /nfs/dbraw/zinc/12/71/95/200127195.db2.gz VKHPFTCGKAHSFP-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595258145 398913474 /nfs/dbraw/zinc/91/34/74/398913474.db2.gz LMCUEQNKCRZFQA-IUODEOHRSA-N 1 0 305.378 2.574 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000044531775 283469289 /nfs/dbraw/zinc/46/92/89/283469289.db2.gz XNNPZFPCPDHBNM-VIFPVBQESA-N 1 0 303.284 2.789 20 5 DFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187680594 200144605 /nfs/dbraw/zinc/14/46/05/200144605.db2.gz BPYOPPGKWYDQII-BPUTZDHNSA-N 1 0 304.390 2.665 20 5 DFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599059387 398914390 /nfs/dbraw/zinc/91/43/90/398914390.db2.gz ALGWIFXISYVFKQ-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066617 398916317 /nfs/dbraw/zinc/91/63/17/398916317.db2.gz TVSHSCQMMGCRGV-BXUZGUMPSA-N 1 0 313.348 2.975 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595274670 398915397 /nfs/dbraw/zinc/91/53/97/398915397.db2.gz ZLAZNNHBUGHTJW-CYBMUJFWSA-N 1 0 322.409 2.503 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC=CC1 ZINC000599065079 398915740 /nfs/dbraw/zinc/91/57/40/398915740.db2.gz MUIYRHFVFHPPQO-LBPRGKRZSA-N 1 0 303.362 2.868 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]CC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599063792 398915845 /nfs/dbraw/zinc/91/58/45/398915845.db2.gz HTVKCVQJUWJSIN-MRXNPFEDSA-N 1 0 312.373 2.974 20 5 DFBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065373 398915938 /nfs/dbraw/zinc/91/59/38/398915938.db2.gz JEWMKUNOZHOSRI-UAGQMJEPSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1ccc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237576983 202290593 /nfs/dbraw/zinc/29/05/93/202290593.db2.gz MIDWOWUQVOLTDR-STQMWFEESA-N 1 0 305.378 2.868 20 5 DFBDRO CO[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000595290136 398917015 /nfs/dbraw/zinc/91/70/15/398917015.db2.gz HZBDDCSOSFDOOP-QGZVFWFLSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@](CO)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000077656265 398916363 /nfs/dbraw/zinc/91/63/63/398916363.db2.gz JURIEGMHBQRIFQ-KRWDZBQOSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599083037 398919001 /nfs/dbraw/zinc/91/90/01/398919001.db2.gz NIIQIOJXIDAGME-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO COc1ccc([C@@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595308002 398920230 /nfs/dbraw/zinc/92/02/30/398920230.db2.gz YRBHZQXAMSBPOW-CYBMUJFWSA-N 1 0 317.345 2.889 20 5 DFBDRO Cc1cccc(N2CCC(OCCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000188386490 200238181 /nfs/dbraw/zinc/23/81/81/200238181.db2.gz RIMOIBAZVVZYPD-UHFFFAOYSA-N 1 0 321.421 2.840 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599099618 398921527 /nfs/dbraw/zinc/92/15/27/398921527.db2.gz GSTXAMGSJIMCHM-BJHJDKERSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000237701068 202332470 /nfs/dbraw/zinc/33/24/70/202332470.db2.gz RPFALIQCXYATDI-XBFCOCLRSA-N 1 0 303.362 2.762 20 5 DFBDRO Cc1noc(CN2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000595323104 398922435 /nfs/dbraw/zinc/92/24/35/398922435.db2.gz QQXGHWWMPCGZNZ-UHFFFAOYSA-N 1 0 322.409 2.588 20 5 DFBDRO CCO[C@@H]1C[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344375 398924900 /nfs/dbraw/zinc/92/49/00/398924900.db2.gz CZDQPIGFZWPWKR-CHWSQXEVSA-N 1 0 309.366 2.671 20 5 DFBDRO CC(=O)c1ccc(NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599141027 398927725 /nfs/dbraw/zinc/92/77/25/398927725.db2.gz YHWIIVYSLKPXFU-CYBMUJFWSA-N 1 0 305.378 2.941 20 5 DFBDRO C[N@@H+]1CCCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000599140890 398927466 /nfs/dbraw/zinc/92/74/66/398927466.db2.gz JEJPDTVCXJVJNB-CYBMUJFWSA-N 1 0 314.389 2.709 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055402042 398929142 /nfs/dbraw/zinc/92/91/42/398929142.db2.gz CZDSNEGVPKHFMA-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C(F)F)CCCC2 ZINC000417313044 296009136 /nfs/dbraw/zinc/00/91/36/296009136.db2.gz OOPQGCXKOLSDMJ-OLZOCXBDSA-N 1 0 300.305 2.578 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CCSC1)CCCC2 ZINC000417314598 296009244 /nfs/dbraw/zinc/00/92/44/296009244.db2.gz RLWZTVPOKHENLR-HOTGVXAUSA-N 1 0 322.430 2.820 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000189313219 200380542 /nfs/dbraw/zinc/38/05/42/200380542.db2.gz KJBONUBWUZTGDZ-JKSUJKDBSA-N 1 0 314.389 2.792 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]C[C@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417343875 296012268 /nfs/dbraw/zinc/01/22/68/296012268.db2.gz VCXWOEUFVPUMIP-UKRRQHHQSA-N 1 0 312.373 2.807 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000078022577 398934664 /nfs/dbraw/zinc/93/46/64/398934664.db2.gz FPJHZBNLPXWFGG-KRWDZBQOSA-N 1 0 314.389 2.919 20 5 DFBDRO CC(=O)c1nc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000595420417 398934684 /nfs/dbraw/zinc/93/46/84/398934684.db2.gz DXEAETURHBSTQM-JTQLQIEISA-N 1 0 316.361 2.722 20 5 DFBDRO CC(C)CNC(=O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595414472 398934351 /nfs/dbraw/zinc/93/43/51/398934351.db2.gz KHUXWTUGXUBCNX-ZDUSSCGKSA-N 1 0 307.394 2.798 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(C)C ZINC000417360232 296013744 /nfs/dbraw/zinc/01/37/44/296013744.db2.gz JTAIJZGAZRNSHN-RRFJBIMHSA-N 1 0 324.425 2.926 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417379173 296014883 /nfs/dbraw/zinc/01/48/83/296014883.db2.gz GBLAVJRICNLUHJ-WCQYABFASA-N 1 0 313.348 2.893 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(CC)CC ZINC000595441266 398939234 /nfs/dbraw/zinc/93/92/34/398939234.db2.gz VQTKHBABNOXKMS-CHWSQXEVSA-N 1 0 311.382 2.965 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000417398640 296017044 /nfs/dbraw/zinc/01/70/44/296017044.db2.gz HPUCZGSFCKZJDI-MMTVNHQJSA-N 1 0 304.390 2.809 20 5 DFBDRO CCO[C@@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000599263504 398944260 /nfs/dbraw/zinc/94/42/60/398944260.db2.gz QBXJSUHBNCESBA-KRWDZBQOSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281269036 216199478 /nfs/dbraw/zinc/19/94/78/216199478.db2.gz AXVBDBSZDVCEPF-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000190897541 200601561 /nfs/dbraw/zinc/60/15/61/200601561.db2.gz VIVPJXUCVBWTKI-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485331 398948427 /nfs/dbraw/zinc/94/84/27/398948427.db2.gz WCSKBVCKUMUOOJ-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H](O)C(F)(F)F ZINC000595483709 398947597 /nfs/dbraw/zinc/94/75/97/398947597.db2.gz VDYUTVDYLKPYGK-RYUDHWBXSA-N 1 0 324.274 2.771 20 5 DFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595504409 398952109 /nfs/dbraw/zinc/95/21/09/398952109.db2.gz ITPHQCVBGKDHJZ-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO CC(C)CNC(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000595508591 398953170 /nfs/dbraw/zinc/95/31/70/398953170.db2.gz CCGTUVXKEHFLGZ-UHFFFAOYSA-N 1 0 321.421 2.972 20 5 DFBDRO Cc1c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508862 398953243 /nfs/dbraw/zinc/95/32/43/398953243.db2.gz YXSZCEOZANESKC-QGZVFWFLSA-N 1 0 303.406 2.821 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271967787 209346012 /nfs/dbraw/zinc/34/60/12/209346012.db2.gz VVCPQEIZMKFAKA-CYBMUJFWSA-N 1 0 318.402 2.590 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196132 398957231 /nfs/dbraw/zinc/95/72/31/398957231.db2.gz WGZUNBHTCDNQOD-RWMBFGLXSA-N 1 0 307.394 2.939 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078456148 398957436 /nfs/dbraw/zinc/95/74/36/398957436.db2.gz QRXRLAKNRIWOMX-GFCCVEGCSA-N 1 0 322.365 2.814 20 5 DFBDRO CCOc1cc(C[N@H+](C2CC2)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000595533115 398958074 /nfs/dbraw/zinc/95/80/74/398958074.db2.gz GQOJSOMOWYARMD-UHFFFAOYSA-N 1 0 320.389 2.873 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000604561716 398958476 /nfs/dbraw/zinc/95/84/76/398958476.db2.gz TZNLADILXCCKDQ-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599352547 398958726 /nfs/dbraw/zinc/95/87/26/398958726.db2.gz CSWZENFAHAXDHG-AWEZNQCLSA-N 1 0 307.394 2.798 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000271905068 209311533 /nfs/dbraw/zinc/31/15/33/209311533.db2.gz WKHTVUHRKWISOQ-XHSDSOJGSA-N 1 0 302.374 2.685 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000595536101 398959078 /nfs/dbraw/zinc/95/90/78/398959078.db2.gz VHJCBRXBQSOMCK-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]12 ZINC000320020264 283601170 /nfs/dbraw/zinc/60/11/70/283601170.db2.gz UPIOKNWCIKMROL-MKPLZMMCSA-N 1 0 315.295 2.787 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000613389245 398969001 /nfs/dbraw/zinc/96/90/01/398969001.db2.gz FTKGHFANIFTYNU-RDTXWAMCSA-N 1 0 314.385 2.892 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000600155617 398975653 /nfs/dbraw/zinc/97/56/53/398975653.db2.gz IBHOSMRXBPBEKA-XDTLVQLUSA-N 1 0 300.362 2.995 20 5 DFBDRO CCCCOCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564751 297308448 /nfs/dbraw/zinc/30/84/48/297308448.db2.gz ZAXRTQOGYOFRSE-KGLIPLIRSA-N 1 0 310.398 2.681 20 5 DFBDRO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281501968 216345251 /nfs/dbraw/zinc/34/52/51/216345251.db2.gz UKQGVBRIJFTSCI-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO CC[C@@H]([NH2+]CCC(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000194173153 201191155 /nfs/dbraw/zinc/19/11/55/201191155.db2.gz DNXPVOJLCQWODS-SWLSCSKDSA-N 1 0 307.394 2.940 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000194719810 201277571 /nfs/dbraw/zinc/27/75/71/201277571.db2.gz XRFWWXOBNCMVFJ-NEPJUHHUSA-N 1 0 314.345 2.668 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090801604 192936032 /nfs/dbraw/zinc/93/60/32/192936032.db2.gz APJNATHAOXKTQA-UKRRQHHQSA-N 1 0 312.373 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000271845539 209262913 /nfs/dbraw/zinc/26/29/13/209262913.db2.gz HOQRLZGNVZYKGA-OAGGEKHMSA-N 1 0 318.373 2.521 20 5 DFBDRO CC[C@H](NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417821756 296054842 /nfs/dbraw/zinc/05/48/42/296054842.db2.gz DZIKVORDWLYGQA-IPYPFGDCSA-N 1 0 320.393 2.615 20 5 DFBDRO CCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000474791586 299338732 /nfs/dbraw/zinc/33/87/32/299338732.db2.gz SJRGJFSJUKUDGE-UHFFFAOYSA-N 1 0 323.393 2.834 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000417859779 296058542 /nfs/dbraw/zinc/05/85/42/296058542.db2.gz WYYWRYCLTYGNAA-OLZOCXBDSA-N 1 0 322.409 2.781 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000417859781 296058615 /nfs/dbraw/zinc/05/86/15/296058615.db2.gz WYYWRYCLTYGNAA-STQMWFEESA-N 1 0 322.409 2.781 20 5 DFBDRO COC[C@]1(C)CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217277 399009615 /nfs/dbraw/zinc/00/96/15/399009615.db2.gz HAXWBNCUKNNVTL-DZXKJOIRSA-N 1 0 320.389 2.735 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595639854 399014749 /nfs/dbraw/zinc/01/47/49/399014749.db2.gz XWMPOZJGBKLNFX-LLVKDONJSA-N 1 0 323.393 2.956 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000275411828 212317543 /nfs/dbraw/zinc/31/75/43/212317543.db2.gz GDDYUELGADSBDI-UHFFFAOYSA-N 1 0 307.394 2.816 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H](n3ccnc3)C1)CCN2 ZINC000618152575 399021357 /nfs/dbraw/zinc/02/13/57/399021357.db2.gz VJRKRBLSSULSSV-GFCCVEGCSA-N 1 0 313.361 2.601 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599602898 399027010 /nfs/dbraw/zinc/02/70/10/399027010.db2.gz APDZIXKBADJSSC-HNNXBMFYSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599601478 399027047 /nfs/dbraw/zinc/02/70/47/399027047.db2.gz VHDQOWJFSFWDST-CYBMUJFWSA-N 1 0 318.377 2.618 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000595671441 399027796 /nfs/dbraw/zinc/02/77/96/399027796.db2.gz GLUFFCLRIKTOOP-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671380 399028025 /nfs/dbraw/zinc/02/80/25/399028025.db2.gz FEAJWQSVLNHMTI-YOEHRIQHSA-N 1 0 322.405 2.847 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000595670589 399028034 /nfs/dbraw/zinc/02/80/34/399028034.db2.gz FILGNGDCVINWQT-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599626041 399033803 /nfs/dbraw/zinc/03/38/03/399033803.db2.gz SEGIKRFHGWWWFM-XULOGPSESA-N 1 0 300.305 2.775 20 5 DFBDRO COc1cc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1F ZINC000599625736 399034068 /nfs/dbraw/zinc/03/40/68/399034068.db2.gz NPPUXTZNTNMLBL-OFYUCFFLSA-N 1 0 312.341 2.644 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000091672790 193089684 /nfs/dbraw/zinc/08/96/84/193089684.db2.gz WGLBSMALJVTKKS-AWEZNQCLSA-N 1 0 319.405 2.686 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595695502 399039298 /nfs/dbraw/zinc/03/92/98/399039298.db2.gz HZFDUKHFYLCKTR-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000092074842 193153746 /nfs/dbraw/zinc/15/37/46/193153746.db2.gz RYDDERPPTRZXBF-OLZOCXBDSA-N 1 0 320.393 2.816 20 5 DFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599669207 399053783 /nfs/dbraw/zinc/05/37/83/399053783.db2.gz CWIYLKSZNXKXLJ-VBQJREDUSA-N 1 0 320.389 2.599 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418420770 296094725 /nfs/dbraw/zinc/09/47/25/296094725.db2.gz AHZLBHUSSSACKE-ZDUSSCGKSA-N 1 0 322.409 2.503 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418423675 296094991 /nfs/dbraw/zinc/09/49/91/296094991.db2.gz FMYUZQQDEMXKHU-UHFFFAOYSA-N 1 0 322.409 2.647 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278614879 283930170 /nfs/dbraw/zinc/93/01/70/283930170.db2.gz BTWTZRXHTMYVNH-KCXAZCMYSA-N 1 0 308.378 2.566 20 5 DFBDRO C/C=C\C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690672 399065720 /nfs/dbraw/zinc/06/57/20/399065720.db2.gz OUWIKRSYZKZCTC-XQJDBVBESA-N 1 0 317.389 2.872 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000479564091 299380136 /nfs/dbraw/zinc/38/01/36/299380136.db2.gz OMONQVTUQQRCKO-NSHDSACASA-N 1 0 323.368 2.536 20 5 DFBDRO CC[C@@H]1CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292827726 284010067 /nfs/dbraw/zinc/01/00/67/284010067.db2.gz QUDREQXIXLFRFT-CQSZACIVSA-N 1 0 300.362 2.980 20 5 DFBDRO Cc1nn(C)c(NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000079927355 399098187 /nfs/dbraw/zinc/09/81/87/399098187.db2.gz ATAVMIDRHRBTKX-BETUJISGSA-N 1 0 323.441 2.807 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000293222683 223451553 /nfs/dbraw/zinc/45/15/53/223451553.db2.gz YHUJDGKOASSYCF-ZDUSSCGKSA-N 1 0 305.378 2.526 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419309904 296133708 /nfs/dbraw/zinc/13/37/08/296133708.db2.gz HGKSLABPVIAPLS-MJBXVCDLSA-N 1 0 322.405 2.749 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000419319882 296134405 /nfs/dbraw/zinc/13/44/05/296134405.db2.gz PDTPVANDFGJBGY-GJZGRUSLSA-N 1 0 319.405 2.972 20 5 DFBDRO CC(C)CC1([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000595832149 399104387 /nfs/dbraw/zinc/10/43/87/399104387.db2.gz CPMWYUOEKKGNFG-CQSZACIVSA-N 1 0 308.378 2.503 20 5 DFBDRO CSc1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261868124 203138887 /nfs/dbraw/zinc/13/88/87/203138887.db2.gz SBVTZBACZWXMNO-JQWIXIFHSA-N 1 0 323.418 2.516 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H]1C(C)(C)C ZINC000419339343 296136029 /nfs/dbraw/zinc/13/60/29/296136029.db2.gz UQCWQSNJKRXCCO-CABCVRRESA-N 1 0 321.421 2.903 20 5 DFBDRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000419369998 296137242 /nfs/dbraw/zinc/13/72/42/296137242.db2.gz ISJWAULJDYSJHG-UPJWGTAASA-N 1 0 305.378 2.534 20 5 DFBDRO COCCCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419380312 296138173 /nfs/dbraw/zinc/13/81/73/296138173.db2.gz GKGRJEPDLHOMST-UHFFFAOYSA-N 1 0 323.393 2.590 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262278944 203248090 /nfs/dbraw/zinc/24/80/90/203248090.db2.gz KHCOHSKEOYHESU-UBHSHLNASA-N 1 0 305.378 2.598 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2ccc(F)cc2F)cc1 ZINC000595866173 399117777 /nfs/dbraw/zinc/11/77/77/399117777.db2.gz FZNPZDAVAKPFLK-MRXNPFEDSA-N 1 0 322.311 2.739 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712775 399120386 /nfs/dbraw/zinc/12/03/86/399120386.db2.gz YPQCHKKIJYEFAP-DOTOQJQBSA-N 1 0 315.417 2.790 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708258 399120438 /nfs/dbraw/zinc/12/04/38/399120438.db2.gz DUZLIRXBLCFAFD-MBNYWOFBSA-N 1 0 307.394 2.785 20 5 DFBDRO COCCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000093339372 193234036 /nfs/dbraw/zinc/23/40/36/193234036.db2.gz JNMCVRUMFQTZIL-GQCTYLIASA-N 1 0 320.389 2.735 20 5 DFBDRO Cn1cc(C[N@H+](C)C2CCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093475669 193256663 /nfs/dbraw/zinc/25/66/63/193256663.db2.gz CGFZFCPEBWLEEJ-UHFFFAOYSA-N 1 0 300.362 2.980 20 5 DFBDRO COC(=O)CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000093383904 193241990 /nfs/dbraw/zinc/24/19/90/193241990.db2.gz XMUDDZONXVSWTD-SOFGYWHQSA-N 1 0 306.362 2.882 20 5 DFBDRO Cc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000093597356 193272763 /nfs/dbraw/zinc/27/27/63/193272763.db2.gz YCZGPUBAOWKXPT-MRXNPFEDSA-N 1 0 303.406 2.821 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c1 ZINC000094001784 193337917 /nfs/dbraw/zinc/33/79/17/193337917.db2.gz PGARLAJFZZPETC-GHMZBOCLSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@@H+](C)C(C)C ZINC000094135950 193346085 /nfs/dbraw/zinc/34/60/85/193346085.db2.gz HZULLBNTXJFGSO-UHFFFAOYSA-N 1 0 307.394 2.590 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094371915 193366489 /nfs/dbraw/zinc/36/64/89/193366489.db2.gz PMJSYWQKZJSRJI-ZFWWWQNUSA-N 1 0 308.403 2.739 20 5 DFBDRO [NH3+]C[C@H]1CCc2ccccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000595902623 399129368 /nfs/dbraw/zinc/12/93/68/399129368.db2.gz BNOJBVNQPKBMJA-CYBMUJFWSA-N 1 0 303.387 2.936 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000595909516 399131973 /nfs/dbraw/zinc/13/19/73/399131973.db2.gz POTCBVXIRGHGHR-NSHDSACASA-N 1 0 321.377 2.520 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000600740669 399132551 /nfs/dbraw/zinc/13/25/51/399132551.db2.gz ZXEPBMMEJYSFRU-ONGXEEELSA-N 1 0 323.340 2.758 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000600750254 399134969 /nfs/dbraw/zinc/13/49/69/399134969.db2.gz VSDDEPPITRVNHN-JHJVBQTASA-N 1 0 303.362 2.702 20 5 DFBDRO O=[N+]([O-])c1cnccc1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000340923270 284218495 /nfs/dbraw/zinc/21/84/95/284218495.db2.gz MYSYUYYPNRMSST-AWEZNQCLSA-N 1 0 304.394 2.621 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000600759375 399137581 /nfs/dbraw/zinc/13/75/81/399137581.db2.gz CYAGRNIOUNRCSL-GOEBONIOSA-N 1 0 320.389 2.671 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420186644 296161291 /nfs/dbraw/zinc/16/12/91/296161291.db2.gz MFYRYPVRLBLWBD-NWDGAFQWSA-N 1 0 300.362 2.707 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420189834 296161392 /nfs/dbraw/zinc/16/13/92/296161392.db2.gz FBRHVCDAXJPFPF-SMDDNHRTSA-N 1 0 321.377 2.701 20 5 DFBDRO C[NH+](C)CCOc1cnccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000341039251 284232838 /nfs/dbraw/zinc/23/28/38/284232838.db2.gz MWPPFFDBWRUIRB-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000600770891 399141314 /nfs/dbraw/zinc/14/13/14/399141314.db2.gz DJMACDKNENJPLW-IINYFYTJSA-N 1 0 318.402 2.558 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH2+]CC2CC2)CC1 ZINC000420209001 296162433 /nfs/dbraw/zinc/16/24/33/296162433.db2.gz YPHAEVLCUULHBK-UHFFFAOYSA-N 1 0 317.389 2.766 20 5 DFBDRO Cc1cc(N[C@@H]2CCC[C@@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420197655 296161729 /nfs/dbraw/zinc/16/17/29/296161729.db2.gz MHVOSCXHSBLDMH-DGCLKSJQSA-N 1 0 300.362 2.991 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000420201533 296162059 /nfs/dbraw/zinc/16/20/59/296162059.db2.gz HQOWCQYOGAAALY-CQSZACIVSA-N 1 0 302.378 2.953 20 5 DFBDRO CC[NH2+]CC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420199322 296162102 /nfs/dbraw/zinc/16/21/02/296162102.db2.gz CZQAYJUFOSQKHQ-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO CCOC(=O)c1cc(NCC[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420219788 296163035 /nfs/dbraw/zinc/16/30/35/296163035.db2.gz YYNRUQIWMNNKSF-GFCCVEGCSA-N 1 0 321.377 2.573 20 5 DFBDRO Cc1cc(N2C[C@H](C[NH3+])C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420220293 296163086 /nfs/dbraw/zinc/16/30/86/296163086.db2.gz RZXGCQFCBBUSMN-NEPJUHHUSA-N 1 0 300.362 2.625 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)[C@H](C)C[NH2+]1 ZINC000420231351 296164157 /nfs/dbraw/zinc/16/41/57/296164157.db2.gz JSVYCJBAKATSGI-GHMZBOCLSA-N 1 0 318.402 2.905 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000600782120 399144229 /nfs/dbraw/zinc/14/42/29/399144229.db2.gz KBMNCNFZLBOTTF-AWEZNQCLSA-N 1 0 312.369 2.906 20 5 DFBDRO CCOc1cc(N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000420226189 296163687 /nfs/dbraw/zinc/16/36/87/296163687.db2.gz LJJUKIPQMMFGQI-UHFFFAOYSA-N 1 0 305.378 2.573 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420252793 296165807 /nfs/dbraw/zinc/16/58/07/296165807.db2.gz ONOVCDIMHPXDNY-PSASIEDQSA-N 1 0 303.284 2.848 20 5 DFBDRO CCOc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1O ZINC000061116166 399150233 /nfs/dbraw/zinc/15/02/33/399150233.db2.gz KOYTVQLGRUSMRH-UHFFFAOYSA-N 1 0 302.330 2.989 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000420271378 296167904 /nfs/dbraw/zinc/16/79/04/296167904.db2.gz COKGDQPXXSXIKJ-BDAKNGLRSA-N 1 0 307.379 2.529 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000007976019 181513649 /nfs/dbraw/zinc/51/36/49/181513649.db2.gz ZNXMKGOFYUYQAV-OAHLLOKOSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420269777 296167590 /nfs/dbraw/zinc/16/75/90/296167590.db2.gz BIGWYKUUFWVCHM-CHWSQXEVSA-N 1 0 314.389 2.803 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@@H]1C[NH2+]CCCO1 ZINC000420279387 296168628 /nfs/dbraw/zinc/16/86/28/296168628.db2.gz SSKHQHDSDGMJGC-VIFPVBQESA-N 1 0 320.176 2.692 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000341246427 284259053 /nfs/dbraw/zinc/25/90/53/284259053.db2.gz JBDJDDGRHJQWKQ-SCRDCRAPSA-N 1 0 306.362 2.581 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420282007 296168903 /nfs/dbraw/zinc/16/89/03/296168903.db2.gz WIDLAKAQFCBBPN-IUCAKERBSA-N 1 0 301.293 2.736 20 5 DFBDRO COC(=O)c1cc(NCCC[C@H]2CCC[NH2+]2)cc(C)c1[N+](=O)[O-] ZINC000420276898 296168463 /nfs/dbraw/zinc/16/84/63/296168463.db2.gz POJGOLCWVPTFJZ-GFCCVEGCSA-N 1 0 321.377 2.634 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000264872849 204225646 /nfs/dbraw/zinc/22/56/46/204225646.db2.gz BBAARQFNKCESEA-LBPRGKRZSA-N 1 0 311.407 2.651 20 5 DFBDRO CCOc1cccc(NC[C@@H]2CCNCC2(F)F)c1[N+](=O)[O-] ZINC000420290593 296169872 /nfs/dbraw/zinc/16/98/72/296169872.db2.gz UQNWQXLRUCQSBB-JTQLQIEISA-N 1 0 315.320 2.650 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CC2)CC1 ZINC000080542993 399156654 /nfs/dbraw/zinc/15/66/54/399156654.db2.gz MLEFXRHAHWIOSK-UHFFFAOYSA-N 1 0 305.378 2.780 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCNCC2(F)F)c2ncccc12 ZINC000420291987 296170243 /nfs/dbraw/zinc/17/02/43/296170243.db2.gz WCLZDMYQYAYGDO-SNVBAGLBSA-N 1 0 322.315 2.800 20 5 DFBDRO Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618565233 399160360 /nfs/dbraw/zinc/16/03/60/399160360.db2.gz MAJVYRYWGCVRHF-CHWSQXEVSA-N 1 0 321.406 2.830 20 5 DFBDRO Cc1cc(NCC[N@@H+]2CCc3ccccc3C2)ncc1[N+](=O)[O-] ZINC000080597841 399161569 /nfs/dbraw/zinc/16/15/69/399161569.db2.gz VOBAHAXHYRKOKK-UHFFFAOYSA-N 1 0 312.373 2.768 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@@H]1CCOC1)CCC2 ZINC000618568501 399162893 /nfs/dbraw/zinc/16/28/93/399162893.db2.gz XRTKTMSFAOQYHD-DYVFJYSZSA-N 1 0 320.389 2.615 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265086554 204386957 /nfs/dbraw/zinc/38/69/57/204386957.db2.gz SQYMWYWVYIJZGT-DOMZBBRYSA-N 1 0 318.373 2.931 20 5 DFBDRO CC(C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000596078847 399165898 /nfs/dbraw/zinc/16/58/98/399165898.db2.gz ZLQOZXPUGWMFOF-AWEZNQCLSA-N 1 0 322.409 2.864 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC000080680772 399170087 /nfs/dbraw/zinc/17/00/87/399170087.db2.gz GGDUBGMHYIOPRK-CQSZACIVSA-N 1 0 307.394 2.532 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCOCCF ZINC000596095511 399172112 /nfs/dbraw/zinc/17/21/12/399172112.db2.gz QDXZULDPEIOKTB-HIFRSBDPSA-N 1 0 310.369 2.882 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNCC34CC(C3)C[NH2+]4)o2)c1 ZINC000596101398 399174063 /nfs/dbraw/zinc/17/40/63/399174063.db2.gz GSEXWZMKMVDZKD-UHFFFAOYSA-N 1 0 313.357 2.696 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000342029505 284311083 /nfs/dbraw/zinc/31/10/83/284311083.db2.gz FTHIDVKYVXXRCK-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342061758 284318863 /nfs/dbraw/zinc/31/88/63/284318863.db2.gz NEKAHOMOXHSCJD-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000342067165 284321242 /nfs/dbraw/zinc/32/12/42/284321242.db2.gz OXJRNSLNZJQIEF-AWEZNQCLSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600951348 399185607 /nfs/dbraw/zinc/18/56/07/399185607.db2.gz DVHQHILCKVQPSH-GHMZBOCLSA-N 1 0 317.311 2.867 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600952927 399185837 /nfs/dbraw/zinc/18/58/37/399185837.db2.gz UOXZYRDGXAGCIL-BDAKNGLRSA-N 1 0 321.274 2.697 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@@H]1C[NH3+] ZINC000600962193 399188626 /nfs/dbraw/zinc/18/86/26/399188626.db2.gz WHDAEDLBKAAGIU-JSGCOSHPSA-N 1 0 312.373 2.688 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288326342 220085384 /nfs/dbraw/zinc/08/53/84/220085384.db2.gz JEZOQIWJUYWMHV-UWVGGRQHSA-N 1 0 321.406 2.884 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000266194906 205172528 /nfs/dbraw/zinc/17/25/28/205172528.db2.gz ZVCZNXQXTWOVDX-DAXOMENPSA-N 1 0 320.389 2.897 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000080989019 399200850 /nfs/dbraw/zinc/20/08/50/399200850.db2.gz XOUBKWSJWCGJHJ-CQSZACIVSA-N 1 0 300.362 2.740 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000080989018 399201353 /nfs/dbraw/zinc/20/13/53/399201353.db2.gz XOUBKWSJWCGJHJ-AWEZNQCLSA-N 1 0 300.362 2.740 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC2([NH3+])CCC2)cc1[N+](=O)[O-] ZINC000342586963 284372029 /nfs/dbraw/zinc/37/20/29/284372029.db2.gz KYWYZSVRTIEGFJ-UHFFFAOYSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)[NH+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000018178679 182096919 /nfs/dbraw/zinc/09/69/19/182096919.db2.gz ACGKXUQXPWDNAP-UHFFFAOYSA-N 1 0 308.382 2.835 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])c(C(C)=O)c1 ZINC000288494093 220179283 /nfs/dbraw/zinc/17/92/83/220179283.db2.gz RRPHVWHXPDDJDB-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCCSC2)c([N+](=O)[O-])cc1O ZINC000288505034 220184895 /nfs/dbraw/zinc/18/48/95/220184895.db2.gz SHKQDQJTWHYKGJ-JTQLQIEISA-N 1 0 312.391 2.542 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104799 399228144 /nfs/dbraw/zinc/22/81/44/399228144.db2.gz HELIQTWLBLNNLO-QWHCGFSZSA-N 1 0 312.373 2.604 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413801 206049429 /nfs/dbraw/zinc/04/94/29/206049429.db2.gz QZKOBSGYLHUPKF-QWRGUYRKSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132114 399236375 /nfs/dbraw/zinc/23/63/75/399236375.db2.gz AMGMPZVSXYGTMX-SMDDNHRTSA-N 1 0 320.368 2.582 20 5 DFBDRO CN(C[C@H]1CCC[C@H]1O)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134833 399237088 /nfs/dbraw/zinc/23/70/88/399237088.db2.gz IMUJXELWACQXBN-BDJLRTHQSA-N 1 0 301.346 2.740 20 5 DFBDRO CC1(C)C[C@@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601135250 399237213 /nfs/dbraw/zinc/23/72/13/399237213.db2.gz SJBVBPRBURHSNU-NSHDSACASA-N 1 0 301.346 2.934 20 5 DFBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601152492 399242449 /nfs/dbraw/zinc/24/24/49/399242449.db2.gz DYNIHQSVMUONAU-OAHLLOKOSA-N 1 0 324.377 2.879 20 5 DFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000601151170 399242497 /nfs/dbraw/zinc/24/24/97/399242497.db2.gz QRRNYVNVNYMDML-GGJFTPGKSA-N 1 0 304.268 2.509 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601170956 399247090 /nfs/dbraw/zinc/24/70/90/399247090.db2.gz XGMLZDDLVRMNDI-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184146 399249918 /nfs/dbraw/zinc/24/99/18/399249918.db2.gz IDFJYISTHFTISI-OLZOCXBDSA-N 1 0 312.373 2.531 20 5 DFBDRO CCOc1cc(N2CCC[N@H+](C)C[C@H]2CC)ccc1[N+](=O)[O-] ZINC000601189229 399251220 /nfs/dbraw/zinc/25/12/20/399251220.db2.gz PDIBRIXWKZGAET-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421008615 296223888 /nfs/dbraw/zinc/22/38/88/296223888.db2.gz DKOVGUDZTHYCPS-AWEZNQCLSA-N 1 0 322.405 2.978 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421004015 296223737 /nfs/dbraw/zinc/22/37/37/296223737.db2.gz NSNHZZGYGILWJX-MRXNPFEDSA-N 1 0 321.421 2.908 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000601229761 399259931 /nfs/dbraw/zinc/25/99/31/399259931.db2.gz ZTRJYVKFMRCPGV-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000601281975 399269686 /nfs/dbraw/zinc/26/96/86/399269686.db2.gz YCBXXVSVAHSYMA-OAGGEKHMSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601292449 399271083 /nfs/dbraw/zinc/27/10/83/399271083.db2.gz XFQQKSNOGNZFTE-UPJWGTAASA-N 1 0 310.419 2.826 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(F)F ZINC000601299336 399272584 /nfs/dbraw/zinc/27/25/84/399272584.db2.gz PBWJTIXGYSRGRI-GXFFZTMASA-N 1 0 302.321 2.522 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000601304148 399274265 /nfs/dbraw/zinc/27/42/65/399274265.db2.gz KUENEFIPKNAOFN-UTXMOHQDSA-N 1 0 304.390 2.809 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000421479029 296258754 /nfs/dbraw/zinc/25/87/54/296258754.db2.gz FUMRMAVESWYXDJ-KGLIPLIRSA-N 1 0 319.405 2.814 20 5 DFBDRO CS[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000614977740 399287496 /nfs/dbraw/zinc/28/74/96/399287496.db2.gz HDGNKKDKTIIGQE-NWDGAFQWSA-N 1 0 313.448 2.672 20 5 DFBDRO CS[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000614977742 399287514 /nfs/dbraw/zinc/28/75/14/399287514.db2.gz HDGNKKDKTIIGQE-RYUDHWBXSA-N 1 0 313.448 2.672 20 5 DFBDRO O=[N+]([O-])c1c(NCC[NH+]2CCCCCC2)nc2sccn21 ZINC000040433126 183066070 /nfs/dbraw/zinc/06/60/70/183066070.db2.gz JFWAMRYHWPRZLK-UHFFFAOYSA-N 1 0 309.395 2.592 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601564479 399301491 /nfs/dbraw/zinc/30/14/91/399301491.db2.gz AWQMZEABVRTPAM-LBPRGKRZSA-N 1 0 320.393 2.803 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601590347 399304991 /nfs/dbraw/zinc/30/49/91/399304991.db2.gz VQOABWDTHQSVMW-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609135593 399305214 /nfs/dbraw/zinc/30/52/14/399305214.db2.gz SIEVGXIJYBASIY-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609257617 399310587 /nfs/dbraw/zinc/31/05/87/399310587.db2.gz AUZVBZLZYJISJM-HNNXBMFYSA-N 1 0 316.361 2.507 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601664129 399317105 /nfs/dbraw/zinc/31/71/05/399317105.db2.gz IQWNEFIMTNKNCJ-LLVKDONJSA-N 1 0 323.368 2.584 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619284001 399324682 /nfs/dbraw/zinc/32/46/82/399324682.db2.gz YEUQHBXGSZYYGV-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO CSC[C@@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344840309 284691818 /nfs/dbraw/zinc/69/18/18/284691818.db2.gz ZVXBQSDFTJTHSL-CEFACKQISA-N 1 0 310.419 2.702 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000421903915 296280235 /nfs/dbraw/zinc/28/02/35/296280235.db2.gz FTXCYUXJQWVUOK-CYBMUJFWSA-N 1 0 307.394 2.670 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421910508 296280958 /nfs/dbraw/zinc/28/09/58/296280958.db2.gz PYFDISAHXRUURO-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000104574898 194016686 /nfs/dbraw/zinc/01/66/86/194016686.db2.gz ITGAGPYTDHNMNL-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1(C(F)F)CC1)OCCO2 ZINC000619431349 399344958 /nfs/dbraw/zinc/34/49/58/399344958.db2.gz KVTKJFPPMZZGSJ-UHFFFAOYSA-N 1 0 314.288 2.501 20 5 DFBDRO CO[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000284811343 218187383 /nfs/dbraw/zinc/18/73/83/218187383.db2.gz PGOFNIWBASBRRZ-ZWNOBZJWSA-N 1 0 309.322 2.502 20 5 DFBDRO CCn1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000105448216 194105055 /nfs/dbraw/zinc/10/50/55/194105055.db2.gz ZAQZCMIRCWROHR-UHFFFAOYSA-N 1 0 302.378 2.760 20 5 DFBDRO Cc1ccc(C[NH2+]CCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000105433696 194105146 /nfs/dbraw/zinc/10/51/46/194105146.db2.gz LEHQVMGVGIOGPM-UHFFFAOYSA-N 1 0 323.393 2.908 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C[C@H]1CCOC1 ZINC000610476215 399370812 /nfs/dbraw/zinc/37/08/12/399370812.db2.gz CTUNIIQVADABBD-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000610476329 399370712 /nfs/dbraw/zinc/37/07/12/399370712.db2.gz LTGYWMFUIILWPE-GFCCVEGCSA-N 1 0 318.352 2.847 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(F)cc3)CCC2)n1 ZINC000610485184 399372544 /nfs/dbraw/zinc/37/25/44/399372544.db2.gz SCNAFHQPNNMXAI-UHFFFAOYSA-N 1 0 304.325 2.599 20 5 DFBDRO C[NH+](C)CCCOC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610510563 399375417 /nfs/dbraw/zinc/37/54/17/399375417.db2.gz YBVZADLUCCYPOJ-UHFFFAOYSA-N 1 0 313.423 2.593 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000106469484 194218321 /nfs/dbraw/zinc/21/83/21/194218321.db2.gz UJBPMYRWGYJBTP-LBPRGKRZSA-N 1 0 318.377 2.534 20 5 DFBDRO C[C@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582603 399382123 /nfs/dbraw/zinc/38/21/23/399382123.db2.gz CSWGZLXXUPYRPL-RYUDHWBXSA-N 1 0 318.377 2.651 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000602016260 399385147 /nfs/dbraw/zinc/38/51/47/399385147.db2.gz AIUXUYHTQMMCDZ-UHFFFAOYSA-N 1 0 314.267 2.600 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)cc1 ZINC000602020444 399386145 /nfs/dbraw/zinc/38/61/45/399386145.db2.gz LDXHNEUTOCWNCN-OKILXGFUSA-N 1 0 313.357 2.791 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000106788695 194253482 /nfs/dbraw/zinc/25/34/82/194253482.db2.gz IKQGOCHOTZJGPE-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO CCOC1CC(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000285318141 218379290 /nfs/dbraw/zinc/37/92/90/218379290.db2.gz WITHTNXTLOFCCU-UHFFFAOYSA-N 1 0 319.405 2.532 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000285354743 218394755 /nfs/dbraw/zinc/39/47/55/218394755.db2.gz BAFOXCYLKAYVHO-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602056098 399390465 /nfs/dbraw/zinc/39/04/65/399390465.db2.gz MSSNPKCSLVJJSI-INIZCTEOSA-N 1 0 317.389 2.570 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109926867 194298326 /nfs/dbraw/zinc/29/83/26/194298326.db2.gz DRBBFFKULIYBPX-UHFFFAOYSA-N 1 0 317.389 2.732 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602109197 399396357 /nfs/dbraw/zinc/39/63/57/399396357.db2.gz IPVSQEBIPAPBIA-INIZCTEOSA-N 1 0 319.405 2.518 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868440 399396493 /nfs/dbraw/zinc/39/64/93/399396493.db2.gz VJEPRXGWIXRIFE-UHFFFAOYSA-N 1 0 323.418 2.604 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(F)(F)F ZINC000273420952 210758128 /nfs/dbraw/zinc/75/81/28/210758128.db2.gz QSRJHDLAIVWFAZ-NWDGAFQWSA-N 1 0 306.284 2.695 20 5 DFBDRO CC[C@@H]([NH2+]CCN(C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268919995 207086998 /nfs/dbraw/zinc/08/69/98/207086998.db2.gz UFGAEYDPBYEWST-MRXNPFEDSA-N 1 0 309.410 2.604 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C2(CCO)CCOCC2)cc1[N+](=O)[O-] ZINC000610771637 399404662 /nfs/dbraw/zinc/40/46/62/399404662.db2.gz LMUKGZHDFYNSAG-UHFFFAOYSA-N 1 0 322.405 2.739 20 5 DFBDRO C[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602174851 399404792 /nfs/dbraw/zinc/40/47/92/399404792.db2.gz VWOZOQZXYROZIV-GLQYFDAESA-N 1 0 319.405 2.543 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000610782580 399406290 /nfs/dbraw/zinc/40/62/90/399406290.db2.gz DMRXDUKTVAIPMX-UHFFFAOYSA-N 1 0 308.769 2.885 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c([N+](=O)[O-])c1 ZINC000055927647 184001310 /nfs/dbraw/zinc/00/13/10/184001310.db2.gz SOJBZZKGBYNRBQ-OAHLLOKOSA-N 1 0 317.389 2.848 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000610828069 399410460 /nfs/dbraw/zinc/41/04/60/399410460.db2.gz JGMUOGXZNAYFIT-KFNAQCHYSA-N 1 0 319.405 2.811 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000422726962 296322369 /nfs/dbraw/zinc/32/23/69/296322369.db2.gz AZUBSANHVQAHJF-GXTWGEPZSA-N 1 0 305.378 2.554 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000610929420 399419115 /nfs/dbraw/zinc/41/91/15/399419115.db2.gz LDBZCEJMNVIROD-UHFFFAOYSA-N 1 0 316.708 2.968 20 5 DFBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000269002346 207159405 /nfs/dbraw/zinc/15/94/05/207159405.db2.gz VAZDTYAQOIGIQC-WFASDCNBSA-N 1 0 323.393 2.573 20 5 DFBDRO CC(C)C[NH+](CC(C)C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060477967 184150067 /nfs/dbraw/zinc/15/00/67/184150067.db2.gz SGSFJJIXAZMUMO-INIZCTEOSA-N 1 0 324.421 2.949 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000060831394 184156523 /nfs/dbraw/zinc/15/65/23/184156523.db2.gz KITBKJSLNCLAMH-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO [NH3+]C1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCCCCC1 ZINC000602424280 399440431 /nfs/dbraw/zinc/44/04/31/399440431.db2.gz ISLUXDPQKOMYOC-UHFFFAOYSA-N 1 0 309.341 2.515 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000611180026 399442825 /nfs/dbraw/zinc/44/28/25/399442825.db2.gz PZBVKBDIBDVMBN-JTQLQIEISA-N 1 0 313.304 2.510 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602447901 399446795 /nfs/dbraw/zinc/44/67/95/399446795.db2.gz CQISJFDPOVXBSW-HNNXBMFYSA-N 1 0 318.352 2.675 20 5 DFBDRO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602459930 399450605 /nfs/dbraw/zinc/45/06/05/399450605.db2.gz WWXKTQMESIFSBV-MRXNPFEDSA-N 1 0 314.389 2.844 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611249490 399450945 /nfs/dbraw/zinc/45/09/45/399450945.db2.gz NALJGFOZHZZGJW-TXEJJXNPSA-N 1 0 306.362 2.844 20 5 DFBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1C[C@@H](OCC)C1(C)C ZINC000602471215 399452994 /nfs/dbraw/zinc/45/29/94/399452994.db2.gz KKDOVBQCGKYVNM-UONOGXRCSA-N 1 0 324.425 2.744 20 5 DFBDRO Cn1cc(CN2CCc3c(Cl)cccc3C2)c([N+](=O)[O-])n1 ZINC000602471642 399453395 /nfs/dbraw/zinc/45/33/95/399453395.db2.gz CCSRZHKTDRNCIL-UHFFFAOYSA-N 1 0 306.753 2.540 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+](CCCO)C1CC1 ZINC000602471121 399453427 /nfs/dbraw/zinc/45/34/27/399453427.db2.gz FRFXXYKSTSXFQW-UHFFFAOYSA-N 1 0 318.295 2.960 20 5 DFBDRO CO[C@@]1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCOC1 ZINC000602440685 399445011 /nfs/dbraw/zinc/44/50/11/399445011.db2.gz RNMDCRJWKOFHCU-MRXNPFEDSA-N 1 0 308.378 2.611 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611298450 399459786 /nfs/dbraw/zinc/45/97/86/399459786.db2.gz IIBDBPPSHWHMPC-VHSXEESVSA-N 1 0 315.320 2.725 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000063465045 184281905 /nfs/dbraw/zinc/28/19/05/184281905.db2.gz NEASNDJQRUWJHD-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000063464783 184282020 /nfs/dbraw/zinc/28/20/20/184282020.db2.gz WLBQDUTVWYVTLV-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000611337091 399462834 /nfs/dbraw/zinc/46/28/34/399462834.db2.gz ZSVJTAZDKZFXDE-ZDUSSCGKSA-N 1 0 308.378 2.749 20 5 DFBDRO CN(CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000602515200 399465507 /nfs/dbraw/zinc/46/55/07/399465507.db2.gz OKYKETHQUKPPJC-UHFFFAOYSA-N 1 0 319.327 2.611 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602512874 399464882 /nfs/dbraw/zinc/46/48/82/399464882.db2.gz ZRVFJNYPRUNJEW-LLVKDONJSA-N 1 0 306.366 2.556 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515147 399465814 /nfs/dbraw/zinc/46/58/14/399465814.db2.gz NHVGNYQLWMTXNS-LBPRGKRZSA-N 1 0 318.377 2.700 20 5 DFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346690708 284926085 /nfs/dbraw/zinc/92/60/85/284926085.db2.gz UYFSEVYVABPUBV-CYBMUJFWSA-N 1 0 301.346 2.649 20 5 DFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602521613 399467308 /nfs/dbraw/zinc/46/73/08/399467308.db2.gz MGLVHCXNPDTNIX-HNNXBMFYSA-N 1 0 306.410 2.983 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602536610 399470108 /nfs/dbraw/zinc/47/01/08/399470108.db2.gz VCZKUEULCOHMSW-OAHLLOKOSA-N 1 0 319.405 2.506 20 5 DFBDRO CC(C)c1noc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602535970 399469923 /nfs/dbraw/zinc/46/99/23/399469923.db2.gz UFMPIFCMTFMUKQ-UHFFFAOYSA-N 1 0 318.377 2.866 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602546391 399472186 /nfs/dbraw/zinc/47/21/86/399472186.db2.gz RIQQTDDBQAQZGH-CYBMUJFWSA-N 1 0 318.295 2.864 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3ccnn3c2)cc1[N+](=O)[O-] ZINC000611404332 399471166 /nfs/dbraw/zinc/47/11/66/399471166.db2.gz ZLDPYEZQUQYABW-LBPRGKRZSA-N 1 0 311.345 2.797 20 5 DFBDRO C[C@H]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[NH2+]1 ZINC000602556918 399474586 /nfs/dbraw/zinc/47/45/86/399474586.db2.gz XRPGYZAKUSEZGB-GXSJLCMTSA-N 1 0 319.386 2.680 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CCO)c2ccccc2)cc1 ZINC000602552263 399474119 /nfs/dbraw/zinc/47/41/19/399474119.db2.gz MNKQUUHWESQTTI-KRWDZBQOSA-N 1 0 314.385 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCCC3CC3)CC2)cn1 ZINC000602557985 399475157 /nfs/dbraw/zinc/47/51/57/399475157.db2.gz QRIGDMLSGSSWLM-UHFFFAOYSA-N 1 0 304.394 2.738 20 5 DFBDRO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563615 399477134 /nfs/dbraw/zinc/47/71/34/399477134.db2.gz NFBOOJCKQRXQJC-BZNIZROVSA-N 1 0 319.361 2.887 20 5 DFBDRO C[C@H](CCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602563486 399477296 /nfs/dbraw/zinc/47/72/96/399477296.db2.gz WWRPIBOKBABFJG-SSDOTTSWSA-N 1 0 323.212 2.527 20 5 DFBDRO C[C@@H](CCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602560704 399475934 /nfs/dbraw/zinc/47/59/34/399475934.db2.gz KZSDBTXQTUNOCP-VIFPVBQESA-N 1 0 306.284 2.722 20 5 DFBDRO CN1Cc2ccccc2[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602578377 399481794 /nfs/dbraw/zinc/48/17/94/399481794.db2.gz DVJIGZIOAHSBTL-SFHVURJKSA-N 1 0 311.385 2.914 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3(C4CC4)CC3)CC2)cn1 ZINC000602583101 399483194 /nfs/dbraw/zinc/48/31/94/399483194.db2.gz PUWCUZQADHTVLM-UHFFFAOYSA-N 1 0 316.405 2.738 20 5 DFBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000602610175 399489439 /nfs/dbraw/zinc/48/94/39/399489439.db2.gz GZRWTOUEWFCXGK-IRXDYDNUSA-N 1 0 304.390 2.932 20 5 DFBDRO COc1cc(CN2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000611516671 399486587 /nfs/dbraw/zinc/48/65/87/399486587.db2.gz MKSXFZDSCKEHJK-CQSZACIVSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@@H]([NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)n1cncn1 ZINC000602612270 399490112 /nfs/dbraw/zinc/49/01/12/399490112.db2.gz OSWOGSJGRQDEPC-GFCCVEGCSA-N 1 0 317.393 2.835 20 5 DFBDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000602621309 399492757 /nfs/dbraw/zinc/49/27/57/399492757.db2.gz HGQDHJCFAOXDQP-SNVBAGLBSA-N 1 0 317.370 2.749 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](OC(F)F)C2)c1 ZINC000611578442 399496279 /nfs/dbraw/zinc/49/62/79/399496279.db2.gz OLPICOKPWIBPIJ-ZDUSSCGKSA-N 1 0 316.304 2.677 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc(F)c1N ZINC000602651205 399502756 /nfs/dbraw/zinc/50/27/56/399502756.db2.gz RJELYEBDFNPWMC-UHFFFAOYSA-N 1 0 303.337 2.991 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000602647067 399501670 /nfs/dbraw/zinc/50/16/70/399501670.db2.gz SHLUPUQARJDTLF-BXKDBHETSA-N 1 0 318.295 2.864 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656817 399504660 /nfs/dbraw/zinc/50/46/60/399504660.db2.gz OEHYZIHJOWJYSJ-GFCCVEGCSA-N 1 0 318.377 2.556 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H](CO)C3CCCCC3)nc2c1 ZINC000611684742 399504786 /nfs/dbraw/zinc/50/47/86/399504786.db2.gz UUFOLCSVCAGMRE-AWEZNQCLSA-N 1 0 319.361 2.767 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000269274708 207419296 /nfs/dbraw/zinc/41/92/96/207419296.db2.gz NZRVSEKIPYBBAX-NSHDSACASA-N 1 0 307.375 2.523 20 5 DFBDRO COc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000292952494 532959191 /nfs/dbraw/zinc/95/91/91/532959191.db2.gz CCIDIXMHBNGJTN-ZDUSSCGKSA-N 1 0 305.378 2.526 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000422820905 296339330 /nfs/dbraw/zinc/33/93/30/296339330.db2.gz SVOFYZCOFGRLMS-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO CCC[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602662142 399507518 /nfs/dbraw/zinc/50/75/18/399507518.db2.gz MUHRLHJZCHXESU-OAHLLOKOSA-N 1 0 305.334 2.785 20 5 DFBDRO CCCN(CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602661603 399507372 /nfs/dbraw/zinc/50/73/72/399507372.db2.gz FXSRWCDHEWJESL-UHFFFAOYSA-N 1 0 320.393 2.900 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611707039 399507980 /nfs/dbraw/zinc/50/79/80/399507980.db2.gz NBPPHIIJHJHWRV-GFCCVEGCSA-N 1 0 315.377 2.824 20 5 DFBDRO CCOC1CC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602662805 399508041 /nfs/dbraw/zinc/50/80/41/399508041.db2.gz ANGAVIVJEVBEAL-UHFFFAOYSA-N 1 0 305.334 2.735 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347017803 285005796 /nfs/dbraw/zinc/00/57/96/285005796.db2.gz YQIHEFUZFGTWFT-GFCCVEGCSA-N 1 0 323.780 2.557 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000422843630 296343509 /nfs/dbraw/zinc/34/35/09/296343509.db2.gz IZVDRLKARMATEQ-GWCFXTLKSA-N 1 0 323.418 2.516 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422869116 296347830 /nfs/dbraw/zinc/34/78/30/296347830.db2.gz WDMJPNCBBYDOEF-ZWNOBZJWSA-N 1 0 323.418 2.564 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000422869114 296347792 /nfs/dbraw/zinc/34/77/92/296347792.db2.gz WDMJPNCBBYDOEF-GXFFZTMASA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(NC3CC[NH+](C4CC4)CC3)c21 ZINC000347402586 285035466 /nfs/dbraw/zinc/03/54/66/285035466.db2.gz SWSXNSRSOTYXFF-UHFFFAOYSA-N 1 0 313.361 2.577 20 5 DFBDRO COc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269711892 207786531 /nfs/dbraw/zinc/78/65/31/207786531.db2.gz PSJWIDCZCBTNFL-MLGOLLRUSA-N 1 0 316.357 2.988 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000119912340 195061602 /nfs/dbraw/zinc/06/16/02/195061602.db2.gz DRSGIZCZJHIHQQ-XHSDSOJGSA-N 1 0 304.390 2.883 20 5 DFBDRO CC[C@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000422948258 296359637 /nfs/dbraw/zinc/35/96/37/296359637.db2.gz ROIHLFRVMGSWQI-UONOGXRCSA-N 1 0 307.394 2.614 20 5 DFBDRO CC[N@@H+]1CC[C@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696047 399524301 /nfs/dbraw/zinc/52/43/01/399524301.db2.gz ZTMWMJHLFVIRSJ-LBPRGKRZSA-N 1 0 317.311 2.797 20 5 DFBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000602695871 399524543 /nfs/dbraw/zinc/52/45/43/399524543.db2.gz PTWOWRQFHHWFMY-LBPRGKRZSA-N 1 0 307.350 2.887 20 5 DFBDRO C[C@H](O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000602697316 399525676 /nfs/dbraw/zinc/52/56/76/399525676.db2.gz FSLMMAORRVEJRG-YVEFUNNKSA-N 1 0 318.348 2.988 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000172773074 285080403 /nfs/dbraw/zinc/08/04/03/285080403.db2.gz VEXYIBWNMAYNDH-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO O=C1CCCCN1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000120143269 195105818 /nfs/dbraw/zinc/10/58/18/195105818.db2.gz YBXRTSYAISMMCF-UHFFFAOYSA-N 1 0 317.389 2.572 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([NH+]2CCCC2)CC1 ZINC000153596937 285091314 /nfs/dbraw/zinc/09/13/14/285091314.db2.gz GKCWEJXOPPOMLC-UHFFFAOYSA-N 1 0 310.785 2.708 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000270260746 208327620 /nfs/dbraw/zinc/32/76/20/208327620.db2.gz IHKKGCUHKGSJAU-INIZCTEOSA-N 1 0 304.321 2.731 20 5 DFBDRO Cc1cc(N[C@@H]2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611919019 399543907 /nfs/dbraw/zinc/54/39/07/399543907.db2.gz NBMHDFNHMFPRDW-DGCLKSJQSA-N 1 0 301.346 2.589 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629380 285101563 /nfs/dbraw/zinc/10/15/63/285101563.db2.gz KCJMNZJWJSRGOT-ZFWWWQNUSA-N 1 0 319.405 2.894 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158938858 197313030 /nfs/dbraw/zinc/31/30/30/197313030.db2.gz KCOLMTCCXLFQSB-BBRMVZONSA-N 1 0 319.405 2.520 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091504 296377002 /nfs/dbraw/zinc/37/70/02/296377002.db2.gz XIPIAJXIZVXQQA-RNCFNFMXSA-N 1 0 317.311 2.701 20 5 DFBDRO Cc1c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641006 197290972 /nfs/dbraw/zinc/29/09/72/197290972.db2.gz ITHCTBLYGZHUCR-NVXWUHKLSA-N 1 0 303.406 2.819 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000272950859 210338448 /nfs/dbraw/zinc/33/84/48/210338448.db2.gz UXXWRBGILOHSFX-ZDUSSCGKSA-N 1 0 319.405 2.846 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000602757442 399558142 /nfs/dbraw/zinc/55/81/42/399558142.db2.gz DYOJVEMGDBXRKH-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO COc1ccc([C@@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602756842 399558160 /nfs/dbraw/zinc/55/81/60/399558160.db2.gz ALIHKXGAUIMMTP-GFCCVEGCSA-N 1 0 318.377 2.801 20 5 DFBDRO COC[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272892010 210281860 /nfs/dbraw/zinc/28/18/60/210281860.db2.gz YBSDHKAYIOKARJ-GFCCVEGCSA-N 1 0 301.346 2.924 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccccc2)CC1 ZINC000602768959 399563310 /nfs/dbraw/zinc/56/33/10/399563310.db2.gz YLWAFSQVVLUZIU-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCc2ccccc2C1 ZINC000602776456 399568847 /nfs/dbraw/zinc/56/88/47/399568847.db2.gz REBIZBVVTLRXRY-UHFFFAOYSA-N 1 0 300.362 2.548 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccccc2)C[C@@H]1C ZINC000602778145 399569025 /nfs/dbraw/zinc/56/90/25/399569025.db2.gz FKUSLZPMDLQSIS-XJKSGUPXSA-N 1 0 314.389 2.978 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000296519139 285163551 /nfs/dbraw/zinc/16/35/51/285163551.db2.gz MQBYRLZJKYBVEU-UHFFFAOYSA-N 1 0 311.332 2.762 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000602791260 399576261 /nfs/dbraw/zinc/57/62/61/399576261.db2.gz CLDBJRHEADLDOD-QGZVFWFLSA-N 1 0 314.389 2.941 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCCCC2)s1 ZINC000376754990 285173866 /nfs/dbraw/zinc/17/38/66/285173866.db2.gz UXXMVUDFTDZCTL-LBPRGKRZSA-N 1 0 310.423 2.896 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(F)c(C)c1 ZINC000602807275 399583661 /nfs/dbraw/zinc/58/36/61/399583661.db2.gz XAPOJMPQEYFUQT-NSHDSACASA-N 1 0 306.341 2.898 20 5 DFBDRO CCc1ccc([C@H](N[C@@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423218580 296393612 /nfs/dbraw/zinc/39/36/12/296393612.db2.gz UXDMMCBLKKQPEB-CXAGYDPISA-N 1 0 315.373 2.791 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000602816186 399587779 /nfs/dbraw/zinc/58/77/79/399587779.db2.gz BAWKJANIJZFSME-UHFFFAOYSA-N 1 0 302.378 2.849 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1ccccc1C ZINC000602832845 399594083 /nfs/dbraw/zinc/59/40/83/399594083.db2.gz RSLYNBPMPOUUKN-UHFFFAOYSA-N 1 0 302.378 2.933 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000602843249 399599097 /nfs/dbraw/zinc/59/90/97/399599097.db2.gz ZKNPZPORBMNRIU-INIZCTEOSA-N 1 0 314.389 2.979 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155112547 197023195 /nfs/dbraw/zinc/02/31/95/197023195.db2.gz WSSOVLZZCGCGNF-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294732156 224199127 /nfs/dbraw/zinc/19/91/27/224199127.db2.gz KRXZWMHGYLIGAW-ONGXEEELSA-N 1 0 313.448 2.676 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294720009 224190803 /nfs/dbraw/zinc/19/08/03/224190803.db2.gz FIMVZHAQSRSEMK-LLVKDONJSA-N 1 0 315.377 2.701 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000423441230 296417075 /nfs/dbraw/zinc/41/70/75/296417075.db2.gz BDGDFALQXDORMJ-NEPJUHHUSA-N 1 0 305.378 2.528 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000602873646 399611622 /nfs/dbraw/zinc/61/16/22/399611622.db2.gz RNDKFPUMDCOOMK-CYBMUJFWSA-N 1 0 322.409 2.523 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066137597 542457854 /nfs/dbraw/zinc/45/78/54/542457854.db2.gz CZRVAYDAAUBZBX-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000423470828 296418996 /nfs/dbraw/zinc/41/89/96/296418996.db2.gz DLPOHPIVLGPFLM-KGLIPLIRSA-N 1 0 311.332 2.559 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890950 399617220 /nfs/dbraw/zinc/61/72/20/399617220.db2.gz DPBFNVNCKXIWJH-AWEZNQCLSA-N 1 0 319.340 2.553 20 5 DFBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000120808584 195242210 /nfs/dbraw/zinc/24/22/10/195242210.db2.gz LPPPUYCPWONHKI-OCCSQVGLSA-N 1 0 307.394 2.561 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2c2ncccn2)c1 ZINC000602895841 399618692 /nfs/dbraw/zinc/61/86/92/399618692.db2.gz CPKHIQUNDKEZAV-OAHLLOKOSA-N 1 0 314.345 2.601 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2c2ncccn2)cc1 ZINC000602900456 399619560 /nfs/dbraw/zinc/61/95/60/399619560.db2.gz UYUYOFPYIHWCBH-OAHLLOKOSA-N 1 0 314.345 2.601 20 5 DFBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271598639 209046946 /nfs/dbraw/zinc/04/69/46/209046946.db2.gz UWAXVCRXDDTJIM-BLLLJJGKSA-N 1 0 301.346 2.716 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000271603010 209051557 /nfs/dbraw/zinc/05/15/57/209051557.db2.gz ABUDNDCGROYGTN-QGZVFWFLSA-N 1 0 316.357 2.687 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000289645388 221125803 /nfs/dbraw/zinc/12/58/03/221125803.db2.gz FXUPQOWMDMJMLY-GOEBONIOSA-N 1 0 314.389 2.861 20 5 DFBDRO CC[C@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602924646 399629129 /nfs/dbraw/zinc/62/91/29/399629129.db2.gz PDZDEQSDOAPEMF-HNNXBMFYSA-N 1 0 306.341 2.882 20 5 DFBDRO COCc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000289773300 221215397 /nfs/dbraw/zinc/21/53/97/221215397.db2.gz KQWPGBYSZSGFNF-UHFFFAOYSA-N 1 0 315.373 2.707 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000294902155 224297682 /nfs/dbraw/zinc/29/76/82/224297682.db2.gz RRVDVMLZETYNDG-NSHDSACASA-N 1 0 311.769 2.510 20 5 DFBDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000289840724 221263242 /nfs/dbraw/zinc/26/32/42/221263242.db2.gz PIXKVNQIDMBKRM-GDBMZVCRSA-N 1 0 303.406 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000289871165 221281882 /nfs/dbraw/zinc/28/18/82/221281882.db2.gz PBEIDKRUQHTUAH-ROUUACIJSA-N 1 0 312.369 2.851 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289943578 221332666 /nfs/dbraw/zinc/33/26/66/221332666.db2.gz WDBJVSHIPAFDSU-LLVKDONJSA-N 1 0 320.418 2.908 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000423695152 296439795 /nfs/dbraw/zinc/43/97/95/296439795.db2.gz GLUKBVKKKAFRMV-CQSZACIVSA-N 1 0 319.405 2.782 20 5 DFBDRO Cc1nnc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000289960283 221342563 /nfs/dbraw/zinc/34/25/63/221342563.db2.gz VIHKISSHDWCNTF-UHFFFAOYSA-N 1 0 312.782 2.740 20 5 DFBDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000289964408 221346252 /nfs/dbraw/zinc/34/62/52/221346252.db2.gz CQQYEYSGPZGLMP-LBPRGKRZSA-N 1 0 303.362 2.895 20 5 DFBDRO CC(C)[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290020627 221385288 /nfs/dbraw/zinc/38/52/88/221385288.db2.gz VCDFRZGDIKVFBF-UHFFFAOYSA-N 1 0 320.130 2.697 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](n3cc(Cl)cn3)C2)cc1 ZINC000290030166 221390061 /nfs/dbraw/zinc/39/00/61/221390061.db2.gz VTXORLRXOMDDFU-OAHLLOKOSA-N 1 0 320.780 2.934 20 5 DFBDRO CCc1ccc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC000602963533 399641301 /nfs/dbraw/zinc/64/13/01/399641301.db2.gz XNUOLTUSYYNROB-QGZVFWFLSA-N 1 0 315.373 2.550 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997655 399654352 /nfs/dbraw/zinc/65/43/52/399654352.db2.gz OLGHYFQIDOPGHX-PMPSAXMXSA-N 1 0 320.389 2.729 20 5 DFBDRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967480 399642881 /nfs/dbraw/zinc/64/28/81/399642881.db2.gz JFNZICLKYJQKDS-VWYCJHECSA-N 1 0 320.315 2.843 20 5 DFBDRO Cc1c(Cn2cc([C@H]([NH3+])C(C)(C)C)nn2)cccc1[N+](=O)[O-] ZINC000603199072 399708423 /nfs/dbraw/zinc/70/84/23/399708423.db2.gz QWMZAVCJHDGPNP-AWEZNQCLSA-N 1 0 303.366 2.589 20 5 DFBDRO CC(C)(C)[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000603219092 399713729 /nfs/dbraw/zinc/71/37/29/399713729.db2.gz RSQUINXADPXKQW-ZDUSSCGKSA-N 1 0 323.784 2.934 20 5 DFBDRO Cc1nccnc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000294978256 224354813 /nfs/dbraw/zinc/35/48/13/224354813.db2.gz KLBMDBCIURSHIX-GFCCVEGCSA-N 1 0 300.362 2.895 20 5 DFBDRO O=C(CC[C@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729743 296442134 /nfs/dbraw/zinc/44/21/34/296442134.db2.gz VLUJYLJPJSXUDG-CQSZACIVSA-N 1 0 317.389 2.618 20 5 DFBDRO CC[C@@](C)([NH3+])c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252561 399724043 /nfs/dbraw/zinc/72/40/43/399724043.db2.gz VAIQSICEYJZJHA-XHDPSFHLSA-N 1 0 303.366 2.688 20 5 DFBDRO CC[C@@](C)([NH3+])c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252104 399724231 /nfs/dbraw/zinc/72/42/31/399724231.db2.gz VAIQSICEYJZJHA-IAQYHMDHSA-N 1 0 303.366 2.688 20 5 DFBDRO Cc1ccc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)cc1[N+](=O)[O-] ZINC000121146255 195299258 /nfs/dbraw/zinc/29/92/58/195299258.db2.gz JAJZGAVRKJJEIH-UHFFFAOYSA-N 1 0 321.421 2.934 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CCO)c1ccccc1 ZINC000271621953 209068675 /nfs/dbraw/zinc/06/86/75/209068675.db2.gz ACLRKKGJTBEQAL-OAHLLOKOSA-N 1 0 316.357 2.687 20 5 DFBDRO C[C@@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000127192597 195855900 /nfs/dbraw/zinc/85/59/00/195855900.db2.gz QCTRRTKDFZCCKT-KCQAQPDRSA-N 1 0 319.405 2.798 20 5 DFBDRO COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047068 533570837 /nfs/dbraw/zinc/57/08/37/533570837.db2.gz SUIZPUBHRXYZRX-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603402030 399767000 /nfs/dbraw/zinc/76/70/00/399767000.db2.gz LNXFPRVFOMWHIA-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423937860 296468266 /nfs/dbraw/zinc/46/82/66/296468266.db2.gz GUEMRHVZKIRPSH-OAHLLOKOSA-N 1 0 319.405 2.966 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000423972585 296470354 /nfs/dbraw/zinc/47/03/54/296470354.db2.gz IJKPMVRQCROUKI-LBPRGKRZSA-N 1 0 319.386 2.649 20 5 DFBDRO CCOc1cccc(NCC[NH+]2CCC(OC)CC2)c1[N+](=O)[O-] ZINC000613046748 399783882 /nfs/dbraw/zinc/78/38/82/399783882.db2.gz RDRDFACRBLQVSE-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617731481 399785612 /nfs/dbraw/zinc/78/56/12/399785612.db2.gz GTNMDOSMMWBDIA-ZFWWWQNUSA-N 1 0 319.405 2.689 20 5 DFBDRO C[N@H+](CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000209839064 542869486 /nfs/dbraw/zinc/86/94/86/542869486.db2.gz QIMMWIVSPCVCJC-FLIBITNWSA-N 1 0 317.389 2.599 20 5 DFBDRO CC[C@@H]([NH2+]CCN1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000223474694 542886311 /nfs/dbraw/zinc/88/63/11/542886311.db2.gz LAXDWUFDCPKLEF-OAHLLOKOSA-N 1 0 309.435 2.684 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCCC2)no1 ZINC000424345658 296504173 /nfs/dbraw/zinc/50/41/73/296504173.db2.gz NAYCYPYYHXIFEZ-UHFFFAOYSA-N 1 0 318.333 2.772 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000293042975 543019603 /nfs/dbraw/zinc/01/96/03/543019603.db2.gz KXQIXWLHVMUCIH-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO Cc1nn(C)c(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301298379 543046205 /nfs/dbraw/zinc/04/62/05/543046205.db2.gz TTZWXVBAFFIXJJ-NSHDSACASA-N 1 0 309.414 2.559 20 5 DFBDRO C[N@H+](CCCNc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000309772545 543066173 /nfs/dbraw/zinc/06/61/73/543066173.db2.gz SRDHAGHBDWRBTC-UHFFFAOYSA-N 1 0 300.362 2.924 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc(N)c([N+](=O)[O-])n1 ZINC000309764485 543066225 /nfs/dbraw/zinc/06/62/25/543066225.db2.gz FSHIYCKYFXNBMK-GFCCVEGCSA-N 1 0 315.377 2.504 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000348821629 285689120 /nfs/dbraw/zinc/68/91/20/285689120.db2.gz KFNZQTGVFJEOQN-UHFFFAOYSA-N 1 0 314.389 2.973 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)o1 ZINC000604554222 399855179 /nfs/dbraw/zinc/85/51/79/399855179.db2.gz NZBZCFLLZXIPBG-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173392647 145342132 /nfs/dbraw/zinc/34/21/32/145342132.db2.gz NVNIBIDQWHTDKI-GFCCVEGCSA-N 1 0 313.357 2.587 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178638877 145528599 /nfs/dbraw/zinc/52/85/99/145528599.db2.gz JEKKJMFXTIDGEP-UHOFOFEASA-N 1 0 317.389 2.868 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CO)[C@H](c3ccsc3)C2)cs1 ZINC000188151370 145776573 /nfs/dbraw/zinc/77/65/73/145776573.db2.gz GIMNFOSQMBSFOA-OLZOCXBDSA-N 1 0 324.427 2.926 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232988053 146018353 /nfs/dbraw/zinc/01/83/53/146018353.db2.gz QMBWQDVMVPUJJJ-QMMMGPOBSA-N 1 0 306.288 2.938 20 5 DFBDRO [NH3+]C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCCCC1 ZINC000237839444 146053407 /nfs/dbraw/zinc/05/34/07/146053407.db2.gz RITWWOHSQPCQTP-UHFFFAOYSA-N 1 0 309.341 2.515 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245397749 146064725 /nfs/dbraw/zinc/06/47/25/146064725.db2.gz QGEMRPTTYKPRQQ-QWHCGFSZSA-N 1 0 322.409 2.685 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427700 146069348 /nfs/dbraw/zinc/06/93/48/146069348.db2.gz MCFIHFFWUABDSY-XJKSGUPXSA-N 1 0 321.421 2.766 20 5 DFBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000246184590 146127382 /nfs/dbraw/zinc/12/73/82/146127382.db2.gz KUTBHMRENGGJPI-GDBMZVCRSA-N 1 0 314.389 2.917 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261734970 146268388 /nfs/dbraw/zinc/26/83/88/146268388.db2.gz OPDUNDOAZPLORO-ZWKOTPCHSA-N 1 0 311.385 2.830 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261895119 146296398 /nfs/dbraw/zinc/29/63/98/146296398.db2.gz GALAXEVKZSLWJJ-JKSUJKDBSA-N 1 0 315.348 2.661 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 ZINC000261985129 146314722 /nfs/dbraw/zinc/31/47/22/146314722.db2.gz RVOXEOANCDITHW-YRGRVCCFSA-N 1 0 309.797 2.807 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000355578048 147371274 /nfs/dbraw/zinc/37/12/74/147371274.db2.gz FFNYCBQGAKNQDQ-STQMWFEESA-N 1 0 320.393 2.816 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000356622709 147758851 /nfs/dbraw/zinc/75/88/51/147758851.db2.gz CHYFRWBZGVKNFR-JTQLQIEISA-N 1 0 313.423 2.815 20 5 DFBDRO COCc1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000357417157 147985655 /nfs/dbraw/zinc/98/56/55/147985655.db2.gz PCBFUACOVCAIPM-UHFFFAOYSA-N 1 0 307.375 2.530 20 5 DFBDRO CSC1(CNc2ccc([N+](=O)[O-])cc2F)CC[NH+](C)CC1 ZINC000357548648 148032661 /nfs/dbraw/zinc/03/26/61/148032661.db2.gz OJUZERCHRLKCMR-UHFFFAOYSA-N 1 0 313.398 2.973 20 5 DFBDRO CSC1(CNc2nccc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357551967 148034555 /nfs/dbraw/zinc/03/45/55/148034555.db2.gz UTJGXMFZXQJMAM-UHFFFAOYSA-N 1 0 310.423 2.538 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736896 148101744 /nfs/dbraw/zinc/10/17/44/148101744.db2.gz CMVILNJNMVRSDT-IJEWVQPXSA-N 1 0 322.405 2.845 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000357774406 148116868 /nfs/dbraw/zinc/11/68/68/148116868.db2.gz KNKASWAINJOGDV-JTQLQIEISA-N 1 0 311.411 2.836 20 5 DFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000357918176 148175532 /nfs/dbraw/zinc/17/55/32/148175532.db2.gz BQPOPIYSWNWXGD-UONOGXRCSA-N 1 0 324.425 2.707 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214542 148287782 /nfs/dbraw/zinc/28/77/82/148287782.db2.gz VHWGCHVKUMKJBL-JKSUJKDBSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)cc1 ZINC000358272470 148314028 /nfs/dbraw/zinc/31/40/28/148314028.db2.gz YRDKAVXXRZKDAF-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000358283782 148318475 /nfs/dbraw/zinc/31/84/75/148318475.db2.gz VEEORWOXEUUUAE-UHFFFAOYSA-N 1 0 317.345 2.734 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318727 148328302 /nfs/dbraw/zinc/32/83/02/148328302.db2.gz NDWNSBSNVHCMGH-UKRRQHHQSA-N 1 0 320.389 2.974 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358347590 148337164 /nfs/dbraw/zinc/33/71/64/148337164.db2.gz CCOXRRIPUBBALT-ZYHUDNBSSA-N 1 0 306.284 2.949 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)(F)F ZINC000358358350 148340713 /nfs/dbraw/zinc/34/07/13/148340713.db2.gz RVKMTYYNDFZGMS-PWSUYJOCSA-N 1 0 320.311 2.819 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415739 148351517 /nfs/dbraw/zinc/35/15/17/148351517.db2.gz UJIWDONTEXDKSQ-UKRRQHHQSA-N 1 0 308.378 2.599 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000361042547 149016009 /nfs/dbraw/zinc/01/60/09/149016009.db2.gz LKYSYYIKFRMEQK-CQSZACIVSA-N 1 0 323.441 2.900 20 5 DFBDRO Cc1ccncc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000361414608 149108678 /nfs/dbraw/zinc/10/86/78/149108678.db2.gz VZOXUPFBISZTGG-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516555 149136958 /nfs/dbraw/zinc/13/69/58/149136958.db2.gz RIWPDSQAGPPKDD-CABCVRRESA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](COCC2CC2)C1 ZINC000362590053 149316783 /nfs/dbraw/zinc/31/67/83/149316783.db2.gz IPHOXVWABXBFDH-SUMWQHHRSA-N 1 0 320.389 2.783 20 5 DFBDRO Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000362618144 149324821 /nfs/dbraw/zinc/32/48/21/149324821.db2.gz WLXKXEBUXLBYKY-FMKPAKJESA-N 1 0 317.389 2.522 20 5 DFBDRO COCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426288359 296622717 /nfs/dbraw/zinc/62/27/17/296622717.db2.gz CYQUXPAGVKNNGJ-LBPRGKRZSA-N 1 0 323.393 2.574 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369480949 149790725 /nfs/dbraw/zinc/79/07/25/149790725.db2.gz DVPXQULIJFAQLY-WFASDCNBSA-N 1 0 323.368 2.647 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H](C2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000371308588 150020540 /nfs/dbraw/zinc/02/05/40/150020540.db2.gz QAHJHRKXIJQFKZ-CYBMUJFWSA-N 1 0 303.362 2.655 20 5 DFBDRO CO[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371733281 150087649 /nfs/dbraw/zinc/08/76/49/150087649.db2.gz BLAREAQBPSEFLC-HNNXBMFYSA-N 1 0 308.378 2.865 20 5 DFBDRO Cc1cc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000372274737 150156625 /nfs/dbraw/zinc/15/66/25/150156625.db2.gz SHAAKVHJHKXUEL-LLVKDONJSA-N 1 0 306.391 2.688 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372861707 150194190 /nfs/dbraw/zinc/19/41/90/150194190.db2.gz XPSMFCUJYCKOFM-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000376021021 150517367 /nfs/dbraw/zinc/51/73/67/150517367.db2.gz YXURPURIONGESL-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862507 286234008 /nfs/dbraw/zinc/23/40/08/286234008.db2.gz PRHJYUWBTRMJSP-QWHCGFSZSA-N 1 0 307.394 2.551 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000361216035 292246606 /nfs/dbraw/zinc/24/66/06/292246606.db2.gz LFVSZBKIDABGNG-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352184075 286313919 /nfs/dbraw/zinc/31/39/19/286313919.db2.gz MIDLJKFWJLWCPF-OUAUKWLOSA-N 1 0 309.341 2.934 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372616184 292296027 /nfs/dbraw/zinc/29/60/27/292296027.db2.gz CQJYEFDFMFFQKL-LRDDRELGSA-N 1 0 319.361 2.539 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000352545132 286403847 /nfs/dbraw/zinc/40/38/47/286403847.db2.gz GGJRPWOXMXMEMX-OAHLLOKOSA-N 1 0 309.797 2.824 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352796548 286470468 /nfs/dbraw/zinc/47/04/68/286470468.db2.gz GOFLAMBGTUFXLY-STQMWFEESA-N 1 0 307.369 2.793 20 5 DFBDRO COC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000428851463 296718589 /nfs/dbraw/zinc/71/85/89/296718589.db2.gz RDBPHFZRFXFFOM-UHFFFAOYSA-N 1 0 322.405 2.703 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](CO)C3CC3)o2)c1 ZINC000353073935 286544750 /nfs/dbraw/zinc/54/47/50/286544750.db2.gz RIXZIIZGZDBHMA-CQSZACIVSA-N 1 0 316.357 2.963 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000353115799 286554830 /nfs/dbraw/zinc/55/48/30/286554830.db2.gz FGRCELANYVOTRV-GOEBONIOSA-N 1 0 319.405 2.686 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429306806 296742213 /nfs/dbraw/zinc/74/22/13/296742213.db2.gz MQTMWSFGDQPKIW-CYBMUJFWSA-N 1 0 314.341 2.566 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000245812181 158081060 /nfs/dbraw/zinc/08/10/60/158081060.db2.gz ZPODDAIPWGCOSY-LFECJLGQSA-N 1 0 301.390 2.777 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000246353545 158086798 /nfs/dbraw/zinc/08/67/98/158086798.db2.gz WKYWHUZRTMQWJF-JKSUJKDBSA-N 1 0 316.361 2.579 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000248012255 158156386 /nfs/dbraw/zinc/15/63/86/158156386.db2.gz LJLQETOXVHZNFJ-ZQIUZPCESA-N 1 0 321.421 2.745 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248370857 158168901 /nfs/dbraw/zinc/16/89/01/158168901.db2.gz YAJIBZLSRJLNHD-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248456342 158177998 /nfs/dbraw/zinc/17/79/98/158177998.db2.gz LNVKBRLMHDRICD-SWLSCSKDSA-N 1 0 320.389 2.597 20 5 DFBDRO C[NH2+]C(C)(C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000269931885 158209721 /nfs/dbraw/zinc/20/97/21/158209721.db2.gz DFRZHNLZQZRMQL-UHFFFAOYSA-N 1 0 302.172 2.767 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207604 158298609 /nfs/dbraw/zinc/29/86/09/158298609.db2.gz OMCOFPXRYZVNHF-HUUCEWRRSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000357034662 158352696 /nfs/dbraw/zinc/35/26/96/158352696.db2.gz IQNBNROYKAWPMU-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CCOc1cccc(N(C)CCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000358677036 158398365 /nfs/dbraw/zinc/39/83/65/158398365.db2.gz KKLBVWGXWBGXMP-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493654269 299805100 /nfs/dbraw/zinc/80/51/00/299805100.db2.gz NVKLGFJDBUMZDG-MDZDMXLPSA-N 1 0 317.389 2.599 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430243289 296780046 /nfs/dbraw/zinc/78/00/46/296780046.db2.gz ZGARIPJNYBWFGR-OAHLLOKOSA-N 1 0 307.394 2.520 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]Cc3ccccc32)c1 ZINC000430949390 296814089 /nfs/dbraw/zinc/81/40/89/296814089.db2.gz CQMHATLWTFEXSV-UHFFFAOYSA-N 1 0 313.357 2.583 20 5 DFBDRO C[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000273845267 286994464 /nfs/dbraw/zinc/99/44/64/286994464.db2.gz MPAHQHHQUAJFJT-WBMJQRKESA-N 1 0 317.389 2.646 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC12CCOCC2 ZINC000431655668 296844683 /nfs/dbraw/zinc/84/46/83/296844683.db2.gz ZZROKGODIPXRMM-AWEZNQCLSA-N 1 0 320.389 2.900 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432340889 296872829 /nfs/dbraw/zinc/87/28/29/296872829.db2.gz QHPYBMBHKVOFSX-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO COC(=O)c1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000129706749 196069437 /nfs/dbraw/zinc/06/94/37/196069437.db2.gz NHNZQUGCLDDOCD-FZMZJTMJSA-N 1 0 321.377 2.522 20 5 DFBDRO COC(=O)c1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000129706572 196069706 /nfs/dbraw/zinc/06/97/06/196069706.db2.gz NHNZQUGCLDDOCD-RISCZKNCSA-N 1 0 321.377 2.522 20 5 DFBDRO CC[N@H+](C)CCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000054127815 425889391 /nfs/dbraw/zinc/88/93/91/425889391.db2.gz BXJQXTJLVSKZQX-UHFFFAOYSA-N 1 0 302.172 2.721 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000131733304 196194751 /nfs/dbraw/zinc/19/47/51/196194751.db2.gz LBQUOBHONNAUEZ-HNNXBMFYSA-N 1 0 320.389 2.612 20 5 DFBDRO CCC[C@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000132927246 196296976 /nfs/dbraw/zinc/29/69/76/196296976.db2.gz AXDOMGQMHGMAIZ-TZMCWYRMSA-N 1 0 307.394 2.811 20 5 DFBDRO Cc1nc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000133231409 196323297 /nfs/dbraw/zinc/32/32/97/196323297.db2.gz WKTPNNXOBNOZNG-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO CO[C@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000433244079 296902651 /nfs/dbraw/zinc/90/26/51/296902651.db2.gz XPRBUVZFGKBOJO-RDJZCZTQSA-N 1 0 320.389 2.712 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000054460353 425890688 /nfs/dbraw/zinc/89/06/88/425890688.db2.gz PMBIFMFEUFNQMR-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO COCC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000296665968 226104404 /nfs/dbraw/zinc/10/44/04/226104404.db2.gz FRDYLUQBULWGJE-UHFFFAOYSA-N 1 0 318.377 2.766 20 5 DFBDRO C[NH2+][C@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435394006 296959814 /nfs/dbraw/zinc/95/98/14/296959814.db2.gz JQYCFLBVRZNZEJ-LBPRGKRZSA-N 1 0 318.402 2.512 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000299658001 229307525 /nfs/dbraw/zinc/30/75/25/229307525.db2.gz QCEDDIHPNDBOOZ-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CCCC1 ZINC000064021439 425901594 /nfs/dbraw/zinc/90/15/94/425901594.db2.gz QZSVOAZETFDYAQ-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1sc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000068223756 425916780 /nfs/dbraw/zinc/91/67/80/425916780.db2.gz SHRXYQKUAQQTBS-LLVKDONJSA-N 1 0 313.423 2.671 20 5 DFBDRO COC[C@H](C)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102418939 425920668 /nfs/dbraw/zinc/92/06/68/425920668.db2.gz PDWNPRMWDOCONR-NSHDSACASA-N 1 0 320.345 2.988 20 5 DFBDRO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000068830069 425922593 /nfs/dbraw/zinc/92/25/93/425922593.db2.gz OYUNLNHTJGFJAF-ZDUSSCGKSA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155713895 425925032 /nfs/dbraw/zinc/92/50/32/425925032.db2.gz DKBDKCIVKJNZJY-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000027771147 267391243 /nfs/dbraw/zinc/39/12/43/267391243.db2.gz NKJJOIJEZHYFPQ-HBWSCVEGSA-N 1 0 317.389 2.599 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000012348809 425723224 /nfs/dbraw/zinc/72/32/24/425723224.db2.gz DZNZUKGKQIVHSM-AWEZNQCLSA-N 1 0 319.386 2.689 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cs1 ZINC000037648548 425848844 /nfs/dbraw/zinc/84/88/44/425848844.db2.gz AAZIINQVWKCWNH-SECBINFHSA-N 1 0 323.340 2.630 20 5 DFBDRO C[NH+](C)Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000192839163 268051110 /nfs/dbraw/zinc/05/11/10/268051110.db2.gz HMPNEMYHZXQTDV-UHFFFAOYSA-N 1 0 305.359 2.970 20 5 DFBDRO Cc1cc(C(=O)NCCC[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000194386403 268100314 /nfs/dbraw/zinc/10/03/14/268100314.db2.gz YAYZAHVUKOYTJR-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248368250 268165845 /nfs/dbraw/zinc/16/58/45/268165845.db2.gz UZBVSUJKVLRGBB-UHTWSYAYSA-N 1 0 305.378 2.961 20 5 DFBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000048050769 425872777 /nfs/dbraw/zinc/87/27/77/425872777.db2.gz RXBZWKBJTIKPCU-CYBMUJFWSA-N 1 0 320.393 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000264558481 268173066 /nfs/dbraw/zinc/17/30/66/268173066.db2.gz FEXNKAIAUSZXFP-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277585474 268265423 /nfs/dbraw/zinc/26/54/23/268265423.db2.gz RVWMGLMEBXVETL-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000278029169 268266493 /nfs/dbraw/zinc/26/64/93/268266493.db2.gz QWIOOCPLKOGNSD-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292635739 268287127 /nfs/dbraw/zinc/28/71/27/268287127.db2.gz JVVGXGZBKAAYKO-ZDUSSCGKSA-N 1 0 307.394 2.545 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](Cn2cccn2)C(C)C)cc1[N+](=O)[O-] ZINC000297958552 268311494 /nfs/dbraw/zinc/31/14/94/268311494.db2.gz ZEPBSOXCKYCZOW-AWEZNQCLSA-N 1 0 318.377 2.614 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000125765072 425989241 /nfs/dbraw/zinc/98/92/41/425989241.db2.gz XTHHDJDBQVGKGA-KGLIPLIRSA-N 1 0 306.362 2.725 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125874295 425993815 /nfs/dbraw/zinc/99/38/15/425993815.db2.gz WCLUSNCDWPYEPC-GFCCVEGCSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000105293835 425967967 /nfs/dbraw/zinc/96/79/67/425967967.db2.gz TVAZHPLFPNRHBE-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[C@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000337317779 268475124 /nfs/dbraw/zinc/47/51/24/268475124.db2.gz LTBLRPQMGIPEIC-LBPRGKRZSA-N 1 0 317.393 2.782 20 5 DFBDRO CCCC[N@H+](CCOC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000109333515 426030614 /nfs/dbraw/zinc/03/06/14/426030614.db2.gz ZZROBMJWICEQSI-UHFFFAOYSA-N 1 0 324.377 2.710 20 5 DFBDRO CC[N@H+](CCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458432 426065438 /nfs/dbraw/zinc/06/54/38/426065438.db2.gz ZTBHLIBDDPRHCG-UHFFFAOYSA-N 1 0 317.183 2.562 20 5 DFBDRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000075951928 426090243 /nfs/dbraw/zinc/09/02/43/426090243.db2.gz BOJFTQNFLZBCJP-KBPBESRZSA-N 1 0 308.378 2.641 20 5 DFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000163199394 426092027 /nfs/dbraw/zinc/09/20/27/426092027.db2.gz GVMLNFXDBPKSBJ-ILXRZTDVSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076056756 426095924 /nfs/dbraw/zinc/09/59/24/426095924.db2.gz ICLPCPJVHPLOEM-HNNXBMFYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000113198293 426105750 /nfs/dbraw/zinc/10/57/50/426105750.db2.gz UUIUQONTZPTDEL-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000113232014 426109588 /nfs/dbraw/zinc/10/95/88/426109588.db2.gz LOAXZBSFGYUDNC-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO CC(C)(C)[C@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000164019476 426110520 /nfs/dbraw/zinc/11/05/20/426110520.db2.gz JCPMXOKXMWKZSY-GDBMZVCRSA-N 1 0 306.406 2.913 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000076481752 426113815 /nfs/dbraw/zinc/11/38/15/426113815.db2.gz SXANSGQWDKODLL-IUODEOHRSA-N 1 0 319.405 2.706 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000114352595 426132842 /nfs/dbraw/zinc/13/28/42/426132842.db2.gz BWLFZDGCYSXIDC-UHFFFAOYSA-N 1 0 311.407 2.523 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000168304039 426134953 /nfs/dbraw/zinc/13/49/53/426134953.db2.gz HBIUYYGPRKMNNW-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)[C@H](C)CC ZINC000112379322 426075574 /nfs/dbraw/zinc/07/55/74/426075574.db2.gz QGVAGMBEPLCABV-WBMJQRKESA-N 1 0 310.394 2.880 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075538750 426077606 /nfs/dbraw/zinc/07/76/06/426077606.db2.gz FHIQXTVXINACKQ-ZDUSSCGKSA-N 1 0 320.393 2.790 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000127660901 426078950 /nfs/dbraw/zinc/07/89/50/426078950.db2.gz ZSKURLHBCYCLAJ-GFCCVEGCSA-N 1 0 323.418 2.523 20 5 DFBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000127812408 426087127 /nfs/dbraw/zinc/08/71/27/426087127.db2.gz GFOKWCXFRSTXPX-VXGBXAGGSA-N 1 0 305.378 2.562 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)CC(C)C ZINC000114708706 426142114 /nfs/dbraw/zinc/14/21/14/426142114.db2.gz LPNXUUPQQDBOQT-CYBMUJFWSA-N 1 0 311.430 2.805 20 5 DFBDRO CCC([NH3+])(CC)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000130097469 426146691 /nfs/dbraw/zinc/14/66/91/426146691.db2.gz DHMCAONYSLFRDL-UHFFFAOYSA-N 1 0 317.187 2.682 20 5 DFBDRO CN(C)C(=O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000171049021 426166738 /nfs/dbraw/zinc/16/67/38/426166738.db2.gz IHDIUMUJYJVZKV-UHFFFAOYSA-N 1 0 319.386 2.501 20 5 DFBDRO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000078664834 426180127 /nfs/dbraw/zinc/18/01/27/426180127.db2.gz FMXIXQAGGHODPV-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000116128395 426180449 /nfs/dbraw/zinc/18/04/49/426180449.db2.gz CWJQVRGTCLHMRN-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO COCCC[N@H+](CCOC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116273656 426185600 /nfs/dbraw/zinc/18/56/00/426185600.db2.gz OHGXMNUHBHRWHH-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081097043 426219884 /nfs/dbraw/zinc/21/98/84/426219884.db2.gz SLOOEYZOKYDMDF-DOMZBBRYSA-N 1 0 309.385 2.896 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000081551933 426224867 /nfs/dbraw/zinc/22/48/67/426224867.db2.gz STDXKVZYLHYBSH-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173331040 426238956 /nfs/dbraw/zinc/23/89/56/426238956.db2.gz KVHDRVKZVBMEMZ-CYBMUJFWSA-N 1 0 305.378 2.648 20 5 DFBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118850043 426248172 /nfs/dbraw/zinc/24/81/72/426248172.db2.gz NLZKOJYJHFKRMB-JMSVASOKSA-N 1 0 317.389 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3F)C2)nc1 ZINC000118866663 426249594 /nfs/dbraw/zinc/24/95/94/426249594.db2.gz QFVRCKRPKLSVGP-ZDUSSCGKSA-N 1 0 316.336 2.815 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150779804 426261509 /nfs/dbraw/zinc/26/15/09/426261509.db2.gz TVXXDJUVXVRXFN-AWEZNQCLSA-N 1 0 319.405 2.521 20 5 DFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)(C)C ZINC000117338449 426211414 /nfs/dbraw/zinc/21/14/14/426211414.db2.gz LBHXUSXAXXZAGK-UHFFFAOYSA-N 1 0 321.377 2.871 20 5 DFBDRO C[C@H](F)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000339488731 268825482 /nfs/dbraw/zinc/82/54/82/268825482.db2.gz FARVFTBRBPBFEH-NSHDSACASA-N 1 0 306.341 2.833 20 5 DFBDRO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000089912501 426318739 /nfs/dbraw/zinc/31/87/39/426318739.db2.gz IOPUWZMOIWDRQT-MCIONIFRSA-N 1 0 319.405 2.515 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000175089136 426279512 /nfs/dbraw/zinc/27/95/12/426279512.db2.gz ASQMYAVBUPXIJP-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000175162962 426283733 /nfs/dbraw/zinc/28/37/33/426283733.db2.gz SXEBXVZNCQTYAM-OAHLLOKOSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC1 ZINC000153617036 426395852 /nfs/dbraw/zinc/39/58/52/426395852.db2.gz MEDSSRBSLNMXEW-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CC(C)COC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153757945 426404074 /nfs/dbraw/zinc/40/40/74/426404074.db2.gz KZHUCJVHTRKAJV-QGZVFWFLSA-N 1 0 322.405 2.765 20 5 DFBDRO COc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176200354 426359970 /nfs/dbraw/zinc/35/99/70/426359970.db2.gz JHYJQAKYEKVRON-MRXNPFEDSA-N 1 0 316.361 2.541 20 5 DFBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244082 426363562 /nfs/dbraw/zinc/36/35/62/426363562.db2.gz GQPXOFJJEDQRBC-QGZVFWFLSA-N 1 0 314.389 2.845 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000153770265 426405730 /nfs/dbraw/zinc/40/57/30/426405730.db2.gz OLQYXIPWHKTJSG-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153045768 426367819 /nfs/dbraw/zinc/36/78/19/426367819.db2.gz MSVUXPPZPIFZSF-HIFRSBDPSA-N 1 0 312.373 2.919 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153146290 426373058 /nfs/dbraw/zinc/37/30/58/426373058.db2.gz OHFQWOLSTSQCFS-LLVKDONJSA-N 1 0 304.350 2.578 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000153209488 426376357 /nfs/dbraw/zinc/37/63/57/426376357.db2.gz CZKSWXFZPYNAJW-OCCSQVGLSA-N 1 0 307.394 2.738 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000153237710 426377438 /nfs/dbraw/zinc/37/74/38/426377438.db2.gz IIBCJXQRWPYZKD-CYBMUJFWSA-N 1 0 318.377 2.544 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000122621735 426385214 /nfs/dbraw/zinc/38/52/14/426385214.db2.gz BPIAGFGGHAYCLW-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@H](C)CC[C@H]1C ZINC000123350222 426428646 /nfs/dbraw/zinc/42/86/46/426428646.db2.gz BEPIJYQIZMEMLF-VXGBXAGGSA-N 1 0 321.377 2.805 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000177040112 426438063 /nfs/dbraw/zinc/43/80/63/426438063.db2.gz OTVRGUICCSEVFC-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO COCCO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766456 269009242 /nfs/dbraw/zinc/00/92/42/269009242.db2.gz IIAIGTAUNFVLNG-KBPBESRZSA-N 1 0 308.378 2.783 20 5 DFBDRO Cc1cnc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000340778025 269011482 /nfs/dbraw/zinc/01/14/82/269011482.db2.gz MYRXWTHQPYWORY-UHFFFAOYSA-N 1 0 323.356 2.626 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341065375 269037548 /nfs/dbraw/zinc/03/75/48/269037548.db2.gz URQINGBWYXMLRS-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H]1C[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000341419249 269074296 /nfs/dbraw/zinc/07/42/96/269074296.db2.gz OPSUIVWUNLFPNG-RYUDHWBXSA-N 1 0 311.357 2.645 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000097257902 426461491 /nfs/dbraw/zinc/46/14/91/426461491.db2.gz WVCUVWWLMWTWAD-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000097257783 426462190 /nfs/dbraw/zinc/46/21/90/426462190.db2.gz HYFPKQLIYRYAHC-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO C[N@@H+]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000098077656 426478391 /nfs/dbraw/zinc/47/83/91/426478391.db2.gz DVMGWYCSCGNJLJ-UHFFFAOYSA-N 1 0 319.405 2.670 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000177486951 426488862 /nfs/dbraw/zinc/48/88/62/426488862.db2.gz BIXRDIIWEVATEQ-SXKCSBRWSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000264187232 426512271 /nfs/dbraw/zinc/51/22/71/426512271.db2.gz BWNIKQKMKBFKMG-UHFFFAOYSA-N 1 0 319.405 2.960 20 5 DFBDRO Cc1c(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000177740031 426514694 /nfs/dbraw/zinc/51/46/94/426514694.db2.gz OBVVITJXGKODNH-YHWZYXNKSA-N 1 0 303.362 2.762 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272409298 426519562 /nfs/dbraw/zinc/51/95/62/426519562.db2.gz KRLRNGNDAMPDQY-PSASIEDQSA-N 1 0 316.304 2.745 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272409300 426519667 /nfs/dbraw/zinc/51/96/67/426519667.db2.gz KRLRNGNDAMPDQY-SCZZXKLOSA-N 1 0 316.304 2.745 20 5 DFBDRO Cc1nc(C[C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195517795 426532447 /nfs/dbraw/zinc/53/24/47/426532447.db2.gz AIJXLPWZAYRCIV-CQSZACIVSA-N 1 0 316.361 2.741 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177874952 426532797 /nfs/dbraw/zinc/53/27/97/426532797.db2.gz QBKPBNOWQWXUGW-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000272472368 426532955 /nfs/dbraw/zinc/53/29/55/426532955.db2.gz IKAIIGVTPUDKOX-LBPRGKRZSA-N 1 0 308.378 2.847 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000280271713 426535245 /nfs/dbraw/zinc/53/52/45/426535245.db2.gz CUMRQLIJNZXWHN-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO COc1cc(C[NH2+]CC(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272509342 426543015 /nfs/dbraw/zinc/54/30/15/426543015.db2.gz WSZNXINKILDRCK-UHFFFAOYSA-N 1 0 318.320 2.993 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272534436 426548800 /nfs/dbraw/zinc/54/88/00/426548800.db2.gz BLDBADNZQHSXAK-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000177980092 426549655 /nfs/dbraw/zinc/54/96/55/426549655.db2.gz CVYQPZKQVQCPDO-CXAGYDPISA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177488288 426489210 /nfs/dbraw/zinc/48/92/10/426489210.db2.gz KSMKTBBFEUFFAV-OLZOCXBDSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177496687 426489542 /nfs/dbraw/zinc/48/95/42/426489542.db2.gz CSUVFEBVZMSYAR-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000194678040 426491139 /nfs/dbraw/zinc/49/11/39/426491139.db2.gz BIHNPJVGRGLOLV-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177532000 426493114 /nfs/dbraw/zinc/49/31/14/426493114.db2.gz UFIXTWZPJJFSHL-BBRMVZONSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000194819141 426493390 /nfs/dbraw/zinc/49/33/90/426493390.db2.gz CCDAUOQYYDOVLX-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(Cl)c1[N+](=O)[O-])C2 ZINC000177677929 426504593 /nfs/dbraw/zinc/50/45/93/426504593.db2.gz FOOBZKKDNNAPIR-WDEREUQCSA-N 1 0 323.780 2.557 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000264668258 426575231 /nfs/dbraw/zinc/57/52/31/426575231.db2.gz OHEIAGZBAWSSPD-CQSZACIVSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178156515 426578778 /nfs/dbraw/zinc/57/87/78/426578778.db2.gz LQZSJBWZLQXZSS-OAHLLOKOSA-N 1 0 321.402 2.913 20 5 DFBDRO C[C@@H](CC[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000222087318 426582183 /nfs/dbraw/zinc/58/21/83/426582183.db2.gz ISKGULFODFZWKP-LBPRGKRZSA-N 1 0 323.393 2.988 20 5 DFBDRO CCC[C@@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178213341 426588719 /nfs/dbraw/zinc/58/87/19/426588719.db2.gz MYRPXVNNXTZUDX-OAHLLOKOSA-N 1 0 305.378 2.552 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226776574 426621482 /nfs/dbraw/zinc/62/14/82/426621482.db2.gz SKYGIFFZALXYNK-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@@H](NC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000178401247 426621491 /nfs/dbraw/zinc/62/14/91/426621491.db2.gz BBYFETMUWHJYNP-QWHCGFSZSA-N 1 0 319.405 2.798 20 5 DFBDRO [NH3+][C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178327967 426606530 /nfs/dbraw/zinc/60/65/30/426606530.db2.gz VYBAWFKRBSIDRY-AWEZNQCLSA-N 1 0 305.381 2.951 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCOC1 ZINC000178361281 426614416 /nfs/dbraw/zinc/61/44/16/426614416.db2.gz IDKQAGUCMBUPOP-CYBMUJFWSA-N 1 0 308.378 2.850 20 5 DFBDRO CC1=CCCN(C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)C1 ZINC000280632564 426618681 /nfs/dbraw/zinc/61/86/81/426618681.db2.gz HISHXZDIEMKCMC-UHFFFAOYSA-N 1 0 312.329 2.573 20 5 DFBDRO CCc1nn(C)c(Nc2ccc(CC[NH+](C)C)cc2)c1[N+](=O)[O-] ZINC000288959477 426557893 /nfs/dbraw/zinc/55/78/93/426557893.db2.gz TUDOTPVYBZGBAK-UHFFFAOYSA-N 1 0 317.393 2.738 20 5 DFBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000186598331 426560886 /nfs/dbraw/zinc/56/08/86/426560886.db2.gz ASZCHIGAPHXIEH-NVXWUHKLSA-N 1 0 322.405 2.559 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(=O)OC)CCC1 ZINC000272578131 426562241 /nfs/dbraw/zinc/56/22/41/426562241.db2.gz USRWGUKRMNLDON-CQSZACIVSA-N 1 0 306.362 2.806 20 5 DFBDRO CCC(=O)c1ccc(NCC2=CC[N@H+](C)CC2)c([N+](=O)[O-])c1 ZINC000280719880 426642006 /nfs/dbraw/zinc/64/20/06/426642006.db2.gz MAQBGBDHFWMTAX-UHFFFAOYSA-N 1 0 303.362 2.861 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273362296 426651002 /nfs/dbraw/zinc/65/10/02/426651002.db2.gz DFQZUMGBBFUHDK-SFHVURJKSA-N 1 0 314.385 2.987 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273463328 426668887 /nfs/dbraw/zinc/66/88/87/426668887.db2.gz NIHSULNRRKHIPL-NSHDSACASA-N 1 0 324.356 2.539 20 5 DFBDRO C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178656085 426670569 /nfs/dbraw/zinc/67/05/69/426670569.db2.gz SHQCISWDZKIQAT-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178672424 426672675 /nfs/dbraw/zinc/67/26/75/426672675.db2.gz JLKNWDWDYVEYFD-IUODEOHRSA-N 1 0 307.394 2.796 20 5 DFBDRO O=C(NCCC[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273486646 426673268 /nfs/dbraw/zinc/67/32/68/426673268.db2.gz ROEAOBIXQKMQEE-UHFFFAOYSA-N 1 0 324.356 2.731 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCc2cn[nH]c2)c2cc([N+](=O)[O-])ccc21 ZINC000289851238 426674277 /nfs/dbraw/zinc/67/42/77/426674277.db2.gz QLQGVVDHTRZEMQ-OAHLLOKOSA-N 1 0 300.362 2.873 20 5 DFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178692098 426676941 /nfs/dbraw/zinc/67/69/41/426676941.db2.gz KMIDKJYSDFKBDR-RWMBFGLXSA-N 1 0 307.394 2.857 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236697930 426677118 /nfs/dbraw/zinc/67/71/18/426677118.db2.gz PCLOZGAMPIQMBP-AWEZNQCLSA-N 1 0 313.785 2.742 20 5 DFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178690299 426677322 /nfs/dbraw/zinc/67/73/22/426677322.db2.gz QZBZEKAAYJURKI-OLZOCXBDSA-N 1 0 307.394 2.859 20 5 DFBDRO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000280886313 426677533 /nfs/dbraw/zinc/67/75/33/426677533.db2.gz FBLIZHFHHDIOKM-CYBMUJFWSA-N 1 0 321.377 2.715 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000265754680 426683516 /nfs/dbraw/zinc/68/35/16/426683516.db2.gz IRUNQYWHQDCHRN-OAHLLOKOSA-N 1 0 322.386 2.662 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280908530 426683583 /nfs/dbraw/zinc/68/35/83/426683583.db2.gz CVKJKSXHEMSLKW-BNOWGMLFSA-N 1 0 306.362 2.977 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2ccccc2)[NH+]2CCCC2)nc1 ZINC000273568337 426688859 /nfs/dbraw/zinc/68/88/59/426688859.db2.gz CTXRCPVYLSDLDG-HNNXBMFYSA-N 1 0 313.361 2.634 20 5 DFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCC[NH2+]C1CCCCCC1 ZINC000238105224 426708624 /nfs/dbraw/zinc/70/86/24/426708624.db2.gz SRWSHBXWXYVRAN-UHFFFAOYSA-N 1 0 319.405 2.566 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000281491354 426720721 /nfs/dbraw/zinc/72/07/21/426720721.db2.gz GIKKOBSHCZPKCQ-OLZOCXBDSA-N 1 0 305.378 2.565 20 5 DFBDRO COc1ncccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290131388 426699317 /nfs/dbraw/zinc/69/93/17/426699317.db2.gz KAAYMXQRTCWMKP-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274433859 426766988 /nfs/dbraw/zinc/76/69/88/426766988.db2.gz GJCQKYCBOMJLDC-AWEZNQCLSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274451174 426771655 /nfs/dbraw/zinc/77/16/55/426771655.db2.gz IXUBRHFWAQWFHG-LLVKDONJSA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000245835432 426774256 /nfs/dbraw/zinc/77/42/56/426774256.db2.gz CKSAYJSBICGIFD-ZDUSSCGKSA-N 1 0 312.373 2.736 20 5 DFBDRO COc1ncccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290280674 426731890 /nfs/dbraw/zinc/73/18/90/426731890.db2.gz XDELCTKDXMRMCH-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000245690273 426764211 /nfs/dbraw/zinc/76/42/11/426764211.db2.gz LOFFZIVYFXCFCG-PWSUYJOCSA-N 1 0 323.780 2.557 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266714339 426764765 /nfs/dbraw/zinc/76/47/65/426764765.db2.gz GCRYXNWEORJHBZ-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO O=[N+]([O-])c1cc(CN[C@]2(CO)CCCc3ccccc32)cs1 ZINC000281785923 426765401 /nfs/dbraw/zinc/76/54/01/426765401.db2.gz UAWZZRQGHSRSLG-INIZCTEOSA-N 1 0 318.398 2.970 20 5 DFBDRO C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595583 426801340 /nfs/dbraw/zinc/80/13/40/426801340.db2.gz VPRBYZGIFIOTLB-BIYNOUFRSA-N 1 0 303.406 2.880 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266951729 426802267 /nfs/dbraw/zinc/80/22/67/426802267.db2.gz ULIYZOBBYMDWSQ-LBPRGKRZSA-N 1 0 316.361 2.706 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000188968610 426805846 /nfs/dbraw/zinc/80/58/46/426805846.db2.gz YWMBMHUQOCHEEJ-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO Cc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179643435 426809976 /nfs/dbraw/zinc/80/99/76/426809976.db2.gz FZZTZLLZDPTIKF-MRXNPFEDSA-N 1 0 303.406 2.963 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274660310 426813156 /nfs/dbraw/zinc/81/31/56/426813156.db2.gz FJJGMFGNVJKOCJ-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274660312 426813432 /nfs/dbraw/zinc/81/34/32/426813432.db2.gz FJJGMFGNVJKOCJ-VXGBXAGGSA-N 1 0 307.394 2.939 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)c(F)c1 ZINC000267032788 426813529 /nfs/dbraw/zinc/81/35/29/426813529.db2.gz NCSHJRHODCEPLW-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1cc(NCCCC(=O)N(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290664811 426815682 /nfs/dbraw/zinc/81/56/82/426815682.db2.gz QLRUMKLDYUOQMU-UHFFFAOYSA-N 1 0 316.361 2.732 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000274713817 426821675 /nfs/dbraw/zinc/82/16/75/426821675.db2.gz VRNBOASZYRCPHO-LBPRGKRZSA-N 1 0 307.394 2.720 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000290727586 426827178 /nfs/dbraw/zinc/82/71/78/426827178.db2.gz YIEGIXOYHUVHNL-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO C[NH+](C)CCCOC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000267167691 426834969 /nfs/dbraw/zinc/83/49/69/426834969.db2.gz HKNNZYBQBNXUQH-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO C[C@@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000290834905 426849103 /nfs/dbraw/zinc/84/91/03/426849103.db2.gz IHGSAXQCZFSWIN-QMMMGPOBSA-N 1 0 306.193 2.941 20 5 DFBDRO COCCO[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000188809504 426790952 /nfs/dbraw/zinc/79/09/52/426790952.db2.gz LBLHOPLNFFKSNX-HNNXBMFYSA-N 1 0 322.405 2.956 20 5 DFBDRO CC1(C)OCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000295204600 426860428 /nfs/dbraw/zinc/86/04/28/426860428.db2.gz LHIGCDOJFOSQPH-AWEZNQCLSA-N 1 0 317.345 2.907 20 5 DFBDRO C[NH+](C)[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccco1 ZINC000275455676 426865820 /nfs/dbraw/zinc/86/58/20/426865820.db2.gz YEDOZKXVDBOUME-AWEZNQCLSA-N 1 0 316.361 2.871 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000295220480 426866572 /nfs/dbraw/zinc/86/65/72/426866572.db2.gz QYYHIQOPJFNJOI-CYBMUJFWSA-N 1 0 306.362 2.795 20 5 DFBDRO CN(C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000275632850 426883054 /nfs/dbraw/zinc/88/30/54/426883054.db2.gz BJBHKVMVGZPAAO-INIZCTEOSA-N 1 0 317.433 2.990 20 5 DFBDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000268022679 426892874 /nfs/dbraw/zinc/89/28/74/426892874.db2.gz JTBLMHBMPVIICO-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@H](O)CC(F)(F)F)C2CC2)c1 ZINC000189577757 426895316 /nfs/dbraw/zinc/89/53/16/426895316.db2.gz NEJFGDZXWACOKJ-CYBMUJFWSA-N 1 0 318.295 2.873 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247119964 426904820 /nfs/dbraw/zinc/90/48/20/426904820.db2.gz IZVDATXUXDQENM-JQWIXIFHSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000291524949 426904960 /nfs/dbraw/zinc/90/49/60/426904960.db2.gz MSWJYEGSBLAYKC-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO CSc1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000275976527 426959906 /nfs/dbraw/zinc/95/99/06/426959906.db2.gz MGDBCJOYHIDMOQ-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])cc1F ZINC000268253410 426966249 /nfs/dbraw/zinc/96/62/49/426966249.db2.gz ZVVKDCGYWUBQEX-GFCCVEGCSA-N 1 0 323.368 2.807 20 5 DFBDRO CCN(Cc1ccc(C)c([N+](=O)[O-])c1)C[C@H](O)C(F)(F)F ZINC000189871012 426970355 /nfs/dbraw/zinc/97/03/55/426970355.db2.gz KTPOILCFWGWFRT-LBPRGKRZSA-N 1 0 306.284 2.648 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC000247984156 426972492 /nfs/dbraw/zinc/97/24/92/426972492.db2.gz KERUNMRQUQEJGG-MRXNPFEDSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1[NH+](C)C ZINC000268285531 426978509 /nfs/dbraw/zinc/97/85/09/426978509.db2.gz XMABGYOLPFPZFZ-MEDUHNTESA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C[NH+](C)C ZINC000291768200 426980297 /nfs/dbraw/zinc/98/02/97/426980297.db2.gz HDLHAABKGCXHHM-VIFPVBQESA-N 1 0 303.309 2.806 20 5 DFBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248374515 426992315 /nfs/dbraw/zinc/99/23/15/426992315.db2.gz REFDPUZOAXQQII-QLFBSQMISA-N 1 0 322.405 2.845 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1c[nH]c2nccnc12 ZINC000291637341 426934960 /nfs/dbraw/zinc/93/49/60/426934960.db2.gz SUYCUROIWHLQGB-UHFFFAOYSA-N 1 0 311.345 2.541 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000283041720 426935905 /nfs/dbraw/zinc/93/59/05/426935905.db2.gz IJQNBPBVZBETAU-NXEZZACHSA-N 1 0 314.769 2.926 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000283041721 426936110 /nfs/dbraw/zinc/93/61/10/426936110.db2.gz IJQNBPBVZBETAU-UWVGGRQHSA-N 1 0 314.769 2.926 20 5 DFBDRO CCOCCOCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000190264097 427057988 /nfs/dbraw/zinc/05/79/88/427057988.db2.gz GKCISPJTXCVFQF-AWEZNQCLSA-N 1 0 310.394 2.949 20 5 DFBDRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295543459 427000101 /nfs/dbraw/zinc/00/01/01/427000101.db2.gz KZOYOBFBXDWJQA-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1F ZINC000283399480 427008385 /nfs/dbraw/zinc/00/83/85/427008385.db2.gz DSYWDEKAEPMAGJ-CQSZACIVSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C3CCC3)CC1)CCN2 ZINC000295951492 427025808 /nfs/dbraw/zinc/02/58/08/427025808.db2.gz ISAIUIHVNPBSPR-UHFFFAOYSA-N 1 0 316.405 2.992 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248667312 427029333 /nfs/dbraw/zinc/02/93/33/427029333.db2.gz PIDOOHNEWWNMIN-NEPJUHHUSA-N 1 0 309.414 2.652 20 5 DFBDRO Nc1ccc(NCC[N@@H+]2CCc3ccccc3C2)c([N+](=O)[O-])c1 ZINC000283577403 427038528 /nfs/dbraw/zinc/03/85/28/427038528.db2.gz OQBCXHLSDDIACC-UHFFFAOYSA-N 1 0 312.373 2.647 20 5 DFBDRO CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296007066 427044757 /nfs/dbraw/zinc/04/47/57/427044757.db2.gz MKUUHRWERGTRJY-OAHLLOKOSA-N 1 0 308.378 2.721 20 5 DFBDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248829439 427047882 /nfs/dbraw/zinc/04/78/82/427047882.db2.gz HAYQUSVDDBGDPY-PVUWLOKVSA-N 1 0 320.389 2.756 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000276376445 427051119 /nfs/dbraw/zinc/05/11/19/427051119.db2.gz FGJROLVQXORJLV-ZDUSSCGKSA-N 1 0 318.377 2.524 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000276439050 427066982 /nfs/dbraw/zinc/06/69/82/427066982.db2.gz KZMNYHRMHWKYOS-UHFFFAOYSA-N 1 0 307.394 2.789 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000276436020 427068452 /nfs/dbraw/zinc/06/84/52/427068452.db2.gz QPGGMAFKUPJAGP-JHJVBQTASA-N 1 0 306.362 2.787 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000283786143 427074949 /nfs/dbraw/zinc/07/49/49/427074949.db2.gz RFOGYUQYDMLTSN-AWEZNQCLSA-N 1 0 319.405 2.966 20 5 DFBDRO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000296167326 427097684 /nfs/dbraw/zinc/09/76/84/427097684.db2.gz ZDMFBDOFNDLIGZ-FGWVZKOKSA-N 1 0 309.341 2.780 20 5 DFBDRO C[C@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283922132 427098715 /nfs/dbraw/zinc/09/87/15/427098715.db2.gz DSHGBYIGTCMRPS-LBPRGKRZSA-N 1 0 306.410 2.702 20 5 DFBDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000276557558 427098798 /nfs/dbraw/zinc/09/87/98/427098798.db2.gz SJVLWYTYWOZQTG-INIZCTEOSA-N 1 0 317.389 2.570 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000283954182 427105450 /nfs/dbraw/zinc/10/54/50/427105450.db2.gz BROGMTCHQDJGON-INIZCTEOSA-N 1 0 320.389 2.521 20 5 DFBDRO COC[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000284023341 427118662 /nfs/dbraw/zinc/11/86/62/427118662.db2.gz KXKNCCOWLATTBL-JTQLQIEISA-N 1 0 300.305 2.731 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cnn1C ZINC000284040454 427124672 /nfs/dbraw/zinc/12/46/72/427124672.db2.gz JTNSJPONQCGSGC-NXEZZACHSA-N 1 0 303.366 2.631 20 5 DFBDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284047975 427125238 /nfs/dbraw/zinc/12/52/38/427125238.db2.gz KEEPUTZZJNLLAS-GFCCVEGCSA-N 1 0 307.394 2.770 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000292198187 427125528 /nfs/dbraw/zinc/12/55/28/427125528.db2.gz GMBFDBRTYYYCPY-CYBMUJFWSA-N 1 0 319.405 2.914 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268826796 427131593 /nfs/dbraw/zinc/13/15/93/427131593.db2.gz LJMLUYSHMHGGTO-GXTWGEPZSA-N 1 0 305.378 2.524 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000268871960 427138173 /nfs/dbraw/zinc/13/81/73/427138173.db2.gz UPXHWHOECCJUAG-GXFFZTMASA-N 1 0 310.785 2.564 20 5 DFBDRO COCC[N@@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751424 427138994 /nfs/dbraw/zinc/13/89/94/427138994.db2.gz NQGSZTYMFSSKQH-CABCVRRESA-N 1 0 321.421 2.617 20 5 DFBDRO Cc1cc(NC[C@]2(O)CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277214461 427139158 /nfs/dbraw/zinc/13/91/58/427139158.db2.gz KVMMRVXQHPGXRQ-OAHLLOKOSA-N 1 0 319.386 2.731 20 5 DFBDRO C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000087390098 270976597 /nfs/dbraw/zinc/97/65/97/270976597.db2.gz QJWCZEUSICBNRS-CYBMUJFWSA-N 1 0 321.421 2.620 20 5 DFBDRO COc1ccc(CN2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277272265 427145210 /nfs/dbraw/zinc/14/52/10/427145210.db2.gz RSCPFHVTBVDEQB-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269276084 427158599 /nfs/dbraw/zinc/15/85/99/427158599.db2.gz OSEHLPDZIDNFAT-BXUZGUMPSA-N 1 0 319.405 2.702 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152757473 271046242 /nfs/dbraw/zinc/04/62/42/271046242.db2.gz MNAHGXQJOMLCHC-JKSUJKDBSA-N 1 0 319.405 2.551 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654642 271276610 /nfs/dbraw/zinc/27/66/10/271276610.db2.gz QFHMADIIIGOCEK-RYUDHWBXSA-N 1 0 323.780 2.605 20 5 DFBDRO C[N@H+](CCC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283171902 271335880 /nfs/dbraw/zinc/33/58/80/271335880.db2.gz PNDVNLMNAOBZAT-UHFFFAOYSA-N 1 0 312.341 2.898 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)F ZINC000296288573 271351709 /nfs/dbraw/zinc/35/17/09/271351709.db2.gz FIHZCNYFGIDJJV-IHRRRGAJSA-N 1 0 314.332 2.966 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297137321 271356428 /nfs/dbraw/zinc/35/64/28/271356428.db2.gz PYPNANQBIKIHKJ-OLZOCXBDSA-N 1 0 322.409 2.684 20 5 DFBDRO COCc1noc([C@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038328 427187378 /nfs/dbraw/zinc/18/73/78/427187378.db2.gz CJVBKCNFWYOJEC-ZJUUUORDSA-N 1 0 306.322 2.536 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000338222044 427198774 /nfs/dbraw/zinc/19/87/74/427198774.db2.gz RAJFADQNANDEJP-ZFWWWQNUSA-N 1 0 304.390 2.811 20 5 DFBDRO COc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000293111177 427212740 /nfs/dbraw/zinc/21/27/40/427212740.db2.gz QFEIRUADXPAUTI-LBPRGKRZSA-N 1 0 323.368 2.665 20 5 DFBDRO CC(C)(C)OC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269689009 427252006 /nfs/dbraw/zinc/25/20/06/427252006.db2.gz UJBMDSIBDWNGLH-MRXNPFEDSA-N 1 0 322.405 2.908 20 5 DFBDRO CC(C)(C)OC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269689008 427253146 /nfs/dbraw/zinc/25/31/46/427253146.db2.gz UJBMDSIBDWNGLH-INIZCTEOSA-N 1 0 322.405 2.908 20 5 DFBDRO COCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183359740 427253718 /nfs/dbraw/zinc/25/37/18/427253718.db2.gz OMYZLSUUVCQKCY-UHFFFAOYSA-N 1 0 322.405 2.921 20 5 DFBDRO CCC[C@]1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000285590138 427281754 /nfs/dbraw/zinc/28/17/54/427281754.db2.gz OXVGRHQVKIDHJD-INIZCTEOSA-N 1 0 324.377 2.531 20 5 DFBDRO CC(C)(C)[C@@H](CCO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000183677377 427316965 /nfs/dbraw/zinc/31/69/65/427316965.db2.gz QSGMOEBEBPJPBP-OAHLLOKOSA-N 1 0 310.394 2.750 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@@H+](C)C(C)C ZINC000191407573 427344524 /nfs/dbraw/zinc/34/45/24/427344524.db2.gz HQKDELFHEBUTSA-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO Cc1nc(NCCCCC[NH+]2CCCCC2)ncc1[N+](=O)[O-] ZINC000297168281 427346928 /nfs/dbraw/zinc/34/69/28/427346928.db2.gz PHUVINDEWYAXCH-UHFFFAOYSA-N 1 0 307.398 2.761 20 5 DFBDRO CC[N@H+](C)CCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000277706372 427290846 /nfs/dbraw/zinc/29/08/46/427290846.db2.gz LLWSPYLPYJOPEZ-UHFFFAOYSA-N 1 0 323.396 2.775 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000330683642 427291215 /nfs/dbraw/zinc/29/12/15/427291215.db2.gz IYZCTVNEPQVROW-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000277707339 427291924 /nfs/dbraw/zinc/29/19/24/427291924.db2.gz OQIHXGDVCPWBLZ-NWDGAFQWSA-N 1 0 323.368 2.645 20 5 DFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330687267 427294079 /nfs/dbraw/zinc/29/40/79/427294079.db2.gz BTEQWVKANHJTEG-LBPRGKRZSA-N 1 0 322.409 2.553 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000271004663 427370314 /nfs/dbraw/zinc/37/03/14/427370314.db2.gz KWGFWYKVXVBNER-SJORKVTESA-N 1 0 313.357 2.860 20 5 DFBDRO Cc1c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000271027435 427379301 /nfs/dbraw/zinc/37/93/01/427379301.db2.gz OUATXAOEODWURA-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000297280594 427384007 /nfs/dbraw/zinc/38/40/07/427384007.db2.gz XHIGUKQWBQHDMJ-ABAIWWIYSA-N 1 0 317.393 2.638 20 5 DFBDRO CCNC(=O)[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000293629235 427387563 /nfs/dbraw/zinc/38/75/63/427387563.db2.gz LGILGKZMESCXPO-BBRMVZONSA-N 1 0 321.421 2.666 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000285992132 427395309 /nfs/dbraw/zinc/39/53/09/427395309.db2.gz CTYKWZYQKKSHSW-UHFFFAOYSA-N 1 0 309.395 2.742 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000271072783 427395897 /nfs/dbraw/zinc/39/58/97/427395897.db2.gz FSNJQGYFRPSAAI-STQMWFEESA-N 1 0 318.377 2.929 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331299142 427397079 /nfs/dbraw/zinc/39/70/79/427397079.db2.gz VIMQPINTSTVKDV-ZOWXZIJZSA-N 1 0 308.378 2.585 20 5 DFBDRO CCc1nnc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)[nH]1 ZINC000191688557 427406947 /nfs/dbraw/zinc/40/69/47/427406947.db2.gz DFPUKINVRMLXLQ-UHFFFAOYSA-N 1 0 315.377 2.655 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1CO ZINC000191724961 427411707 /nfs/dbraw/zinc/41/17/07/427411707.db2.gz OGRWJAIURZQBTD-OCCSQVGLSA-N 1 0 316.357 2.915 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000331139759 427354303 /nfs/dbraw/zinc/35/43/03/427354303.db2.gz FCQYFXGRSQFPLW-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000262305060 427355654 /nfs/dbraw/zinc/35/56/54/427355654.db2.gz RETZOSVCGJEJMD-YDHLFZDLSA-N 1 0 305.378 2.680 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000331170450 427362876 /nfs/dbraw/zinc/36/28/76/427362876.db2.gz NYTLYDYCWMAMJZ-WOSRLPQWSA-N 1 0 322.405 2.975 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000277943727 427366444 /nfs/dbraw/zinc/36/64/44/427366444.db2.gz OGEXUGLCUUUGAG-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331195227 427367590 /nfs/dbraw/zinc/36/75/90/427367590.db2.gz XVWUMIAZKOBVAM-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2nccs2)c([N+](=O)[O-])c1 ZINC000184402084 427450793 /nfs/dbraw/zinc/45/07/93/427450793.db2.gz FZMXKMNYCTXIQX-JTQLQIEISA-N 1 0 323.374 2.790 20 5 DFBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278793190 427454420 /nfs/dbraw/zinc/45/44/20/427454420.db2.gz QJGOZJUDEDRCNW-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000331607203 427456355 /nfs/dbraw/zinc/45/63/55/427456355.db2.gz JTAVQALHOOZOSG-UHFFFAOYSA-N 1 0 323.393 2.914 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286248256 427465882 /nfs/dbraw/zinc/46/58/82/427465882.db2.gz VBBACJNCNBHLME-SECBINFHSA-N 1 0 309.395 2.742 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000338745971 427466922 /nfs/dbraw/zinc/46/69/22/427466922.db2.gz PBICTVOUYSFBQQ-KRWDZBQOSA-N 1 0 317.389 2.720 20 5 DFBDRO CC1CC[NH+](CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000293869335 427472164 /nfs/dbraw/zinc/47/21/64/427472164.db2.gz DVNZLNHQDJPRMZ-UHFFFAOYSA-N 1 0 319.405 2.678 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338776943 427482088 /nfs/dbraw/zinc/48/20/88/427482088.db2.gz WIOVZJDKTBMIQC-SWLSCSKDSA-N 1 0 319.405 2.563 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1CC ZINC000338669680 427431993 /nfs/dbraw/zinc/43/19/93/427431993.db2.gz ZXJJEOPRYIZQLQ-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO CC[N@@H+]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278528207 427443780 /nfs/dbraw/zinc/44/37/80/427443780.db2.gz ZWUHJDRKVLEARR-UHFFFAOYSA-N 1 0 318.299 2.541 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCS2)n1 ZINC000331571275 427447179 /nfs/dbraw/zinc/44/71/79/427447179.db2.gz IQYINFFFHWXEAR-JHJVBQTASA-N 1 0 310.423 2.760 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000271323130 427496902 /nfs/dbraw/zinc/49/69/02/427496902.db2.gz OTESTNSVNXYBMO-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184611139 427502389 /nfs/dbraw/zinc/50/23/89/427502389.db2.gz ITNFONDQAWAURI-DOMZBBRYSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000286364060 427504590 /nfs/dbraw/zinc/50/45/90/427504590.db2.gz GAIGWLOAPXFIKH-NWDGAFQWSA-N 1 0 318.295 2.588 20 5 DFBDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271419436 427529433 /nfs/dbraw/zinc/52/94/33/427529433.db2.gz BQGVDSBPBALIMV-LRDDRELGSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@@]12CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298206839 427533762 /nfs/dbraw/zinc/53/37/62/427533762.db2.gz DAZSIXIPJVQXCA-UONOGXRCSA-N 1 0 312.316 2.951 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000263660128 427533870 /nfs/dbraw/zinc/53/38/70/427533870.db2.gz HAFOXTUBTFRLLG-UHFFFAOYSA-N 1 0 317.311 2.711 20 5 DFBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184771733 427536138 /nfs/dbraw/zinc/53/61/38/427536138.db2.gz VFKPZKAXLNNKEB-HUUCEWRRSA-N 1 0 320.345 2.507 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C)C1 ZINC000286478744 427537319 /nfs/dbraw/zinc/53/73/19/427537319.db2.gz WJDXIXYSBPVILF-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(N(C)CCC[N@H+](C)Cc2ccco2)ncc1[N+](=O)[O-] ZINC000286667445 427538865 /nfs/dbraw/zinc/53/88/65/427538865.db2.gz XNDFWJCHGKOTSE-UHFFFAOYSA-N 1 0 318.377 2.850 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287224950 427555822 /nfs/dbraw/zinc/55/58/22/427555822.db2.gz QIOVWMPETNBPIU-BBRMVZONSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000338899819 427546828 /nfs/dbraw/zinc/54/68/28/427546828.db2.gz IOGDEQUUZCKCKR-NOZJJQNGSA-N 1 0 320.374 2.582 20 5 DFBDRO CC[N@H+](CCNC(=O)c1cc(SC)ccc1[N+](=O)[O-])C1CC1 ZINC000263716661 427549577 /nfs/dbraw/zinc/54/95/77/427549577.db2.gz LAOKDDUAASVXRK-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000287470038 427617309 /nfs/dbraw/zinc/61/73/09/427617309.db2.gz WVSMIHGZWFOCIT-GFCCVEGCSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279267955 427619843 /nfs/dbraw/zinc/61/98/43/427619843.db2.gz NBLSDFJZMNXNGW-XNRPHZJLSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@](C)(O)C(F)(F)F ZINC000271497604 427560704 /nfs/dbraw/zinc/56/07/04/427560704.db2.gz LQUWEVWEMZQXKR-MFKMUULPSA-N 1 0 320.311 2.819 20 5 DFBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263769466 427562974 /nfs/dbraw/zinc/56/29/74/427562974.db2.gz CIXNKVIAHAHXQO-WCQYABFASA-N 1 0 300.362 2.741 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294176322 427574384 /nfs/dbraw/zinc/57/43/84/427574384.db2.gz JINOKLUPWSXAIO-BETUJISGSA-N 1 0 320.393 2.768 20 5 DFBDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279154147 427578922 /nfs/dbraw/zinc/57/89/22/427578922.db2.gz ZDERIQOFCMNDTO-GXTWGEPZSA-N 1 0 314.769 2.532 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn2ccccc12 ZINC000338957500 427588263 /nfs/dbraw/zinc/58/82/63/427588263.db2.gz GMFXCWHATXPYRL-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000271831156 427593389 /nfs/dbraw/zinc/59/33/89/427593389.db2.gz XBFLPUODDSEGII-CQSZACIVSA-N 1 0 315.373 2.724 20 5 DFBDRO CC[C@H](C)[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287416506 427604381 /nfs/dbraw/zinc/60/43/81/427604381.db2.gz OSNJWGFCTNLUBD-LBPRGKRZSA-N 1 0 319.361 2.843 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279235115 427608001 /nfs/dbraw/zinc/60/80/01/427608001.db2.gz JMXSBQCZODWPQV-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295000175 427669058 /nfs/dbraw/zinc/66/90/58/427669058.db2.gz IJEQMUZYEQWKJF-SCDSUCTJSA-N 1 0 316.348 2.910 20 5 DFBDRO Cc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc([N+](=O)[O-])c1 ZINC000272206013 427671185 /nfs/dbraw/zinc/67/11/85/427671185.db2.gz QNWJSUVHIUISDQ-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294905420 427666673 /nfs/dbraw/zinc/66/66/73/427666673.db2.gz WDLXJYAWSYUQMU-SPGJAERMSA-N 1 0 317.389 2.785 20 5 DFBDRO C[C@H]1[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@@H+]1C ZINC000343488386 272157890 /nfs/dbraw/zinc/15/78/90/272157890.db2.gz FQOCOHFKQPRLPN-GWCFXTLKSA-N 1 0 317.345 2.554 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529675 272165315 /nfs/dbraw/zinc/16/53/15/272165315.db2.gz ASASMVYUYPKCOT-KBPBESRZSA-N 1 0 308.378 2.599 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000343581211 272176475 /nfs/dbraw/zinc/17/64/75/272176475.db2.gz WIEQVTHZUCWBPC-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CCC[NH+]1CCCC1 ZINC000287724526 427678219 /nfs/dbraw/zinc/67/82/19/427678219.db2.gz LKDCRZSTZOBHKS-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000298699317 427680965 /nfs/dbraw/zinc/68/09/65/427680965.db2.gz BEWQMIYUPUNLHG-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CN(C)C(=O)C1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000295070561 427681720 /nfs/dbraw/zinc/68/17/20/427681720.db2.gz CXNPKMXYRNUXND-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344243299 272296105 /nfs/dbraw/zinc/29/61/05/272296105.db2.gz BATSGQLSFUUCHN-IAGOWNOFSA-N 1 0 313.357 2.952 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC000344271635 272302180 /nfs/dbraw/zinc/30/21/80/272302180.db2.gz ABVBRDVZDWRDHS-ARFHVFGLSA-N 1 0 320.389 2.767 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344424671 272329713 /nfs/dbraw/zinc/32/97/13/272329713.db2.gz VAYLFNXNXZVPRR-VNHYZAJKSA-N 1 0 304.394 2.831 20 5 DFBDRO C[NH+](C)CCC1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344551703 272337466 /nfs/dbraw/zinc/33/74/66/272337466.db2.gz DQOWVMYNBNXACW-UHFFFAOYSA-N 1 0 323.368 2.538 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000344625157 272349293 /nfs/dbraw/zinc/34/92/93/272349293.db2.gz WSXVVRSXYXOURG-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc(C[NH2+]CCCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000344727067 272362102 /nfs/dbraw/zinc/36/21/02/272362102.db2.gz RZJOCJWFPAFOSQ-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NC(C)C ZINC000344791826 272369755 /nfs/dbraw/zinc/36/97/55/272369755.db2.gz KUOGKDLNTYEAGD-LCYFTJDESA-N 1 0 305.378 2.502 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN1CCCC1=O ZINC000344796194 272371213 /nfs/dbraw/zinc/37/12/13/272371213.db2.gz SRTYQHJZXSFLOG-XXYUJHKVSA-N 1 0 317.389 2.599 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ncc(C)cn1 ZINC000344831719 272375626 /nfs/dbraw/zinc/37/56/26/272375626.db2.gz MRFNFSJGQXZMKU-MDWZMJQESA-N 1 0 312.373 2.929 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000344836818 272376774 /nfs/dbraw/zinc/37/67/74/272376774.db2.gz VSYHRJHQGUCUNL-UHFFFAOYSA-N 1 0 319.361 2.755 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cccn1 ZINC000344857974 272377384 /nfs/dbraw/zinc/37/73/84/272377384.db2.gz GGBQRLXSCLCKEM-KAMYIIQDSA-N 1 0 300.362 2.875 20 5 DFBDRO CSC[C@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344857213 272377555 /nfs/dbraw/zinc/37/75/55/272377555.db2.gz FXCWWLMFBYQIGQ-WASHYIJTSA-N 1 0 310.419 2.702 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCSCCCO ZINC000344854632 272377982 /nfs/dbraw/zinc/37/79/82/272377982.db2.gz KEMGJHFCXMYQBO-RAXLEYEMSA-N 1 0 310.419 2.703 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000344861230 272378476 /nfs/dbraw/zinc/37/84/76/272378476.db2.gz JVWDCLMITXCEFP-COSNYCCFSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344923930 272385019 /nfs/dbraw/zinc/38/50/19/272385019.db2.gz XNRBMYYQWGBOKO-YPMHNXCESA-N 1 0 306.366 2.507 20 5 DFBDRO COc1cccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000344972335 272388993 /nfs/dbraw/zinc/38/89/93/272388993.db2.gz NPMCJFGBXVQZRV-ALCCZGGFSA-N 1 0 313.357 2.844 20 5 DFBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1CO ZINC000339121926 427685293 /nfs/dbraw/zinc/68/52/93/427685293.db2.gz AMVDLAIOAMRXHF-ONGXEEELSA-N 1 0 318.295 2.674 20 5 DFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@@H](C)O ZINC000339187507 427723197 /nfs/dbraw/zinc/72/31/97/427723197.db2.gz CFKOOYDZNAXVOK-SECBINFHSA-N 1 0 306.284 2.816 20 5 DFBDRO CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000295095527 427688174 /nfs/dbraw/zinc/68/81/74/427688174.db2.gz JUEKVPZJSDAQCP-SWLSCSKDSA-N 1 0 323.393 2.717 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298739301 427692396 /nfs/dbraw/zinc/69/23/96/427692396.db2.gz NUWZPMJFEYDLDJ-KBPBESRZSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193557797 427699449 /nfs/dbraw/zinc/69/94/49/427699449.db2.gz YAXQDXKXDSWWAY-QGZVFWFLSA-N 1 0 324.421 2.839 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCCC1 ZINC000336861940 427765390 /nfs/dbraw/zinc/76/53/90/427765390.db2.gz BIRFTSAMMQDAMO-LBPRGKRZSA-N 1 0 309.414 2.654 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000336865958 427766547 /nfs/dbraw/zinc/76/65/47/427766547.db2.gz VILZGRKFXQXHIQ-UHFFFAOYSA-N 1 0 302.378 2.707 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000339392486 427766684 /nfs/dbraw/zinc/76/66/84/427766684.db2.gz FIIATUPYCXHMBR-GFCCVEGCSA-N 1 0 306.322 2.603 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301064359 427772942 /nfs/dbraw/zinc/77/29/42/427772942.db2.gz OCNYVNLEAVKHSB-CYBMUJFWSA-N 1 0 311.357 2.503 20 5 DFBDRO Cc1nn(C)c(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301099356 427775073 /nfs/dbraw/zinc/77/50/73/427775073.db2.gz QOFBDUGSURDRLC-IAQYHMDHSA-N 1 0 309.414 2.559 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000301155070 427778844 /nfs/dbraw/zinc/77/88/44/427778844.db2.gz FQTCNDMFDYHDKW-OKILXGFUSA-N 1 0 307.394 2.814 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCCN(Cc3cscn3)CC2)cc1 ZINC000301162037 427779202 /nfs/dbraw/zinc/77/92/02/427779202.db2.gz SIWBIDUBKYYUID-UHFFFAOYSA-N 1 0 318.402 2.764 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000339252815 427741124 /nfs/dbraw/zinc/74/11/24/427741124.db2.gz HXJORQRKFDTRAW-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000339253791 427743863 /nfs/dbraw/zinc/74/38/63/427743863.db2.gz UNVKOCDHJCEQSO-NSHDSACASA-N 1 0 323.393 2.908 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1 ZINC000299106577 427751766 /nfs/dbraw/zinc/75/17/66/427751766.db2.gz QCKMHIHBHLRNHX-UHFFFAOYSA-N 1 0 322.409 2.507 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301411399 427795003 /nfs/dbraw/zinc/79/50/03/427795003.db2.gz KHPNYFYALHPDRO-FZMZJTMJSA-N 1 0 305.378 2.716 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301603316 427809182 /nfs/dbraw/zinc/80/91/82/427809182.db2.gz KYCZYARNQADSCA-LLVKDONJSA-N 1 0 323.422 2.694 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@H](CC2CC2)C1 ZINC000339675021 427809716 /nfs/dbraw/zinc/80/97/16/427809716.db2.gz RALMGMVUSPHVQN-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339707919 427815833 /nfs/dbraw/zinc/81/58/33/427815833.db2.gz QOILCDAOSXMFCN-QGZVFWFLSA-N 1 0 322.405 2.834 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCO[C@H]2c2ccncc2)cc1 ZINC000337244116 427822742 /nfs/dbraw/zinc/82/27/42/427822742.db2.gz GWQANTMICWPUJO-IRXDYDNUSA-N 1 0 313.357 3.000 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCOC[C@H]1CC1CCC1 ZINC000339774870 427826851 /nfs/dbraw/zinc/82/68/51/427826851.db2.gz YCEHDENXRXZAEQ-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc(NCC2([N@H+](C)CCO)CCCCC2)c([N+](=O)[O-])c1 ZINC000301816224 427827051 /nfs/dbraw/zinc/82/70/51/427827051.db2.gz JEIXBKQSVBXBPX-UHFFFAOYSA-N 1 0 321.421 2.942 20 5 DFBDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405865 427839792 /nfs/dbraw/zinc/83/97/92/427839792.db2.gz WDXDBYMCJFZKNK-KBPBESRZSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[C@@H](C)[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000337317778 427840594 /nfs/dbraw/zinc/84/05/94/427840594.db2.gz LTBLRPQMGIPEIC-GFCCVEGCSA-N 1 0 317.393 2.782 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359413914 427842492 /nfs/dbraw/zinc/84/24/92/427842492.db2.gz HUDXLAJGJVLSHW-XJKSGUPXSA-N 1 0 322.405 2.731 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359419051 427844949 /nfs/dbraw/zinc/84/49/49/427844949.db2.gz LJIGOSQSYJERPI-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO CC[N@@H+]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302020115 427845651 /nfs/dbraw/zinc/84/56/51/427845651.db2.gz NKOQUFYYZMYIER-UHFFFAOYSA-N 1 0 314.389 2.983 20 5 DFBDRO CC[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359432586 427850096 /nfs/dbraw/zinc/85/00/96/427850096.db2.gz WIEHCIBXEVQOTA-IRXDYDNUSA-N 1 0 322.405 2.813 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036279 427850152 /nfs/dbraw/zinc/85/01/52/427850152.db2.gz USQVPIABWBPOKF-ZDUSSCGKSA-N 1 0 314.389 2.982 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@@H]([NH+]3CCCC3)C1)CCN2 ZINC000302460137 427852072 /nfs/dbraw/zinc/85/20/72/427852072.db2.gz REWIBCFFIZBPHW-CYBMUJFWSA-N 1 0 316.405 2.627 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+](C)C1CCCCC1 ZINC000359459060 427860763 /nfs/dbraw/zinc/86/07/63/427860763.db2.gz MTYWHTSYKABZGT-UHFFFAOYSA-N 1 0 309.414 2.796 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000355740871 427869884 /nfs/dbraw/zinc/86/98/84/427869884.db2.gz BPDRDZZWUGACRJ-QGZVFWFLSA-N 1 0 322.405 2.976 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000349857179 427880340 /nfs/dbraw/zinc/88/03/40/427880340.db2.gz UCLQLZAARZMINL-JKSUJKDBSA-N 1 0 310.394 2.812 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000349857174 427880915 /nfs/dbraw/zinc/88/09/15/427880915.db2.gz UCLQLZAARZMINL-CVEARBPZSA-N 1 0 310.394 2.812 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340560407 427881102 /nfs/dbraw/zinc/88/11/02/427881102.db2.gz LWHIGGFOBLBIGK-LLVKDONJSA-N 1 0 313.348 2.647 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000349857381 427882024 /nfs/dbraw/zinc/88/20/24/427882024.db2.gz UNPGWADKGNGBML-UKRRQHHQSA-N 1 0 310.394 2.730 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)[C@@H](C)C1 ZINC000302870268 427884123 /nfs/dbraw/zinc/88/41/23/427884123.db2.gz BKPUELGPDCZCRX-FZMZJTMJSA-N 1 0 304.394 2.703 20 5 DFBDRO CC(C)OCC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000349907282 427895006 /nfs/dbraw/zinc/89/50/06/427895006.db2.gz HUGNHXVMSWMJGD-MRXNPFEDSA-N 1 0 322.405 2.735 20 5 DFBDRO COCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000337419344 427897310 /nfs/dbraw/zinc/89/73/10/427897310.db2.gz QKFMLLFGVPQYCL-KBPBESRZSA-N 1 0 322.409 2.681 20 5 DFBDRO CC(C)(NC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC000345779295 427901050 /nfs/dbraw/zinc/90/10/50/427901050.db2.gz NGMKCLLYWZJTJP-UHFFFAOYSA-N 1 0 324.340 2.908 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1CC ZINC000303656225 427904241 /nfs/dbraw/zinc/90/42/41/427904241.db2.gz LSTYWLLDYGISAG-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000349961370 427906029 /nfs/dbraw/zinc/90/60/29/427906029.db2.gz GPSLRICKTXYKAJ-STQMWFEESA-N 1 0 318.295 2.791 20 5 DFBDRO C[C@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000337445889 427912030 /nfs/dbraw/zinc/91/20/30/427912030.db2.gz QBQIMJKRROVPAL-XHDPSFHLSA-N 1 0 320.780 2.970 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000304112524 427917020 /nfs/dbraw/zinc/91/70/20/427917020.db2.gz GTFYOPYTMVWEEQ-LLVKDONJSA-N 1 0 320.345 2.724 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000337480378 427924615 /nfs/dbraw/zinc/92/46/15/427924615.db2.gz VKZFZXWOOCWWJR-YPMHNXCESA-N 1 0 319.361 2.671 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340299783 427981689 /nfs/dbraw/zinc/98/16/89/427981689.db2.gz CRNGNEPALNQHPQ-ZDUSSCGKSA-N 1 0 321.421 2.719 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413217737 427993447 /nfs/dbraw/zinc/99/34/47/427993447.db2.gz DHSFJQKSHLXSQF-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000345854329 427929460 /nfs/dbraw/zinc/92/94/60/427929460.db2.gz NBTMYCVCRNXZSY-PWSUYJOCSA-N 1 0 306.284 2.695 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000347245560 272755678 /nfs/dbraw/zinc/75/56/78/272755678.db2.gz WPGWFMYTJRYBLT-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347253801 272758343 /nfs/dbraw/zinc/75/83/43/272758343.db2.gz BKLPIKYTOULQGM-JTQLQIEISA-N 1 0 312.345 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnc(OC(F)F)c2)cc1 ZINC000341255752 428028759 /nfs/dbraw/zinc/02/87/59/428028759.db2.gz QXYQHZHZLJOCGF-UHFFFAOYSA-N 1 0 309.272 2.881 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000341261447 428031714 /nfs/dbraw/zinc/03/17/14/428031714.db2.gz PKXVCVYJQVZNMK-AWEZNQCLSA-N 1 0 324.384 3.305 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341259572 428031889 /nfs/dbraw/zinc/03/18/89/428031889.db2.gz CDQVJJWZSLNHHB-STQMWFEESA-N 1 0 320.393 2.979 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000413443119 428049730 /nfs/dbraw/zinc/04/97/30/428049730.db2.gz RCWQDUQDJWGXHN-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413475979 428055695 /nfs/dbraw/zinc/05/56/95/428055695.db2.gz DHIBOVIJIGXLQD-FRRDWIJNSA-N 1 0 317.389 2.745 20 5 DFBDRO COCC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359886098 428061269 /nfs/dbraw/zinc/06/12/69/428061269.db2.gz YUFGJOJSOPFAMO-LBPRGKRZSA-N 1 0 311.357 2.565 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])cc1F ZINC000413297786 428014272 /nfs/dbraw/zinc/01/42/72/428014272.db2.gz RRLYLJZZESZWPI-UHFFFAOYSA-N 1 0 322.340 2.680 20 5 DFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359886097 428061491 /nfs/dbraw/zinc/06/14/91/428061491.db2.gz YUFGJOJSOPFAMO-GFCCVEGCSA-N 1 0 311.357 2.565 20 5 DFBDRO Cc1cc(-c2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143909 428020435 /nfs/dbraw/zinc/02/04/35/428020435.db2.gz HINHKGPNLAUVTK-GXFFZTMASA-N 1 0 302.334 2.618 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000369936727 428093848 /nfs/dbraw/zinc/09/38/48/428093848.db2.gz MVWVCDGCTIZLIJ-CABCVRRESA-N 1 0 317.389 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c(Cl)c1 ZINC000359959613 428094885 /nfs/dbraw/zinc/09/48/85/428094885.db2.gz MVZWZBRUNHVEDZ-LLVKDONJSA-N 1 0 306.753 2.618 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377426555 428126845 /nfs/dbraw/zinc/12/68/45/428126845.db2.gz QABAJBUMLJOPSE-OLZOCXBDSA-N 1 0 318.377 2.652 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352541284 428143030 /nfs/dbraw/zinc/14/30/30/428143030.db2.gz VZJBBJODJSWXPC-UONOGXRCSA-N 1 0 306.362 2.604 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360148889 428180120 /nfs/dbraw/zinc/18/01/20/428180120.db2.gz OORWJTZBKIJVOO-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCC[C@H]1O ZINC000352691356 428207264 /nfs/dbraw/zinc/20/72/64/428207264.db2.gz GJVMLMFKKUHPJN-LSDHHAIUSA-N 1 0 317.345 2.595 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707544 428214772 /nfs/dbraw/zinc/21/47/72/428214772.db2.gz SMSFNENTIWGBMG-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414185682 428226875 /nfs/dbraw/zinc/22/68/75/428226875.db2.gz CICYDIWARQFXCC-QWHCGFSZSA-N 1 0 323.393 2.574 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766029 428187685 /nfs/dbraw/zinc/18/76/85/428187685.db2.gz FAOXSOWQWNURGP-IUODEOHRSA-N 1 0 305.378 2.646 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352660885 428188246 /nfs/dbraw/zinc/18/82/46/428188246.db2.gz PVTTWZHLSNWAJZ-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO 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 428197789 /nfs/dbraw/zinc/19/77/89/428197789.db2.gz UHYVWRSOUPIOFF-DLFLCNGJSA-N 1 0 306.337 2.589 20 5 DFBDRO CCN1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342234 428264064 /nfs/dbraw/zinc/26/40/64/428264064.db2.gz MBCTWECALYNWOP-XIRDDKMYSA-N 1 0 317.433 2.990 20 5 DFBDRO CCN1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353945 428266150 /nfs/dbraw/zinc/26/61/50/428266150.db2.gz ZRFZQDOAXXOVKL-CVEARBPZSA-N 1 0 303.406 2.600 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341999834 428273980 /nfs/dbraw/zinc/27/39/80/428273980.db2.gz YLAPKVCPWAEVGC-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414368959 428274477 /nfs/dbraw/zinc/27/44/77/428274477.db2.gz UCYAVRQEMQVHRT-GFCCVEGCSA-N 1 0 317.393 2.554 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CCC[NH2+]CC3)o2)c1 ZINC000346691849 428277791 /nfs/dbraw/zinc/27/77/91/428277791.db2.gz XQAJJYYIGKFWJX-UHFFFAOYSA-N 1 0 301.346 2.650 20 5 DFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881004 428292410 /nfs/dbraw/zinc/29/24/10/428292410.db2.gz YWRRPASJLZZLJG-LSDHHAIUSA-N 1 0 322.405 2.989 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352780026 428246433 /nfs/dbraw/zinc/24/64/33/428246433.db2.gz RCHPITXEWHUOQP-QWHCGFSZSA-N 1 0 307.394 2.518 20 5 DFBDRO [NH3+]C1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000346628998 428247188 /nfs/dbraw/zinc/24/71/88/428247188.db2.gz BJELIBDPUXXVKX-UHFFFAOYSA-N 1 0 301.346 2.778 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000377858898 428248221 /nfs/dbraw/zinc/24/82/21/428248221.db2.gz CWHDUAHWNHCKFD-CQSZACIVSA-N 1 0 314.389 2.794 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000352789648 428249301 /nfs/dbraw/zinc/24/93/01/428249301.db2.gz CQRNEJIUPWBDSI-FZMZJTMJSA-N 1 0 323.418 2.573 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352796547 428254807 /nfs/dbraw/zinc/25/48/07/428254807.db2.gz GOFLAMBGTUFXLY-QWHCGFSZSA-N 1 0 307.369 2.793 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191293662 273580382 /nfs/dbraw/zinc/58/03/82/273580382.db2.gz IANNSMWXFXIFMD-CABCVRRESA-N 1 0 317.389 2.868 20 5 DFBDRO CC1(C)CC[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000186597674 273582031 /nfs/dbraw/zinc/58/20/31/273582031.db2.gz LCOLXFQLCRXCAI-CQSZACIVSA-N 1 0 319.405 2.674 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879741 428312380 /nfs/dbraw/zinc/31/23/80/428312380.db2.gz YCBQEKJVNCQLAQ-UONOGXRCSA-N 1 0 311.332 2.936 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000346808857 428327244 /nfs/dbraw/zinc/32/72/44/428327244.db2.gz OGVASHDIQATAFL-FMKPAKJESA-N 1 0 305.422 2.988 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000356833460 428329189 /nfs/dbraw/zinc/32/91/89/428329189.db2.gz DUZXGQCTAPPFLI-HNNXBMFYSA-N 1 0 300.362 2.959 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346828800 428334438 /nfs/dbraw/zinc/33/44/38/428334438.db2.gz ITBIEEJJQHSEKI-IMJJTQAJSA-N 1 0 303.406 2.887 20 5 DFBDRO COc1c(-c2nc([C@H]([NH3+])CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000414617383 428356600 /nfs/dbraw/zinc/35/66/00/428356600.db2.gz LJDFLUMIGPCLQI-SNVBAGLBSA-N 1 0 306.322 2.699 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378404826 428389033 /nfs/dbraw/zinc/38/90/33/428389033.db2.gz PWNPYOXHMAPEDG-XABYNWHXSA-N 1 0 317.389 2.645 20 5 DFBDRO COc1cc(C[NH2+]C2CC(C(F)(F)F)C2)c([N+](=O)[O-])cc1O ZINC000342302252 428392247 /nfs/dbraw/zinc/39/22/47/428392247.db2.gz OFCFUCUASCIMDM-UHFFFAOYSA-N 1 0 320.267 2.740 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353129316 428398234 /nfs/dbraw/zinc/39/82/34/428398234.db2.gz UKMMDVLXNWCUTJ-AWEZNQCLSA-N 1 0 307.394 2.567 20 5 DFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414764503 428398260 /nfs/dbraw/zinc/39/82/60/428398260.db2.gz DOLVHONKHMSIBU-MRXNPFEDSA-N 1 0 309.385 2.852 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000342340628 428408069 /nfs/dbraw/zinc/40/80/69/428408069.db2.gz POXVKCCJKBENKU-UONOGXRCSA-N 1 0 319.405 2.955 20 5 DFBDRO CC[NH+](CC)CCN(CCOC)c1cc(C)ccc1[N+](=O)[O-] ZINC000342235384 428363067 /nfs/dbraw/zinc/36/30/67/428363067.db2.gz RDXWRWKAVBBHBG-UHFFFAOYSA-N 1 0 309.410 2.698 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414667506 428366919 /nfs/dbraw/zinc/36/69/19/428366919.db2.gz XXNWKOARJVWQDM-QOARYFPJSA-N 1 0 318.377 2.622 20 5 DFBDRO Cc1ccc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414658011 428367538 /nfs/dbraw/zinc/36/75/38/428367538.db2.gz KWRZOKJLSFNQPR-CYBMUJFWSA-N 1 0 308.382 2.740 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1cc(C)no1 ZINC000353101724 428385731 /nfs/dbraw/zinc/38/57/31/428385731.db2.gz YIGRATADEUVZCP-UHFFFAOYSA-N 1 0 305.334 2.622 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCNC1 ZINC000414866147 428437398 /nfs/dbraw/zinc/43/73/98/428437398.db2.gz MFKVBBROYQHTQN-NUEKZKHPSA-N 1 0 303.406 2.648 20 5 DFBDRO [NH3+][C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414889256 428446283 /nfs/dbraw/zinc/44/62/83/428446283.db2.gz LGDWTSUWLOFRJE-CQSZACIVSA-N 1 0 318.402 2.545 20 5 DFBDRO [NH3+][C@@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414886171 428447842 /nfs/dbraw/zinc/44/78/42/428447842.db2.gz CKCMIVYRINEFJU-AWEZNQCLSA-N 1 0 301.346 2.682 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCNC1 ZINC000414925791 428458778 /nfs/dbraw/zinc/45/87/78/428458778.db2.gz MFKVBBROYQHTQN-BMFZPTHFSA-N 1 0 303.406 2.648 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360900799 428483488 /nfs/dbraw/zinc/48/34/88/428483488.db2.gz AKKXSWLJNNKDBA-CYBMUJFWSA-N 1 0 309.414 2.796 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3[C@H]4C[NH2+]C[C@H]43)s2)cc1 ZINC000415020402 428490348 /nfs/dbraw/zinc/49/03/48/428490348.db2.gz ATXZANUTDNSQMQ-FOLVSLTJSA-N 1 0 315.398 2.631 20 5 DFBDRO C[C@@H]([NH3+])[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415021309 428491001 /nfs/dbraw/zinc/49/10/01/428491001.db2.gz UIOZEMHFRAGTBP-NXEZZACHSA-N 1 0 306.391 2.544 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341235 428493122 /nfs/dbraw/zinc/49/31/22/428493122.db2.gz BXLZWYCMMJFBSD-SGMGOOAPSA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1ccc(C(=O)N(CCC[NH3+])CC2CCCC2)cc1[N+](=O)[O-] ZINC000357347606 428493821 /nfs/dbraw/zinc/49/38/21/428493821.db2.gz CVWIPPGGJNOCRS-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000395756708 428499531 /nfs/dbraw/zinc/49/95/31/428499531.db2.gz HKWJAYPTUPACDI-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO C[C@@H](CO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000347230637 428502547 /nfs/dbraw/zinc/50/25/47/428502547.db2.gz OGSUTLHZMRTCAO-ZDUSSCGKSA-N 1 0 308.378 2.599 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000360959106 428510672 /nfs/dbraw/zinc/51/06/72/428510672.db2.gz FIMQDUJFSBLDMB-NWDGAFQWSA-N 1 0 309.414 2.794 20 5 DFBDRO C[NH2+]CCCN(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000415132699 428532090 /nfs/dbraw/zinc/53/20/90/428532090.db2.gz LPRQHCRPELUSOS-UHFFFAOYSA-N 1 0 303.362 2.896 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[NH+](C2CCCC2)CC1 ZINC000360880138 428476356 /nfs/dbraw/zinc/47/63/56/428476356.db2.gz QVEKMIOVPZDSCW-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347449308 428582620 /nfs/dbraw/zinc/58/26/20/428582620.db2.gz ORIIKRAKKTZEJS-NEPJUHHUSA-N 1 0 315.377 2.823 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347449311 428583468 /nfs/dbraw/zinc/58/34/68/428583468.db2.gz ORIIKRAKKTZEJS-NWDGAFQWSA-N 1 0 315.377 2.823 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415480234 428587779 /nfs/dbraw/zinc/58/77/79/428587779.db2.gz HBCMDDJRQIJRGJ-MFKMUULPSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415488263 428588995 /nfs/dbraw/zinc/58/89/95/428588995.db2.gz VCPXFNOYTGRYIR-UHFFFAOYSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415494949 428589229 /nfs/dbraw/zinc/58/92/29/428589229.db2.gz FMRLVUKWFWWFJN-SMDDNHRTSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000415489469 428589449 /nfs/dbraw/zinc/58/94/49/428589449.db2.gz XCDRLDHUSGVMOY-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415487203 428589694 /nfs/dbraw/zinc/58/96/94/428589694.db2.gz SUHCQRVPSROKCQ-QWHCGFSZSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347295344 428532825 /nfs/dbraw/zinc/53/28/25/428532825.db2.gz XRYZKAVMRYPFFL-UHFFFAOYSA-N 1 0 312.345 2.538 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000343252651 428541133 /nfs/dbraw/zinc/54/11/33/428541133.db2.gz RDBQFBONHUACPV-DGCLKSJQSA-N 1 0 318.377 3.433 20 5 DFBDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343885473 428594018 /nfs/dbraw/zinc/59/40/18/428594018.db2.gz VQLNQHFMRKNPCX-GJZGRUSLSA-N 1 0 322.405 2.954 20 5 DFBDRO Cc1cc(N2C[C@H](C)C[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000401624531 428557134 /nfs/dbraw/zinc/55/71/34/428557134.db2.gz URPQRPJZFPKDTN-MFKMUULPSA-N 1 0 301.346 2.659 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415291188 428563461 /nfs/dbraw/zinc/56/34/61/428563461.db2.gz FSFMNJHZDKOWCD-GWCFXTLKSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347366615 428564177 /nfs/dbraw/zinc/56/41/77/428564177.db2.gz ZZCPBFOIEVSNQW-OAHLLOKOSA-N 1 0 309.341 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415303787 428564620 /nfs/dbraw/zinc/56/46/20/428564620.db2.gz VHBBHQODVXAXMU-CYBMUJFWSA-N 1 0 320.393 2.723 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000347375168 428566041 /nfs/dbraw/zinc/56/60/41/428566041.db2.gz NWOOWXWJMKINSL-QOWCBPNGSA-N 1 0 320.389 2.780 20 5 DFBDRO COC(=O)C1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347375196 428566352 /nfs/dbraw/zinc/56/63/52/428566352.db2.gz OFMQCIVVNZDVHO-XYOKQWHBSA-N 1 0 304.346 2.541 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000373530162 428598133 /nfs/dbraw/zinc/59/81/33/428598133.db2.gz OTWVLFBUOVCAHM-JSGCOSHPSA-N 1 0 317.389 2.860 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415579799 428599189 /nfs/dbraw/zinc/59/91/89/428599189.db2.gz KQMISCKVDNCNLZ-GWCFXTLKSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415578929 428599284 /nfs/dbraw/zinc/59/92/84/428599284.db2.gz JIHGXBZJGCXVKC-CQSZACIVSA-N 1 0 320.393 2.721 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347578503 428610154 /nfs/dbraw/zinc/61/01/54/428610154.db2.gz ICSVFLRITAPLGK-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO CCC(CC)[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000344031128 428611522 /nfs/dbraw/zinc/61/15/22/428611522.db2.gz PHDHYYFIKONJTH-UHFFFAOYSA-N 1 0 319.405 2.994 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030461 428611720 /nfs/dbraw/zinc/61/17/20/428611720.db2.gz BQPZXGRRXHEEAE-UONOGXRCSA-N 1 0 322.405 2.703 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000373722592 428640381 /nfs/dbraw/zinc/64/03/81/428640381.db2.gz ZYTQXCKIBVMICK-JKSUJKDBSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+](C)Cc1ccccc1 ZINC000344441322 428643645 /nfs/dbraw/zinc/64/36/45/428643645.db2.gz WBVZLRNFDXUHOI-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO COc1cc(N2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000301631930 274096468 /nfs/dbraw/zinc/09/64/68/274096468.db2.gz JIYUDCDDUUUBON-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@@H]1C ZINC000172858311 274290373 /nfs/dbraw/zinc/29/03/73/274290373.db2.gz VCSKNIATIRKVHT-CHWSQXEVSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000348235060 428671861 /nfs/dbraw/zinc/67/18/61/428671861.db2.gz UBKCIDFNVOQZRN-MRXNPFEDSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)[N@H+]1C ZINC000292675490 274364295 /nfs/dbraw/zinc/36/42/95/274364295.db2.gz DILYBALBLNIMJP-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1[NH+](C)C ZINC000268285530 274364361 /nfs/dbraw/zinc/36/43/61/274364361.db2.gz XMABGYOLPFPZFZ-BZNIZROVSA-N 1 0 300.362 2.529 20 5 DFBDRO CCc1cccc(Cl)c1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000353760539 428701191 /nfs/dbraw/zinc/70/11/91/428701191.db2.gz AXLHUTUUDZILIQ-UHFFFAOYSA-N 1 0 308.769 2.797 20 5 DFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362364053 428719201 /nfs/dbraw/zinc/71/92/01/428719201.db2.gz FXOLMJNREKEOJX-UHFFFAOYSA-N 1 0 318.352 3.206 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000374633109 428719834 /nfs/dbraw/zinc/71/98/34/428719834.db2.gz UJPHAIGAFOXQHN-AWEZNQCLSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1nc(NCCCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000348362473 428720025 /nfs/dbraw/zinc/72/00/25/428720025.db2.gz IUTASHKPHWWEFZ-UHFFFAOYSA-N 1 0 306.410 3.366 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353797234 428720320 /nfs/dbraw/zinc/72/03/20/428720320.db2.gz RFAIWKNRZSOVIT-PEYYIBSZSA-N 1 0 319.405 2.939 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000353883531 428760574 /nfs/dbraw/zinc/76/05/74/428760574.db2.gz QGDSKJYPVRKTKP-CVEARBPZSA-N 1 0 304.390 2.524 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000353910991 428775189 /nfs/dbraw/zinc/77/51/89/428775189.db2.gz FFWRPUMHACJZHM-AAEUAGOBSA-N 1 0 320.393 2.761 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411315694 428775879 /nfs/dbraw/zinc/77/58/79/428775879.db2.gz JBZFYLQHVWKAPF-RYUDHWBXSA-N 1 0 321.377 2.805 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000359023984 428778144 /nfs/dbraw/zinc/77/81/44/428778144.db2.gz AIHSLEHKMJAMBS-UKRRQHHQSA-N 1 0 319.405 2.812 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000353934130 428784636 /nfs/dbraw/zinc/78/46/36/428784636.db2.gz WUGJKPKBOGXQHE-UHFFFAOYSA-N 1 0 320.393 2.717 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000353997983 428809219 /nfs/dbraw/zinc/80/92/19/428809219.db2.gz UCDQHVZYGCQIPE-WRLNGNIRSA-N 1 0 302.374 2.987 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568329 428820330 /nfs/dbraw/zinc/82/03/30/428820330.db2.gz KCOLBZLJFXIANI-DOMZBBRYSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000354019805 428825669 /nfs/dbraw/zinc/82/56/69/428825669.db2.gz KPMLZPQQMMJVNL-LLVKDONJSA-N 1 0 317.345 2.507 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348754186 428826858 /nfs/dbraw/zinc/82/68/58/428826858.db2.gz JVYWHUNPYJSILG-CZUORRHYSA-N 1 0 315.373 2.725 20 5 DFBDRO CCNC(=O)[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000354068141 428844604 /nfs/dbraw/zinc/84/46/04/428844604.db2.gz LGILGKZMESCXPO-XJKSGUPXSA-N 1 0 321.421 2.666 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417147688 428861278 /nfs/dbraw/zinc/86/12/78/428861278.db2.gz ZTUMMXLHDRDYNG-DOMZBBRYSA-N 1 0 322.409 2.671 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000359215317 428870448 /nfs/dbraw/zinc/87/04/48/428870448.db2.gz FGJNACTXOUGBMK-LBPRGKRZSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c(C)n1 ZINC000375393080 428872877 /nfs/dbraw/zinc/87/28/77/428872877.db2.gz PJXIEMVJBZUHOA-OAHLLOKOSA-N 1 0 315.377 2.640 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000363211090 428883216 /nfs/dbraw/zinc/88/32/16/428883216.db2.gz BVSDHOKADMXAEG-KGLIPLIRSA-N 1 0 312.373 3.182 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000375468623 428892641 /nfs/dbraw/zinc/89/26/41/428892641.db2.gz FRWNDXMVSNKMQF-GLQYFDAESA-N 1 0 308.353 2.979 20 5 DFBDRO CO[C@](C)([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000411969466 428896302 /nfs/dbraw/zinc/89/63/02/428896302.db2.gz LOHRNQXRCFSJHO-MGPLVRAMSA-N 1 0 318.377 2.764 20 5 DFBDRO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000284310160 274697304 /nfs/dbraw/zinc/69/73/04/274697304.db2.gz LGGCRQCDJVRVDF-MRXNPFEDSA-N 1 0 300.362 2.804 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412039096 428922020 /nfs/dbraw/zinc/92/20/20/428922020.db2.gz PHDZORZMSCSWLO-AWEZNQCLSA-N 1 0 322.405 2.845 20 5 DFBDRO CC(C)[C@H]([NH3+])CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420200111 428947364 /nfs/dbraw/zinc/94/73/64/428947364.db2.gz ZBHTXSWQFSWSBG-GFCCVEGCSA-N 1 0 306.391 3.114 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420238640 428949858 /nfs/dbraw/zinc/94/98/58/428949858.db2.gz NWTYMJHNZVOKFS-NEPJUHHUSA-N 1 0 318.402 3.400 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420242418 428949980 /nfs/dbraw/zinc/94/99/80/428949980.db2.gz VHZWVBCFRKBNBS-KGLIPLIRSA-N 1 0 312.373 3.339 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000412109717 428957419 /nfs/dbraw/zinc/95/74/19/428957419.db2.gz UOJWCDVYSNUZAA-MLGOLLRUSA-N 1 0 306.362 2.931 20 5 DFBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000363632938 428957920 /nfs/dbraw/zinc/95/79/20/428957920.db2.gz LKPXNZVQGRMOPL-DLBZAZTESA-N 1 0 317.389 2.570 20 5 DFBDRO COCCN(CC[NH+](C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000349316738 428960526 /nfs/dbraw/zinc/96/05/26/428960526.db2.gz OHTGOMJLWZXZGU-NTCAYCPXSA-N 1 0 321.421 2.508 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451908296 429017277 /nfs/dbraw/zinc/01/72/77/429017277.db2.gz IXZVPJDFNJKQBV-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412353168 429022267 /nfs/dbraw/zinc/02/22/67/429022267.db2.gz FYJVIPZCZFWCSF-VBNZEHGJSA-N 1 0 319.405 2.543 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421768405 429031422 /nfs/dbraw/zinc/03/14/22/429031422.db2.gz NYHXFYVXMBDKQP-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000421770960 429031589 /nfs/dbraw/zinc/03/15/89/429031589.db2.gz LDIVOOZAPWKGJV-AWEZNQCLSA-N 1 0 319.405 2.625 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451780470 428973371 /nfs/dbraw/zinc/97/33/71/428973371.db2.gz NGPZJLPWOQZZMJ-CQSZACIVSA-N 1 0 310.394 2.832 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)CC(C)(C)C ZINC000451778477 428973914 /nfs/dbraw/zinc/97/39/14/428973914.db2.gz KBCJUEBZQPQFGX-CQSZACIVSA-N 1 0 310.394 2.703 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806964 428980941 /nfs/dbraw/zinc/98/09/41/428980941.db2.gz BDROLKUOJZBZPI-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451825360 428988878 /nfs/dbraw/zinc/98/88/78/428988878.db2.gz CYTQBOVDGYPCLV-HOTGVXAUSA-N 1 0 320.389 2.993 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423692580 428997028 /nfs/dbraw/zinc/99/70/28/428997028.db2.gz CPLBYEKKPRUXAE-JTQLQIEISA-N 1 0 311.769 2.510 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451869684 429002902 /nfs/dbraw/zinc/00/29/02/429002902.db2.gz SDYWKJJLTWEEOH-HOTGVXAUSA-N 1 0 320.389 2.993 20 5 DFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433195070 429009597 /nfs/dbraw/zinc/00/95/97/429009597.db2.gz QOKVCPKJUVCDRG-OAHLLOKOSA-N 1 0 310.419 2.939 20 5 DFBDRO CCn1cccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c1=O ZINC000433199769 429009828 /nfs/dbraw/zinc/00/98/28/429009828.db2.gz DZMHYFUALCNKMQ-VMPITWQZSA-N 1 0 313.357 2.579 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2[C@@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC000452005183 429038600 /nfs/dbraw/zinc/03/86/00/429038600.db2.gz JDEMPPCQAQJTKF-NSHDSACASA-N 1 0 321.377 2.805 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421867934 429042736 /nfs/dbraw/zinc/04/27/36/429042736.db2.gz COPUAYUIWNOWIQ-BBRMVZONSA-N 1 0 319.405 2.894 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CC2(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000421881192 429043538 /nfs/dbraw/zinc/04/35/38/429043538.db2.gz OXBLYIVYWRDCHQ-AWEZNQCLSA-N 1 0 317.389 2.562 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCC[NH+]1CCCC1 ZINC000421881827 429044519 /nfs/dbraw/zinc/04/45/19/429044519.db2.gz IVQZOMYWSIXHRQ-UHFFFAOYSA-N 1 0 319.405 2.770 20 5 DFBDRO COc1cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452114156 429061750 /nfs/dbraw/zinc/06/17/50/429061750.db2.gz JRNXWGAESMNSDQ-CQSZACIVSA-N 1 0 307.394 2.518 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424068946 429084867 /nfs/dbraw/zinc/08/48/67/429084867.db2.gz IFIOBOAFFAJHFI-JMSVASOKSA-N 1 0 319.405 2.603 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957271 429147510 /nfs/dbraw/zinc/14/75/10/429147510.db2.gz FADRCJSWMNXBQC-QWRGUYRKSA-N 1 0 309.341 2.781 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423503617 429100573 /nfs/dbraw/zinc/10/05/73/429100573.db2.gz MXIXIBRNMRBRLP-NWDGAFQWSA-N 1 0 305.378 2.541 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423503615 429101173 /nfs/dbraw/zinc/10/11/73/429101173.db2.gz MXIXIBRNMRBRLP-NEPJUHHUSA-N 1 0 305.378 2.541 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423514645 429105130 /nfs/dbraw/zinc/10/51/30/429105130.db2.gz DOKQSPHKMCUTQE-QGZVFWFLSA-N 1 0 319.405 2.838 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000423519273 429105886 /nfs/dbraw/zinc/10/58/86/429105886.db2.gz DCQFCPWDLUGKOC-QEJZJMRPSA-N 1 0 317.389 2.528 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000089092361 274949420 /nfs/dbraw/zinc/94/94/20/274949420.db2.gz HPABNAKENWCWGX-KWQFWETISA-N 1 0 314.183 2.897 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCN2C2CC2)c(F)c1 ZINC000434794714 429112211 /nfs/dbraw/zinc/11/22/11/429112211.db2.gz NQNASJQPBXLLJH-HNNXBMFYSA-N 1 0 307.369 2.840 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(Cl)cc([N+](=O)[O-])c1=O ZINC000413004721 429121427 /nfs/dbraw/zinc/12/14/27/429121427.db2.gz XQVIMKGSINPQKO-LBPRGKRZSA-N 1 0 313.785 2.673 20 5 DFBDRO CCC[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413027368 429124603 /nfs/dbraw/zinc/12/46/03/429124603.db2.gz YNKQXAZBYXYRPH-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC[C@H]([NH2+]C1CC(CC(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000424327718 429126287 /nfs/dbraw/zinc/12/62/87/429126287.db2.gz ZJKCSUKEWNLMQN-HGMXIMQMSA-N 1 0 306.362 2.977 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000413064023 429131011 /nfs/dbraw/zinc/13/10/11/429131011.db2.gz ACUZBMHJSVQQAH-MRVPVSSYSA-N 1 0 316.283 2.657 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363877812 429131926 /nfs/dbraw/zinc/13/19/26/429131926.db2.gz XAAMUSYEXZKEFM-CQSZACIVSA-N 1 0 314.389 2.701 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000363868045 429132197 /nfs/dbraw/zinc/13/21/97/429132197.db2.gz MPSMMQOUWJMPTR-DLBZAZTESA-N 1 0 303.406 2.962 20 5 DFBDRO C[NH2+]CCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000435379286 429135353 /nfs/dbraw/zinc/13/53/53/429135353.db2.gz BKMDDGZWNFDJOL-UHFFFAOYSA-N 1 0 305.403 2.975 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424413122 429137971 /nfs/dbraw/zinc/13/79/71/429137971.db2.gz CCNKUTXMVWFVMF-VXGBXAGGSA-N 1 0 306.366 2.603 20 5 DFBDRO C[NH+]1CCC(CNc2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413106058 429139312 /nfs/dbraw/zinc/13/93/12/429139312.db2.gz IYQAOEXUXQPLPQ-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000494688797 429141645 /nfs/dbraw/zinc/14/16/45/429141645.db2.gz ILUVONBSERSDMK-HNNXBMFYSA-N 1 0 320.389 2.994 20 5 DFBDRO O=C1[C@H]([N@@H+]2C[C@H]3CCCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368685225 275030597 /nfs/dbraw/zinc/03/05/97/275030597.db2.gz ZLLFDVATHNVYAI-DAXOMENPSA-N 1 0 315.373 2.575 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000301808239 275033686 /nfs/dbraw/zinc/03/36/86/275033686.db2.gz WWLFLKXTGHCQIB-ITDIGPHOSA-N 1 0 323.343 2.794 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745551 429196129 /nfs/dbraw/zinc/19/61/29/429196129.db2.gz LIRHVKLOANRROG-LALPHHSUSA-N 1 0 307.369 2.900 20 5 DFBDRO CC[C@@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000495227760 429191114 /nfs/dbraw/zinc/19/11/14/429191114.db2.gz YVYALKBHIFPLRB-MRXNPFEDSA-N 1 0 308.378 2.729 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC=CCC1 ZINC000355564721 275398334 /nfs/dbraw/zinc/39/83/34/275398334.db2.gz LCHITCIFGOBXRF-QINSGFPZSA-N 1 0 301.390 2.850 20 5 DFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@@H]1C ZINC000489457806 429244628 /nfs/dbraw/zinc/24/46/28/429244628.db2.gz AFZKGGPIKDDUBI-CJNGLKHVSA-N 1 0 308.378 2.529 20 5 DFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCc2nccn2C1 ZINC000364671284 429246793 /nfs/dbraw/zinc/24/67/93/429246793.db2.gz KVSMQRVLWJJDNQ-LBPRGKRZSA-N 1 0 318.352 2.625 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@@H]2C1 ZINC000425283762 429257710 /nfs/dbraw/zinc/25/77/10/429257710.db2.gz MSFVGHHESCKMGO-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425354828 429273376 /nfs/dbraw/zinc/27/33/76/429273376.db2.gz STNWCPDFIWWCDO-YFCVBGDOSA-N 1 0 313.361 2.537 20 5 DFBDRO O=C(/C=C\c1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCC1 ZINC000491062562 429321749 /nfs/dbraw/zinc/32/17/49/429321749.db2.gz YTICMQZKMCFXFE-YFHOEESVSA-N 1 0 317.389 2.600 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000449124001 429338683 /nfs/dbraw/zinc/33/86/83/429338683.db2.gz FCRJYGHRGSPQTM-YOEHRIQHSA-N 1 0 314.385 2.719 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000365400765 429313213 /nfs/dbraw/zinc/31/32/13/429313213.db2.gz AUKXJFRQSCMGFC-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457071782 429391355 /nfs/dbraw/zinc/39/13/55/429391355.db2.gz ILDILCZSORZLTL-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000457074191 429393040 /nfs/dbraw/zinc/39/30/40/429393040.db2.gz LPBCBHLXLKJIIN-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426454026 429393349 /nfs/dbraw/zinc/39/33/49/429393349.db2.gz LOKZKVTUDHWHSO-QWHCGFSZSA-N 1 0 303.362 2.716 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894394 429397327 /nfs/dbraw/zinc/39/73/27/429397327.db2.gz SFWJOVLGUVTYNF-KGLIPLIRSA-N 1 0 304.394 2.751 20 5 DFBDRO COc1nccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000449373598 429398671 /nfs/dbraw/zinc/39/86/71/429398671.db2.gz SEMASZFVEJJMOE-LBPRGKRZSA-N 1 0 316.361 2.504 20 5 DFBDRO COc1nccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000449373597 429399583 /nfs/dbraw/zinc/39/95/83/429399583.db2.gz SEMASZFVEJJMOE-GFCCVEGCSA-N 1 0 316.361 2.504 20 5 DFBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457112351 429404988 /nfs/dbraw/zinc/40/49/88/429404988.db2.gz JDEOWFZSCZWSSE-OAHLLOKOSA-N 1 0 319.405 2.712 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@@H]1CC ZINC000449421318 429411276 /nfs/dbraw/zinc/41/12/76/429411276.db2.gz LHIOBRJFLLFLSR-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CC(F)(F)C2)n1 ZINC000425936745 429352573 /nfs/dbraw/zinc/35/25/73/429352573.db2.gz OFIUILQOQYTYIY-RYUDHWBXSA-N 1 0 314.336 2.910 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000449210300 429357734 /nfs/dbraw/zinc/35/77/34/429357734.db2.gz RUMMKKACIXOHNN-SUZMYJTESA-N 1 0 320.311 2.817 20 5 DFBDRO CCc1nnc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449211071 429358181 /nfs/dbraw/zinc/35/81/81/429358181.db2.gz WWWSREZFQQTHDW-QWRGUYRKSA-N 1 0 303.366 2.557 20 5 DFBDRO Cc1ccoc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426301522 429380291 /nfs/dbraw/zinc/38/02/91/429380291.db2.gz NIUKTALAKCMAAZ-OLZOCXBDSA-N 1 0 304.350 2.966 20 5 DFBDRO CCc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000457038770 429383019 /nfs/dbraw/zinc/38/30/19/429383019.db2.gz DDUCVWWGAPRFOL-UHFFFAOYSA-N 1 0 319.405 2.761 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457052442 429387242 /nfs/dbraw/zinc/38/72/42/429387242.db2.gz ODDCPZDLJVINRH-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449525169 429443636 /nfs/dbraw/zinc/44/36/36/429443636.db2.gz BDIHTZQJTOEOPI-CQSZACIVSA-N 1 0 308.403 2.931 20 5 DFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000427411605 429449893 /nfs/dbraw/zinc/44/98/93/429449893.db2.gz GYGIKXWNUYCUDX-UHFFFAOYSA-N 1 0 303.309 2.948 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H](O)CC ZINC000449636568 429466644 /nfs/dbraw/zinc/46/66/44/429466644.db2.gz DOSOLGFHOHRQDO-NEPJUHHUSA-N 1 0 318.320 2.835 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000457193313 429424101 /nfs/dbraw/zinc/42/41/01/429424101.db2.gz CXPHKAUGQMYPOF-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000366860106 429528318 /nfs/dbraw/zinc/52/83/18/429528318.db2.gz YOCZGVPMFQTARE-ZDUSSCGKSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613321 429471646 /nfs/dbraw/zinc/47/16/46/429471646.db2.gz NLZBYLORHNYZFG-YPMHNXCESA-N 1 0 312.373 3.180 20 5 DFBDRO CC1(C)CC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000519713606 429480393 /nfs/dbraw/zinc/48/03/93/429480393.db2.gz VDNKVLJQXLAMBY-GFCCVEGCSA-N 1 0 302.334 2.923 20 5 DFBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366579664 429481101 /nfs/dbraw/zinc/48/11/01/429481101.db2.gz RKKHNDCEPIMGHK-BLLLJJGKSA-N 1 0 324.352 2.504 20 5 DFBDRO COC[C@]1(CO)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449701590 429485080 /nfs/dbraw/zinc/48/50/80/429485080.db2.gz QVUVCXZURLXTOE-QGZVFWFLSA-N 1 0 322.405 2.549 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743331 429493220 /nfs/dbraw/zinc/49/32/20/429493220.db2.gz WRSGPPMEUCBFEG-RBOXIYTFSA-N 1 0 317.389 2.948 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H]([NH+]4CCCC4)C3)ccnc21 ZINC000520321136 429510264 /nfs/dbraw/zinc/51/02/64/429510264.db2.gz IGVLPGQJFLPBJZ-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000520610448 429522776 /nfs/dbraw/zinc/52/27/76/429522776.db2.gz XYPCHWACXYSBHO-OAHLLOKOSA-N 1 0 319.405 2.594 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000367049900 429565590 /nfs/dbraw/zinc/56/55/90/429565590.db2.gz KBINFZVRYHDUJS-DZGCQCFKSA-N 1 0 315.377 2.502 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492592101 429572243 /nfs/dbraw/zinc/57/22/43/429572243.db2.gz HQJRQDLQVCBIDZ-FJVVXJACSA-N 1 0 317.389 2.597 20 5 DFBDRO COc1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000429251187 429590139 /nfs/dbraw/zinc/59/01/39/429590139.db2.gz CAOPQQGJEOHXRT-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO C[C@@H]1CCCN1C(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429228003 429588304 /nfs/dbraw/zinc/58/83/04/429588304.db2.gz RGOAZECJJXXJJQ-CYBMUJFWSA-N 1 0 319.405 2.821 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000429774193 429632339 /nfs/dbraw/zinc/63/23/39/429632339.db2.gz MEGYOJYIZVPMEH-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000450285561 429593495 /nfs/dbraw/zinc/59/34/95/429593495.db2.gz NRIXPAOUPVZFBG-ZDUSSCGKSA-N 1 0 319.365 2.781 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450328695 429601728 /nfs/dbraw/zinc/60/17/28/429601728.db2.gz ILZVVFJWBQPTDC-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+](C)C ZINC000450347326 429606391 /nfs/dbraw/zinc/60/63/91/429606391.db2.gz HPHIQQSAOIKYPX-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCC[N@H+]1CCCO ZINC000450597535 429656993 /nfs/dbraw/zinc/65/69/93/429656993.db2.gz PBZFPDSPIYCPGQ-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232019 429665248 /nfs/dbraw/zinc/66/52/48/429665248.db2.gz DZIAVVDSYLAZMY-CQSZACIVSA-N 1 0 321.421 2.767 20 5 DFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000360088139 276101909 /nfs/dbraw/zinc/10/19/09/276101909.db2.gz GLMMVXKQKXVHJE-LBPRGKRZSA-N 1 0 313.373 2.547 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000408448424 276148949 /nfs/dbraw/zinc/14/89/49/276148949.db2.gz UQRMXBSLGUWJFW-RDBSUJKOSA-N 1 0 322.409 2.822 20 5 DFBDRO CCOc1cccc(N2CC[N@@H+]3CCCC[C@H]3C2)c1[N+](=O)[O-] ZINC000273125807 276381460 /nfs/dbraw/zinc/38/14/60/276381460.db2.gz ANQKIGGWVZONFB-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO C[C@@H](CC(N)=O)[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493155064 429700105 /nfs/dbraw/zinc/70/01/05/429700105.db2.gz VICXJYBIKMZDLE-YVEFUNNKSA-N 1 0 313.357 2.538 20 5 DFBDRO COC(=O)C(C)(C)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527510527 429754024 /nfs/dbraw/zinc/75/40/24/429754024.db2.gz FQAVPDJOXVRXFP-UHFFFAOYSA-N 1 0 306.362 2.542 20 5 DFBDRO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000493429516 429762024 /nfs/dbraw/zinc/76/20/24/429762024.db2.gz IPPYESXIYGWGIO-XMELGKRDSA-N 1 0 317.389 2.599 20 5 DFBDRO CCOc1cccc(N2CC[N@H+](C)[C@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487086985 429765531 /nfs/dbraw/zinc/76/55/31/429765531.db2.gz OQKJLKQYYNLUJS-AWEZNQCLSA-N 1 0 307.394 2.770 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432349295 429816803 /nfs/dbraw/zinc/81/68/03/429816803.db2.gz UYOBXDDXENUDDK-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493751093 429822203 /nfs/dbraw/zinc/82/22/03/429822203.db2.gz ILXRTRMMZVJERP-HSBSLETESA-N 1 0 317.389 2.551 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451415258 429827000 /nfs/dbraw/zinc/82/70/00/429827000.db2.gz FNSQPUCKWDJPME-LZWOXQAQSA-N 1 0 320.389 2.729 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564951 429868752 /nfs/dbraw/zinc/86/87/52/429868752.db2.gz YECRJOOTZVKOEN-VXGBXAGGSA-N 1 0 310.785 2.706 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000451495192 429836307 /nfs/dbraw/zinc/83/63/07/429836307.db2.gz SEWCMBMYWDUGOK-DAXOMENPSA-N 1 0 318.373 2.651 20 5 DFBDRO CCO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552857 429852296 /nfs/dbraw/zinc/85/22/96/429852296.db2.gz ZEOQDASIIOMTIE-UKRRQHHQSA-N 1 0 308.378 2.721 20 5 DFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCn3cccn3)C2)cc1 ZINC000451549656 429852483 /nfs/dbraw/zinc/85/24/83/429852483.db2.gz PYEDHQUSLXXNGM-HNNXBMFYSA-N 1 0 300.362 2.671 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000368481703 429854807 /nfs/dbraw/zinc/85/48/07/429854807.db2.gz IDKIYSXCQYBJDU-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451619131 429862453 /nfs/dbraw/zinc/86/24/53/429862453.db2.gz XDUDBSFZHQIHOO-RDJZCZTQSA-N 1 0 324.421 2.982 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000368557581 429866963 /nfs/dbraw/zinc/86/69/63/429866963.db2.gz PNMDCALKKLLGPJ-NNQSOWQGSA-N 1 0 317.389 2.859 20 5 DFBDRO C[C@@H]1[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000368217901 429810410 /nfs/dbraw/zinc/81/04/10/429810410.db2.gz BIPSYJZPSJTBSG-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H](O)C[NH+]1CCCCC1 ZINC000432329252 429814245 /nfs/dbraw/zinc/81/42/45/429814245.db2.gz NYDSBOXCKBOEFZ-NSHDSACASA-N 1 0 313.785 2.507 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368760977 429892323 /nfs/dbraw/zinc/89/23/23/429892323.db2.gz INIAVARWBHVHON-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO O=c1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c2c(ccc3ccccc32)o1 ZINC000368800298 429894861 /nfs/dbraw/zinc/89/48/61/429894861.db2.gz MZUXKLTVOFIWNX-KRWDZBQOSA-N 1 0 321.376 2.903 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)c1ccsc1 ZINC000573137358 429929014 /nfs/dbraw/zinc/92/90/14/429929014.db2.gz LWDOLVHRDAMRHO-ZIAGYGMSSA-N 1 0 304.371 2.967 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NC[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000573087125 429925140 /nfs/dbraw/zinc/92/51/40/429925140.db2.gz TYGXQRHFMYSYJB-LBPRGKRZSA-N 1 0 316.405 2.765 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1 ZINC000451695888 429872589 /nfs/dbraw/zinc/87/25/89/429872589.db2.gz AKUVFULAUGVODG-INMHGKMJSA-N 1 0 304.390 2.620 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000558492636 429974835 /nfs/dbraw/zinc/97/48/35/429974835.db2.gz DNBILEOQOFFCQZ-VDBIKXPHSA-N 1 0 312.373 2.868 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000558658686 429983396 /nfs/dbraw/zinc/98/33/96/429983396.db2.gz NXZWWVNCCMWCOA-AWEZNQCLSA-N 1 0 321.421 2.813 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cc1 ZINC000369458794 429950035 /nfs/dbraw/zinc/95/00/35/429950035.db2.gz RNHPLZNXLCOOHT-HZPDHXFCSA-N 1 0 306.362 2.617 20 5 DFBDRO C[NH+](C)CCCC1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000193491594 276783410 /nfs/dbraw/zinc/78/34/10/276783410.db2.gz KSOHXCMBYYDZNM-UHFFFAOYSA-N 1 0 306.410 2.735 20 5 DFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000573973260 429998743 /nfs/dbraw/zinc/99/87/43/429998743.db2.gz SHDRCEVQULVBJF-MFKMUULPSA-N 1 0 314.357 2.629 20 5 DFBDRO CC1(C)CC(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC(C)(C)[NH2+]1 ZINC000574148697 430014147 /nfs/dbraw/zinc/01/41/47/430014147.db2.gz KIQILVLVCYNLGP-UHFFFAOYSA-N 1 0 317.393 2.614 20 5 DFBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000559978898 430017969 /nfs/dbraw/zinc/01/79/69/430017969.db2.gz ALUPKIOYYLFSGV-CQSZACIVSA-N 1 0 302.378 2.663 20 5 DFBDRO CCC(CC)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000561769216 430100012 /nfs/dbraw/zinc/10/00/12/430100012.db2.gz LRQJPICZYMWYJU-OAHLLOKOSA-N 1 0 322.405 2.988 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562216952 430112344 /nfs/dbraw/zinc/11/23/44/430112344.db2.gz AEOWGZCCOQQVPR-KGLIPLIRSA-N 1 0 321.421 2.935 20 5 DFBDRO CC(=O)c1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000561159393 430078938 /nfs/dbraw/zinc/07/89/38/430078938.db2.gz SQRWWNUYRSDVIA-CYBMUJFWSA-N 1 0 305.378 2.940 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@@H]2C1 ZINC000376484443 277178278 /nfs/dbraw/zinc/17/82/78/277178278.db2.gz NEVOHOHBELWMAW-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000364986223 277178348 /nfs/dbraw/zinc/17/83/48/277178348.db2.gz KNOYKPPIXJRLAB-SJCJKPOMSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618449 277182990 /nfs/dbraw/zinc/18/29/90/277182990.db2.gz HJTHXBLHPTZAEL-YGRLFVJLSA-N 1 0 311.332 2.794 20 5 DFBDRO CN(C(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000542317936 430207526 /nfs/dbraw/zinc/20/75/26/430207526.db2.gz JERGIDAGPOWBAF-CYBMUJFWSA-N 1 0 319.405 2.926 20 5 DFBDRO COc1cccc(N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185195722 277455764 /nfs/dbraw/zinc/45/57/64/277455764.db2.gz LJOFWMXKOXDYIH-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000582782186 430334147 /nfs/dbraw/zinc/33/41/47/430334147.db2.gz PBVACNPDNJKCMJ-LBPRGKRZSA-N 1 0 304.394 2.622 20 5 DFBDRO C[N@H+](CCC(=O)NCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000547732589 430416120 /nfs/dbraw/zinc/41/61/20/430416120.db2.gz FHKUKUUJZKIZNF-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO Cc1cc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000568500211 430363338 /nfs/dbraw/zinc/36/33/38/430363338.db2.gz RQDCFRZPSKRMQT-ZDUSSCGKSA-N 1 0 317.389 2.507 20 5 DFBDRO COC[C@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000272678481 277591411 /nfs/dbraw/zinc/59/14/11/277591411.db2.gz MLAXKYPPVOGLCG-KBMXLJTQSA-N 1 0 322.405 2.557 20 5 DFBDRO CCC[C@@H]([NH2+]CCn1cnnc1CC)c1cccc([N+](=O)[O-])c1 ZINC000547385577 430389853 /nfs/dbraw/zinc/38/98/53/430389853.db2.gz XREBIXPFWDKVNW-OAHLLOKOSA-N 1 0 317.393 2.880 20 5 DFBDRO CCO[C@H]1C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973566 430446238 /nfs/dbraw/zinc/44/62/38/430446238.db2.gz SBOBNXDXSLSKKT-KBPBESRZSA-N 1 0 319.386 2.985 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584106129 430459339 /nfs/dbraw/zinc/45/93/39/430459339.db2.gz PWABLPHEFLUPCC-STQMWFEESA-N 1 0 307.394 2.543 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)C1 ZINC000570031059 430506372 /nfs/dbraw/zinc/50/63/72/430506372.db2.gz AGIRUIWOQRJTGA-GFCCVEGCSA-N 1 0 321.377 2.586 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596309827 430513070 /nfs/dbraw/zinc/51/30/70/430513070.db2.gz XQCNWSDBIYPCQH-CQSZACIVSA-N 1 0 314.389 3.428 20 5 DFBDRO C[C@@H](CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[NH+](C)C ZINC000596433227 430514298 /nfs/dbraw/zinc/51/42/98/430514298.db2.gz SJJDKPHNKZHZCS-NSHDSACASA-N 1 0 320.418 3.470 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000554375742 430634882 /nfs/dbraw/zinc/63/48/82/430634882.db2.gz WETVRYXKDSWYBP-NQBHXWOUSA-N 1 0 309.341 2.792 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000555313321 430665629 /nfs/dbraw/zinc/66/56/29/430665629.db2.gz AIAMOPAKYKVRMT-WWGRRREGSA-N 1 0 319.405 2.543 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)C(C)(C)C1 ZINC000555534053 430669496 /nfs/dbraw/zinc/66/94/96/430669496.db2.gz NPIQMTDHZKAIQB-UHFFFAOYSA-N 1 0 319.405 2.686 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000572302545 430681075 /nfs/dbraw/zinc/68/10/75/430681075.db2.gz IFCMLLKMMSAGKU-CXAGYDPISA-N 1 0 324.384 2.828 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331593813 278031654 /nfs/dbraw/zinc/03/16/54/278031654.db2.gz YESQJILVRIOHPN-CYBMUJFWSA-N 1 0 317.389 2.685 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000281799386 278176305 /nfs/dbraw/zinc/17/63/05/278176305.db2.gz YGAQGVQMNMGQMB-KGLIPLIRSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000161801817 278253953 /nfs/dbraw/zinc/25/39/53/278253953.db2.gz UUKFROLTCGUAJE-LBPRGKRZSA-N 1 0 306.362 2.931 20 5 DFBDRO NC(=O)C1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000572808879 430697131 /nfs/dbraw/zinc/69/71/31/430697131.db2.gz WXGUJJPBKWAHGL-ZUEPYMLJSA-N 1 0 317.389 2.606 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000296251991 288061830 /nfs/dbraw/zinc/06/18/30/288061830.db2.gz CXOCNJFDYCTILK-GAFUQQFSSA-N 1 0 302.321 2.958 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185422100 279305480 /nfs/dbraw/zinc/30/54/80/279305480.db2.gz AJBJZQIFPCEMJI-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000237506031 279492729 /nfs/dbraw/zinc/49/27/29/279492729.db2.gz DOUSRSHQGTYHSQ-NSHDSACASA-N 1 0 314.345 2.936 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000376259890 279997093 /nfs/dbraw/zinc/99/70/93/279997093.db2.gz IDVGJMOHZLEUOM-JQWIXIFHSA-N 1 0 311.332 2.936 20 5 DFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292767882 280567539 /nfs/dbraw/zinc/56/75/39/280567539.db2.gz WPSRNAOSMGTBQO-ZDUSSCGKSA-N 1 0 307.369 2.964 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000272502269 281021826 /nfs/dbraw/zinc/02/18/26/281021826.db2.gz NYTNJVIAGGWGNW-ZFWWWQNUSA-N 1 0 317.389 2.661 20 5 DFBDRO Cc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364099500 281230521 /nfs/dbraw/zinc/23/05/21/281230521.db2.gz VCQPVKOTPPOLMY-SOUVJXGZSA-N 1 0 301.390 2.824 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561290 288314049 /nfs/dbraw/zinc/31/40/49/288314049.db2.gz IMVIKHMPGLXERZ-WCQYABFASA-N 1 0 320.349 2.566 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361515967 289068658 /nfs/dbraw/zinc/06/86/58/289068658.db2.gz MYPOYZQPEPDVLX-CABCVRRESA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@@H]([NH3+])CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415690558 289120478 /nfs/dbraw/zinc/12/04/78/289120478.db2.gz FCKOCWVAOFIPAY-SNVBAGLBSA-N 1 0 308.382 2.751 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415691137 289120664 /nfs/dbraw/zinc/12/06/64/289120664.db2.gz FRWNBAHEJGJRJN-UHFFFAOYSA-N 1 0 320.393 2.720 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415699659 289121368 /nfs/dbraw/zinc/12/13/68/289121368.db2.gz JVUILEMGHPGJCQ-UHFFFAOYSA-N 1 0 320.393 2.766 20 5 DFBDRO CC(C)([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415702278 289121467 /nfs/dbraw/zinc/12/14/67/289121467.db2.gz PQQLZYIBFJYASH-UHFFFAOYSA-N 1 0 308.382 2.751 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415757287 289131256 /nfs/dbraw/zinc/13/12/56/289131256.db2.gz GAVQLYKNESYMAR-UHFFFAOYSA-N 1 0 308.382 2.606 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415761833 289131960 /nfs/dbraw/zinc/13/19/60/289131960.db2.gz MCWXVLYGKAEVQE-HNNXBMFYSA-N 1 0 320.393 2.796 20 5 DFBDRO COC[C@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000272678478 293109688 /nfs/dbraw/zinc/10/96/88/293109688.db2.gz MLAXKYPPVOGLCG-BPUTZDHNSA-N 1 0 322.405 2.557 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000436391953 297001018 /nfs/dbraw/zinc/00/10/18/297001018.db2.gz ZQDYCMPXQXKKRL-UHFFFAOYSA-N 1 0 318.299 2.541 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000436401780 297001322 /nfs/dbraw/zinc/00/13/22/297001322.db2.gz XQWXOLKILSFRQF-JTQLQIEISA-N 1 0 318.299 2.761 20 5 DFBDRO COc1cccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000262066677 295304585 /nfs/dbraw/zinc/30/45/85/295304585.db2.gz FNTWQIJWJMHBPN-ZDUSSCGKSA-N 1 0 305.378 2.572 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1 ZINC000156384095 295335481 /nfs/dbraw/zinc/33/54/81/295335481.db2.gz OMOIMLRWAPRLAP-KRWDZBQOSA-N 1 0 313.357 2.686 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411969169 295572153 /nfs/dbraw/zinc/57/21/53/295572153.db2.gz LGCFCXGPYGCEOM-BDJLRTHQSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488684 297095270 /nfs/dbraw/zinc/09/52/70/297095270.db2.gz HRQHDBOYRMUTIO-STQMWFEESA-N 1 0 305.378 2.900 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)c1 ZINC000440650043 297160662 /nfs/dbraw/zinc/16/06/62/297160662.db2.gz UBCHITUDUBWFLQ-UHFFFAOYSA-N 1 0 314.267 2.669 20 5 DFBDRO COc1ccc(OCC[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441172020 297174193 /nfs/dbraw/zinc/17/41/93/297174193.db2.gz GYTINSBBOZJEAI-STQMWFEESA-N 1 0 308.378 2.960 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC2([S@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000441372149 297181644 /nfs/dbraw/zinc/18/16/44/297181644.db2.gz BLPWUHKBEJDDIO-NRFANRHFSA-N 1 0 310.419 2.719 20 5 DFBDRO C[N@H+](CCC1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444655802 297243753 /nfs/dbraw/zinc/24/37/53/297243753.db2.gz YICBMMCRPJTZOK-UHFFFAOYSA-N 1 0 318.377 2.720 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000444768577 297249777 /nfs/dbraw/zinc/24/97/77/297249777.db2.gz UVSBMMPKHGKRMO-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO COCC[N@H+](C)CCCNc1c(C)cc([N+](=O)[O-])cc1Cl ZINC000444834803 297253416 /nfs/dbraw/zinc/25/34/16/297253416.db2.gz LWEHKNIHRSEYOQ-UHFFFAOYSA-N 1 0 315.801 2.937 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000446021918 297273866 /nfs/dbraw/zinc/27/38/66/297273866.db2.gz SBHOGPHAVQFUCO-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000446829300 297287475 /nfs/dbraw/zinc/28/74/75/297287475.db2.gz GGBVIMOKXNKVDE-TURNYIBQSA-N 1 0 318.377 2.620 20 5 DFBDRO CC[C@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446832508 297287739 /nfs/dbraw/zinc/28/77/39/297287739.db2.gz BRHDZZJLUAZZMQ-AAEUAGOBSA-N 1 0 318.377 2.766 20 5 DFBDRO CC(C)(C)OC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000446852693 297288934 /nfs/dbraw/zinc/28/89/34/297288934.db2.gz LMVGRYCXXUUCKL-UHFFFAOYSA-N 1 0 318.377 2.907 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CCOCC2)n1 ZINC000447533229 297306856 /nfs/dbraw/zinc/30/68/56/297306856.db2.gz ZQFAHDGOCOSBEM-CABCVRRESA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cn2)n1 ZINC000447589827 297309632 /nfs/dbraw/zinc/30/96/32/297309632.db2.gz ZCKOGHOBPJSMPN-KGLIPLIRSA-N 1 0 319.340 2.599 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CC(F)(F)C2)n1 ZINC000447597180 297309982 /nfs/dbraw/zinc/30/99/82/297309982.db2.gz FQMKFZXTENIPCX-WDEREUQCSA-N 1 0 300.309 2.662 20 5 DFBDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000447599158 297310352 /nfs/dbraw/zinc/31/03/52/297310352.db2.gz WZAUIILOUKBSPD-MCIONIFRSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834008 297319546 /nfs/dbraw/zinc/31/95/46/297319546.db2.gz VLNZJVGFWKYOAO-HOCLYGCPSA-N 1 0 322.405 2.989 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447895067 297324314 /nfs/dbraw/zinc/32/43/14/297324314.db2.gz AFRSFUXTIIQWJC-MRXNPFEDSA-N 1 0 321.421 2.813 20 5 DFBDRO C[C@H](Cc1coc2ccccc12)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000449194112 297421041 /nfs/dbraw/zinc/42/10/41/297421041.db2.gz OHRQOOIBKXXXQN-GFCCVEGCSA-N 1 0 314.345 2.758 20 5 DFBDRO COCc1nc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000449332404 297447494 /nfs/dbraw/zinc/44/74/94/297447494.db2.gz DCNRTMXTWSZDJD-NSHDSACASA-N 1 0 321.402 2.919 20 5 DFBDRO CC[C@@](C)(C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000449472146 297474676 /nfs/dbraw/zinc/47/46/76/297474676.db2.gz FAZJTLWRHDYFCJ-HNNXBMFYSA-N 1 0 312.366 2.517 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449740084 297523378 /nfs/dbraw/zinc/52/33/78/297523378.db2.gz DSXFKKBUGGQTCN-RBOXIYTFSA-N 1 0 317.389 2.948 20 5 DFBDRO COc1cccnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449747617 297526292 /nfs/dbraw/zinc/52/62/92/297526292.db2.gz JQRMGRNERPRHMC-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000451475768 297811238 /nfs/dbraw/zinc/81/12/38/297811238.db2.gz DDKZTHVALZKPOT-BMFZPTHFSA-N 1 0 320.389 2.897 20 5 DFBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451634332 297848427 /nfs/dbraw/zinc/84/84/27/297848427.db2.gz UFXKJYZFRCBXMH-HUUCEWRRSA-N 1 0 317.345 2.907 20 5 DFBDRO CC[C@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452837101 298033396 /nfs/dbraw/zinc/03/33/96/298033396.db2.gz DVGGNPMVYWUZCS-GDBMZVCRSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@H](Cc1cnccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000453157222 298067529 /nfs/dbraw/zinc/06/75/29/298067529.db2.gz YKPPRHPJILOSON-CQSZACIVSA-N 1 0 314.389 2.928 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453286813 298080394 /nfs/dbraw/zinc/08/03/94/298080394.db2.gz IKDNBTLFCBCBIG-IVMMDQJWSA-N 1 0 308.378 2.605 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453301934 298081579 /nfs/dbraw/zinc/08/15/79/298081579.db2.gz YEGSZNPAUUUNPT-BPUTZDHNSA-N 1 0 308.378 2.687 20 5 DFBDRO Cc1ccncc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453319972 298083281 /nfs/dbraw/zinc/08/32/81/298083281.db2.gz FGEVYLXRRNVPCG-GJZGRUSLSA-N 1 0 315.377 2.768 20 5 DFBDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000453626116 298106985 /nfs/dbraw/zinc/10/69/85/298106985.db2.gz SAEWRXFFFNEKJD-UHFFFAOYSA-N 1 0 302.378 2.987 20 5 DFBDRO Cc1c(NC(=O)NC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000454192765 298133628 /nfs/dbraw/zinc/13/36/28/298133628.db2.gz BZRLUNXXIMFKLZ-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1c(NC(=O)NCCCC[N@@H+](C)C2CC2)cccc1[N+](=O)[O-] ZINC000454205121 298135930 /nfs/dbraw/zinc/13/59/30/298135930.db2.gz SSEGGTYFFGGEMK-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000457053181 298633009 /nfs/dbraw/zinc/63/30/09/298633009.db2.gz OXACXLJYEUWKBE-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO CCC[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000499643581 300202978 /nfs/dbraw/zinc/20/29/78/300202978.db2.gz ZWZWSXFBZFLDMP-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccco1 ZINC000500061815 300205001 /nfs/dbraw/zinc/20/50/01/300205001.db2.gz RJCSHZVVSNPPCM-LBPRGKRZSA-N 1 0 317.345 2.737 20 5 DFBDRO O=c1c([N+](=O)[O-])cc2c(n1CCC[NH+]1CCCCC1)CCCC2 ZINC000514859710 300275994 /nfs/dbraw/zinc/27/59/94/300275994.db2.gz CQPIGVXFRJWIJB-UHFFFAOYSA-N 1 0 319.405 2.511 20 5 DFBDRO O=c1c2cc([N+](=O)[O-])ccc2ccn1CCC[NH+]1CCCCC1 ZINC000516770457 300359357 /nfs/dbraw/zinc/35/93/57/300359357.db2.gz LETQWHRIIOGEBQ-UHFFFAOYSA-N 1 0 315.373 2.786 20 5 DFBDRO C[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCC2)O1 ZINC000516925081 300369291 /nfs/dbraw/zinc/36/92/91/300369291.db2.gz GBLDULHZTNFZCD-LLVKDONJSA-N 1 0 317.345 2.879 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000518773280 300432325 /nfs/dbraw/zinc/43/23/25/300432325.db2.gz FUIFEPUGVXIIGA-GHMZBOCLSA-N 1 0 307.394 2.748 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000521845503 300537780 /nfs/dbraw/zinc/53/77/80/300537780.db2.gz QTNZTTYJEWDRSL-WMLDXEAASA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000530411898 301046080 /nfs/dbraw/zinc/04/60/80/301046080.db2.gz VESLZLMOMRFJIM-KHMAMNHCSA-N 1 0 322.409 2.821 20 5 DFBDRO CCC(=O)c1ccc(NC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000530475010 301050378 /nfs/dbraw/zinc/05/03/78/301050378.db2.gz CSFGPEYMJKDBTB-LBPRGKRZSA-N 1 0 305.378 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000531911428 301118303 /nfs/dbraw/zinc/11/83/03/301118303.db2.gz QLUGETKFOJBEJJ-HOTGVXAUSA-N 1 0 305.378 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCOCC1(C)C ZINC000532215043 301137095 /nfs/dbraw/zinc/13/70/95/301137095.db2.gz HGKSJVZCTNBWQJ-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCCCC1=O ZINC000532231112 301138386 /nfs/dbraw/zinc/13/83/86/301138386.db2.gz CIBLXBOPMUNDED-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279276 301141999 /nfs/dbraw/zinc/14/19/99/301141999.db2.gz BMACDAFSPSGMNK-OLZOCXBDSA-N 1 0 304.346 2.690 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532648640 301165426 /nfs/dbraw/zinc/16/54/26/301165426.db2.gz PLKZEOKBOIFMHC-KBPBESRZSA-N 1 0 318.373 2.998 20 5 DFBDRO COC(C)(C)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533023355 301182492 /nfs/dbraw/zinc/18/24/92/301182492.db2.gz IXQBGADXUNHDMK-LBPRGKRZSA-N 1 0 323.393 2.587 20 5 DFBDRO COC(C)(C)C[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533023354 301182600 /nfs/dbraw/zinc/18/26/00/301182600.db2.gz IXQBGADXUNHDMK-GFCCVEGCSA-N 1 0 323.393 2.587 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000533295424 301194825 /nfs/dbraw/zinc/19/48/25/301194825.db2.gz ZHKRNPNMEZFUKS-WDEREUQCSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000537979238 301315060 /nfs/dbraw/zinc/31/50/60/301315060.db2.gz YTUGVSGTWAOELP-QWHCGFSZSA-N 1 0 305.378 2.563 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000559901370 301878678 /nfs/dbraw/zinc/87/86/78/301878678.db2.gz NLTAMAPTWCSXIU-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000562832407 302007637 /nfs/dbraw/zinc/00/76/37/302007637.db2.gz CKODTEHSOZODRM-OLZOCXBDSA-N 1 0 307.369 2.868 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562949131 302016542 /nfs/dbraw/zinc/01/65/42/302016542.db2.gz HFRKDLGNAIFBLD-KBPBESRZSA-N 1 0 319.405 2.812 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418080 302070291 /nfs/dbraw/zinc/07/02/91/302070291.db2.gz SXESEZYXQJBUDC-IUODEOHRSA-N 1 0 319.405 2.724 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)c1ccccc1 ZINC000563898212 302107566 /nfs/dbraw/zinc/10/75/66/302107566.db2.gz FGSVEFXNVCLGKN-YOEHRIQHSA-N 1 0 312.369 2.948 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000564076762 302117242 /nfs/dbraw/zinc/11/72/42/302117242.db2.gz GHYZBVAZHRCNFB-KBXCAEBGSA-N 1 0 314.385 2.892 20 5 DFBDRO CC[C@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000564202982 302122652 /nfs/dbraw/zinc/12/26/52/302122652.db2.gz AKYZDDXWTNOZIP-RBSFLKMASA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncccn1 ZINC000564740634 302155752 /nfs/dbraw/zinc/15/57/52/302155752.db2.gz PEFLIDKNYYHQMM-ZFWWWQNUSA-N 1 0 312.373 2.886 20 5 DFBDRO COCC1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566222349 302268406 /nfs/dbraw/zinc/26/84/06/302268406.db2.gz VJFUPRGVTVGJET-KBPBESRZSA-N 1 0 322.409 2.681 20 5 DFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCC[NH2+]CC1 ZINC000566865244 302318736 /nfs/dbraw/zinc/31/87/36/302318736.db2.gz BGHOSFUUNVWBCS-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000567792717 302389552 /nfs/dbraw/zinc/38/95/52/302389552.db2.gz OFYCCURHBNZCBL-RHSMWYFYSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000567792718 302389667 /nfs/dbraw/zinc/38/96/67/302389667.db2.gz OFYCCURHBNZCBL-WMLDXEAASA-N 1 0 320.389 2.865 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567892641 302397082 /nfs/dbraw/zinc/39/70/82/302397082.db2.gz AXKPXCXTCKDARX-IIAWOOMASA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568150720 302421455 /nfs/dbraw/zinc/42/14/55/302421455.db2.gz SHSVHZLURLHTIV-UHFFFAOYSA-N 1 0 317.389 2.555 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCOC1 ZINC000572201337 302648476 /nfs/dbraw/zinc/64/84/76/302648476.db2.gz BUWMSCQBGNAYDB-YPMHNXCESA-N 1 0 303.362 2.633 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000572302546 302654414 /nfs/dbraw/zinc/65/44/14/302654414.db2.gz IFCMLLKMMSAGKU-DYVFJYSZSA-N 1 0 324.384 2.828 20 5 DFBDRO COCCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000179343718 316007227 /nfs/dbraw/zinc/00/72/27/316007227.db2.gz CDDQZSIKHSHGJU-OAHLLOKOSA-N 1 0 308.378 2.531 20 5 DFBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181892923 316077099 /nfs/dbraw/zinc/07/70/99/316077099.db2.gz XKZKVBRPLVYRRU-GJZGRUSLSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181947692 316079151 /nfs/dbraw/zinc/07/91/51/316079151.db2.gz TYIDGQHLVAOKDO-KBPBESRZSA-N 1 0 310.394 2.703 20 5 DFBDRO COc1ccc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC000182048246 316083109 /nfs/dbraw/zinc/08/31/09/316083109.db2.gz WVOMOYUALPGKPO-MRXNPFEDSA-N 1 0 318.377 2.787 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000182194819 316088850 /nfs/dbraw/zinc/08/88/50/316088850.db2.gz LBKZDUKXPMJVQK-HNNXBMFYSA-N 1 0 322.405 2.989 20 5 DFBDRO CCOC(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000182195968 316088910 /nfs/dbraw/zinc/08/89/10/316088910.db2.gz WWKFEMWTPMTYEO-UHFFFAOYSA-N 1 0 318.329 2.697 20 5 DFBDRO CCOc1cccc(N2CC[C@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000183153635 316132354 /nfs/dbraw/zinc/13/23/54/316132354.db2.gz ROGSUUHTAGEQIM-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO CCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000184908823 316177149 /nfs/dbraw/zinc/17/71/49/316177149.db2.gz KCMGUQQRLLVDBS-OAHLLOKOSA-N 1 0 307.394 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316485155 316245441 /nfs/dbraw/zinc/24/54/41/316245441.db2.gz XEIREMWNBMPNLY-IRXDYDNUSA-N 1 0 303.406 2.744 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000319424325 316251227 /nfs/dbraw/zinc/25/12/27/316251227.db2.gz FZWBCGAWDROFAL-CVEARBPZSA-N 1 0 307.369 2.840 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](CO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000353517724 316529449 /nfs/dbraw/zinc/52/94/49/316529449.db2.gz YTZBZBZSLHNOLI-BLLLJJGKSA-N 1 0 304.390 2.925 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)o2)cc1 ZINC000414779810 316652500 /nfs/dbraw/zinc/65/25/00/316652500.db2.gz ATXCCGQWPFACNL-CJNGLKHVSA-N 1 0 313.357 2.649 20 5 DFBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414796740 316661125 /nfs/dbraw/zinc/66/11/25/316661125.db2.gz HZOZWMYZCHSGKP-OAHLLOKOSA-N 1 0 301.346 2.682 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC1CC[NH+](C)CC1 ZINC000421754234 316758820 /nfs/dbraw/zinc/75/88/20/316758820.db2.gz AZXPOFNGWLFWMZ-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000423957447 316785202 /nfs/dbraw/zinc/78/52/02/316785202.db2.gz VSRXTOYRPGSTPK-ZDUSSCGKSA-N 1 0 321.402 2.913 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449557495 317043086 /nfs/dbraw/zinc/04/30/86/317043086.db2.gz UTXHLSDJEVXVLV-KFWWJZLASA-N 1 0 320.389 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)c(F)c1 ZINC000449558108 317044521 /nfs/dbraw/zinc/04/45/21/317044521.db2.gz VUTHZIUQLRNAOL-TYNCELHUSA-N 1 0 308.353 2.717 20 5 DFBDRO C[C@@H](Cc1cnccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000453202674 317168651 /nfs/dbraw/zinc/16/86/51/317168651.db2.gz ZDACJTNTSKYFEO-NSHDSACASA-N 1 0 320.780 2.802 20 5 DFBDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000453293757 317177617 /nfs/dbraw/zinc/17/76/17/317177617.db2.gz PWBRPJCQYCFCBW-CABCVRRESA-N 1 0 315.377 2.768 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488074906 317364940 /nfs/dbraw/zinc/36/49/40/317364940.db2.gz JVQWRBPTBPNFCZ-DOMZBBRYSA-N 1 0 314.389 2.706 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000572757570 318002595 /nfs/dbraw/zinc/00/25/95/318002595.db2.gz PNFZCJIDIAATOR-CJNGLKHVSA-N 1 0 320.389 2.993 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000574560012 318024442 /nfs/dbraw/zinc/02/44/42/318024442.db2.gz OWJHXGNOCMEIHW-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000575803050 318083998 /nfs/dbraw/zinc/08/39/98/318083998.db2.gz AQYVBIPNZIUSRT-ZAQWFSBCSA-N 1 0 316.405 2.796 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2nccs2)n1 ZINC000575867600 318088302 /nfs/dbraw/zinc/08/83/02/318088302.db2.gz CGGNHDSXCIYFQJ-RYUDHWBXSA-N 1 0 321.406 2.564 20 5 DFBDRO C[C@H](C(=O)NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000576358479 318121030 /nfs/dbraw/zinc/12/10/30/318121030.db2.gz MNWMXELYZQMOQF-ZDUSSCGKSA-N 1 0 319.405 2.689 20 5 DFBDRO CNc1ccc(-c2nc(C3([NH3+])CCCCC3)no2)cc1[N+](=O)[O-] ZINC000576507814 318130755 /nfs/dbraw/zinc/13/07/55/318130755.db2.gz SHXCBEXOMLSYKD-UHFFFAOYSA-N 1 0 317.349 2.805 20 5 DFBDRO CC(C)C1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000576864609 318155536 /nfs/dbraw/zinc/15/55/36/318155536.db2.gz XFFHJGIKNJANFC-UHFFFAOYSA-N 1 0 305.378 2.949 20 5 DFBDRO CC1(C)CC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000577505335 318197793 /nfs/dbraw/zinc/19/77/93/318197793.db2.gz HIABXCBWVOWKSN-GFCCVEGCSA-N 1 0 302.334 2.923 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000578083210 318236907 /nfs/dbraw/zinc/23/69/07/318236907.db2.gz OXPQNFJEJOMQGS-CYBMUJFWSA-N 1 0 319.405 2.914 20 5 DFBDRO CC(C)[NH2+]CCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000578441470 318261129 /nfs/dbraw/zinc/26/11/29/318261129.db2.gz XPZFCXGMFTUEPN-UHFFFAOYSA-N 1 0 321.402 2.927 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnn1C ZINC000579521390 318336194 /nfs/dbraw/zinc/33/61/94/318336194.db2.gz VKSKHDFEMJUZPL-LLVKDONJSA-N 1 0 313.361 2.703 20 5 DFBDRO C[NH2+]CCS[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580070274 318373203 /nfs/dbraw/zinc/37/32/03/318373203.db2.gz XWOCKMKESHPRCB-MRVPVSSYSA-N 1 0 317.798 2.528 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192631137 323244472 /nfs/dbraw/zinc/24/44/72/323244472.db2.gz XBLBIDLBFJJAOK-KMFMINBZSA-N 1 0 322.405 2.845 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000386378293 323317902 /nfs/dbraw/zinc/31/79/02/323317902.db2.gz RDVSXXXIXOYGNW-OAHLLOKOSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000389992139 323340361 /nfs/dbraw/zinc/34/03/61/323340361.db2.gz FSLXNMFQNTYMED-HUUCEWRRSA-N 1 0 319.405 2.710 20 5 DFBDRO Cc1cc(NC[C@H](CO)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000394028423 323349426 /nfs/dbraw/zinc/34/94/26/323349426.db2.gz ILBGQQABKXVWHE-GFCCVEGCSA-N 1 0 303.362 2.550 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396338762 323353247 /nfs/dbraw/zinc/35/32/47/323353247.db2.gz WWHMYCPGSBQDGB-UHFFFAOYSA-N 1 0 318.295 2.920 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CF)CCC1 ZINC000580329034 323371794 /nfs/dbraw/zinc/37/17/94/323371794.db2.gz ZNDORLFPNVLBBT-NSHDSACASA-N 1 0 309.341 2.794 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC2(CC[NH2+]C2)CC1 ZINC000580414402 323382049 /nfs/dbraw/zinc/38/20/49/323382049.db2.gz SIQWTMBTSGSQQW-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581246858 323495816 /nfs/dbraw/zinc/49/58/16/323495816.db2.gz RJEDEHZHOZJCRB-KFWWJZLASA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1ncccc1F ZINC000582677537 323716967 /nfs/dbraw/zinc/71/69/67/323716967.db2.gz RTWWRRJEXCAGAF-AWEZNQCLSA-N 1 0 317.320 2.785 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccn(C)n1 ZINC000582951862 323767323 /nfs/dbraw/zinc/76/73/23/323767323.db2.gz QGHJQHVQBACVLT-NSHDSACASA-N 1 0 313.361 2.703 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583035960 323784460 /nfs/dbraw/zinc/78/44/60/323784460.db2.gz ZKLMLSCYBCYFLC-CYBMUJFWSA-N 1 0 305.378 2.526 20 5 DFBDRO COC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000583716542 323902110 /nfs/dbraw/zinc/90/21/10/323902110.db2.gz HQDPCSRKJYGBGD-INIZCTEOSA-N 1 0 305.378 2.879 20 5 DFBDRO [NH3+][C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)C1CC1 ZINC000179572552 337170308 /nfs/dbraw/zinc/17/03/08/337170308.db2.gz MWSAHIXCFGQADF-KRWDZBQOSA-N 1 0 305.381 2.855 20 5 DFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178597821 500784166 /nfs/dbraw/zinc/78/41/66/500784166.db2.gz BNIJTXCCBNAGTG-LLVKDONJSA-N 1 0 319.386 2.634 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000305863153 533825858 /nfs/dbraw/zinc/82/58/58/533825858.db2.gz YSGJGPODTXAOQK-RHSMWYFYSA-N 1 0 320.389 2.730 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000331997207 533971144 /nfs/dbraw/zinc/97/11/44/533971144.db2.gz BJIQZJXTVBCRQP-HIFRSBDPSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@@H]1[NH+](C)C ZINC000302223713 533978892 /nfs/dbraw/zinc/97/88/92/533978892.db2.gz NOIIVJIECPKLMJ-CABZTGNLSA-N 1 0 315.320 2.583 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000302078517 534246295 /nfs/dbraw/zinc/24/62/95/534246295.db2.gz IBPNFRMUTWRKFD-LBPRGKRZSA-N 1 0 321.377 2.668 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000299651857 534341205 /nfs/dbraw/zinc/34/12/05/534341205.db2.gz OUSDOCRTEIAKEB-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000248880911 519782026 /nfs/dbraw/zinc/78/20/26/519782026.db2.gz DFBLYXDZOOMCJF-WFASDCNBSA-N 1 0 308.378 2.585 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCOC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000365051439 520696190 /nfs/dbraw/zinc/69/61/90/520696190.db2.gz HLQNLZJWBZDYFG-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347608 523828652 /nfs/dbraw/zinc/82/86/52/523828652.db2.gz KFLSDKKNQAFSAX-GOEBONIOSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000364227241 524463828 /nfs/dbraw/zinc/46/38/28/524463828.db2.gz PDNFDJZGLPIENI-UHFFFAOYSA-N 1 0 320.389 2.675 20 5 DFBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000237757287 524527648 /nfs/dbraw/zinc/52/76/48/524527648.db2.gz VLMROMQATQEGRQ-ZDUSSCGKSA-N 1 0 305.381 2.822 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000294965343 534797276 /nfs/dbraw/zinc/79/72/76/534797276.db2.gz FCHPMPCDOZOBHZ-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000317198492 534810493 /nfs/dbraw/zinc/81/04/93/534810493.db2.gz LBWLUNUIAQVDJU-QWRGUYRKSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364884797 524906828 /nfs/dbraw/zinc/90/68/28/524906828.db2.gz GXVBLXLLHOUBOQ-KKUMJFAQSA-N 1 0 301.390 2.824 20 5 DFBDRO C[C@H]1[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368814312 525001947 /nfs/dbraw/zinc/00/19/47/525001947.db2.gz QLLROVONTPOYJL-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364230141 525563678 /nfs/dbraw/zinc/56/36/78/525563678.db2.gz ZJYRLLZSUUFISA-UHFFFAOYSA-N 1 0 320.389 2.675 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1O ZINC000330700181 526732167 /nfs/dbraw/zinc/73/21/67/526732167.db2.gz GQKRDNLVDMNLCS-HOTGVXAUSA-N 1 0 306.406 2.866 20 5 DFBDRO Cc1n[nH]c(C2CC[NH+]([C@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000364110432 526784612 /nfs/dbraw/zinc/78/46/12/526784612.db2.gz IHJOFSNNGHNZAA-LLVKDONJSA-N 1 0 315.377 2.962 20 5 DFBDRO CC(=O)c1ccc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000299639478 527315864 /nfs/dbraw/zinc/31/58/64/527315864.db2.gz HTJZUGDHBUNKAO-UHFFFAOYSA-N 1 0 305.378 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000369004882 527365524 /nfs/dbraw/zinc/36/55/24/527365524.db2.gz RUOVLCRCCFIYKA-XJKSGUPXSA-N 1 0 305.378 2.508 20 5 DFBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000365094981 527408543 /nfs/dbraw/zinc/40/85/43/527408543.db2.gz YDYDBYJZRHABAL-DZGCQCFKSA-N 1 0 323.780 2.592 20 5 DFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000364907669 527410178 /nfs/dbraw/zinc/41/01/78/527410178.db2.gz RTLXOTYUCIRNKL-UHFFFAOYSA-N 1 0 319.409 2.841 20 5 DFBDRO CCC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000298180349 528033838 /nfs/dbraw/zinc/03/38/38/528033838.db2.gz ROMNVMLDMBJHCD-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO CC[NH+](CC)CCCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000317308240 528114679 /nfs/dbraw/zinc/11/46/79/528114679.db2.gz AJIPWFPTDRFXLY-UHFFFAOYSA-N 1 0 309.366 2.525 20 5 DFBDRO CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1Cl ZINC000294985092 528134669 /nfs/dbraw/zinc/13/46/69/528134669.db2.gz GMKOLAYAEZGAJP-UHFFFAOYSA-N 1 0 313.785 2.628 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](C2CC2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000292921564 528283170 /nfs/dbraw/zinc/28/31/70/528283170.db2.gz BUDFDORYSIASOK-MRXNPFEDSA-N 1 0 322.405 2.880 20 5 DFBDRO CCOc1cc(N2CCC(CC[NH2+]C)CC2)ccc1[N+](=O)[O-] ZINC000315809103 528309318 /nfs/dbraw/zinc/30/93/18/528309318.db2.gz QXUFZZRSHZVQAP-UHFFFAOYSA-N 1 0 307.394 2.819 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000299305196 528462469 /nfs/dbraw/zinc/46/24/69/528462469.db2.gz HQQGLTMBWGIIPW-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296758558 529350495 /nfs/dbraw/zinc/35/04/95/529350495.db2.gz BPJXHGUZTXZEER-VIIAAUOXSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(C)C[N@@H+](CCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000358272653 535054239 /nfs/dbraw/zinc/05/42/39/535054239.db2.gz IOAKKAIDKQFIPQ-UHFFFAOYSA-N 1 0 316.405 2.992 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262427436 535093791 /nfs/dbraw/zinc/09/37/91/535093791.db2.gz VXUBXTUHKFDFJZ-ZFWWWQNUSA-N 1 0 319.405 2.720 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000174114810 535450492 /nfs/dbraw/zinc/45/04/92/535450492.db2.gz OFIWICQCJASAPM-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCN1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247156560 535540112 /nfs/dbraw/zinc/54/01/12/535540112.db2.gz TXXPECLTBYEBPE-IAGOWNOFSA-N 1 0 317.433 2.990 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000358081770 535804122 /nfs/dbraw/zinc/80/41/22/535804122.db2.gz IGQFWRZXWAEJHJ-MRXNPFEDSA-N 1 0 308.378 2.768 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246906752 536167929 /nfs/dbraw/zinc/16/79/29/536167929.db2.gz HZQGKEYNBWNBET-GJZGRUSLSA-N 1 0 317.389 2.602 20 5 DFBDRO CCc1nn(C)c(NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000354557213 536182040 /nfs/dbraw/zinc/18/20/40/536182040.db2.gz CKKUXPUABSOVFG-NEPJUHHUSA-N 1 0 309.414 2.566 20 5 DFBDRO C[NH2+][C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000261542129 536344630 /nfs/dbraw/zinc/34/46/30/536344630.db2.gz BVSUYTMQIKQEKP-QMMMGPOBSA-N 1 0 302.172 2.686 20 5 DFBDRO COc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000261967664 536823461 /nfs/dbraw/zinc/82/34/61/536823461.db2.gz YPJDCQPMUPTRBQ-ZDUSSCGKSA-N 1 0 323.368 2.711 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820425922 599369085 /nfs/dbraw/zinc/36/90/85/599369085.db2.gz CRUDOGHKTILJFN-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000078877815 185121810 /nfs/dbraw/zinc/12/18/10/185121810.db2.gz ORIGUUIQWOOMSV-INIZCTEOSA-N 1 0 304.321 2.866 20 5 DFBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278683526 214323348 /nfs/dbraw/zinc/32/33/48/214323348.db2.gz KAIMNAYCBDBBEM-GKABBXAVSA-N 1 0 310.419 2.719 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317333006 231161231 /nfs/dbraw/zinc/16/12/31/231161231.db2.gz XKBHLFDBVUFIRN-VXGBXAGGSA-N 1 0 323.780 2.605 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278774316 214390695 /nfs/dbraw/zinc/39/06/95/214390695.db2.gz YOXCGDBYLBPABE-JSGCOSHPSA-N 1 0 314.769 2.532 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000370160126 282171685 /nfs/dbraw/zinc/17/16/85/282171685.db2.gz FXCMMZGVFCHFKT-IAQYHMDHSA-N 1 0 312.373 2.901 20 5 DFBDRO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189174 398352306 /nfs/dbraw/zinc/35/23/06/398352306.db2.gz GMOLRLRIZKEHLW-NWDGAFQWSA-N 1 0 320.393 2.760 20 5 DFBDRO CCC[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000229955762 398355868 /nfs/dbraw/zinc/35/58/68/398355868.db2.gz SZBAYCIZDMCFBR-GFCCVEGCSA-N 1 0 309.757 2.688 20 5 DFBDRO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000596241186 398365316 /nfs/dbraw/zinc/36/53/16/398365316.db2.gz OEIYVYDNZLBOKY-LLVKDONJSA-N 1 0 324.812 2.954 20 5 DFBDRO Cc1cc(N2CCC3(C2)CC[NH+](C)CC3)c(F)cc1[N+](=O)[O-] ZINC000596238883 398364978 /nfs/dbraw/zinc/36/49/78/398364978.db2.gz QHNFFXYZPZAZEK-UHFFFAOYSA-N 1 0 307.369 2.964 20 5 DFBDRO Cc1cc(N2CCC([NH3+])CC2)c(Br)cc1[N+](=O)[O-] ZINC000235825680 398361937 /nfs/dbraw/zinc/36/19/37/398361937.db2.gz ZRJJAQGBWFRQNT-UHFFFAOYSA-N 1 0 314.183 2.593 20 5 DFBDRO C[C@@H](C[NH+](C)C)Nc1c(Br)cccc1[N+](=O)[O-] ZINC000596242357 398366166 /nfs/dbraw/zinc/36/61/66/398366166.db2.gz FMZLKBWBDOBLII-QMMMGPOBSA-N 1 0 302.172 2.719 20 5 DFBDRO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000596254336 398369187 /nfs/dbraw/zinc/36/91/87/398369187.db2.gz AZZVYMZFDNAQAI-JTQLQIEISA-N 1 0 310.785 2.564 20 5 DFBDRO CC[NH+](CC)Cc1ccc(CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000008375520 398373344 /nfs/dbraw/zinc/37/33/44/398373344.db2.gz QQRCWHJBMGLBRC-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000008350956 398372450 /nfs/dbraw/zinc/37/24/50/398372450.db2.gz MCYAAMCWNAAKBD-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(Cn3cccn3)CC2)cc1 ZINC000090473485 185298386 /nfs/dbraw/zinc/29/83/86/185298386.db2.gz ZWNBOXNVMXCNQY-UHFFFAOYSA-N 1 0 300.362 2.704 20 5 DFBDRO C[C@@H](c1ccco1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090559367 185303409 /nfs/dbraw/zinc/30/34/09/185303409.db2.gz XIPZMEYTGZERGN-LBPRGKRZSA-N 1 0 317.345 2.575 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596334508 398388206 /nfs/dbraw/zinc/38/82/06/398388206.db2.gz AQIMZICALNNUQS-NSHDSACASA-N 1 0 315.377 2.823 20 5 DFBDRO C[N@H+](Cc1ccc2c(c1)OCO2)Cc1cccc([N+](=O)[O-])c1 ZINC000015369749 398395121 /nfs/dbraw/zinc/39/51/21/398395121.db2.gz ROGQVBHCWOLLNU-UHFFFAOYSA-N 1 0 300.314 2.956 20 5 DFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000015296969 398395191 /nfs/dbraw/zinc/39/51/91/398395191.db2.gz QZAYBRWFHSMAJM-HNNXBMFYSA-N 1 0 314.341 2.867 20 5 DFBDRO COc1cc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)ccc1[N+](=O)[O-] ZINC000592182454 398398172 /nfs/dbraw/zinc/39/81/72/398398172.db2.gz AMCATVUACFGQMV-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccncc1 ZINC000181446909 199298197 /nfs/dbraw/zinc/29/81/97/199298197.db2.gz PDHHSZYSBWNURS-UHFFFAOYSA-N 1 0 301.346 2.543 20 5 DFBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](C)C1 ZINC000592212799 398403215 /nfs/dbraw/zinc/40/32/15/398403215.db2.gz KVGNGZLMTCZEES-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248583403 398406942 /nfs/dbraw/zinc/40/69/42/398406942.db2.gz PFBCIUCPPPTEGD-MGPQQGTHSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181605872 199326016 /nfs/dbraw/zinc/32/60/16/199326016.db2.gz GZVHQFIRANHBRG-OLZOCXBDSA-N 1 0 320.345 2.621 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254483 398408099 /nfs/dbraw/zinc/40/80/99/398408099.db2.gz FCSJILXRQKFETJ-VXGBXAGGSA-N 1 0 323.418 2.508 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254086 398408388 /nfs/dbraw/zinc/40/83/88/398408388.db2.gz SSXQTXXPWPAHEH-VXGBXAGGSA-N 1 0 323.418 2.508 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331414 398412792 /nfs/dbraw/zinc/41/27/92/398412792.db2.gz KDBBOLWQILRKIC-IUODEOHRSA-N 1 0 319.405 2.918 20 5 DFBDRO C[C@@H](c1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000592357033 398414945 /nfs/dbraw/zinc/41/49/45/398414945.db2.gz OZBXFXVCSJDYOV-PRHODGIISA-N 1 0 306.297 2.693 20 5 DFBDRO CC[NH+](CC)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000022704507 398420595 /nfs/dbraw/zinc/42/05/95/398420595.db2.gz VKCBMAXVLHTLDI-UHFFFAOYSA-N 1 0 321.402 2.881 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592397532 398420908 /nfs/dbraw/zinc/42/09/08/398420908.db2.gz NCEVJYKYFVUAMN-CXAGYDPISA-N 1 0 322.405 2.731 20 5 DFBDRO O=c1[nH]ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596478693 398424029 /nfs/dbraw/zinc/42/40/29/398424029.db2.gz JCSFCUNZDXHTSZ-LLVKDONJSA-N 1 0 306.366 2.514 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596477333 398424405 /nfs/dbraw/zinc/42/44/05/398424405.db2.gz XBTWMVVPSXOKLT-CYBMUJFWSA-N 1 0 320.393 2.837 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255442032 398424700 /nfs/dbraw/zinc/42/47/00/398424700.db2.gz ZPODDAIPWGCOSY-TZPOZWHTSA-N 1 0 301.390 2.777 20 5 DFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000592434649 398425270 /nfs/dbraw/zinc/42/52/70/398425270.db2.gz LJXIMVZCIHYPDR-CQSZACIVSA-N 1 0 313.348 2.757 20 5 DFBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000023991616 398426984 /nfs/dbraw/zinc/42/69/84/398426984.db2.gz VJUJXNRRKHILOQ-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000269773234 398447302 /nfs/dbraw/zinc/44/73/02/398447302.db2.gz CDOMOAOKWYLUMU-UKRRQHHQSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000026219100 398451085 /nfs/dbraw/zinc/45/10/85/398451085.db2.gz NJUYUOYVCHFVCP-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CCOCCOC1CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459459888 299111849 /nfs/dbraw/zinc/11/18/49/299111849.db2.gz KQCCFTKELXGXGC-NTEUORMPSA-N 1 0 320.389 2.735 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000296381396 530059268 /nfs/dbraw/zinc/05/92/68/530059268.db2.gz SCLZASBAVXKBJI-MRXNPFEDSA-N 1 0 318.377 2.544 20 5 DFBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000302243181 530072076 /nfs/dbraw/zinc/07/20/76/530072076.db2.gz JLJCAOMXIFBOBK-UHFFFAOYSA-N 1 0 324.400 2.562 20 5 DFBDRO Cc1ncc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000089580630 398457386 /nfs/dbraw/zinc/45/73/86/398457386.db2.gz LLBKFWGWCHSORR-LLVKDONJSA-N 1 0 316.361 2.731 20 5 DFBDRO CCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000596627175 398463990 /nfs/dbraw/zinc/46/39/90/398463990.db2.gz VXKWGTJIZVLTOB-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCn1cc(Cl)cn1 ZINC000459466285 299113973 /nfs/dbraw/zinc/11/39/73/299113973.db2.gz OUJMJDWXQKFURA-UHFFFAOYSA-N 1 0 308.769 2.619 20 5 DFBDRO CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@H]1CC[N@H+](CC)C1 ZINC000596639633 398468477 /nfs/dbraw/zinc/46/84/77/398468477.db2.gz YHCXOXOEYRIOST-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO COC[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908213 398469625 /nfs/dbraw/zinc/46/96/25/398469625.db2.gz SKJZPWCDOAWGCE-HNNXBMFYSA-N 1 0 317.345 2.861 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000596653980 398472347 /nfs/dbraw/zinc/47/23/47/398472347.db2.gz MWUXHCZPKIOGGV-MFOWVQHXSA-N 1 0 321.446 2.807 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(F)cccc1Cl ZINC000181731883 199345250 /nfs/dbraw/zinc/34/52/50/199345250.db2.gz YQHDUPQFGMBMEX-VIFPVBQESA-N 1 0 312.732 2.935 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1c(Br)cncc1[N+](=O)[O-] ZINC000227524841 201801120 /nfs/dbraw/zinc/80/11/20/201801120.db2.gz TYONETDBXCPSME-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755329 398481383 /nfs/dbraw/zinc/48/13/83/398481383.db2.gz QZOKDSYAUHUJET-CZUORRHYSA-N 1 0 319.405 2.672 20 5 DFBDRO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000068223390 398487728 /nfs/dbraw/zinc/48/77/28/398487728.db2.gz DAFBZLRUCDSAAR-CQSZACIVSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@H](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[S@](C)=O ZINC000090514577 398488399 /nfs/dbraw/zinc/48/83/99/398488399.db2.gz QPCZLCXKHFYRAO-AVKZDSLQSA-N 1 0 324.446 2.663 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000286780764 219162414 /nfs/dbraw/zinc/16/24/14/219162414.db2.gz HIHZFCCMEVQCBZ-PBHICJAKSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000030971273 398508969 /nfs/dbraw/zinc/50/89/69/398508969.db2.gz IUBHEKFAKHETML-SNVBAGLBSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000170684894 282475122 /nfs/dbraw/zinc/47/51/22/282475122.db2.gz VAVCZZNHDGSCQV-GFCCVEGCSA-N 1 0 323.418 2.665 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593013667 398520267 /nfs/dbraw/zinc/52/02/67/398520267.db2.gz RGOSGJLNFSECQE-HNNXBMFYSA-N 1 0 319.405 2.532 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000279660696 215039514 /nfs/dbraw/zinc/03/95/14/215039514.db2.gz CNHNSDCDLIPTDT-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccn2)C2CCCC2)c1 ZINC000091399990 398527550 /nfs/dbraw/zinc/52/75/50/398527550.db2.gz LJXVDPCREURKBY-INIZCTEOSA-N 1 0 315.377 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000183422485 199591952 /nfs/dbraw/zinc/59/19/52/199591952.db2.gz OYXXBDMMBNNDGW-OAHLLOKOSA-N 1 0 303.362 2.889 20 5 DFBDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000286893711 219213617 /nfs/dbraw/zinc/21/36/17/219213617.db2.gz LGXRGUSJESLGGI-DZGCQCFKSA-N 1 0 319.405 2.662 20 5 DFBDRO CCc1nn(C)cc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000589183963 398533336 /nfs/dbraw/zinc/53/33/36/398533336.db2.gz ZIDYZKLJNNSKBU-UHFFFAOYSA-N 1 0 302.378 2.565 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286902514 219217930 /nfs/dbraw/zinc/21/79/30/219217930.db2.gz CMMQIGPYJMGDRJ-XJKSGUPXSA-N 1 0 317.389 2.602 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCn2ccnc2C1 ZINC000589201739 398536627 /nfs/dbraw/zinc/53/66/27/398536627.db2.gz FICHHGAHQXEXGB-LBPRGKRZSA-N 1 0 318.352 2.625 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@H]1C ZINC000032732413 398537173 /nfs/dbraw/zinc/53/71/73/398537173.db2.gz FIQXUQIRGXNLSL-MNOVXSKESA-N 1 0 311.407 2.649 20 5 DFBDRO Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000068906123 398537361 /nfs/dbraw/zinc/53/73/61/398537361.db2.gz DSLYMTRJOMAWJI-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccccc1COc1ccc2c(c1)OCC[NH2+]C2 ZINC000319003058 398540673 /nfs/dbraw/zinc/54/06/73/398540673.db2.gz KZEZWVBJDZJDOG-UHFFFAOYSA-N 1 0 300.314 2.656 20 5 DFBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459607459 299146953 /nfs/dbraw/zinc/14/69/53/299146953.db2.gz GUUQKUBBVIDABU-MEDUHNTESA-N 1 0 305.378 2.752 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000069043902 398544346 /nfs/dbraw/zinc/54/43/46/398544346.db2.gz LAUBLFVMRQOFQA-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])cc1Br ZINC000320191194 398545816 /nfs/dbraw/zinc/54/58/16/398545816.db2.gz AGOYVXPSBUDURK-JGVFFNPUSA-N 1 0 302.172 2.895 20 5 DFBDRO C[N@H+](CCNc1ncnc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000321398484 398552732 /nfs/dbraw/zinc/55/27/32/398552732.db2.gz JGUNRKFJFUXBTM-UHFFFAOYSA-N 1 0 315.377 2.824 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321992602 398555689 /nfs/dbraw/zinc/55/56/89/398555689.db2.gz OUTBTJOAZINNQY-SWLSCSKDSA-N 1 0 318.377 2.591 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CN(CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000322374992 398557380 /nfs/dbraw/zinc/55/73/80/398557380.db2.gz BNZJABNSRMNISB-IRXDYDNUSA-N 1 0 321.421 2.746 20 5 DFBDRO CC[NH+]1CCC(CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000322426528 398557504 /nfs/dbraw/zinc/55/75/04/398557504.db2.gz ARBHCZDSBBSUNC-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO CCOC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000597114950 398569351 /nfs/dbraw/zinc/56/93/51/398569351.db2.gz DYUXNQBHFDNVMK-UHFFFAOYSA-N 1 0 318.377 2.908 20 5 DFBDRO Cc1cccc(N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593234609 398577476 /nfs/dbraw/zinc/57/74/76/398577476.db2.gz YKZBOMVOLUHLCG-OFQRWUPVSA-N 1 0 319.405 2.626 20 5 DFBDRO CC[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1C ZINC000589864894 398580333 /nfs/dbraw/zinc/58/03/33/398580333.db2.gz HVTFJUDQGDWMSI-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589939129 398584113 /nfs/dbraw/zinc/58/41/13/398584113.db2.gz RVUJZFYZUKXDOG-ZYHUDNBSSA-N 1 0 304.268 2.530 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000589939139 398584330 /nfs/dbraw/zinc/58/43/30/398584330.db2.gz UBOJQGDPTBJQEL-PWSUYJOCSA-N 1 0 304.268 2.530 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589938126 398584359 /nfs/dbraw/zinc/58/43/59/398584359.db2.gz FFODGLIZPPYNOU-WCQYABFASA-N 1 0 318.295 2.839 20 5 DFBDRO CO[C@@]1(CO)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597186737 398585129 /nfs/dbraw/zinc/58/51/29/398585129.db2.gz HWPVCBDMDLASPM-KRWDZBQOSA-N 1 0 322.405 2.692 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000287073563 219297564 /nfs/dbraw/zinc/29/75/64/219297564.db2.gz VAOHIXRAUZPMDB-YOEHRIQHSA-N 1 0 303.406 2.696 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000092650573 398588947 /nfs/dbraw/zinc/58/89/47/398588947.db2.gz XROQUIWYWCKKGH-LBPRGKRZSA-N 1 0 315.320 2.948 20 5 DFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092657399 398590777 /nfs/dbraw/zinc/59/07/77/398590777.db2.gz QMYNNVWOUZNQAF-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC000590052597 398592639 /nfs/dbraw/zinc/59/26/39/398592639.db2.gz FMJSEPOLXZWGHO-WMLDXEAASA-N 1 0 303.406 2.854 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000133651068 186003555 /nfs/dbraw/zinc/00/35/55/186003555.db2.gz MYIGUEADJWXJLQ-UWVGGRQHSA-N 1 0 323.780 2.603 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000133646881 186002750 /nfs/dbraw/zinc/00/27/50/186002750.db2.gz ROIBZVNMCGVALA-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597232767 398599106 /nfs/dbraw/zinc/59/91/06/398599106.db2.gz VWZKBGUOASCQEO-HUTFFOLGSA-N 1 0 302.374 2.966 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000133651486 186003636 /nfs/dbraw/zinc/00/36/36/186003636.db2.gz MYIGUEADJWXJLQ-VHSXEESVSA-N 1 0 323.780 2.603 20 5 DFBDRO CCOC(=O)C1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000092824676 398602360 /nfs/dbraw/zinc/60/23/60/398602360.db2.gz AZRGDHMJJIMLNS-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092828599 398602958 /nfs/dbraw/zinc/60/29/58/398602958.db2.gz FRTAKBRNLMOFFQ-AWEZNQCLSA-N 1 0 323.441 2.813 20 5 DFBDRO CCc1nn(C)c(NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092828600 398603301 /nfs/dbraw/zinc/60/33/01/398603301.db2.gz FRTAKBRNLMOFFQ-CQSZACIVSA-N 1 0 323.441 2.813 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000149111353 186047978 /nfs/dbraw/zinc/04/79/78/186047978.db2.gz ZFFLPEUAEUVHTE-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO Cc1c(NC(=O)NCC[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000043346163 398619781 /nfs/dbraw/zinc/61/97/81/398619781.db2.gz IQHAGZHHMIXTGL-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000152526069 186081979 /nfs/dbraw/zinc/08/19/79/186081979.db2.gz ZONZVWYNBVOFGX-CYBMUJFWSA-N 1 0 318.377 2.931 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698064 398630583 /nfs/dbraw/zinc/63/05/83/398630583.db2.gz MKPNKHQLDIXPLN-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO O=C(C[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000152640550 186092733 /nfs/dbraw/zinc/09/27/33/186092733.db2.gz LXIXAAXJECXHDD-PHIMTYICSA-N 1 0 323.780 2.919 20 5 DFBDRO C[NH+]1CCC2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000590568043 398631884 /nfs/dbraw/zinc/63/18/84/398631884.db2.gz VGOPQIKUQMWORL-UHFFFAOYSA-N 1 0 310.785 2.565 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414647022 295811223 /nfs/dbraw/zinc/81/12/23/295811223.db2.gz PXWDBJHUCUVEHM-WCQYABFASA-N 1 0 318.377 2.865 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173323985 186176413 /nfs/dbraw/zinc/17/64/13/186176413.db2.gz HDUPOKJONBRMST-CYBMUJFWSA-N 1 0 307.394 2.894 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000414653354 295812095 /nfs/dbraw/zinc/81/20/95/295812095.db2.gz FDRBBDXNYSIPQU-NWDGAFQWSA-N 1 0 306.366 2.542 20 5 DFBDRO CC1(C)CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000072827525 398640406 /nfs/dbraw/zinc/64/04/06/398640406.db2.gz RQKTURWYYZDDSA-UHFFFAOYSA-N 1 0 319.361 2.625 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000175643355 186184325 /nfs/dbraw/zinc/18/43/25/186184325.db2.gz VPDLQAVVVVJZBR-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO C[NH+](C)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044364603 398642038 /nfs/dbraw/zinc/64/20/38/398642038.db2.gz QPCJKYKWYUFSDR-CYBMUJFWSA-N 1 0 319.386 2.689 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072873618 398645203 /nfs/dbraw/zinc/64/52/03/398645203.db2.gz ZVQAALZLPODHQC-UTUOFQBUSA-N 1 0 321.377 2.518 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072871762 398644135 /nfs/dbraw/zinc/64/41/35/398644135.db2.gz OQHYGQJJTSIDJY-TXEJJXNPSA-N 1 0 321.377 2.520 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000194292514 186278291 /nfs/dbraw/zinc/27/82/91/186278291.db2.gz UVNWRLSMLLHNFB-UHFFFAOYSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1cc(N(C)CC[NH+]2CCCCC2)c([N+](=O)[O-])cc1F ZINC000593517960 398650623 /nfs/dbraw/zinc/65/06/23/398650623.db2.gz VVBYHKYMDWQHAU-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO Cc1c(NC(=O)NCCC[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000414692641 295816824 /nfs/dbraw/zinc/81/68/24/295816824.db2.gz CZCBPWGSLRUBMF-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000044715106 398652984 /nfs/dbraw/zinc/65/29/84/398652984.db2.gz KLRAAYLQCNQLQS-INIZCTEOSA-N 1 0 322.405 2.847 20 5 DFBDRO CC(C)C[C@H]([NH3+])CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414701044 295817615 /nfs/dbraw/zinc/81/76/15/295817615.db2.gz KQJDJAKSKQNMDR-AWEZNQCLSA-N 1 0 321.421 2.811 20 5 DFBDRO Cc1c(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414706902 295817910 /nfs/dbraw/zinc/81/79/10/295817910.db2.gz OSJJCYOMVSVHGN-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1c(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000414706898 295818023 /nfs/dbraw/zinc/81/80/23/295818023.db2.gz OSJJCYOMVSVHGN-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cc1 ZINC000459730336 299174824 /nfs/dbraw/zinc/17/48/24/299174824.db2.gz SKYOQTYSNRCSCY-HZPDHXFCSA-N 1 0 302.374 2.638 20 5 DFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@](C)(F)C2)cc1[N+](=O)[O-] ZINC000414764500 295819878 /nfs/dbraw/zinc/81/98/78/295819878.db2.gz DOLVHONKHMSIBU-INIZCTEOSA-N 1 0 309.385 2.852 20 5 DFBDRO CC1(CNc2ccc([N+](=O)[O-])c3cnccc23)CC[NH2+]CC1 ZINC000262115819 535158682 /nfs/dbraw/zinc/15/86/82/535158682.db2.gz KDRVPBLTIASVOH-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO Cc1cc(N2CC[NH+]3CCC2CC3)c2cccc([N+](=O)[O-])c2n1 ZINC000302777033 186746611 /nfs/dbraw/zinc/74/66/11/186746611.db2.gz PCUKPGCLTRRQAC-UHFFFAOYSA-N 1 0 312.373 2.736 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](CC(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000044898257 398656914 /nfs/dbraw/zinc/65/69/14/398656914.db2.gz HDZNEMLPNHNJKY-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2nccs2)n1 ZINC000331534225 233785271 /nfs/dbraw/zinc/78/52/71/233785271.db2.gz FCEBLTUSHLIDPP-QWRGUYRKSA-N 1 0 307.379 2.521 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287224952 219391068 /nfs/dbraw/zinc/39/10/68/219391068.db2.gz QIOVWMPETNBPIU-CJNGLKHVSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718886 398676194 /nfs/dbraw/zinc/67/61/94/398676194.db2.gz AGGFBLNTCOLQQV-HZPDHXFCSA-N 1 0 308.378 2.567 20 5 DFBDRO Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc([N+](=O)[O-])c1 ZINC000172831465 198155571 /nfs/dbraw/zinc/15/55/71/198155571.db2.gz WPWPZOQXDOJBAA-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172947173 198170025 /nfs/dbraw/zinc/17/00/25/198170025.db2.gz MWERGSAAMTZIMA-UTUOFQBUSA-N 1 0 303.362 2.510 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727670 398678054 /nfs/dbraw/zinc/67/80/54/398678054.db2.gz PRTZOMWHEIXTSH-KBPBESRZSA-N 1 0 319.405 2.512 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173214139 198196345 /nfs/dbraw/zinc/19/63/45/198196345.db2.gz NRMBAAJCGHTNGP-UKRRQHHQSA-N 1 0 319.405 2.706 20 5 DFBDRO C[NH+](C)CC1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000597707889 398683738 /nfs/dbraw/zinc/68/37/38/398683738.db2.gz HZQBGAWEHNOAQK-UHFFFAOYSA-N 1 0 319.405 2.526 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000590830551 398683854 /nfs/dbraw/zinc/68/38/54/398683854.db2.gz PFIUCOPITMSPTL-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO CCC[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC1 ZINC000459815308 299198804 /nfs/dbraw/zinc/19/88/04/299198804.db2.gz YAVHGXMNIWGMBN-CQSZACIVSA-N 1 0 305.378 2.752 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277121491 213307922 /nfs/dbraw/zinc/30/79/22/213307922.db2.gz FMMWIIUCMXLVDQ-JOZWUWCOSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000174123663 198295003 /nfs/dbraw/zinc/29/50/03/198295003.db2.gz VDDGPQCMTWKUAV-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000593907619 398702309 /nfs/dbraw/zinc/70/23/09/398702309.db2.gz ZSFNHWIOJTUREE-XJKSGUPXSA-N 1 0 317.389 2.603 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174363168 198325333 /nfs/dbraw/zinc/32/53/33/198325333.db2.gz VFSHIQHJJIQCPU-IUODEOHRSA-N 1 0 320.393 2.789 20 5 DFBDRO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859322 398706296 /nfs/dbraw/zinc/70/62/96/398706296.db2.gz UNYXJBKJBRBWKM-JTQLQIEISA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597859598 398706406 /nfs/dbraw/zinc/70/64/06/398706406.db2.gz VWEJESXZXUGZCE-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174875403 198396321 /nfs/dbraw/zinc/39/63/21/198396321.db2.gz AJISRDNYWXIZTD-OAHLLOKOSA-N 1 0 302.378 2.744 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176264839 198566446 /nfs/dbraw/zinc/56/64/46/198566446.db2.gz RYAZVBAOTPOGGC-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO C[NH2+]CC1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000415292055 295875662 /nfs/dbraw/zinc/87/56/62/295875662.db2.gz HDBYUNLWLGTVNJ-UHFFFAOYSA-N 1 0 320.393 2.675 20 5 DFBDRO CCCN(C(=O)CCc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236785656 202007912 /nfs/dbraw/zinc/00/79/12/202007912.db2.gz DQLKFIOPBFJWMG-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924998 398722184 /nfs/dbraw/zinc/72/21/84/398722184.db2.gz MBKRQDVALLAKHN-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597926289 398723006 /nfs/dbraw/zinc/72/30/06/398723006.db2.gz XSMHONCPTUNCTL-JTQLQIEISA-N 1 0 311.407 2.567 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])cc1F ZINC000277012557 213240255 /nfs/dbraw/zinc/24/02/55/213240255.db2.gz PTBZSYXAIFHICP-OCCSQVGLSA-N 1 0 312.341 2.790 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415483862 295886623 /nfs/dbraw/zinc/88/66/23/295886623.db2.gz NAPBLVGUJHBNIS-ZDUSSCGKSA-N 1 0 318.377 2.570 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000415505849 295888675 /nfs/dbraw/zinc/88/86/75/295888675.db2.gz QXQIPOKOULKSMT-CQSZACIVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415502782 295888259 /nfs/dbraw/zinc/88/82/59/295888259.db2.gz NWZMKUFAODDIOA-AWEZNQCLSA-N 1 0 306.366 2.542 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000287381157 219488927 /nfs/dbraw/zinc/48/89/27/219488927.db2.gz BFZKTSUTIQKGAP-IUODEOHRSA-N 1 0 318.377 2.685 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCCO1 ZINC000594042664 398729644 /nfs/dbraw/zinc/72/96/44/398729644.db2.gz MSUJQEKGOXETHV-WFASDCNBSA-N 1 0 318.377 2.908 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415584222 295891972 /nfs/dbraw/zinc/89/19/72/295891972.db2.gz SFYXAHCNPDIPTK-OLZOCXBDSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415584488 295892150 /nfs/dbraw/zinc/89/21/50/295892150.db2.gz SRGCWUHMKJVKFC-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045058 398730586 /nfs/dbraw/zinc/73/05/86/398730586.db2.gz SNYSXJVJAGZBSO-UKRRQHHQSA-N 1 0 308.378 2.911 20 5 DFBDRO CC(C)OC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130985145 283067545 /nfs/dbraw/zinc/06/75/45/283067545.db2.gz LXZZNXURAPGPOO-UHFFFAOYSA-N 1 0 306.362 2.901 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627825 295894989 /nfs/dbraw/zinc/89/49/89/295894989.db2.gz CXIQTOUHJGNODN-CQSZACIVSA-N 1 0 312.345 2.619 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594056135 398734014 /nfs/dbraw/zinc/73/40/14/398734014.db2.gz RDPLVQAXFIOTCX-LSDHHAIUSA-N 1 0 318.377 2.733 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000276975456 213213583 /nfs/dbraw/zinc/21/35/83/213213583.db2.gz FAQHRNACUQSHCA-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594103005 398743632 /nfs/dbraw/zinc/74/36/32/398743632.db2.gz RTHRJPDRSDZHKA-OKILXGFUSA-N 1 0 319.405 2.590 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC/C=C/C[NH3+])cc1[N+](=O)[O-] ZINC000591306388 398746718 /nfs/dbraw/zinc/74/67/18/398746718.db2.gz DQADIMQQRIWGAC-SNAWJCMRSA-N 1 0 306.366 2.529 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000076329624 191622787 /nfs/dbraw/zinc/62/27/87/191622787.db2.gz MXBIEAIYVPELDX-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[C@H](NC(=O)N1CCC(C)([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000591354722 398752406 /nfs/dbraw/zinc/75/24/06/398752406.db2.gz RIFBLKYLDXLNKS-AWEZNQCLSA-N 1 0 320.393 2.569 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000591430126 398759115 /nfs/dbraw/zinc/75/91/15/398759115.db2.gz WRMHRLOBSTYPIC-ZDUSSCGKSA-N 1 0 312.373 2.832 20 5 DFBDRO CC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000591435766 398760088 /nfs/dbraw/zinc/76/00/88/398760088.db2.gz VMZXAHYLMNCPSU-UHFFFAOYSA-N 1 0 312.373 2.974 20 5 DFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074767096 398765595 /nfs/dbraw/zinc/76/55/95/398765595.db2.gz XQLZSZGIWGVPHX-CQSZACIVSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204683 398765732 /nfs/dbraw/zinc/76/57/32/398765732.db2.gz WQQGADSYDXSRAK-ZBFHGGJFSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CCCC[NH+](C)C ZINC000591529828 398770269 /nfs/dbraw/zinc/77/02/69/398770269.db2.gz UXQIJQNXWRTAPQ-UHFFFAOYSA-N 1 0 307.394 2.625 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCNC1CC1 ZINC000591577311 398773138 /nfs/dbraw/zinc/77/31/38/398773138.db2.gz OUPVVBNTVHUDFE-BBRMVZONSA-N 1 0 303.406 2.648 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591677295 398780483 /nfs/dbraw/zinc/78/04/83/398780483.db2.gz GWOLOENKBGVUSH-CYBMUJFWSA-N 1 0 305.378 2.590 20 5 DFBDRO CC[C@@H](NC(=O)CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000236884037 202050896 /nfs/dbraw/zinc/05/08/96/202050896.db2.gz GERGNPNRKXSXHC-OAHLLOKOSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594307992 398782029 /nfs/dbraw/zinc/78/20/29/398782029.db2.gz HKCSGGQTVXBLFC-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO CC[NH+](CC)CCOC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000075063805 398783583 /nfs/dbraw/zinc/78/35/83/398783583.db2.gz KILBTWZUQVEQCI-UHFFFAOYSA-N 1 0 321.421 2.922 20 5 DFBDRO Cc1c(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000591763530 398785388 /nfs/dbraw/zinc/78/53/88/398785388.db2.gz WZWHHXUUABJUOG-INIZCTEOSA-N 1 0 318.348 2.736 20 5 DFBDRO CCc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236962485 202094580 /nfs/dbraw/zinc/09/45/80/202094580.db2.gz GYXNXZARTGVPPI-AWEZNQCLSA-N 1 0 307.394 2.603 20 5 DFBDRO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000051209141 425882813 /nfs/dbraw/zinc/88/28/13/425882813.db2.gz PZHFHZZRLGMCGD-CYBMUJFWSA-N 1 0 305.378 2.504 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000594389448 398791298 /nfs/dbraw/zinc/79/12/98/398791298.db2.gz IIFHAWQULNZRGH-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000276932718 213184746 /nfs/dbraw/zinc/18/47/46/213184746.db2.gz RAEHKYWHFLVKAO-CYBMUJFWSA-N 1 0 322.361 2.521 20 5 DFBDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849341 398794545 /nfs/dbraw/zinc/79/45/45/398794545.db2.gz GEMLOWYQVSPMEJ-KRWDZBQOSA-N 1 0 321.421 2.636 20 5 DFBDRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000591849342 398794590 /nfs/dbraw/zinc/79/45/90/398794590.db2.gz GEMLOWYQVSPMEJ-QGZVFWFLSA-N 1 0 321.421 2.636 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000598343075 398796090 /nfs/dbraw/zinc/79/60/90/398796090.db2.gz RZHVLCLQEKSEES-AWEZNQCLSA-N 1 0 319.405 2.932 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276848431 213132451 /nfs/dbraw/zinc/13/24/51/213132451.db2.gz DDEHDESGAGSBJU-HOCLYGCPSA-N 1 0 322.405 2.976 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC[C@H]1CCCO1 ZINC000594490719 398808026 /nfs/dbraw/zinc/80/80/26/398808026.db2.gz QYGDUKIGTQWQCM-CJNGLKHVSA-N 1 0 320.389 2.757 20 5 DFBDRO Cc1cc2c(c(C)c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CC2 ZINC000594501235 398810821 /nfs/dbraw/zinc/81/08/21/398810821.db2.gz XBQBRJMQTVBKCE-OAHLLOKOSA-N 1 0 300.362 2.685 20 5 DFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000179598976 199061229 /nfs/dbraw/zinc/06/12/29/199061229.db2.gz RYNZXLCZIPQSMS-UHFFFAOYSA-N 1 0 308.769 2.970 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCCC1 ZINC000151957586 283303909 /nfs/dbraw/zinc/30/39/09/283303909.db2.gz JXDSNAPTZJWUAE-UHFFFAOYSA-N 1 0 308.378 2.601 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000152087830 283309163 /nfs/dbraw/zinc/30/91/63/283309163.db2.gz QLIDSTUNPNSDRT-UHFFFAOYSA-N 1 0 321.421 2.574 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594596989 398827876 /nfs/dbraw/zinc/82/78/76/398827876.db2.gz BTIWZXZDVJEGSR-STQMWFEESA-N 1 0 307.398 2.548 20 5 DFBDRO CC(=O)c1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000052160118 398833484 /nfs/dbraw/zinc/83/34/84/398833484.db2.gz JSJBEYNJIUXLCJ-UHFFFAOYSA-N 1 0 305.378 2.941 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594611359 398832455 /nfs/dbraw/zinc/83/24/55/398832455.db2.gz ZGYWMLGGOAHMHK-HZSPNIEDSA-N 1 0 304.346 2.513 20 5 DFBDRO CC[N@H+](Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000180099715 199116567 /nfs/dbraw/zinc/11/65/67/199116567.db2.gz AODJPDYDDOKBNX-UHFFFAOYSA-N 1 0 300.362 2.980 20 5 DFBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCCC1 ZINC000594694389 398843659 /nfs/dbraw/zinc/84/36/59/398843659.db2.gz MHDPFTJXPXBVSJ-UHFFFAOYSA-N 1 0 301.293 2.880 20 5 DFBDRO Cc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC000594693048 398843468 /nfs/dbraw/zinc/84/34/68/398843468.db2.gz JJUSGGXDBFQKBF-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC(C)C1 ZINC000598675987 398853668 /nfs/dbraw/zinc/85/36/68/398853668.db2.gz CAWDVQYMFQURFW-OTTFEQOBSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000131141159 398849399 /nfs/dbraw/zinc/84/93/99/398849399.db2.gz ODUXFOKRWMNOPK-LBPRGKRZSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000131141356 398849746 /nfs/dbraw/zinc/84/97/46/398849746.db2.gz ODUXFOKRWMNOPK-GFCCVEGCSA-N 1 0 323.368 2.586 20 5 DFBDRO CSc1cccc(C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)c1[N+](=O)[O-] ZINC000598698777 398857320 /nfs/dbraw/zinc/85/73/20/398857320.db2.gz WWGZKNQNHDFMGD-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000598683887 398854850 /nfs/dbraw/zinc/85/48/50/398854850.db2.gz UFPHQNWZCZDFBY-YOEHRIQHSA-N 1 0 319.405 2.695 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000152967271 283347085 /nfs/dbraw/zinc/34/70/85/283347085.db2.gz MVXVKKZXDTZMRJ-SWLSCSKDSA-N 1 0 307.394 2.667 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000076694332 398865921 /nfs/dbraw/zinc/86/59/21/398865921.db2.gz ONHZESDABMUCHA-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCOCC(F)(F)F)C2 ZINC000153171946 283356140 /nfs/dbraw/zinc/35/61/40/283356140.db2.gz MEWUVFWFXMPACX-UHFFFAOYSA-N 1 0 318.295 2.922 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000594942078 398877893 /nfs/dbraw/zinc/87/78/93/398877893.db2.gz WESQYDBYEWTEKT-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO CC(C)([NH2+]Cc1cnc2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000594942829 398878656 /nfs/dbraw/zinc/87/86/56/398878656.db2.gz ZUHRNZITJWBTPX-UHFFFAOYSA-N 1 0 300.362 2.762 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594934542 398875557 /nfs/dbraw/zinc/87/55/57/398875557.db2.gz BUPCBFNPTKHOAV-OAHLLOKOSA-N 1 0 300.362 2.978 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000594938569 398877267 /nfs/dbraw/zinc/87/72/67/398877267.db2.gz LOKXMKNMPDPZKE-KJEVXHAQSA-N 1 0 306.362 2.833 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594961269 398882456 /nfs/dbraw/zinc/88/24/56/398882456.db2.gz MLLILKWMJIJRHS-ADQBSDNTSA-N 1 0 322.430 2.887 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000594964657 398883237 /nfs/dbraw/zinc/88/32/37/398883237.db2.gz LTBAJFHAEVRPRT-OAGGEKHMSA-N 1 0 322.405 2.559 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963974 398883406 /nfs/dbraw/zinc/88/34/06/398883406.db2.gz YNLZUZOPTOMQHF-SMSPXONGSA-N 1 0 314.382 2.513 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H](C)O2)c([N+](=O)[O-])cc1OC ZINC000594985924 398886956 /nfs/dbraw/zinc/88/69/56/398886956.db2.gz PZEUQOQLZCDYAT-WCQYABFASA-N 1 0 324.377 2.659 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cs1 ZINC000594977542 398885305 /nfs/dbraw/zinc/88/53/05/398885305.db2.gz LEPTWTANDFNNJL-LBPRGKRZSA-N 1 0 308.334 2.889 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000594979080 398885322 /nfs/dbraw/zinc/88/53/22/398885322.db2.gz HYKALXWBWWHVJE-UONOGXRCSA-N 1 0 320.418 2.891 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cc1 ZINC000594978807 398885484 /nfs/dbraw/zinc/88/54/84/398885484.db2.gz WECCFGRMSMQIBE-CQSZACIVSA-N 1 0 302.305 2.827 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594983130 398886561 /nfs/dbraw/zinc/88/65/61/398886561.db2.gz LBHWDYPKRQLEBP-UDYBNVKDSA-N 1 0 304.390 2.996 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004460 398890054 /nfs/dbraw/zinc/89/00/54/398890054.db2.gz ADXUQCFSYNWORF-VXGBXAGGSA-N 1 0 323.393 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000595009213 398891256 /nfs/dbraw/zinc/89/12/56/398891256.db2.gz FQAIAHWVMUBXQP-UONOGXRCSA-N 1 0 321.421 2.986 20 5 DFBDRO CCc1nn(C)c(N[C@H](C)CCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000172823339 283386881 /nfs/dbraw/zinc/38/68/81/283386881.db2.gz LMHVYKVIQPRTGW-GFCCVEGCSA-N 1 0 311.430 2.813 20 5 DFBDRO CCC[N@H+](CC)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014259 398891502 /nfs/dbraw/zinc/89/15/02/398891502.db2.gz VQMLVHPJUMOVRJ-ZDUSSCGKSA-N 1 0 309.410 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000595013634 398891545 /nfs/dbraw/zinc/89/15/45/398891545.db2.gz QMZRULQYIIZFBU-RCBQFDQVSA-N 1 0 319.405 2.881 20 5 DFBDRO COC[C@@H](CC1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595015701 398891872 /nfs/dbraw/zinc/89/18/72/398891872.db2.gz ZYCRCCMRNRBCHA-MRXNPFEDSA-N 1 0 322.405 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cscn1 ZINC000595018368 398892542 /nfs/dbraw/zinc/89/25/42/398892542.db2.gz NDUIBZKDBWRVSM-SNVBAGLBSA-N 1 0 307.375 2.953 20 5 DFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915504 398892729 /nfs/dbraw/zinc/89/27/29/398892729.db2.gz NGMQGIFAUDMKET-DTWKUNHWSA-N 1 0 312.757 2.592 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000595023904 398893967 /nfs/dbraw/zinc/89/39/67/398893967.db2.gz ZIWBHEGTHITVFP-ZYHUDNBSSA-N 1 0 318.377 2.917 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000595023748 398893861 /nfs/dbraw/zinc/89/38/61/398893861.db2.gz YCFRBQMKUUAHKK-PWSUYJOCSA-N 1 0 316.361 2.535 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142087314 398896887 /nfs/dbraw/zinc/89/68/87/398896887.db2.gz SOBNWUAHYVZHIQ-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000595054392 398898155 /nfs/dbraw/zinc/89/81/55/398898155.db2.gz MZYCDBWQJJQGSI-YPMHNXCESA-N 1 0 308.378 2.805 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000089592123 192823351 /nfs/dbraw/zinc/82/33/51/192823351.db2.gz RKZFIEHMYWLTHW-OAHLLOKOSA-N 1 0 305.378 2.694 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000595067794 398901383 /nfs/dbraw/zinc/90/13/83/398901383.db2.gz IRXCZOOWKWFBLJ-GWCFXTLKSA-N 1 0 300.305 2.978 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@H]1CC1(F)F ZINC000595066984 398901397 /nfs/dbraw/zinc/90/13/97/398901397.db2.gz CSWJZCLRJSSEMY-RISCZKNCSA-N 1 0 314.332 2.930 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CCc2nc(C3CC3)ncc2C1 ZINC000143414100 398901701 /nfs/dbraw/zinc/90/17/01/398901701.db2.gz HXEFDFRTTJGVFO-UHFFFAOYSA-N 1 0 310.357 2.821 20 5 DFBDRO C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1(CO)CC1 ZINC000595067998 398901833 /nfs/dbraw/zinc/90/18/33/398901833.db2.gz MRVGBAZJOBIASA-SWLSCSKDSA-N 1 0 304.390 2.667 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000595069172 398902116 /nfs/dbraw/zinc/90/21/16/398902116.db2.gz NOVJYSYTKHBFNL-BBRMVZONSA-N 1 0 322.405 2.995 20 5 DFBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000595079050 398902850 /nfs/dbraw/zinc/90/28/50/398902850.db2.gz HLXUVJFSZFSOER-APIJFGDWSA-N 1 0 322.409 2.822 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280987305 216004991 /nfs/dbraw/zinc/00/49/91/216004991.db2.gz JLIRYGIPZNRUAC-XUSGNXJCSA-N 1 0 310.419 2.855 20 5 DFBDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595107647 398906325 /nfs/dbraw/zinc/90/63/25/398906325.db2.gz PAWUGXRVUJPGMR-MCIONIFRSA-N 1 0 322.409 2.680 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599007636 398906883 /nfs/dbraw/zinc/90/68/83/398906883.db2.gz RPKSIONJOQAPTD-XJKSGUPXSA-N 1 0 306.362 2.651 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1ccncc1 ZINC000598998385 398905932 /nfs/dbraw/zinc/90/59/32/398905932.db2.gz QMAGTXGEIRPXMG-SJORKVTESA-N 1 0 313.357 2.918 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221132 398910952 /nfs/dbraw/zinc/91/09/52/398910952.db2.gz MOUFTSWHAXUOAH-LBPRGKRZSA-N 1 0 323.418 2.508 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])s2)[C@@H]1CCC[NH3+] ZINC000595258009 398913645 /nfs/dbraw/zinc/91/36/45/398913645.db2.gz HOFPNXOMQNJODH-GHMZBOCLSA-N 1 0 311.407 2.636 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCCOC2)n1 ZINC000599054581 398913753 /nfs/dbraw/zinc/91/37/53/398913753.db2.gz CCIDRCSSRFIVEA-SOUVJXGZSA-N 1 0 322.409 2.681 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000044531990 283469318 /nfs/dbraw/zinc/46/93/18/283469318.db2.gz HAYYUJHMBMAXCT-VIFPVBQESA-N 1 0 314.183 2.532 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187935635 200179410 /nfs/dbraw/zinc/17/94/10/200179410.db2.gz WHJYGMZQDTYWOW-LRDDRELGSA-N 1 0 308.378 2.586 20 5 DFBDRO CN(C[C@H]1CCC[C@H]1O)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058269 398914328 /nfs/dbraw/zinc/91/43/28/398914328.db2.gz GUCBSHRSJKCLBT-IUODEOHRSA-N 1 0 301.346 2.740 20 5 DFBDRO CCC[C@H]([NH2+]Cc1cnnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000599060282 398915030 /nfs/dbraw/zinc/91/50/30/398915030.db2.gz GBGUECOOPMHOKN-HNNXBMFYSA-N 1 0 303.366 2.837 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188115596 200196232 /nfs/dbraw/zinc/19/62/32/200196232.db2.gz UDXDXVIQMTWVLE-HOCLYGCPSA-N 1 0 318.398 2.864 20 5 DFBDRO C[C@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCC[NH2+]C1 ZINC000237544622 202278263 /nfs/dbraw/zinc/27/82/63/202278263.db2.gz IJWDXKWISLMZPW-TZMCWYRMSA-N 1 0 317.389 2.510 20 5 DFBDRO C[C@](CO)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000077656264 398916704 /nfs/dbraw/zinc/91/67/04/398916704.db2.gz JURIEGMHBQRIFQ-QGZVFWFLSA-N 1 0 322.405 2.895 20 5 DFBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075359 398918196 /nfs/dbraw/zinc/91/81/96/398918196.db2.gz VSRRNRFJNDHLBG-CVEARBPZSA-N 1 0 323.352 2.735 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599086047 398918765 /nfs/dbraw/zinc/91/87/65/398918765.db2.gz XXTZPVBJSIFYEW-ITDIGPHOSA-N 1 0 306.362 2.822 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595300198 398919091 /nfs/dbraw/zinc/91/90/91/398919091.db2.gz BBUZQLJDGNMAHM-LBPRGKRZSA-N 1 0 318.352 2.847 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)cccc1[N+](=O)[O-] ZINC000599092063 398919940 /nfs/dbraw/zinc/91/99/40/398919940.db2.gz DTWJLHBWMLRYHE-WFASDCNBSA-N 1 0 317.389 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188413296 200241819 /nfs/dbraw/zinc/24/18/19/200241819.db2.gz SQHRINRLFCHJNB-WUTVXBCWSA-N 1 0 312.373 2.969 20 5 DFBDRO Cc1sc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000237723145 202339540 /nfs/dbraw/zinc/33/95/40/202339540.db2.gz UYWAIWFWTTXWFA-UHFFFAOYSA-N 1 0 323.418 2.569 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO[C@H]2CC2(F)F)C2CC2)c1 ZINC000595355015 398926348 /nfs/dbraw/zinc/92/63/48/398926348.db2.gz UDAGPMFGYRCKSV-AWEZNQCLSA-N 1 0 312.316 2.983 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188802558 200305206 /nfs/dbraw/zinc/30/52/06/200305206.db2.gz JOMXQQKFCSBHHZ-ZDUSSCGKSA-N 1 0 322.409 2.639 20 5 DFBDRO CO[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCOC1 ZINC000595355080 398926508 /nfs/dbraw/zinc/92/65/08/398926508.db2.gz VOVCPMUVTDWEIS-WMLDXEAASA-N 1 0 320.389 2.611 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC1CC1 ZINC000189003959 200334460 /nfs/dbraw/zinc/33/44/60/200334460.db2.gz AYDHSCPXTMHLIL-UHFFFAOYSA-N 1 0 309.341 2.794 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307958 296008877 /nfs/dbraw/zinc/00/88/77/296008877.db2.gz CHNAZAQZUDRQCI-INIZCTEOSA-N 1 0 319.405 2.868 20 5 DFBDRO Cc1noc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417304615 296008620 /nfs/dbraw/zinc/00/86/20/296008620.db2.gz CIAGVXPHDHYLMO-OAHLLOKOSA-N 1 0 316.361 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C(F)F)CCCC2 ZINC000417313043 296009091 /nfs/dbraw/zinc/00/90/91/296009091.db2.gz OOPQGCXKOLSDMJ-CHWSQXEVSA-N 1 0 300.305 2.578 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000471802449 299306193 /nfs/dbraw/zinc/30/61/93/299306193.db2.gz AZKJVSJBDWQQJA-ZDUSSCGKSA-N 1 0 319.405 2.619 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595414953 398934269 /nfs/dbraw/zinc/93/42/69/398934269.db2.gz OWBJZKFNWDWLEZ-DLKVLKDVSA-N 1 0 317.389 2.693 20 5 DFBDRO CN(C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000417350990 296012771 /nfs/dbraw/zinc/01/27/71/296012771.db2.gz BMYKHFGPGLVKBO-HNNXBMFYSA-N 1 0 303.406 2.600 20 5 DFBDRO Cc1cc(N[C@@H]2CO[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599181767 398935931 /nfs/dbraw/zinc/93/59/31/398935931.db2.gz UFXLXJAWEQRKIV-YVEFUNNKSA-N 1 0 313.357 2.853 20 5 DFBDRO Cn1cnc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417385729 296015844 /nfs/dbraw/zinc/01/58/44/296015844.db2.gz XZNAXBYHUTXNMV-KRWDZBQOSA-N 1 0 314.389 2.928 20 5 DFBDRO Cc1noc(CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429071 398936698 /nfs/dbraw/zinc/93/66/98/398936698.db2.gz BGYCWKJQXLPLSP-YPMHNXCESA-N 1 0 322.409 2.634 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000078424870 398955332 /nfs/dbraw/zinc/95/53/32/398955332.db2.gz JAOPZHBISOHDQS-LBPRGKRZSA-N 1 0 324.812 2.955 20 5 DFBDRO Cc1noc(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)c1[N+](=O)[O-] ZINC000595523104 398956879 /nfs/dbraw/zinc/95/68/79/398956879.db2.gz IBWUZCKTHGFIPI-CQSZACIVSA-N 1 0 311.382 2.558 20 5 DFBDRO CCC(C)(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196141 398957198 /nfs/dbraw/zinc/95/71/98/398957198.db2.gz RBJDKQSWRYOEGB-VXGBXAGGSA-N 1 0 307.394 2.939 20 5 DFBDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196073 398957215 /nfs/dbraw/zinc/95/72/15/398957215.db2.gz AZTAGQZYRPYFSI-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000078494418 398960495 /nfs/dbraw/zinc/96/04/95/398960495.db2.gz JAISWIDWXXXMAE-UHFFFAOYSA-N 1 0 312.373 2.850 20 5 DFBDRO COc1cc(C[N@H+](C)CCCSC)c([N+](=O)[O-])cc1F ZINC000281398285 216272163 /nfs/dbraw/zinc/27/21/63/216272163.db2.gz NIURJIZDFYGSJO-UHFFFAOYSA-N 1 0 302.371 2.927 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCc1cnccc1OC ZINC000292662787 223190725 /nfs/dbraw/zinc/19/07/25/223190725.db2.gz LRDXLRWHHAZBSN-UHFFFAOYSA-N 1 0 317.345 2.687 20 5 DFBDRO Cc1noc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595553117 398969356 /nfs/dbraw/zinc/96/93/56/398969356.db2.gz CTQBDLMQRQHPAQ-OAHLLOKOSA-N 1 0 321.377 2.672 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])[C@@H]1SC ZINC000595556341 398970453 /nfs/dbraw/zinc/97/04/53/398970453.db2.gz CMEOSAGYOJEQBT-BNOWGMLFSA-N 1 0 314.382 2.733 20 5 DFBDRO CSC1(C[NH2+][C@@H](C)CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000193820089 201128181 /nfs/dbraw/zinc/12/81/81/201128181.db2.gz ARYGDPNNWDZDOV-NSHDSACASA-N 1 0 323.418 2.797 20 5 DFBDRO C[C@@]1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCS1 ZINC000600157063 398977973 /nfs/dbraw/zinc/97/79/73/398977973.db2.gz YRFSBWNBGALIMZ-AWEZNQCLSA-N 1 0 310.423 2.714 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000193921561 201146946 /nfs/dbraw/zinc/14/69/46/201146946.db2.gz GTFVTLWPIKLCER-OLZOCXBDSA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1cnc(N2CC[C@@H](C[NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000078669690 398978954 /nfs/dbraw/zinc/97/89/54/398978954.db2.gz PKYFEOHTRRDHKG-AWEZNQCLSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1cnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078670732 398979240 /nfs/dbraw/zinc/97/92/40/398979240.db2.gz PKGQIKFUVFXUAX-CQSZACIVSA-N 1 0 304.394 2.975 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162205382 398981971 /nfs/dbraw/zinc/98/19/71/398981971.db2.gz HKXDNLLMONUPOH-QWHCGFSZSA-N 1 0 319.405 2.892 20 5 DFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000194489292 201237624 /nfs/dbraw/zinc/23/76/24/201237624.db2.gz GWPZOHNFYGAESI-ZFWWWQNUSA-N 1 0 323.349 2.796 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000194499958 201239567 /nfs/dbraw/zinc/23/95/67/201239567.db2.gz FLTFCPRTJIYDRO-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000194724065 201279237 /nfs/dbraw/zinc/27/92/37/201279237.db2.gz GOXUUHSHJGSBCB-NWDGAFQWSA-N 1 0 314.345 2.668 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000595603673 398994625 /nfs/dbraw/zinc/99/46/25/398994625.db2.gz JWFWBHWTPVTTLP-OAHLLOKOSA-N 1 0 319.405 2.849 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000595603672 398994424 /nfs/dbraw/zinc/99/44/24/398994424.db2.gz JWFWBHWTPVTTLP-HNNXBMFYSA-N 1 0 319.405 2.849 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000195498768 201395185 /nfs/dbraw/zinc/39/51/85/201395185.db2.gz JYQGYCAZKVYGOT-DOMZBBRYSA-N 1 0 305.378 2.726 20 5 DFBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000195498770 201394804 /nfs/dbraw/zinc/39/48/04/201394804.db2.gz JYQGYCAZKVYGOT-WFASDCNBSA-N 1 0 305.378 2.726 20 5 DFBDRO CC[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417821757 296054830 /nfs/dbraw/zinc/05/48/30/296054830.db2.gz DZIKVORDWLYGQA-NFAWXSAZSA-N 1 0 320.393 2.615 20 5 DFBDRO CC[C@@H](NC(=O)NC1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417844928 296057311 /nfs/dbraw/zinc/05/73/11/296057311.db2.gz HWVILYFKNRMNKQ-SSDMNJCBSA-N 1 0 320.393 2.615 20 5 DFBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000417955358 296066445 /nfs/dbraw/zinc/06/64/45/296066445.db2.gz GSTRBKSEUCIMQF-UHFFFAOYSA-N 1 0 302.378 2.749 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249524586 283795429 /nfs/dbraw/zinc/79/54/29/283795429.db2.gz RNAYWLLCQYHTOL-XNRPHZJLSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249517257 283795162 /nfs/dbraw/zinc/79/51/62/283795162.db2.gz GRZOEBGNXZSKRW-MGPQQGTHSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595642692 399016512 /nfs/dbraw/zinc/01/65/12/399016512.db2.gz QRHVKKHQDDIILC-LBPRGKRZSA-N 1 0 307.394 2.972 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170735749 399018667 /nfs/dbraw/zinc/01/86/67/399018667.db2.gz XWAVLQMULFMHIA-CHWSQXEVSA-N 1 0 305.378 2.633 20 5 DFBDRO CC(C)[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000595686253 399033769 /nfs/dbraw/zinc/03/37/69/399033769.db2.gz USJNSZRELGGRAS-HNNXBMFYSA-N 1 0 306.341 2.917 20 5 DFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595687877 399035083 /nfs/dbraw/zinc/03/50/83/399035083.db2.gz DRUJSNVZJVVMHE-CALCHBBNSA-N 1 0 320.389 2.722 20 5 DFBDRO C[C@@H](c1ccccn1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091703384 193093920 /nfs/dbraw/zinc/09/39/20/193093920.db2.gz HAPBXFOSZWZXDQ-LRDDRELGSA-N 1 0 301.346 2.716 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696406 399038910 /nfs/dbraw/zinc/03/89/10/399038910.db2.gz KPSIECDAFNRIEJ-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000079551221 399057159 /nfs/dbraw/zinc/05/71/59/399057159.db2.gz VPVQLPQBJVQQQW-DZGCQCFKSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418434787 296095844 /nfs/dbraw/zinc/09/58/44/296095844.db2.gz FSHHNVWXQVBJBT-LBPRGKRZSA-N 1 0 322.409 2.503 20 5 DFBDRO C/C=C\C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690674 399066154 /nfs/dbraw/zinc/06/61/54/399066154.db2.gz OUWIKRSYZKZCTC-ZRMMWKCHSA-N 1 0 317.389 2.872 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000595767806 399076370 /nfs/dbraw/zinc/07/63/70/399076370.db2.gz DBNJZJKIHIFHHP-GDBMZVCRSA-N 1 0 314.389 2.829 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000595764899 399075520 /nfs/dbraw/zinc/07/55/20/399075520.db2.gz GQVUWEOURRKKSF-LLVKDONJSA-N 1 0 311.769 2.965 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000595767808 399077031 /nfs/dbraw/zinc/07/70/31/399077031.db2.gz DBNJZJKIHIFHHP-GOEBONIOSA-N 1 0 314.389 2.829 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000595767810 399077065 /nfs/dbraw/zinc/07/70/65/399077065.db2.gz DBNJZJKIHIFHHP-HOCLYGCPSA-N 1 0 314.389 2.829 20 5 DFBDRO CC(C)[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058610993 399088627 /nfs/dbraw/zinc/08/86/27/399088627.db2.gz IZDZUCATQGOXNF-NSHDSACASA-N 1 0 323.422 2.836 20 5 DFBDRO Cc1cc(=O)[nH]c([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000338347954 284103267 /nfs/dbraw/zinc/10/32/67/284103267.db2.gz GABCYSPASUPQSV-LBPRGKRZSA-N 1 0 316.361 2.634 20 5 DFBDRO CN(CCC[NH+]1CCCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338348880 284103290 /nfs/dbraw/zinc/10/32/90/284103290.db2.gz MKWYAQRBTKHQRY-UHFFFAOYSA-N 1 0 305.422 2.945 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419309901 296133876 /nfs/dbraw/zinc/13/38/76/296133876.db2.gz HGKSLABPVIAPLS-IHRRRGAJSA-N 1 0 322.405 2.749 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261795333 203118506 /nfs/dbraw/zinc/11/85/06/203118506.db2.gz QNDWERRPPXOSNO-BPLDGKMQSA-N 1 0 305.378 2.537 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419376463 296137682 /nfs/dbraw/zinc/13/76/82/296137682.db2.gz TUKRYZJTNHUHIN-YNEHKIRRSA-N 1 0 305.378 2.818 20 5 DFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595856289 399114928 /nfs/dbraw/zinc/11/49/28/399114928.db2.gz AHKUCXGZLYBIME-JALIKCBVSA-N 1 0 320.389 2.597 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1nc(C)oc1C ZINC000340195151 284158075 /nfs/dbraw/zinc/15/80/75/284158075.db2.gz HTLNZXWKIHCHJL-UHFFFAOYSA-N 1 0 319.361 2.931 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000595874421 399119270 /nfs/dbraw/zinc/11/92/70/399119270.db2.gz OMTLANRZFNRVCJ-GUYCJALGSA-N 1 0 322.405 2.832 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708259 399120406 /nfs/dbraw/zinc/12/04/06/399120406.db2.gz DUZLIRXBLCFAFD-OBJOEFQTSA-N 1 0 307.394 2.785 20 5 DFBDRO COCCOC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093339438 193235264 /nfs/dbraw/zinc/23/52/64/193235264.db2.gz LNUSSRCVJYWHLW-UHFFFAOYSA-N 1 0 308.378 2.531 20 5 DFBDRO CN(CC(C)(C)C[NH3+])c1cc(Br)ccc1[N+](=O)[O-] ZINC000093874679 193322109 /nfs/dbraw/zinc/32/21/09/193322109.db2.gz FJNNTUJVAZXFOE-UHFFFAOYSA-N 1 0 316.199 2.778 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600727583 399126934 /nfs/dbraw/zinc/12/69/34/399126934.db2.gz XUMBQQBDIZMCIJ-DGCLKSJQSA-N 1 0 317.311 2.554 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900630 399128267 /nfs/dbraw/zinc/12/82/67/399128267.db2.gz IQHMYHDYNPWEJW-CQSZACIVSA-N 1 0 321.396 2.946 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2)[C@@H]1C(F)(F)F ZINC000600738851 399131464 /nfs/dbraw/zinc/13/14/64/399131464.db2.gz NLAPWBCUXACREO-AAEUAGOBSA-N 1 0 317.311 2.696 20 5 DFBDRO C[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595909362 399131681 /nfs/dbraw/zinc/13/16/81/399131681.db2.gz LWJGBXUZHQNSIT-IUODEOHRSA-N 1 0 307.394 2.640 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@@H]1CC1(C)C ZINC000595911013 399132303 /nfs/dbraw/zinc/13/23/03/399132303.db2.gz WCCZUZFKPLWLNN-LBPRGKRZSA-N 1 0 305.378 2.901 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000060477877 399133126 /nfs/dbraw/zinc/13/31/26/399133126.db2.gz XJCJHJWCANQLMW-UKRRQHHQSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420179868 296160516 /nfs/dbraw/zinc/16/05/16/296160516.db2.gz CKOSUNUOGBHQSU-NHYWBVRUSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ccncc1[N+](=O)[O-])c1ccco1 ZINC000340945444 284222435 /nfs/dbraw/zinc/22/24/35/284222435.db2.gz GBNCFFBBMSFDLI-YPMHNXCESA-N 1 0 304.350 2.546 20 5 DFBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000420165450 296160074 /nfs/dbraw/zinc/16/00/74/296160074.db2.gz NCYKGXUYZHAMFQ-RYUDHWBXSA-N 1 0 300.362 2.943 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH2+]CC3CC3)CC2)n1 ZINC000420204779 296162226 /nfs/dbraw/zinc/16/22/26/296162226.db2.gz SUWDYBYLHABHID-UHFFFAOYSA-N 1 0 304.394 2.575 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000264201003 203764895 /nfs/dbraw/zinc/76/48/95/203764895.db2.gz IXDMJTCYTDEPPX-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCOC(=O)c1cc(NCC([NH3+])(CC)CC)ccc1[N+](=O)[O-] ZINC000420208788 296162499 /nfs/dbraw/zinc/16/24/99/296162499.db2.gz MAVAUCHWYXRTKI-UHFFFAOYSA-N 1 0 309.366 2.701 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1c1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000420210200 296162515 /nfs/dbraw/zinc/16/25/15/296162515.db2.gz NKDSFOZLLMKMAN-GFCCVEGCSA-N 1 0 300.362 2.640 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420194812 296161733 /nfs/dbraw/zinc/16/17/33/296161733.db2.gz KFJPFPFAGDPSAU-WPRPVWTQSA-N 1 0 301.293 2.736 20 5 DFBDRO Cc1cc(N2C[C@H](C[NH3+])C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420220299 296163103 /nfs/dbraw/zinc/16/31/03/296163103.db2.gz RZXGCQFCBBUSMN-RYUDHWBXSA-N 1 0 300.362 2.625 20 5 DFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]12 ZINC000420226377 296163596 /nfs/dbraw/zinc/16/35/96/296163596.db2.gz GNZRQIXXPGWFHE-SOUVJXGZSA-N 1 0 324.384 2.830 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420234927 296164495 /nfs/dbraw/zinc/16/44/95/296164495.db2.gz HWBAMWBFPVDFBC-IUCAKERBSA-N 1 0 301.293 2.878 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420241788 296165074 /nfs/dbraw/zinc/16/50/74/296165074.db2.gz ONOLQUDHXSEENQ-SCZZXKLOSA-N 1 0 301.293 2.606 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420241789 296165101 /nfs/dbraw/zinc/16/51/01/296165101.db2.gz ONOLQUDHXSEENQ-WCBMZHEXSA-N 1 0 301.293 2.606 20 5 DFBDRO Cc1cc(N[C@@H]2C[NH2+]CC[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420246423 296165348 /nfs/dbraw/zinc/16/53/48/296165348.db2.gz STAWULUCOWSZGK-QMTHXVAHSA-N 1 0 300.362 2.861 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000596012861 399147697 /nfs/dbraw/zinc/14/76/97/399147697.db2.gz BSWCMCPHOOUCTF-KBPBESRZSA-N 1 0 319.405 2.819 20 5 DFBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687925 204078903 /nfs/dbraw/zinc/07/89/03/204078903.db2.gz CYXRPSNYUKHGPF-RYUDHWBXSA-N 1 0 323.393 2.908 20 5 DFBDRO CCOc1cc(N2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000420261458 296166828 /nfs/dbraw/zinc/16/68/28/296166828.db2.gz QAUPUUXGTCRVRO-UHFFFAOYSA-N 1 0 305.378 2.573 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420260869 296166879 /nfs/dbraw/zinc/16/68/79/296166879.db2.gz OMIRHOXJBDBBLP-CQSZACIVSA-N 1 0 317.389 2.623 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000596015182 399148865 /nfs/dbraw/zinc/14/88/65/399148865.db2.gz ZPYLGKNQDFDYRH-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO CCOc1cccc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420265730 296167288 /nfs/dbraw/zinc/16/72/88/296167288.db2.gz FGJHQEKKRCADSD-ZIAGYGMSSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420270442 296167931 /nfs/dbraw/zinc/16/79/31/296167931.db2.gz YWKPKRCVRKBLGD-RKDXNWHRSA-N 1 0 316.188 2.947 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2NCCC[C@@H]2CCC[NH2+]2)s1 ZINC000420275080 296168147 /nfs/dbraw/zinc/16/81/47/296168147.db2.gz GBZBFAPDPUSNHJ-VIFPVBQESA-N 1 0 307.379 2.544 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@H]1[NH3+] ZINC000420268063 296167514 /nfs/dbraw/zinc/16/75/14/296167514.db2.gz DMWUGCMVMKTAMN-ZWNOBZJWSA-N 1 0 316.336 2.579 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420284358 296169067 /nfs/dbraw/zinc/16/90/67/296169067.db2.gz UONNXOMMYPUCOM-WCBMZHEXSA-N 1 0 303.284 2.705 20 5 DFBDRO CCC[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000264860654 204216175 /nfs/dbraw/zinc/21/61/75/204216175.db2.gz ONXCIFZZYBJQDX-AWEZNQCLSA-N 1 0 318.320 2.837 20 5 DFBDRO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420286200 296169377 /nfs/dbraw/zinc/16/93/77/296169377.db2.gz WEWRWZPXVDRCEE-WPRPVWTQSA-N 1 0 303.284 2.705 20 5 DFBDRO C[N@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CCC1 ZINC000600822793 399155465 /nfs/dbraw/zinc/15/54/65/399155465.db2.gz VOHBTYYRBXIGCM-UHFFFAOYSA-N 1 0 317.389 2.570 20 5 DFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000264864794 204221427 /nfs/dbraw/zinc/22/14/27/204221427.db2.gz FRVPHYCINBDZJH-UHFFFAOYSA-N 1 0 323.368 2.538 20 5 DFBDRO C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C[NH3+] ZINC000420289402 296169849 /nfs/dbraw/zinc/16/98/49/296169849.db2.gz UNLURUFFKGBGCA-AAEUAGOBSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C[NH3+] ZINC000420289406 296169975 /nfs/dbraw/zinc/16/99/75/296169975.db2.gz UNLURUFFKGBGCA-YPMHNXCESA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000600826227 399156962 /nfs/dbraw/zinc/15/69/62/399156962.db2.gz XFLMUNUFSHKCRL-LBPRGKRZSA-N 1 0 305.378 2.565 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420293395 296170325 /nfs/dbraw/zinc/17/03/25/296170325.db2.gz XUAPXBWBDGIQMC-IUCAKERBSA-N 1 0 318.299 2.938 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCNCC2(F)F)c2ncccc12 ZINC000420291985 296170329 /nfs/dbraw/zinc/17/03/29/296170329.db2.gz WCLZDMYQYAYGDO-JTQLQIEISA-N 1 0 322.315 2.800 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000618571461 399163587 /nfs/dbraw/zinc/16/35/87/399163587.db2.gz SMAUDGKHQOZKBP-APIJFGDWSA-N 1 0 322.409 2.680 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H]1OC ZINC000274895231 212017102 /nfs/dbraw/zinc/01/71/02/212017102.db2.gz FOSXLJRALWNSPJ-SDNTUTLCSA-N 1 0 322.405 2.698 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596081692 399166970 /nfs/dbraw/zinc/16/69/70/399166970.db2.gz JDMNUFHCZRGMFG-JHJVBQTASA-N 1 0 320.393 2.537 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000282492400 217038399 /nfs/dbraw/zinc/03/83/99/217038399.db2.gz PYPVQEQAQGUBBZ-ROUUACIJSA-N 1 0 312.369 2.727 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C[NH3+])C(C)(C)C ZINC000420352956 296178653 /nfs/dbraw/zinc/17/86/53/296178653.db2.gz BCIGZEZWUVOXSB-HNNXBMFYSA-N 1 0 309.410 2.845 20 5 DFBDRO C[C@H](Cn1cccn1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000282521237 217057704 /nfs/dbraw/zinc/05/77/04/217057704.db2.gz GLMZZQHLAZMXMD-UONOGXRCSA-N 1 0 302.378 2.791 20 5 DFBDRO CCn1nccc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596092528 399171122 /nfs/dbraw/zinc/17/11/22/399171122.db2.gz BGOAYXPPENNOQC-CYBMUJFWSA-N 1 0 302.378 2.922 20 5 DFBDRO COc1cccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282556000 217084670 /nfs/dbraw/zinc/08/46/70/217084670.db2.gz XTCRDTYASSMUBJ-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596107573 399175861 /nfs/dbraw/zinc/17/58/61/399175861.db2.gz YNHAKFKDELODIJ-JTQLQIEISA-N 1 0 313.785 2.787 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420385819 296184348 /nfs/dbraw/zinc/18/43/48/296184348.db2.gz FJCOYEZURBCUHY-CJNGLKHVSA-N 1 0 319.405 2.567 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000614222790 399179887 /nfs/dbraw/zinc/17/98/87/399179887.db2.gz BBBUEIGDSUDSAW-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000600946372 399184095 /nfs/dbraw/zinc/18/40/95/399184095.db2.gz FHWUZPGSZGGMAK-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO Cc1nn(C)c(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000063282621 399184327 /nfs/dbraw/zinc/18/43/27/399184327.db2.gz PDRUNEBNVFVPST-UHFFFAOYSA-N 1 0 321.425 2.703 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600950839 399183845 /nfs/dbraw/zinc/18/38/45/399183845.db2.gz AOJNGXJPVIXHFX-SFYZADRCSA-N 1 0 309.313 2.620 20 5 DFBDRO COc1cccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271699790 209136570 /nfs/dbraw/zinc/13/65/70/209136570.db2.gz SHIWXNOOSBESPU-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO CCN(CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1CC ZINC000614236480 399185153 /nfs/dbraw/zinc/18/51/53/399185153.db2.gz UWQCMPGRNWOSOZ-HNNXBMFYSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600951350 399185392 /nfs/dbraw/zinc/18/53/92/399185392.db2.gz DVHQHILCKVQPSH-QWRGUYRKSA-N 1 0 317.311 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282770783 217238640 /nfs/dbraw/zinc/23/86/40/217238640.db2.gz LSKILFPCOPOBJB-IUODEOHRSA-N 1 0 317.389 2.755 20 5 DFBDRO C[C@H]1C[C@H]([NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000600962913 399188245 /nfs/dbraw/zinc/18/82/45/399188245.db2.gz PCLHLJCAKUTQEN-ONGXEEELSA-N 1 0 304.375 2.644 20 5 DFBDRO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[NH2+]1 ZINC000600955846 399186791 /nfs/dbraw/zinc/18/67/91/399186791.db2.gz SGEHGORTWIGIGL-SCZZXKLOSA-N 1 0 301.293 2.749 20 5 DFBDRO COc1cccc(NCc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC000600959453 399187480 /nfs/dbraw/zinc/18/74/80/399187480.db2.gz XBXPOSCBSULASL-UHFFFAOYSA-N 1 0 313.357 2.861 20 5 DFBDRO C[C@H]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600967151 399189893 /nfs/dbraw/zinc/18/98/93/399189893.db2.gz YTGDVBGHINBQFT-IUCAKERBSA-N 1 0 312.757 2.510 20 5 DFBDRO Cc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)ccc1F ZINC000271681879 209123250 /nfs/dbraw/zinc/12/32/50/209123250.db2.gz BTXPLCZVNVGISN-GFCCVEGCSA-N 1 0 319.336 2.555 20 5 DFBDRO C[C@@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000266183351 205166313 /nfs/dbraw/zinc/16/63/13/205166313.db2.gz WBMWJGXBOGCIGT-VIFPVBQESA-N 1 0 310.737 2.979 20 5 DFBDRO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000198375788 399194176 /nfs/dbraw/zinc/19/41/76/399194176.db2.gz KCSHIAFUHGPPOK-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080958698 399194755 /nfs/dbraw/zinc/19/47/55/399194755.db2.gz GQTWPHQDDLSNGU-ZDUSSCGKSA-N 1 0 316.361 2.576 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000063693005 399201609 /nfs/dbraw/zinc/20/16/09/399201609.db2.gz KWMPPHURTOCVOP-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000420637937 296194827 /nfs/dbraw/zinc/19/48/27/296194827.db2.gz PQMXBDGXFMCCPW-AWEZNQCLSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000420640866 296195089 /nfs/dbraw/zinc/19/50/89/296195089.db2.gz TUUPNSLXDNIGBM-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000601020526 399204690 /nfs/dbraw/zinc/20/46/90/399204690.db2.gz SBVAZFHDHOIIAB-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO NC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000283009991 217385090 /nfs/dbraw/zinc/38/50/90/217385090.db2.gz GGXSPTGFLMIATC-CQSZACIVSA-N 1 0 323.368 2.648 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000601105503 399227920 /nfs/dbraw/zinc/22/79/20/399227920.db2.gz INUGKCZPHRGRPA-AWEZNQCLSA-N 1 0 322.315 2.983 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000601103440 399228026 /nfs/dbraw/zinc/22/80/26/399228026.db2.gz WPRBLLJTCYCPGN-GFCCVEGCSA-N 1 0 310.354 2.905 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921673 284443278 /nfs/dbraw/zinc/44/32/78/284443278.db2.gz RJRUHZURLVYOKC-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO CC(C)n1ncnc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000601113723 399231421 /nfs/dbraw/zinc/23/14/21/399231421.db2.gz PXVAINDCSLQASX-UHFFFAOYSA-N 1 0 323.784 2.753 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136704 399238137 /nfs/dbraw/zinc/23/81/37/399238137.db2.gz JVHWKZMWGBQEMM-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO C[N@@H+]1CCN(c2ncc(F)cc2[N+](=O)[O-])CC12CCCCC2 ZINC000601170722 399246902 /nfs/dbraw/zinc/24/69/02/399246902.db2.gz COOFMEUEYMLGMU-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601299751 399272733 /nfs/dbraw/zinc/27/27/33/399272733.db2.gz ABILBTPNZNNDJM-JFUSQASVSA-N 1 0 306.284 2.947 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCCn2cncn2)c2cc([N+](=O)[O-])ccc21 ZINC000618987120 399271891 /nfs/dbraw/zinc/27/18/91/399271891.db2.gz NBVIOHURCWXNIY-HNNXBMFYSA-N 1 0 315.377 2.589 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H](O)C(F)F)CCCC2 ZINC000601298486 399272801 /nfs/dbraw/zinc/27/28/01/399272801.db2.gz ISYMBLKCFUZXLM-UONOGXRCSA-N 1 0 314.332 2.968 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H](O)C(F)F)C1CC1 ZINC000601298777 399272923 /nfs/dbraw/zinc/27/29/23/399272923.db2.gz LBTCSTKUMZOHLV-OCCSQVGLSA-N 1 0 314.332 2.522 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601300663 399273838 /nfs/dbraw/zinc/27/38/38/399273838.db2.gz IXDLPUHXUZRERW-HOTUBEGUSA-N 1 0 306.284 2.866 20 5 DFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000136863533 284597530 /nfs/dbraw/zinc/59/75/30/284597530.db2.gz ASCKJWRQIQRCRL-NSHDSACASA-N 1 0 323.780 2.559 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000421476578 296258549 /nfs/dbraw/zinc/25/85/49/296258549.db2.gz JYAUIYVOUOVZHV-UONOGXRCSA-N 1 0 319.405 2.766 20 5 DFBDRO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175488661 284632145 /nfs/dbraw/zinc/63/21/45/284632145.db2.gz JPYBLGWDTQWCSA-CYBMUJFWSA-N 1 0 322.409 2.605 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000421549073 296264974 /nfs/dbraw/zinc/26/49/74/296264974.db2.gz FXISESDSFHLPHL-DGCLKSJQSA-N 1 0 314.345 2.844 20 5 DFBDRO CC(C)[N@H+](CCn1ccccc1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000608788778 399295087 /nfs/dbraw/zinc/29/50/87/399295087.db2.gz ZNQXOAINUAOWDX-UHFFFAOYSA-N 1 0 315.373 2.667 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601586999 399304111 /nfs/dbraw/zinc/30/41/11/399304111.db2.gz PKJFMQWZLJBDQU-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278950 399311818 /nfs/dbraw/zinc/31/18/18/399311818.db2.gz WKHPSPCXRGRZRL-HOTGVXAUSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000043596673 183375581 /nfs/dbraw/zinc/37/55/81/183375581.db2.gz YJURYCWECSAQNW-MRVPVSSYSA-N 1 0 302.172 2.719 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609553267 399322761 /nfs/dbraw/zinc/32/27/61/399322761.db2.gz LMRMRDRMQNVQFE-CQSZACIVSA-N 1 0 320.393 2.898 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000609839774 399333022 /nfs/dbraw/zinc/33/30/22/399333022.db2.gz PMJCVLXKWYKRHW-GFCCVEGCSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000609833846 399333080 /nfs/dbraw/zinc/33/30/80/399333080.db2.gz YFPLUAVGGUBZOU-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601791039 399337039 /nfs/dbraw/zinc/33/70/39/399337039.db2.gz FMUJYSFLQARNAC-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000601791547 399337229 /nfs/dbraw/zinc/33/72/29/399337229.db2.gz KILDJPHMJCQGPE-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080179 399341221 /nfs/dbraw/zinc/34/12/21/399341221.db2.gz QXNXDSAKSLJWLN-GDBMZVCRSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1sc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000104573758 194016891 /nfs/dbraw/zinc/01/68/91/194016891.db2.gz COSVCYDCHCGBOR-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000610161466 399344941 /nfs/dbraw/zinc/34/49/41/399344941.db2.gz VKALOJGQBVJLFQ-CQSZACIVSA-N 1 0 300.358 2.978 20 5 DFBDRO CC[N@H+](CCC(=O)OC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104680018 194025740 /nfs/dbraw/zinc/02/57/40/194025740.db2.gz NAPYIUDBZIUAEB-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000619430980 399344395 /nfs/dbraw/zinc/34/43/95/399344395.db2.gz ZSBFCRQIRIEBAN-JQWIXIFHSA-N 1 0 304.350 2.518 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCOCC2)CC1 ZINC000284685874 218132481 /nfs/dbraw/zinc/13/24/81/218132481.db2.gz HGCGESAXRIDXGH-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000610252174 399351010 /nfs/dbraw/zinc/35/10/10/399351010.db2.gz PKNMOSZJFLJIRW-XPKDYRNWSA-N 1 0 319.405 2.892 20 5 DFBDRO COCc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000610270885 399351528 /nfs/dbraw/zinc/35/15/28/399351528.db2.gz ZVLCPODDFZIRQX-UHFFFAOYSA-N 1 0 307.375 2.530 20 5 DFBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273916189 211170777 /nfs/dbraw/zinc/17/07/77/211170777.db2.gz BBRMBXCYGLGHJY-HZPDHXFCSA-N 1 0 321.446 2.606 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000284787401 218178180 /nfs/dbraw/zinc/17/81/80/218178180.db2.gz NTYXCGLZNVLHEH-CVEARBPZSA-N 1 0 306.362 2.617 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000610422006 399366534 /nfs/dbraw/zinc/36/65/34/399366534.db2.gz FYANJCUPWKRLCZ-MKBNYLNASA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000285009629 218254675 /nfs/dbraw/zinc/25/46/75/218254675.db2.gz MGEMMFPSZKCAJO-DLBZAZTESA-N 1 0 313.357 2.918 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)o2)c1 ZINC000601976269 399372871 /nfs/dbraw/zinc/37/28/71/399372871.db2.gz PHDKMFGIQHJSSZ-OKILXGFUSA-N 1 0 314.341 2.933 20 5 DFBDRO COc1cc(CNc2[nH+]ccn2CC(C)C)c([N+](=O)[O-])cc1O ZINC000285040479 218266746 /nfs/dbraw/zinc/26/67/46/218266746.db2.gz CDWJRTKWXBTLFO-UHFFFAOYSA-N 1 0 320.349 2.774 20 5 DFBDRO C[N@H+](CCC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000285293481 218369544 /nfs/dbraw/zinc/36/95/44/218369544.db2.gz KLXPEJZOFMQXPE-UHFFFAOYSA-N 1 0 308.378 2.801 20 5 DFBDRO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306300 218374155 /nfs/dbraw/zinc/37/41/55/218374155.db2.gz SGXPITWYMDBCCX-GFCCVEGCSA-N 1 0 300.362 2.855 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCC[C@H]2CCO)c(F)c1 ZINC000285337928 218387602 /nfs/dbraw/zinc/38/76/02/218387602.db2.gz OXWHOECYVKMRSR-LKFCYVNXSA-N 1 0 300.305 2.514 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619782565 399391343 /nfs/dbraw/zinc/39/13/43/399391343.db2.gz DDWFZGPWBQMFKE-DGCLKSJQSA-N 1 0 322.386 2.747 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000273448272 210783425 /nfs/dbraw/zinc/78/34/25/210783425.db2.gz KQFQAHWDHZSGOF-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO CC(C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000615943516 399403437 /nfs/dbraw/zinc/40/34/37/399403437.db2.gz UKAWCWHMXIDWQE-OAHLLOKOSA-N 1 0 302.378 2.858 20 5 DFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000602175484 399405271 /nfs/dbraw/zinc/40/52/71/399405271.db2.gz YFBNHHJTPDGGGX-TXEJJXNPSA-N 1 0 323.780 2.605 20 5 DFBDRO CC[C@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610798666 399407978 /nfs/dbraw/zinc/40/79/78/399407978.db2.gz MRBBNSQIVFWQRE-CPUCHLNUSA-N 1 0 321.421 2.745 20 5 DFBDRO CN(CCOC(C)(C)C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000610859881 399413122 /nfs/dbraw/zinc/41/31/22/399413122.db2.gz SFSXCLUOAWPKOK-UHFFFAOYSA-N 1 0 324.377 2.708 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616060704 399417738 /nfs/dbraw/zinc/41/77/38/399417738.db2.gz GNOXDAJPKINRBH-BXUZGUMPSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000268967842 207132687 /nfs/dbraw/zinc/13/26/87/207132687.db2.gz LMQNYCHICWYWCJ-GFCCVEGCSA-N 1 0 322.361 2.500 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268997221 207153325 /nfs/dbraw/zinc/15/33/25/207153325.db2.gz KWLYXRFPUZFMHH-HSBZDZAISA-N 1 0 319.405 2.859 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000269043082 207190805 /nfs/dbraw/zinc/19/08/05/207190805.db2.gz NLFNEAJHLXEFGN-ZIAGYGMSSA-N 1 0 322.409 2.600 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@H+](C1CC1)C1CCCCC1 ZINC000611184964 399443713 /nfs/dbraw/zinc/44/37/13/399443713.db2.gz LJKHKHASIZIFSY-UHFFFAOYSA-N 1 0 305.378 2.554 20 5 DFBDRO Cc1ccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602437606 399444314 /nfs/dbraw/zinc/44/43/14/399444314.db2.gz ZQCYDDSCUQAQRK-OAHLLOKOSA-N 1 0 300.362 2.974 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(CO)CC1 ZINC000611248620 399450795 /nfs/dbraw/zinc/45/07/95/399450795.db2.gz LGOQRDSSYPHMIF-GFCCVEGCSA-N 1 0 310.419 2.828 20 5 DFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471275 399453323 /nfs/dbraw/zinc/45/33/23/399453323.db2.gz AZGZSEZXZIAWPR-OCCSQVGLSA-N 1 0 300.362 2.706 20 5 DFBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@H]1C[C@H](OCC)C1(C)C ZINC000602471213 399453353 /nfs/dbraw/zinc/45/33/53/399453353.db2.gz KKDOVBQCGKYVNM-KBPBESRZSA-N 1 0 324.425 2.744 20 5 DFBDRO CC1(C)CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611268169 399454285 /nfs/dbraw/zinc/45/42/85/399454285.db2.gz ARQKQZFSRFZBGE-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@@H]3CCC[C@H]3C1)OCCO2 ZINC000611272005 399455691 /nfs/dbraw/zinc/45/56/91/399455691.db2.gz SQEIFZREIZHKFO-RYUDHWBXSA-N 1 0 304.346 2.598 20 5 DFBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478402 399456923 /nfs/dbraw/zinc/45/69/23/399456923.db2.gz XYYNLHISFMXUCS-UKRRQHHQSA-N 1 0 314.389 2.781 20 5 DFBDRO C[C@]1(O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602484570 399459041 /nfs/dbraw/zinc/45/90/41/399459041.db2.gz ORGXLXRDBIAFCD-LBPRGKRZSA-N 1 0 304.268 2.570 20 5 DFBDRO CC(C)CC[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602500184 399462095 /nfs/dbraw/zinc/46/20/95/399462095.db2.gz OUCCEBYKFVAQIK-MRXNPFEDSA-N 1 0 319.405 2.849 20 5 DFBDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611327186 399462717 /nfs/dbraw/zinc/46/27/17/399462717.db2.gz OAVPOWXMUSZXOX-LBPRGKRZSA-N 1 0 314.345 2.588 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000062979822 184264247 /nfs/dbraw/zinc/26/42/47/184264247.db2.gz NVKJRABFZLBCSW-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO O=C1CCCCCN1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602505223 399462862 /nfs/dbraw/zinc/46/28/62/399462862.db2.gz VRXGUZOXHNVQEI-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])ncn1 ZINC000611337250 399463077 /nfs/dbraw/zinc/46/30/77/399463077.db2.gz LFWHDFBNHAMRPE-GFCCVEGCSA-N 1 0 300.362 2.804 20 5 DFBDRO CC(C)COCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511810 399464840 /nfs/dbraw/zinc/46/48/40/399464840.db2.gz KXRRKWNYZXEHNO-UHFFFAOYSA-N 1 0 307.350 2.888 20 5 DFBDRO C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602521852 399467286 /nfs/dbraw/zinc/46/72/86/399467286.db2.gz SSAYVRGRRLWRGC-GFCCVEGCSA-N 1 0 304.394 2.594 20 5 DFBDRO C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602521853 399467306 /nfs/dbraw/zinc/46/73/06/399467306.db2.gz SSAYVRGRRLWRGC-LBPRGKRZSA-N 1 0 304.394 2.594 20 5 DFBDRO CO[C@H](C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602525491 399467807 /nfs/dbraw/zinc/46/78/07/399467807.db2.gz BWSKGPVVQPLKFK-SSDOTTSWSA-N 1 0 323.212 2.933 20 5 DFBDRO C[N@H+](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000602540326 399470969 /nfs/dbraw/zinc/47/09/69/399470969.db2.gz LEJUVYHPMGNFHI-UHFFFAOYSA-N 1 0 318.377 2.700 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CCCOC1 ZINC000602541623 399471493 /nfs/dbraw/zinc/47/14/93/399471493.db2.gz XPYWJDBVPCKWIV-NSHDSACASA-N 1 0 304.268 2.882 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422739331 296324194 /nfs/dbraw/zinc/32/41/94/296324194.db2.gz LBSHNBATQAIUKV-UHFFFAOYSA-N 1 0 319.405 2.993 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC=CCC3)CC2)cn1 ZINC000602551852 399473926 /nfs/dbraw/zinc/47/39/26/399473926.db2.gz KKHJJLZCZCAXOU-CYBMUJFWSA-N 1 0 302.378 2.657 20 5 DFBDRO C[C@@H]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[NH2+]1 ZINC000602556920 399474705 /nfs/dbraw/zinc/47/47/05/399474705.db2.gz XRPGYZAKUSEZGB-MWLCHTKSSA-N 1 0 319.386 2.680 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000611433763 399476295 /nfs/dbraw/zinc/47/62/95/399476295.db2.gz QLQUGMLKDNZNCW-OAHLLOKOSA-N 1 0 307.394 2.705 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]c3ncncc23)cc1[N+](=O)[O-] ZINC000602564663 399477158 /nfs/dbraw/zinc/47/71/58/399477158.db2.gz VUQRWFJCUXVMEG-LLVKDONJSA-N 1 0 311.345 2.977 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000602560643 399475964 /nfs/dbraw/zinc/47/59/64/399475964.db2.gz OEYYSJMWNATDOX-GWCFXTLKSA-N 1 0 318.295 2.864 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@H]1CCC(F)(F)C1)OCCO2 ZINC000611464358 399478637 /nfs/dbraw/zinc/47/86/37/399478637.db2.gz CFZIZWOLIUSUCB-JTQLQIEISA-N 1 0 314.288 2.643 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000611464415 399478840 /nfs/dbraw/zinc/47/88/40/399478840.db2.gz QVJLTKYAVLTMRA-SNVBAGLBSA-N 1 0 316.304 2.889 20 5 DFBDRO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602565089 399477626 /nfs/dbraw/zinc/47/76/26/399477626.db2.gz PIAIBYBJGAXXPK-YGHRGLEHSA-N 1 0 324.446 2.807 20 5 DFBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1[N+](=O)[O-] ZINC000492228432 299540949 /nfs/dbraw/zinc/54/09/49/299540949.db2.gz VTXRDIUFKGUSJT-UHFFFAOYSA-N 1 0 313.357 2.719 20 5 DFBDRO CC[C@H](O)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573279 399479407 /nfs/dbraw/zinc/47/94/07/399479407.db2.gz AULAIBOYJIIQDK-NSHDSACASA-N 1 0 306.284 2.864 20 5 DFBDRO C[C@H](CCO)C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602580150 399481653 /nfs/dbraw/zinc/48/16/53/399481653.db2.gz DDRPPLAUSPVUOF-CQSZACIVSA-N 1 0 306.406 2.916 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501334 399482641 /nfs/dbraw/zinc/48/26/41/399482641.db2.gz ARWAXONDGDDPHH-BXUZGUMPSA-N 1 0 309.341 2.603 20 5 DFBDRO C[C@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602578003 399480954 /nfs/dbraw/zinc/48/09/54/399480954.db2.gz SSNGJHGDACNKIH-JTQLQIEISA-N 1 0 321.196 2.687 20 5 DFBDRO CSc1ccc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602576441 399481020 /nfs/dbraw/zinc/48/10/20/399481020.db2.gz CATRPGKWLZUOAK-LBPRGKRZSA-N 1 0 323.418 2.660 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611501388 399483083 /nfs/dbraw/zinc/48/30/83/399483083.db2.gz BGSVOWOKWVHLEU-RYUDHWBXSA-N 1 0 309.341 2.603 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(CO)CCC1 ZINC000602606221 399488843 /nfs/dbraw/zinc/48/88/43/399488843.db2.gz CTCGNMARKFTCHZ-UHFFFAOYSA-N 1 0 318.295 2.866 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@]12CCCO2 ZINC000602635843 399498693 /nfs/dbraw/zinc/49/86/93/399498693.db2.gz VGZFTBDEEDOJEV-GVDBMIGSSA-N 1 0 320.389 2.719 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602631302 399496711 /nfs/dbraw/zinc/49/67/11/399496711.db2.gz SFFQTMHCGPWDBY-QGZVFWFLSA-N 1 0 314.385 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3cc(O)ccc3C2)cc1 ZINC000602634520 399497705 /nfs/dbraw/zinc/49/77/05/399497705.db2.gz RXIDOWZEYJSFPL-MRXNPFEDSA-N 1 0 312.369 2.990 20 5 DFBDRO C[C@H](O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602641202 399499919 /nfs/dbraw/zinc/49/99/19/399499919.db2.gz XUWLPRJRKNIURL-VIFPVBQESA-N 1 0 306.284 2.864 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602639076 399499139 /nfs/dbraw/zinc/49/91/39/399499139.db2.gz ZJFIELDMSHPJIS-HZMBPMFUSA-N 1 0 306.366 2.622 20 5 DFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602639079 399499171 /nfs/dbraw/zinc/49/91/71/399499171.db2.gz ZJFIELDMSHPJIS-YGRLFVJLSA-N 1 0 306.366 2.622 20 5 DFBDRO COc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000602659617 399506161 /nfs/dbraw/zinc/50/61/61/399506161.db2.gz UKQNCGDNAYGMDG-UHFFFAOYSA-N 1 0 307.375 2.734 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000611700594 399506646 /nfs/dbraw/zinc/50/66/46/399506646.db2.gz BNRMXPYIMQCXHP-UHFFFAOYSA-N 1 0 313.361 2.577 20 5 DFBDRO C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616743344 399508935 /nfs/dbraw/zinc/50/89/35/399508935.db2.gz NKCMXFQICUEXQY-NSHDSACASA-N 1 0 324.402 2.693 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCNC(=O)C(C)C ZINC000347360086 285013356 /nfs/dbraw/zinc/01/33/56/285013356.db2.gz NZKVBEPMBSCWNG-UVTDQMKNSA-N 1 0 319.405 2.702 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347369802 285017623 /nfs/dbraw/zinc/01/76/23/285017623.db2.gz UKYMHLRCOBFJQU-DDKJEQMHSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000422870660 296347628 /nfs/dbraw/zinc/34/76/28/296347628.db2.gz XUZIKMBFSUKFTP-INIZCTEOSA-N 1 0 307.394 2.705 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869428 296347724 /nfs/dbraw/zinc/34/77/24/296347724.db2.gz WLXRQOPJYKQFQT-OCCSQVGLSA-N 1 0 305.378 2.575 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000422869113 296347797 /nfs/dbraw/zinc/34/77/97/296347797.db2.gz WDMJPNCBBYDOEF-GWCFXTLKSA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000602672458 399513855 /nfs/dbraw/zinc/51/38/55/399513855.db2.gz OYRMBUZMFQMALW-AAEUAGOBSA-N 1 0 318.295 2.573 20 5 DFBDRO COc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000119811537 195041073 /nfs/dbraw/zinc/04/10/73/195041073.db2.gz FLQAJIYUKHUUMM-MFKMUULPSA-N 1 0 311.357 2.883 20 5 DFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000119876405 195053921 /nfs/dbraw/zinc/05/39/21/195053921.db2.gz YAHTWFNRUHOXOI-UHFFFAOYSA-N 1 0 301.346 2.891 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2Cn2cncn2)c(Cl)c1 ZINC000611782830 399525077 /nfs/dbraw/zinc/52/50/77/399525077.db2.gz KYRJEHSZVONTIZ-CYBMUJFWSA-N 1 0 321.768 2.504 20 5 DFBDRO C[C@H](Cc1ccccn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602704296 399530208 /nfs/dbraw/zinc/53/02/08/399530208.db2.gz FZQPUDWMIFCMGX-LLVKDONJSA-N 1 0 312.329 2.852 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000602707188 399531683 /nfs/dbraw/zinc/53/16/83/399531683.db2.gz DNQSYVHTGRKQJR-DLBZAZTESA-N 1 0 303.406 2.744 20 5 DFBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1(CO)CCC1 ZINC000602715460 399534835 /nfs/dbraw/zinc/53/48/35/399534835.db2.gz NQTZHDKXCYKGRF-UHFFFAOYSA-N 1 0 318.295 2.960 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCOCCF ZINC000602715854 399535514 /nfs/dbraw/zinc/53/55/14/399535514.db2.gz PGWSPHAGMLTCCP-UHFFFAOYSA-N 1 0 310.247 2.689 20 5 DFBDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602722111 399540201 /nfs/dbraw/zinc/54/02/01/399540201.db2.gz MRTCXAKKFXLAQZ-NEPJUHHUSA-N 1 0 304.268 2.881 20 5 DFBDRO C[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000273067886 210448241 /nfs/dbraw/zinc/44/82/41/210448241.db2.gz NTJRSPXFOLYYEM-HZPDHXFCSA-N 1 0 306.362 2.521 20 5 DFBDRO COCC1(C2CC2)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000602732521 399545804 /nfs/dbraw/zinc/54/58/04/399545804.db2.gz RDSLWFNWUBUQEN-XQRVVYSFSA-N 1 0 302.374 2.966 20 5 DFBDRO Cc1ccc(CC[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000602732118 399546122 /nfs/dbraw/zinc/54/61/22/399546122.db2.gz OIMVPOOEWVMLJX-GOSISDBHSA-N 1 0 314.385 2.943 20 5 DFBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000602735788 399548110 /nfs/dbraw/zinc/54/81/10/399548110.db2.gz KTYCIEFJQUHHPO-BVBGJJFLSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1c(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000272963476 210349024 /nfs/dbraw/zinc/34/90/24/210349024.db2.gz NTXGEOIRXRFSSN-GFCCVEGCSA-N 1 0 318.377 2.675 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090209 296377191 /nfs/dbraw/zinc/37/71/91/296377191.db2.gz UWYMRLVBGGAFDR-RYUDHWBXSA-N 1 0 303.284 2.583 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000602755219 399557512 /nfs/dbraw/zinc/55/75/12/399557512.db2.gz BCZRIJKHSLDAQO-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000602757041 399558194 /nfs/dbraw/zinc/55/81/94/399558194.db2.gz CUESGPPGDORADA-NSHDSACASA-N 1 0 306.341 2.932 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000158271858 197258946 /nfs/dbraw/zinc/25/89/46/197258946.db2.gz AYFJZSVVCOGLDQ-ZDUSSCGKSA-N 1 0 302.378 2.920 20 5 DFBDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000158229137 197255388 /nfs/dbraw/zinc/25/53/88/197255388.db2.gz OSELUDRVFYCBFK-XJKSGUPXSA-N 1 0 300.358 2.849 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000288726573 220373184 /nfs/dbraw/zinc/37/31/84/220373184.db2.gz KZLFISINJUPDLP-KCPJHIHWSA-N 1 0 305.378 2.550 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000602779864 399569863 /nfs/dbraw/zinc/56/98/63/399569863.db2.gz SYDCGCJJFZBLCN-LRDDRELGSA-N 1 0 300.362 2.793 20 5 DFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000157944156 197229390 /nfs/dbraw/zinc/22/93/90/197229390.db2.gz ZRFFFGAKIGGHDF-UHFFFAOYSA-N 1 0 308.769 2.970 20 5 DFBDRO CCS[C@H]1CC[C@@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783310 399571716 /nfs/dbraw/zinc/57/17/16/399571716.db2.gz KRTLXTMRZJKLIH-OLZOCXBDSA-N 1 0 312.439 2.706 20 5 DFBDRO Cc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157759806 197213858 /nfs/dbraw/zinc/21/38/58/197213858.db2.gz UHIRCOANWOBPMI-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO Cn1cc(C[NH2+][C@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602792357 399576072 /nfs/dbraw/zinc/57/60/72/399576072.db2.gz OZNRAKFQGRMPGJ-OAHLLOKOSA-N 1 0 300.362 2.959 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCCSC2)n1 ZINC000331862038 285169237 /nfs/dbraw/zinc/16/92/37/285169237.db2.gz FSPWBXZJXGVGLV-JHJVBQTASA-N 1 0 310.423 2.760 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)c1 ZINC000157554647 197196527 /nfs/dbraw/zinc/19/65/27/197196527.db2.gz QPQHQQZWOBQPKB-HNNXBMFYSA-N 1 0 304.325 2.768 20 5 DFBDRO COc1cccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)c1 ZINC000157530324 197194479 /nfs/dbraw/zinc/19/44/79/197194479.db2.gz DZEGINVZENELSR-MRXNPFEDSA-N 1 0 316.361 2.637 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120320273 195142346 /nfs/dbraw/zinc/14/23/46/195142346.db2.gz FPWNCJUWIJZYMV-OAGGEKHMSA-N 1 0 320.389 2.719 20 5 DFBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602802099 399580736 /nfs/dbraw/zinc/58/07/36/399580736.db2.gz OZENZYBPNUABJD-GFCCVEGCSA-N 1 0 318.377 2.849 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1ccc(F)c(F)c1)CC2 ZINC000347797624 285179763 /nfs/dbraw/zinc/17/97/63/285179763.db2.gz NYSYYJHBJGNVTB-UHFFFAOYSA-N 1 0 319.311 2.869 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000602815873 399587562 /nfs/dbraw/zinc/58/75/62/399587562.db2.gz LWZPWFWOABJVRL-UHFFFAOYSA-N 1 0 322.409 2.523 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C12CCCCC2 ZINC000602824118 399590889 /nfs/dbraw/zinc/59/08/89/399590889.db2.gz WQXHCZMHXUNEJK-KBPBESRZSA-N 1 0 322.409 2.546 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156840539 197144237 /nfs/dbraw/zinc/14/42/37/197144237.db2.gz QRNTZHHIONFNDC-CABCVRRESA-N 1 0 319.405 2.551 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000298074684 533138835 /nfs/dbraw/zinc/13/88/35/533138835.db2.gz DAIJSIWAYDBZJO-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156541574 197121795 /nfs/dbraw/zinc/12/17/95/197121795.db2.gz BRXDSKKKBLSQNE-AAEUAGOBSA-N 1 0 307.394 2.859 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000347878315 285221583 /nfs/dbraw/zinc/22/15/83/285221583.db2.gz PHEPAEBKNXVFCI-CABCVRRESA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000602852930 399602982 /nfs/dbraw/zinc/60/29/82/399602982.db2.gz UNMGXWDKEVNIOG-UHFFFAOYSA-N 1 0 318.352 2.908 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000155112447 197023346 /nfs/dbraw/zinc/02/33/46/197023346.db2.gz WSSOVLZZCGCGNF-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CCc1ccc([C@@H](N[C@@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423376987 296410244 /nfs/dbraw/zinc/41/02/44/296410244.db2.gz VJUFZKVWXXXLCC-ZBEGNZNMSA-N 1 0 303.362 2.776 20 5 DFBDRO CCc1ccc([C@H](N[C@@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423376986 296410284 /nfs/dbraw/zinc/41/02/84/296410284.db2.gz VJUFZKVWXXXLCC-MEDUHNTESA-N 1 0 303.362 2.776 20 5 DFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1F ZINC000602867336 399608982 /nfs/dbraw/zinc/60/89/82/399608982.db2.gz SAEFQGKOJYRDRK-AWEZNQCLSA-N 1 0 306.341 2.980 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294732144 224199082 /nfs/dbraw/zinc/19/90/82/224199082.db2.gz KRXZWMHGYLIGAW-GXSJLCMTSA-N 1 0 313.448 2.676 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1ccccc1[N+](=O)[O-] ZINC000294734037 224200060 /nfs/dbraw/zinc/20/00/60/224200060.db2.gz WNDZXKBLLVXQDC-SWLSCSKDSA-N 1 0 318.348 2.988 20 5 DFBDRO C[N@@H+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602875024 399612450 /nfs/dbraw/zinc/61/24/50/399612450.db2.gz XTMULBZVSANXLW-INIZCTEOSA-N 1 0 321.421 2.636 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2c2cn[nH]c2)c1 ZINC000602881448 399614732 /nfs/dbraw/zinc/61/47/32/399614732.db2.gz QNDXCFYVGVMBIS-HNNXBMFYSA-N 1 0 302.334 2.534 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545856 296428504 /nfs/dbraw/zinc/42/85/04/296428504.db2.gz DWNWFBAUHHGIKN-GXTWGEPZSA-N 1 0 307.394 2.786 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271556231 209009582 /nfs/dbraw/zinc/00/95/82/209009582.db2.gz VUGQLCBMOGMMEP-HOTGVXAUSA-N 1 0 301.346 2.764 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423609863 296433453 /nfs/dbraw/zinc/43/34/53/296433453.db2.gz LYIVSUKCZVMXDN-MRXNPFEDSA-N 1 0 305.378 2.529 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423630923 296435292 /nfs/dbraw/zinc/43/52/92/296435292.db2.gz FRBIPTXLCYMAFO-BFQNTYOBSA-N 1 0 319.405 2.835 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000330852180 533219389 /nfs/dbraw/zinc/21/93/89/533219389.db2.gz MERJASYWGHZSJG-CABCVRRESA-N 1 0 322.405 2.832 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(OCC)CC2)ccc1[N+](=O)[O-] ZINC000617196109 399627319 /nfs/dbraw/zinc/62/73/19/399627319.db2.gz SSYKNAMUXZRMCY-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000289664687 221139408 /nfs/dbraw/zinc/13/94/08/221139408.db2.gz MJWCHCMDMYHMSA-SNVBAGLBSA-N 1 0 324.768 2.560 20 5 DFBDRO Cc1c(CC(=O)Nc2cc(N(C)C)cc[nH+]2)cccc1[N+](=O)[O-] ZINC000612345353 399628345 /nfs/dbraw/zinc/62/83/45/399628345.db2.gz GCVNRKZEPGZAEI-UHFFFAOYSA-N 1 0 314.345 2.545 20 5 DFBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289699256 221162592 /nfs/dbraw/zinc/16/25/92/221162592.db2.gz HIISBRIFCONEBP-NSHDSACASA-N 1 0 300.305 2.951 20 5 DFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289735994 221189654 /nfs/dbraw/zinc/18/96/54/221189654.db2.gz JHQNUMPHKBQZMA-CVEARBPZSA-N 1 0 322.405 2.908 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2CO)ccc1[N+](=O)[O-] ZINC000602930867 399631204 /nfs/dbraw/zinc/63/12/04/399631204.db2.gz KMJVSMXBKPTKHD-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289851765 221269981 /nfs/dbraw/zinc/26/99/81/221269981.db2.gz PSSRZSAXQWGBAO-GWCFXTLKSA-N 1 0 300.305 2.605 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000289857748 221272927 /nfs/dbraw/zinc/27/29/27/221272927.db2.gz QUQQXMZDGRZJLY-SNVBAGLBSA-N 1 0 306.391 2.956 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289943581 221333078 /nfs/dbraw/zinc/33/30/78/221333078.db2.gz WDBJVSHIPAFDSU-NSHDSACASA-N 1 0 320.418 2.908 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000289939126 221329166 /nfs/dbraw/zinc/32/91/66/221329166.db2.gz SOLXKYSSTIIVDI-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO COc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289962801 221344250 /nfs/dbraw/zinc/34/42/50/221344250.db2.gz YKKAFNKJRMJJGV-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO Cn1cncc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290037525 221395718 /nfs/dbraw/zinc/39/57/18/221395718.db2.gz NTNPFNRCMMQGNL-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966963 399642407 /nfs/dbraw/zinc/64/24/07/399642407.db2.gz XIQDNSZFMWOZMC-CQSZACIVSA-N 1 0 322.405 2.503 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000612443813 399654055 /nfs/dbraw/zinc/65/40/55/399654055.db2.gz LBUMIXBENCRMCI-GFCCVEGCSA-N 1 0 315.377 2.505 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997510 399654929 /nfs/dbraw/zinc/65/49/29/399654929.db2.gz LUBVPJMTXYDJPX-LZWOXQAQSA-N 1 0 308.353 2.859 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603014329 399658758 /nfs/dbraw/zinc/65/87/58/399658758.db2.gz LBAZYUCIGHXCDJ-UHFFFAOYSA-N 1 0 320.393 2.715 20 5 DFBDRO Cc1noc(CN(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603119675 399686648 /nfs/dbraw/zinc/68/66/48/399686648.db2.gz KGFIMTAYRPOVSB-UHFFFAOYSA-N 1 0 310.398 2.589 20 5 DFBDRO O=[N+]([O-])c1cc(Cn2cc(C[NH2+]C3CCCCC3)nn2)cs1 ZINC000603205468 399710882 /nfs/dbraw/zinc/71/08/82/399710882.db2.gz CPMXIBKOKLKLRN-UHFFFAOYSA-N 1 0 321.406 2.718 20 5 DFBDRO C[NH2+]C(C)(C)c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249996 399723086 /nfs/dbraw/zinc/72/30/86/399723086.db2.gz ISAIYIJYHBROHS-NSHDSACASA-N 1 0 303.366 2.559 20 5 DFBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120976989 195275340 /nfs/dbraw/zinc/27/53/40/195275340.db2.gz OSZDOTZAWUSPRD-RISCZKNCSA-N 1 0 319.405 2.998 20 5 DFBDRO COc1cccc(N2CC[C@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000293184271 533583421 /nfs/dbraw/zinc/58/34/21/533583421.db2.gz WADMQVYVDUPDDA-CYBMUJFWSA-N 1 0 305.378 2.526 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000331306156 533568021 /nfs/dbraw/zinc/56/80/21/533568021.db2.gz ZHWLZOXTLUHSKZ-SGMGOOAPSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000603409189 399769291 /nfs/dbraw/zinc/76/92/91/399769291.db2.gz VTFFHAAEAKZMDO-UHFFFAOYSA-N 1 0 319.405 2.959 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000603415599 399771185 /nfs/dbraw/zinc/77/11/85/399771185.db2.gz MARJZEOPXKMVJB-IRXDYDNUSA-N 1 0 324.384 2.761 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423967543 296469588 /nfs/dbraw/zinc/46/95/88/296469588.db2.gz STLRNXMZVAAFDH-GOEBONIOSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284091006 131047604 /nfs/dbraw/zinc/04/76/04/131047604.db2.gz MGTAEGVZZMHFHY-LBPRGKRZSA-N 1 0 318.421 2.702 20 5 DFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000286932031 131256644 /nfs/dbraw/zinc/25/66/44/131256644.db2.gz JFODGUYWQMXFGM-LBPRGKRZSA-N 1 0 323.396 2.774 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617731478 399786420 /nfs/dbraw/zinc/78/64/20/399786420.db2.gz GTNMDOSMMWBDIA-DZGCQCFKSA-N 1 0 319.405 2.689 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NC(C)(C)CC[NH3+])cc1[N+](=O)[O-] ZINC000424055666 296481061 /nfs/dbraw/zinc/48/10/61/296481061.db2.gz JLNDODXYFLRKMF-UHFFFAOYSA-N 1 0 307.394 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000348522987 285583237 /nfs/dbraw/zinc/58/32/37/285583237.db2.gz AXNRUQUXFUBVKM-OLZOCXBDSA-N 1 0 300.305 2.887 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@H]21 ZINC000261642364 542952818 /nfs/dbraw/zinc/95/28/18/542952818.db2.gz FAVGRUDBRZFHJQ-MRVWCRGKSA-N 1 0 312.373 2.707 20 5 DFBDRO CCOC(=O)c1cc(NCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000302828491 543048237 /nfs/dbraw/zinc/04/82/37/543048237.db2.gz OJAXCVWVUJIUQM-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOCC3(CCC3)C2)cc1 ZINC000353582174 146676650 /nfs/dbraw/zinc/67/66/50/146676650.db2.gz OPNQBPKVVXYCTA-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000348843549 285696316 /nfs/dbraw/zinc/69/63/16/285696316.db2.gz BWKKDHIKSFQVMG-ZDUSSCGKSA-N 1 0 321.421 2.980 20 5 DFBDRO C[NH+](C)CCOc1ccccc1CNc1cccnc1[N+](=O)[O-] ZINC000604502030 399850915 /nfs/dbraw/zinc/85/09/15/399850915.db2.gz NZPRHCBEMXVLNS-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCc1ccccc1)OCCO2 ZINC000604532161 399853380 /nfs/dbraw/zinc/85/33/80/399853380.db2.gz BQVWLAHFFPZIIU-UHFFFAOYSA-N 1 0 314.341 2.698 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339678527 543146255 /nfs/dbraw/zinc/14/62/55/543146255.db2.gz MWMUGOWFJDPPDI-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072664952 145189409 /nfs/dbraw/zinc/18/94/09/145189409.db2.gz QYRJMZUKZZTLKH-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(Cl)c1 ZINC000174821620 145392397 /nfs/dbraw/zinc/39/23/97/145392397.db2.gz AEMZRSMKEDUFMD-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO Cc1c(C[NH2+]Cc2cccc3c2OCO3)cccc1[N+](=O)[O-] ZINC000237810374 146052530 /nfs/dbraw/zinc/05/25/30/146052530.db2.gz HTNHBLBQJIXXMN-UHFFFAOYSA-N 1 0 300.314 2.922 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245888203 146106746 /nfs/dbraw/zinc/10/67/46/146106746.db2.gz DYGUYZFZTIGKRN-DOMZBBRYSA-N 1 0 305.378 2.646 20 5 DFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000443511958 543357922 /nfs/dbraw/zinc/35/79/22/543357922.db2.gz RYMXEMFXHSPKFM-GFCCVEGCSA-N 1 0 312.439 3.220 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)CO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000247004081 146159416 /nfs/dbraw/zinc/15/94/16/146159416.db2.gz KATSUYNSRRQHSZ-RCBQFDQVSA-N 1 0 308.378 2.830 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H](CO)[C@@H](c3ccsc3)C2)cs1 ZINC000249546324 146200656 /nfs/dbraw/zinc/20/06/56/146200656.db2.gz GIMNFOSQMBSFOA-QWHCGFSZSA-N 1 0 324.427 2.926 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249977994 146210173 /nfs/dbraw/zinc/21/01/73/146210173.db2.gz YGRKUUMOUWQNFB-SQWLQELKSA-N 1 0 306.362 2.651 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000261687460 146259305 /nfs/dbraw/zinc/25/93/05/146259305.db2.gz IUILNHCLSVSYQR-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261942586 146306914 /nfs/dbraw/zinc/30/69/14/146306914.db2.gz LQSJDBDOENGKHO-GFCCVEGCSA-N 1 0 300.362 2.708 20 5 DFBDRO CC[NH2+][C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262424719 146359305 /nfs/dbraw/zinc/35/93/05/146359305.db2.gz CGIUYIISCAXLHL-SECBINFHSA-N 1 0 307.375 2.537 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH2+]C1CCCCCC1 ZINC000262559383 146371830 /nfs/dbraw/zinc/37/18/30/146371830.db2.gz UYHDHSLMTJXWKN-UHFFFAOYSA-N 1 0 309.414 2.844 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354411991 147026793 /nfs/dbraw/zinc/02/67/93/147026793.db2.gz WNYIAEOERSBUIF-FZMZJTMJSA-N 1 0 323.368 2.679 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354422587 147029606 /nfs/dbraw/zinc/02/96/06/147029606.db2.gz GSQWGISGUKZTCJ-GXTWGEPZSA-N 1 0 319.405 2.848 20 5 DFBDRO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355330486 147267339 /nfs/dbraw/zinc/26/73/39/147267339.db2.gz DFARIHDTRWKRCK-OAHLLOKOSA-N 1 0 314.389 2.844 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000355578043 147371362 /nfs/dbraw/zinc/37/13/62/147371362.db2.gz FFNYCBQGAKNQDQ-OLZOCXBDSA-N 1 0 320.393 2.816 20 5 DFBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350089447 286002306 /nfs/dbraw/zinc/00/23/06/286002306.db2.gz AEXSEJFTDWBEEF-INIZCTEOSA-N 1 0 314.389 2.807 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684956 148084553 /nfs/dbraw/zinc/08/45/53/148084553.db2.gz YAQDCSAHDLBINV-ZYHUDNBSSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684953 148085335 /nfs/dbraw/zinc/08/53/35/148085335.db2.gz YAQDCSAHDLBINV-JQWIXIFHSA-N 1 0 306.366 2.507 20 5 DFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1C[C@H](OCC)C1(C)C ZINC000357918174 148175463 /nfs/dbraw/zinc/17/54/63/148175463.db2.gz BQPOPIYSWNWXGD-KBPBESRZSA-N 1 0 324.425 2.707 20 5 DFBDRO CCCCO[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927994 148179064 /nfs/dbraw/zinc/17/90/64/148179064.db2.gz JUKUTVIKKRRNSA-KGLIPLIRSA-N 1 0 324.425 2.707 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000358154313 148262706 /nfs/dbraw/zinc/26/27/06/148262706.db2.gz NTJUWFVXEGVZBL-PBHICJAKSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000350552901 286057296 /nfs/dbraw/zinc/05/72/96/286057296.db2.gz HXBGYYKNQMXLRV-LBPRGKRZSA-N 1 0 308.382 2.753 20 5 DFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000360986078 149000126 /nfs/dbraw/zinc/00/01/26/149000126.db2.gz JFYKXFBUVXGZDG-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1ccc(-c2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023329 149011280 /nfs/dbraw/zinc/01/12/80/149011280.db2.gz UYZHCGMWKCOHFV-CMPLNLGQSA-N 1 0 302.334 2.618 20 5 DFBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361026027 149011460 /nfs/dbraw/zinc/01/14/60/149011460.db2.gz GZEKWIYGIMGHRR-GHMZBOCLSA-N 1 0 321.402 2.967 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(CCC[NH+](C)C)CC1 ZINC000361073482 149023266 /nfs/dbraw/zinc/02/32/66/149023266.db2.gz OLUZDJAICLKXLX-UHFFFAOYSA-N 1 0 323.441 2.678 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000361470681 149123840 /nfs/dbraw/zinc/12/38/40/149123840.db2.gz UTASGBSVVINRKF-KBPBESRZSA-N 1 0 322.405 2.845 20 5 DFBDRO CCOc1cc(C[N@H+](CC2CCC2)[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000361500189 149131407 /nfs/dbraw/zinc/13/14/07/149131407.db2.gz BBXYLUNOAWUWHN-ZDUSSCGKSA-N 1 0 322.405 2.976 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361591495 149161409 /nfs/dbraw/zinc/16/14/09/149161409.db2.gz NPRBUCHOUBPSJR-VXGBXAGGSA-N 1 0 320.315 2.844 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000361859763 149239142 /nfs/dbraw/zinc/23/91/42/149239142.db2.gz HCXPKIAUTORTRV-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000361865387 149241055 /nfs/dbraw/zinc/24/10/55/149241055.db2.gz MOHVJGUIYBZERH-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO COc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000361922816 149256669 /nfs/dbraw/zinc/25/66/69/149256669.db2.gz BJPVNQZINBOIDK-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000362912370 149394674 /nfs/dbraw/zinc/39/46/74/149394674.db2.gz YHGSUQURQBEYQL-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO COCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426293756 296623146 /nfs/dbraw/zinc/62/31/46/296623146.db2.gz HTBLPVUONZBLHR-STQMWFEESA-N 1 0 310.398 2.537 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccn2)C2CCCC2)n1 ZINC000371555695 150063711 /nfs/dbraw/zinc/06/37/11/150063711.db2.gz VFEWHRBOUJKOOT-INIZCTEOSA-N 1 0 315.377 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371701192 150083872 /nfs/dbraw/zinc/08/38/72/150083872.db2.gz QDDCOSUMQIFJDI-WEVVVXLNSA-N 1 0 324.380 2.728 20 5 DFBDRO Cc1ccc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000371752949 150090876 /nfs/dbraw/zinc/09/08/76/150090876.db2.gz LMJGCKMVHYOFSN-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC3CCOCC3)CC2)c1 ZINC000371758898 150091352 /nfs/dbraw/zinc/09/13/52/150091352.db2.gz DDFDTHCBKGUOEB-UHFFFAOYSA-N 1 0 320.389 2.755 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000372056568 150131012 /nfs/dbraw/zinc/13/10/12/150131012.db2.gz RJFSIPGEBKFRCY-WFASDCNBSA-N 1 0 314.389 2.786 20 5 DFBDRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000372303798 150161645 /nfs/dbraw/zinc/16/16/45/150161645.db2.gz ZXKNBUKXSXJCPX-GFCCVEGCSA-N 1 0 312.757 2.559 20 5 DFBDRO CC(C)(NC(=O)C[C@@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372931391 150203837 /nfs/dbraw/zinc/20/38/37/150203837.db2.gz VYNDKGHZNYHENO-CYBMUJFWSA-N 1 0 319.405 2.726 20 5 DFBDRO CN(Cc1cn2c(n1)CCCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000372990722 150212521 /nfs/dbraw/zinc/21/25/21/150212521.db2.gz PGYDEBOXWIOCLD-UHFFFAOYSA-N 1 0 300.362 2.760 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351619762 286171644 /nfs/dbraw/zinc/17/16/44/286171644.db2.gz LFHRXUMJYPQWSJ-WDEREUQCSA-N 1 0 324.356 2.680 20 5 DFBDRO COc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cc1[N+](=O)[O-] ZINC000374214458 150322983 /nfs/dbraw/zinc/32/29/83/150322983.db2.gz XXZNQSUGKACWRS-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO C[C@]1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCCc2ccccc21 ZINC000351714818 286200796 /nfs/dbraw/zinc/20/07/96/286200796.db2.gz BWOLQSDRQBZZOK-INIZCTEOSA-N 1 0 300.362 2.633 20 5 DFBDRO CC(=O)c1ccc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000351863444 286234216 /nfs/dbraw/zinc/23/42/16/286234216.db2.gz TXSHUKGWIWRATA-OAHLLOKOSA-N 1 0 323.418 2.647 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354983025 286229605 /nfs/dbraw/zinc/22/96/05/286229605.db2.gz NPNZTUKRIFTYHJ-BZUAXINKSA-N 1 0 308.378 2.830 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000351937097 286249867 /nfs/dbraw/zinc/24/98/67/286249867.db2.gz RYGXIIHXWZSVDG-ZIAGYGMSSA-N 1 0 321.421 2.906 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352278374 286334737 /nfs/dbraw/zinc/33/47/37/286334737.db2.gz LQTDZJOFIVBWPD-WFASDCNBSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360079 286353077 /nfs/dbraw/zinc/35/30/77/286353077.db2.gz LOKAEPJQRLXRHS-WFASDCNBSA-N 1 0 314.389 2.919 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000272502265 292295535 /nfs/dbraw/zinc/29/55/35/292295535.db2.gz NYTNJVIAGGWGNW-HIFRSBDPSA-N 1 0 317.389 2.661 20 5 DFBDRO CCC(C)(C)C[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000428545324 296704739 /nfs/dbraw/zinc/70/47/39/296704739.db2.gz VJUVEWDVWZMOSN-UHFFFAOYSA-N 1 0 324.377 2.672 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCOCC1 ZINC000352777664 286465088 /nfs/dbraw/zinc/46/50/88/286465088.db2.gz HUPDCBISDQYOQP-AWEZNQCLSA-N 1 0 308.378 2.898 20 5 DFBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C(=O)OC ZINC000352780106 286465657 /nfs/dbraw/zinc/46/56/57/286465657.db2.gz RUBLLWCCLQEQJY-UHFFFAOYSA-N 1 0 324.377 2.672 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000353125009 286556910 /nfs/dbraw/zinc/55/69/10/286556910.db2.gz ZXKOUUBESNIJCJ-XJKSGUPXSA-N 1 0 319.405 2.686 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3cn[nH]c3)o2)c1 ZINC000353208362 286579726 /nfs/dbraw/zinc/57/97/26/286579726.db2.gz JOXBWJOAKYLMKG-UHFFFAOYSA-N 1 0 312.329 2.910 20 5 DFBDRO COc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1[N+](=O)[O-] ZINC000429249337 296738730 /nfs/dbraw/zinc/73/87/30/296738730.db2.gz AREWFAJLIILXHR-ZDUSSCGKSA-N 1 0 314.341 2.566 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(F)(F)C1 ZINC000429476526 296746586 /nfs/dbraw/zinc/74/65/86/296746586.db2.gz YBBBBWFITBVOGF-VIFPVBQESA-N 1 0 313.304 2.699 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)F ZINC000429456425 296745787 /nfs/dbraw/zinc/74/57/87/296745787.db2.gz TYEHXFUDOPMEIG-PWSUYJOCSA-N 1 0 302.321 2.522 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493585100 299797705 /nfs/dbraw/zinc/79/77/05/299797705.db2.gz NSAJTBLDWAXSDQ-GHXNOFRVSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000246322594 158085732 /nfs/dbraw/zinc/08/57/32/158085732.db2.gz FQUUDZLHGUATBF-OCCSQVGLSA-N 1 0 320.393 2.753 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246473095 158092216 /nfs/dbraw/zinc/09/22/16/158092216.db2.gz CVYQPZKQVQCPDO-SUMWQHHRSA-N 1 0 320.389 2.994 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246958226 158108790 /nfs/dbraw/zinc/10/87/90/158108790.db2.gz IJSSNWDCISYTOM-IUODEOHRSA-N 1 0 318.377 2.543 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248452959 158177975 /nfs/dbraw/zinc/17/79/75/158177975.db2.gz YXJODQWBSUPICY-FZMZJTMJSA-N 1 0 309.797 2.917 20 5 DFBDRO Cc1cccc(C)c1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000355038603 158258409 /nfs/dbraw/zinc/25/84/09/158258409.db2.gz RFMVWYJZAYWXOY-CQSZACIVSA-N 1 0 315.373 2.724 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207605 158298240 /nfs/dbraw/zinc/29/82/40/158298240.db2.gz OMCOFPXRYZVNHF-LSDHHAIUSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1[N+](=O)[O-] ZINC000355207599 158299155 /nfs/dbraw/zinc/29/91/55/158299155.db2.gz OMCOFPXRYZVNHF-CABCVRRESA-N 1 0 320.389 2.852 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1C[NH3+] ZINC000430627089 296801223 /nfs/dbraw/zinc/80/12/23/296801223.db2.gz SLWQXGGAOSDEMC-HNNXBMFYSA-N 1 0 307.394 2.695 20 5 DFBDRO [NH3+][C@@H](CNc1cc(Br)ccc1[N+](=O)[O-])C1CC1 ZINC000129323684 196038722 /nfs/dbraw/zinc/03/87/22/196038722.db2.gz NATFGJDZXPPJOM-VIFPVBQESA-N 1 0 300.156 2.507 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000130990558 196129642 /nfs/dbraw/zinc/12/96/42/196129642.db2.gz YUMPIIHPBHKHEX-ZDUSSCGKSA-N 1 0 319.386 2.655 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130989982 196130117 /nfs/dbraw/zinc/13/01/17/196130117.db2.gz FSVBKJUCJUXUOX-OYMPBJRDSA-N 1 0 312.435 2.615 20 5 DFBDRO CC[C@H](NC(=O)C[N@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000133166437 196318116 /nfs/dbraw/zinc/31/81/16/196318116.db2.gz DWZKUDPOEKSDRZ-HNNXBMFYSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134431715 196390706 /nfs/dbraw/zinc/39/07/06/196390706.db2.gz GEXPVKHIKBLIQY-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCCn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000433219584 296902041 /nfs/dbraw/zinc/90/20/41/296902041.db2.gz JYEDSDMYLJWRBP-OAHLLOKOSA-N 1 0 315.377 2.589 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000433342543 296908210 /nfs/dbraw/zinc/90/82/10/296908210.db2.gz LFQWLTIHHXPUAN-UHFFFAOYSA-N 1 0 312.329 2.910 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000296642827 226079017 /nfs/dbraw/zinc/07/90/17/226079017.db2.gz CEBRVMLKWYODSF-YVEFUNNKSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1nc(Nc2ccc(CC[NH+](C)C)cc2)ncc1[N+](=O)[O-] ZINC000297028880 226704003 /nfs/dbraw/zinc/70/40/03/226704003.db2.gz HFEHGHNZSWANJY-UHFFFAOYSA-N 1 0 301.350 2.541 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000291694886 222565089 /nfs/dbraw/zinc/56/50/89/222565089.db2.gz FXFRZPTWIYQTAZ-VIFPVBQESA-N 1 0 314.773 2.567 20 5 DFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000297560097 227300311 /nfs/dbraw/zinc/30/03/11/227300311.db2.gz RLSAGXIRMZHSQZ-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299427427 229111528 /nfs/dbraw/zinc/11/15/28/229111528.db2.gz WQKAWVADETZSSO-HNNXBMFYSA-N 1 0 318.377 2.687 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000299562964 229213522 /nfs/dbraw/zinc/21/35/22/229213522.db2.gz AWTYTNAEQHHLKG-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1 ZINC000302014114 230034373 /nfs/dbraw/zinc/03/43/73/230034373.db2.gz BLPJNEQNINQUBB-CQSZACIVSA-N 1 0 321.402 2.863 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302021521 230041522 /nfs/dbraw/zinc/04/15/22/230041522.db2.gz FOLMMAJCAQKZPG-KRWDZBQOSA-N 1 0 315.373 2.802 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2OC(F)F)C[C@H]1[NH+](C)C ZINC000302223712 230179039 /nfs/dbraw/zinc/17/90/39/230179039.db2.gz NOIIVJIECPKLMJ-BXKDBHETSA-N 1 0 315.320 2.583 20 5 DFBDRO Cc1cc(NC(C)(C)CC[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000302276226 230206426 /nfs/dbraw/zinc/20/64/26/230206426.db2.gz SZQCPGUHXLUCFV-UHFFFAOYSA-N 1 0 320.437 2.731 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH+](C3CCCC3)CC2)cc1 ZINC000067386943 425909936 /nfs/dbraw/zinc/90/99/36/425909936.db2.gz HIUUQMAXSSGWSF-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000007386149 425642485 /nfs/dbraw/zinc/64/24/85/425642485.db2.gz LKFVOBLZFLHFEG-XQQFMLRXSA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1sc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000045140503 425860217 /nfs/dbraw/zinc/86/02/17/425860217.db2.gz WETZBFYDEPWADA-UHFFFAOYSA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)cc[nH+]1 ZINC000191902696 268018244 /nfs/dbraw/zinc/01/82/44/268018244.db2.gz PVRKDCZLCXPPKJ-UHFFFAOYSA-N 1 0 321.358 2.716 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046988458 425867456 /nfs/dbraw/zinc/86/74/56/425867456.db2.gz AGEZCJVCXOYFPK-LBPRGKRZSA-N 1 0 309.366 2.572 20 5 DFBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195163723 268128912 /nfs/dbraw/zinc/12/89/12/268128912.db2.gz VDACQBKEQRBXNK-SWLSCSKDSA-N 1 0 317.389 2.652 20 5 DFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000195625021 268137382 /nfs/dbraw/zinc/13/73/82/268137382.db2.gz STRKNMUFGUSNRV-MCIONIFRSA-N 1 0 319.405 2.691 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000250135631 268168212 /nfs/dbraw/zinc/16/82/12/268168212.db2.gz YAEBVGDJKPULEA-NZVBXONLSA-N 1 0 308.378 2.804 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)c1ccccc1 ZINC000264040802 268172275 /nfs/dbraw/zinc/17/22/75/268172275.db2.gz SALATGBDRFEKHV-INIZCTEOSA-N 1 0 316.357 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000269004513 268187167 /nfs/dbraw/zinc/18/71/67/268187167.db2.gz ZEAKEGZPAMPEQN-IRXDYDNUSA-N 1 0 319.405 2.775 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000269625027 268190241 /nfs/dbraw/zinc/19/02/41/268190241.db2.gz JNCZAYFEZCYDPP-NSHDSACASA-N 1 0 311.332 2.938 20 5 DFBDRO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1O ZINC000270861850 268227778 /nfs/dbraw/zinc/22/77/78/268227778.db2.gz IFURDXLXIJWDGS-SWLSCSKDSA-N 1 0 308.378 2.585 20 5 DFBDRO CC[C@@H]1CO[C@@H](C)CN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001388 268247539 /nfs/dbraw/zinc/24/75/39/268247539.db2.gz KZBOSHXGFOMEII-WCQYABFASA-N 1 0 324.377 2.611 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000271318040 268248725 /nfs/dbraw/zinc/24/87/25/268248725.db2.gz NZECIUUSTYHMSI-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CC(C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000273590406 268254699 /nfs/dbraw/zinc/25/46/99/268254699.db2.gz HDXPYDUUKKLACE-CQSZACIVSA-N 1 0 307.398 2.553 20 5 DFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCC(C)CC1 ZINC000273590405 268254762 /nfs/dbraw/zinc/25/47/62/268254762.db2.gz HDXPYDUUKKLACE-AWEZNQCLSA-N 1 0 307.398 2.553 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000287220416 268276533 /nfs/dbraw/zinc/27/65/33/268276533.db2.gz ISOWOGYSOYTYKO-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000296205462 268298740 /nfs/dbraw/zinc/29/87/40/268298740.db2.gz MHEYFVCXNPAKFY-HRCADAONSA-N 1 0 320.389 2.566 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000301940479 268323544 /nfs/dbraw/zinc/32/35/44/268323544.db2.gz UIBCCYRLWXFWOT-LBPRGKRZSA-N 1 0 323.393 2.898 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000316944230 268345192 /nfs/dbraw/zinc/34/51/92/268345192.db2.gz WEUKTAZBHAOURX-NSHDSACASA-N 1 0 309.366 2.524 20 5 DFBDRO CCCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000319754643 268346875 /nfs/dbraw/zinc/34/68/75/268346875.db2.gz VCUDSYMLBORPTD-FPLPWBNLSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1 ZINC000049407533 425879367 /nfs/dbraw/zinc/87/93/67/425879367.db2.gz STDMWKBYEJRRAH-ZDUSSCGKSA-N 1 0 317.345 2.529 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125653500 425984707 /nfs/dbraw/zinc/98/47/07/425984707.db2.gz PHIXFEQWHFMJNM-DLBZAZTESA-N 1 0 322.405 2.815 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000107600159 425996074 /nfs/dbraw/zinc/99/60/74/425996074.db2.gz AAYSDFHVNLIURJ-LBPRGKRZSA-N 1 0 323.418 2.665 20 5 DFBDRO CC(C)OCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000158321063 425941875 /nfs/dbraw/zinc/94/18/75/425941875.db2.gz RMNPYWKFNXPHRV-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO CC(C)[C@@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000104274434 425962002 /nfs/dbraw/zinc/96/20/02/425962002.db2.gz TYMALTLVHAEACO-INIZCTEOSA-N 1 0 319.405 2.722 20 5 DFBDRO CN(CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000105436173 425968201 /nfs/dbraw/zinc/96/82/01/425968201.db2.gz PYEWUHIFYQGEDS-UHFFFAOYSA-N 1 0 323.393 2.941 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070197520 425970267 /nfs/dbraw/zinc/97/02/67/425970267.db2.gz POKHMXRBINIKSA-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000126535947 426024646 /nfs/dbraw/zinc/02/46/46/426024646.db2.gz HQIOATRGNYWZBC-OLZOCXBDSA-N 1 0 305.378 2.565 20 5 DFBDRO CCC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109131083 426028622 /nfs/dbraw/zinc/02/86/22/426028622.db2.gz GWKMBGAZNYPUHN-MRXNPFEDSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161911779 426045455 /nfs/dbraw/zinc/04/54/55/426045455.db2.gz SUCCPFOOAGGUTE-CZUORRHYSA-N 1 0 316.405 2.751 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000162187194 426055354 /nfs/dbraw/zinc/05/53/54/426055354.db2.gz COECDBTUZFGOLX-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000072009965 426007228 /nfs/dbraw/zinc/00/72/28/426007228.db2.gz XVCYJJVCZZZEDM-AWEZNQCLSA-N 1 0 319.405 2.979 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072492049 426016638 /nfs/dbraw/zinc/01/66/38/426016638.db2.gz WXSXQRBBKHQNJD-ZDUSSCGKSA-N 1 0 305.378 2.901 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000072686916 426019874 /nfs/dbraw/zinc/01/98/74/426019874.db2.gz ICFVSANUYBHYRX-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000114483459 426137916 /nfs/dbraw/zinc/13/79/16/426137916.db2.gz LMWHZFDVETWZOQ-INIZCTEOSA-N 1 0 316.361 2.924 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076003444 426094129 /nfs/dbraw/zinc/09/41/29/426094129.db2.gz QCEKUJUWVGKRPH-CQSZACIVSA-N 1 0 321.421 2.767 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCC(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000163513897 426102216 /nfs/dbraw/zinc/10/22/16/426102216.db2.gz KQUVXVXAGXRHSO-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000166441468 426127522 /nfs/dbraw/zinc/12/75/22/426127522.db2.gz STFMTPOOPPBNDW-GZBFAFLISA-N 1 0 308.378 2.748 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)[C@@H](C)CC ZINC000112379324 426075398 /nfs/dbraw/zinc/07/53/98/426075398.db2.gz QGVAGMBEPLCABV-LRDDRELGSA-N 1 0 310.394 2.880 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000112465397 426080145 /nfs/dbraw/zinc/08/01/45/426080145.db2.gz QFZRUZQLLLZUNR-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130259835 426152092 /nfs/dbraw/zinc/15/20/92/426152092.db2.gz BYXISGDZSFUTEO-ZBFHGGJFSA-N 1 0 322.405 2.845 20 5 DFBDRO CO[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000170917296 426159086 /nfs/dbraw/zinc/15/90/86/426159086.db2.gz JIDHWDRIBGFNCK-HNNXBMFYSA-N 1 0 308.378 2.993 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000131228718 426164880 /nfs/dbraw/zinc/16/48/80/426164880.db2.gz ARABQXRGLQBGHT-JTQLQIEISA-N 1 0 303.284 2.802 20 5 DFBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171248593 426178875 /nfs/dbraw/zinc/17/88/75/426178875.db2.gz FWJWMGPPYDXWOC-MJBXVCDLSA-N 1 0 319.405 2.815 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650964 426179828 /nfs/dbraw/zinc/17/98/28/426179828.db2.gz QTLSGOKLPARVNT-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000116128399 426180713 /nfs/dbraw/zinc/18/07/13/426180713.db2.gz CWJQVRGTCLHMRN-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173056479 426234251 /nfs/dbraw/zinc/23/42/51/426234251.db2.gz CLAQQUQHVKLLFW-OCHBPSSRSA-N 1 0 319.405 2.701 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000173284898 426238460 /nfs/dbraw/zinc/23/84/60/426238460.db2.gz SAQYUWGLSKFYKV-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173819816 426249386 /nfs/dbraw/zinc/24/93/86/426249386.db2.gz WNZXYEZBWVZWTF-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC[NH2+]CC1 ZINC000150845363 426264227 /nfs/dbraw/zinc/26/42/27/426264227.db2.gz LRQURQQSPBFRFB-LBPRGKRZSA-N 1 0 317.389 2.510 20 5 DFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H](C)CO ZINC000339210572 268776604 /nfs/dbraw/zinc/77/66/04/268776604.db2.gz MRNMHGGELGVBQR-VIFPVBQESA-N 1 0 306.284 2.816 20 5 DFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087192636 426268036 /nfs/dbraw/zinc/26/80/36/426268036.db2.gz YLLNHTPJGCFMAL-OAHLLOKOSA-N 1 0 321.421 2.620 20 5 DFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087192635 426268057 /nfs/dbraw/zinc/26/80/57/426268057.db2.gz YLLNHTPJGCFMAL-HNNXBMFYSA-N 1 0 321.421 2.620 20 5 DFBDRO C[N@H+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000087304916 426269921 /nfs/dbraw/zinc/26/99/21/426269921.db2.gz LXIWTCPUWNMGEZ-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[N@H+](CCC1CC1)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000135258289 426210555 /nfs/dbraw/zinc/21/05/55/426210555.db2.gz UQRGZCGMFMRGGC-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO C[N@H+](CCC1CC1)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135253865 426211101 /nfs/dbraw/zinc/21/11/01/426211101.db2.gz KDIRGVGZWCDWFL-UHFFFAOYSA-N 1 0 311.769 2.919 20 5 DFBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000117342022 426212099 /nfs/dbraw/zinc/21/20/99/426212099.db2.gz SOYPUTRTHLTODL-UHFFFAOYSA-N 1 0 321.377 2.871 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090801606 426332311 /nfs/dbraw/zinc/33/23/11/426332311.db2.gz APJNATHAOXKTQA-HIFRSBDPSA-N 1 0 312.373 2.919 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2C)cc1[N+](=O)[O-] ZINC000090887873 426333587 /nfs/dbraw/zinc/33/35/87/426333587.db2.gz ONDULWYWBUTPEO-LLVKDONJSA-N 1 0 318.377 2.886 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000175156850 426283776 /nfs/dbraw/zinc/28/37/76/426283776.db2.gz PGXBGSNLHOACJU-AAEUAGOBSA-N 1 0 306.366 2.589 20 5 DFBDRO COc1ccc(CNCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000119397570 426285546 /nfs/dbraw/zinc/28/55/46/426285546.db2.gz LILMFRYDDPGCRI-UHFFFAOYSA-N 1 0 309.410 2.812 20 5 DFBDRO Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000153621949 426395764 /nfs/dbraw/zinc/39/57/64/426395764.db2.gz NHXIWRFOIKYUQK-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO NC(=O)[C@@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000092735337 426350940 /nfs/dbraw/zinc/35/09/40/426350940.db2.gz SRSDRDBIRRKXJI-IBGZPJMESA-N 1 0 320.392 2.679 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152771255 426353152 /nfs/dbraw/zinc/35/31/52/426353152.db2.gz NICYFESTAXUWQE-HIFRSBDPSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2C[C@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152803190 426355266 /nfs/dbraw/zinc/35/52/66/426355266.db2.gz JJBNPVRAJMUYLJ-ZIAGYGMSSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2C[C@@H]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000152803306 426355394 /nfs/dbraw/zinc/35/53/94/426355394.db2.gz JJBNPVRAJMUYLJ-KBPBESRZSA-N 1 0 317.389 2.964 20 5 DFBDRO Fc1cccc(F)c1-c1csc(C[N+]23CCN(CC2)CC3)n1 ZINC000122053376 426357328 /nfs/dbraw/zinc/35/73/28/426357328.db2.gz FKDKAYBGRZLSAU-UHFFFAOYSA-N 1 0 322.404 2.734 20 5 DFBDRO C[C@@H](c1cc(F)ccc1F)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000176211787 426360955 /nfs/dbraw/zinc/36/09/55/426360955.db2.gz ZEQTYMZMHXDOHQ-JTQLQIEISA-N 1 0 310.304 2.763 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@H]2c2ccccc2)n1 ZINC000176246617 426363614 /nfs/dbraw/zinc/36/36/14/426363614.db2.gz USRUGCHXKPQFDM-AWEZNQCLSA-N 1 0 318.402 2.581 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153107584 426371576 /nfs/dbraw/zinc/37/15/76/426371576.db2.gz MBDOEGIJIAKKTM-MLGOLLRUSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122467573 426376902 /nfs/dbraw/zinc/37/69/02/426376902.db2.gz AMDRRGBRZDAXLX-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122477781 426377671 /nfs/dbraw/zinc/37/76/71/426377671.db2.gz LSUNHOUWBJEICX-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122529173 426380371 /nfs/dbraw/zinc/38/03/71/426380371.db2.gz PCYCUGHJHOBHBE-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153357658 426381214 /nfs/dbraw/zinc/38/12/14/426381214.db2.gz CGEXYKPDMSBPTQ-IUODEOHRSA-N 1 0 318.377 2.543 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000122586746 426383251 /nfs/dbraw/zinc/38/32/51/426383251.db2.gz JQWNWHOQVPHKPW-CZUORRHYSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153907959 426412522 /nfs/dbraw/zinc/41/25/22/426412522.db2.gz RDILYYZAFYHUCI-VXGBXAGGSA-N 1 0 310.785 2.706 20 5 DFBDRO CC1(c2ccccc2)CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000153913694 426414306 /nfs/dbraw/zinc/41/43/06/426414306.db2.gz HSBNWESVBAIABX-UHFFFAOYSA-N 1 0 314.389 2.845 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153946577 426415425 /nfs/dbraw/zinc/41/54/25/426415425.db2.gz QMIUFYPOYISYNI-GLQYFDAESA-N 1 0 306.362 2.507 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153966992 426416402 /nfs/dbraw/zinc/41/64/02/426416402.db2.gz IHJIGKJXLRIZIL-QGZVFWFLSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176910333 426424196 /nfs/dbraw/zinc/42/41/96/426424196.db2.gz AHUQJQSZZULSGY-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177025153 426435110 /nfs/dbraw/zinc/43/51/10/426435110.db2.gz FOIHATCTGCNZKT-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177033015 426436344 /nfs/dbraw/zinc/43/63/44/426436344.db2.gz MCVMYBNYAREJNN-MWLCHTKSSA-N 1 0 323.780 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000177084260 426443277 /nfs/dbraw/zinc/44/32/77/426443277.db2.gz RSMXOQCOUYPMIS-JSGCOSHPSA-N 1 0 318.377 2.604 20 5 DFBDRO CO[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000340793142 269013799 /nfs/dbraw/zinc/01/37/99/269013799.db2.gz ZRKYMPSULLZUOI-MRXNPFEDSA-N 1 0 303.362 2.956 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341270817 269056183 /nfs/dbraw/zinc/05/61/83/269056183.db2.gz DJLAOBQWTSSGCN-UHFFFAOYSA-N 1 0 300.362 2.841 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000097257903 426461803 /nfs/dbraw/zinc/46/18/03/426461803.db2.gz BGRSEROBIHBCAL-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186394616 426518349 /nfs/dbraw/zinc/51/83/49/426518349.db2.gz MADMBALRRRSSEK-HZPDHXFCSA-N 1 0 320.389 2.659 20 5 DFBDRO COc1cc(C[NH2+]C(C)C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272446212 426528157 /nfs/dbraw/zinc/52/81/57/426528157.db2.gz PBAVQVHSAJZHBB-UHFFFAOYSA-N 1 0 304.293 2.745 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177835576 426528528 /nfs/dbraw/zinc/52/85/28/426528528.db2.gz MXECAUZICARAAN-DZGCQCFKSA-N 1 0 319.405 2.955 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195507546 426530481 /nfs/dbraw/zinc/53/04/81/426530481.db2.gz USEMZIIQJGDCLU-UHFFFAOYSA-N 1 0 300.362 2.740 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186503965 426541614 /nfs/dbraw/zinc/54/16/14/426541614.db2.gz CNJWVNWFPNQCFD-LBPRGKRZSA-N 1 0 323.780 2.605 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272534484 426551065 /nfs/dbraw/zinc/55/10/65/426551065.db2.gz BLDBADNZQHSXAK-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000177492656 426490145 /nfs/dbraw/zinc/49/01/45/426490145.db2.gz YJDHILYWUHVTIA-MDKANAEZSA-N 1 0 317.389 2.597 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000186295477 426501567 /nfs/dbraw/zinc/50/15/67/426501567.db2.gz LPAVMKMIRVIAIV-HZPDHXFCSA-N 1 0 320.389 2.659 20 5 DFBDRO CSC1(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000289027966 426570392 /nfs/dbraw/zinc/57/03/92/426570392.db2.gz GTCHLHBNIUAPCK-UHFFFAOYSA-N 1 0 307.419 2.612 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264548803 426571884 /nfs/dbraw/zinc/57/18/84/426571884.db2.gz CJVBTAQMWNWEQJ-HNNXBMFYSA-N 1 0 318.377 2.687 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000221643800 426578112 /nfs/dbraw/zinc/57/81/12/426578112.db2.gz JKLCSMPFVCXPIF-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](O)C3CC3)o2)cc1 ZINC000265108177 426582216 /nfs/dbraw/zinc/58/22/16/426582216.db2.gz VRPBJYAODZBFFV-HNNXBMFYSA-N 1 0 302.330 2.715 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000265105020 426582771 /nfs/dbraw/zinc/58/27/71/426582771.db2.gz AMGOKEZSRDEDIP-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO Cc1c(C[NH2+][C@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000273117142 426597433 /nfs/dbraw/zinc/59/74/33/426597433.db2.gz PALXHRUEUVHOOU-OAHLLOKOSA-N 1 0 304.321 2.866 20 5 DFBDRO CC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000265224731 426600765 /nfs/dbraw/zinc/60/07/65/426600765.db2.gz PEVPJZVPUDNOGF-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1ccccc1[N+](=O)[O-] ZINC000178347928 426612231 /nfs/dbraw/zinc/61/22/31/426612231.db2.gz BQHHKEMRSZRHMM-AWEZNQCLSA-N 1 0 306.362 2.901 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289260354 426615711 /nfs/dbraw/zinc/61/57/11/426615711.db2.gz FRAJRUQCKHYYHN-YOEHRIQHSA-N 1 0 303.406 2.962 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178376348 426618498 /nfs/dbraw/zinc/61/84/98/426618498.db2.gz AGUMHNNFPPLPRL-CVEARBPZSA-N 1 0 310.394 2.813 20 5 DFBDRO COCC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273276601 426633656 /nfs/dbraw/zinc/63/36/56/426633656.db2.gz NEGXHADJQBYFGQ-ZDUSSCGKSA-N 1 0 320.345 2.934 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230047940 426641230 /nfs/dbraw/zinc/64/12/30/426641230.db2.gz KJGOEBUYFNJRAM-LEWSCRJBSA-N 1 0 309.797 2.807 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)[nH]1 ZINC000273383188 426653625 /nfs/dbraw/zinc/65/36/25/426653625.db2.gz CHOVKTCBGVQMKF-CQSZACIVSA-N 1 0 315.377 2.709 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[C@H]1CCC[NH2+]1 ZINC000236142893 426663206 /nfs/dbraw/zinc/66/32/06/426663206.db2.gz RYGRNXCCGNFWNB-MRVPVSSYSA-N 1 0 304.272 2.563 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000236578814 426663893 /nfs/dbraw/zinc/66/38/93/426663893.db2.gz VTOPDMLZVXVXAX-QGZVFWFLSA-N 1 0 319.405 2.750 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280850577 426668898 /nfs/dbraw/zinc/66/88/98/426668898.db2.gz BNJJIMZDHTWCTI-GXTWGEPZSA-N 1 0 305.378 2.504 20 5 DFBDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178643056 426669563 /nfs/dbraw/zinc/66/95/63/426669563.db2.gz PFKZTRQILYLFRZ-GFCCVEGCSA-N 1 0 313.357 2.805 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178646765 426669936 /nfs/dbraw/zinc/66/99/36/426669936.db2.gz JGHQJLLSJVLRMO-CYBMUJFWSA-N 1 0 305.378 2.648 20 5 DFBDRO COc1ccc(CN[C@@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000187565001 426671982 /nfs/dbraw/zinc/67/19/82/426671982.db2.gz YPNFAYHHUXBNBG-AWEZNQCLSA-N 1 0 321.421 2.958 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488083 426672173 /nfs/dbraw/zinc/67/21/73/426672173.db2.gz RXTNGTYZDCJNOU-LLVKDONJSA-N 1 0 324.356 2.730 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cncc(F)c1 ZINC000178730105 426684425 /nfs/dbraw/zinc/68/44/25/426684425.db2.gz UNVBKODUXFIOLM-SNVBAGLBSA-N 1 0 305.309 2.988 20 5 DFBDRO COc1ccc(C[N@H+](CC2CCC2)[C@H](C)CO)cc1[N+](=O)[O-] ZINC000280639490 426622488 /nfs/dbraw/zinc/62/24/88/426622488.db2.gz YDUMMBXXRNLOGF-GFCCVEGCSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc(C[N@H+](CC2CCC2)[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000280639493 426623906 /nfs/dbraw/zinc/62/39/06/426623906.db2.gz YDUMMBXXRNLOGF-LBPRGKRZSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cnccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187064229 426626102 /nfs/dbraw/zinc/62/61/02/426626102.db2.gz ZJJJMJLDOIYYHF-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000178761768 426690448 /nfs/dbraw/zinc/69/04/48/426690448.db2.gz AKKHIIRCLCVYND-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO C[S@@](=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000280941151 426691143 /nfs/dbraw/zinc/69/11/43/426691143.db2.gz GHGTVMAONVPXIO-IVZQSRNASA-N 1 0 322.430 2.863 20 5 DFBDRO C[C@@H](C[NH+](C)C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000290210664 426717569 /nfs/dbraw/zinc/71/75/69/426717569.db2.gz VVJKOKDMQGETPI-NSHDSACASA-N 1 0 320.418 2.758 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000178781448 426693503 /nfs/dbraw/zinc/69/35/03/426693503.db2.gz ASBVDWGSGIXGQI-UKRRQHHQSA-N 1 0 316.405 2.751 20 5 DFBDRO CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265843922 426698772 /nfs/dbraw/zinc/69/87/72/426698772.db2.gz GYNMWVBAMSVXSU-CYBMUJFWSA-N 1 0 323.393 2.669 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000281799383 426768476 /nfs/dbraw/zinc/76/84/76/426768476.db2.gz YGAQGVQMNMGQMB-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266777507 426776320 /nfs/dbraw/zinc/77/63/20/426776320.db2.gz LQQSVDVAKSBCAV-NWANDNLSSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518355 426782890 /nfs/dbraw/zinc/78/28/90/426782890.db2.gz CBKUDNNKNXAIFF-QWRGUYRKSA-N 1 0 321.377 2.649 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000188123778 426725207 /nfs/dbraw/zinc/72/52/07/426725207.db2.gz UXPOXEQRSUGZDO-AWEZNQCLSA-N 1 0 317.389 2.638 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000266522419 426730902 /nfs/dbraw/zinc/73/09/02/426730902.db2.gz JBPUREITCDRRNQ-GFCCVEGCSA-N 1 0 317.389 2.646 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266547855 426736386 /nfs/dbraw/zinc/73/63/86/426736386.db2.gz SKDYZYTXUDDVIH-ZIAGYGMSSA-N 1 0 319.405 2.894 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245496465 426742818 /nfs/dbraw/zinc/74/28/18/426742818.db2.gz RLILVYVRQFDUCF-GOEBONIOSA-N 1 0 322.405 2.703 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000179149161 426758383 /nfs/dbraw/zinc/75/83/83/426758383.db2.gz HHYQZSPNLRRAOD-ZDUSSCGKSA-N 1 0 322.361 2.521 20 5 DFBDRO Cc1cnc(NC2CC[NH+](CCOC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000267001870 426810708 /nfs/dbraw/zinc/81/07/08/426810708.db2.gz DFGOMXDUPLYHNF-UHFFFAOYSA-N 1 0 322.409 2.600 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000267037553 426814310 /nfs/dbraw/zinc/81/43/10/426814310.db2.gz MAOFYEMAGDEVGS-ZDUSSCGKSA-N 1 0 307.394 2.519 20 5 DFBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccco2)C1 ZINC000246277968 426817557 /nfs/dbraw/zinc/81/75/57/426817557.db2.gz WOQQGEOJSXOIIJ-QWHCGFSZSA-N 1 0 304.350 2.858 20 5 DFBDRO CC(=O)c1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764904 426832951 /nfs/dbraw/zinc/83/29/51/426832951.db2.gz KNTQNMAUARZJNP-GXFFZTMASA-N 1 0 303.362 2.835 20 5 DFBDRO C[C@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@@H+]1C1CC1 ZINC000290785760 426839043 /nfs/dbraw/zinc/83/90/43/426839043.db2.gz NQXIZUQOSALYNL-WDEREUQCSA-N 1 0 302.378 2.600 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000295150951 426842121 /nfs/dbraw/zinc/84/21/21/426842121.db2.gz AFXQZCXKJRREST-VQISRLSMSA-N 1 0 324.327 2.920 20 5 DFBDRO CC(C)([NH2+]C[C@@H](O)c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000295195526 426858534 /nfs/dbraw/zinc/85/85/34/426858534.db2.gz LZMZFOTVIFRORP-OAHLLOKOSA-N 1 0 301.346 2.548 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000282219086 426854847 /nfs/dbraw/zinc/85/48/47/426854847.db2.gz YNBRAVNQFCNIFC-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180392579 426856717 /nfs/dbraw/zinc/85/67/17/426856717.db2.gz KRAAOSVCIWKNNS-MCIONIFRSA-N 1 0 319.405 2.750 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268109302 426914562 /nfs/dbraw/zinc/91/45/62/426914562.db2.gz GHBYECQPAVHSGU-SMDDNHRTSA-N 1 0 320.393 2.625 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000337682837 426920171 /nfs/dbraw/zinc/92/01/71/426920171.db2.gz NZRBXIODDDZJKI-UHFFFAOYSA-N 1 0 321.421 2.778 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298752 426866581 /nfs/dbraw/zinc/86/65/81/426866581.db2.gz UCZVXNOGXONZJD-MNOVXSKESA-N 1 0 310.785 2.706 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180578467 426871649 /nfs/dbraw/zinc/87/16/49/426871649.db2.gz XRAHMLULUGSPNJ-HIFRSBDPSA-N 1 0 315.377 2.632 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282352764 426889870 /nfs/dbraw/zinc/88/98/70/426889870.db2.gz PJXJJVOWRONZSM-GLQYFDAESA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295332297 426912790 /nfs/dbraw/zinc/91/27/90/426912790.db2.gz MAAFGUHOUCVMGL-ZDUSSCGKSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F ZINC000283106426 426953729 /nfs/dbraw/zinc/95/37/29/426953729.db2.gz MBVJDGRHBLFUND-LBPRGKRZSA-N 1 0 304.325 2.837 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000283117241 426955755 /nfs/dbraw/zinc/95/57/55/426955755.db2.gz YPPXWUPKMORCJR-CQSZACIVSA-N 1 0 300.362 2.804 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000283116592 426957105 /nfs/dbraw/zinc/95/71/05/426957105.db2.gz MRTHNNNYXWPWPR-NEPJUHHUSA-N 1 0 324.377 2.671 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000181511401 426959282 /nfs/dbraw/zinc/95/92/82/426959282.db2.gz XFOLGZIPEXRUIT-KRWDZBQOSA-N 1 0 322.405 2.895 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283311719 426994140 /nfs/dbraw/zinc/99/41/40/426994140.db2.gz ZBNPRICKRPXDNM-NXEZZACHSA-N 1 0 314.769 2.926 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1[NH+](C)C ZINC000268284444 426977854 /nfs/dbraw/zinc/97/78/54/426977854.db2.gz XGDLIUNRQKYNDM-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1C ZINC000248343198 426991077 /nfs/dbraw/zinc/99/10/77/426991077.db2.gz KAHTVVZBYJFVQW-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248343568 426991293 /nfs/dbraw/zinc/99/12/93/426991293.db2.gz KMDTYDAIZOBTDC-SRVKXCTJSA-N 1 0 321.377 2.661 20 5 DFBDRO CC1(C)C[C@H](O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295526128 426992782 /nfs/dbraw/zinc/99/27/82/426992782.db2.gz PTUVXEGYFIFGJB-GFCCVEGCSA-N 1 0 319.361 2.719 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000268185260 426942930 /nfs/dbraw/zinc/94/29/30/426942930.db2.gz UOGXILHDSXIPTF-LLVKDONJSA-N 1 0 309.366 2.524 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](Oc3ccccn3)C2)cc1F ZINC000283067049 426945052 /nfs/dbraw/zinc/94/50/52/426945052.db2.gz JWDGDCFCNHJDCM-ZDUSSCGKSA-N 1 0 317.320 2.782 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248888104 427059069 /nfs/dbraw/zinc/05/90/69/427059069.db2.gz IHRWVLCUHRQCJQ-JSGCOSHPSA-N 1 0 306.362 2.534 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337871001 427010417 /nfs/dbraw/zinc/01/04/17/427010417.db2.gz NRBLGOSLSWYOEV-LSDHHAIUSA-N 1 0 319.405 2.710 20 5 DFBDRO CC[N@@H+]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000291860290 427010440 /nfs/dbraw/zinc/01/04/40/427010440.db2.gz HTRPKPVZVVOQMZ-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO Cc1nc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486242 427030634 /nfs/dbraw/zinc/03/06/34/427030634.db2.gz MRPLQNSCPGUILW-BETUJISGSA-N 1 0 322.409 2.600 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510365 427037531 /nfs/dbraw/zinc/03/75/31/427037531.db2.gz UOSSGXWOSYELPS-SMDDNHRTSA-N 1 0 315.377 2.962 20 5 DFBDRO CCCN1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1=O ZINC000276383866 427050690 /nfs/dbraw/zinc/05/06/90/427050690.db2.gz LUMAVMMVWFZUGZ-CYBMUJFWSA-N 1 0 305.378 2.600 20 5 DFBDRO C[C@H]1[C@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130621 427086062 /nfs/dbraw/zinc/08/60/62/427086062.db2.gz JCIFTZJCZKVDHJ-TVQRCGJNSA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000182603468 427108363 /nfs/dbraw/zinc/10/83/63/427108363.db2.gz NBLCZGUXPTUGQW-OLZOCXBDSA-N 1 0 320.345 2.587 20 5 DFBDRO CC(C)N1CCC[C@@H]([NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000292202728 427129674 /nfs/dbraw/zinc/12/96/74/427129674.db2.gz SLFWOGADUPRIAY-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249531793 427125198 /nfs/dbraw/zinc/12/51/98/427125198.db2.gz ZMASXSPBCPEROE-CHWSQXEVSA-N 1 0 320.393 2.837 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000284063123 427128086 /nfs/dbraw/zinc/12/80/86/427128086.db2.gz AMBFYXURQFRLHO-ZENOOKHLSA-N 1 0 324.421 2.712 20 5 DFBDRO COc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000268839820 427133939 /nfs/dbraw/zinc/13/39/39/427133939.db2.gz OKMJYQCPCDGNMT-GXTWGEPZSA-N 1 0 305.378 2.524 20 5 DFBDRO Cc1cc(NC[C@@]2(O)CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000277214453 427139011 /nfs/dbraw/zinc/13/90/11/427139011.db2.gz KVMMRVXQHPGXRQ-HNNXBMFYSA-N 1 0 319.386 2.731 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000182769348 427144289 /nfs/dbraw/zinc/14/42/89/427144289.db2.gz LUWLNEYREIMQOU-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[NH+](C3CCC3)CC2)ccc1Cl ZINC000269031972 427145238 /nfs/dbraw/zinc/14/52/38/427145238.db2.gz AOBGZRQIMZVWII-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000292265465 427150890 /nfs/dbraw/zinc/15/08/90/427150890.db2.gz LCJIOJOONISVMC-LBPRGKRZSA-N 1 0 304.394 2.609 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000296338188 427153206 /nfs/dbraw/zinc/15/32/06/427153206.db2.gz RDDGWRRLIKKBEW-KMUNFCNLSA-N 1 0 324.352 2.646 20 5 DFBDRO CC(C)N1CCC[C@H]([NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1=O ZINC000292202724 427130471 /nfs/dbraw/zinc/13/04/71/427130471.db2.gz SLFWOGADUPRIAY-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182892710 427161718 /nfs/dbraw/zinc/16/17/18/427161718.db2.gz SCWUOQPKIVNUHF-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162497311 271085336 /nfs/dbraw/zinc/08/53/36/271085336.db2.gz FKMOVQNCHNUFJJ-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000296389363 427163237 /nfs/dbraw/zinc/16/32/37/427163237.db2.gz UFIKPQXPLJQKMX-WQVCFCJDSA-N 1 0 318.373 2.521 20 5 DFBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174852793 271140854 /nfs/dbraw/zinc/14/08/54/271140854.db2.gz ZDUXOMVDYHCDBW-JTQLQIEISA-N 1 0 309.395 2.558 20 5 DFBDRO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332388 271192735 /nfs/dbraw/zinc/19/27/35/271192735.db2.gz VLAOKZRPOUUYDS-HNNXBMFYSA-N 1 0 300.362 2.764 20 5 DFBDRO CC(C)(C)OC(=O)[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178530586 271194271 /nfs/dbraw/zinc/19/42/71/271194271.db2.gz GIBPBHRNTKKMSD-LLVKDONJSA-N 1 0 324.352 2.898 20 5 DFBDRO CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296540232 427217399 /nfs/dbraw/zinc/21/73/99/427217399.db2.gz FAILSNIJMHXVNB-FRRDWIJNSA-N 1 0 307.394 2.939 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000182997379 427177836 /nfs/dbraw/zinc/17/78/36/427177836.db2.gz HUIVMTHZAZVGJR-CYBMUJFWSA-N 1 0 307.394 2.668 20 5 DFBDRO COCC[N@H+](C)CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000296450801 427181565 /nfs/dbraw/zinc/18/15/65/427181565.db2.gz IQXCXYJTWYMYAM-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000183018720 427182626 /nfs/dbraw/zinc/18/26/26/427182626.db2.gz VVADIJWQXIDTMR-RYUDHWBXSA-N 1 0 323.393 2.956 20 5 DFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000269401949 427187998 /nfs/dbraw/zinc/18/79/98/427187998.db2.gz XETXZFQYXJMJHW-UHFFFAOYSA-N 1 0 301.293 2.702 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183050139 427190657 /nfs/dbraw/zinc/19/06/57/427190657.db2.gz QBGDBGFGLLTIDY-GHMZBOCLSA-N 1 0 309.366 2.566 20 5 DFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H](C)[N@H+]1C ZINC000292905547 427205192 /nfs/dbraw/zinc/20/51/92/427205192.db2.gz WZEHPSCTAWUIGN-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000183131080 427208939 /nfs/dbraw/zinc/20/89/39/427208939.db2.gz SLYZFTWWPMHTSL-IAQYHMDHSA-N 1 0 317.345 2.907 20 5 DFBDRO CCc1ccc([C@H](O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000285408695 427224903 /nfs/dbraw/zinc/22/49/03/427224903.db2.gz FTKGNRZNAPNBSG-QGZVFWFLSA-N 1 0 300.358 2.980 20 5 DFBDRO CCOC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183226695 427225769 /nfs/dbraw/zinc/22/57/69/427225769.db2.gz NGDDZTYLEQLBKZ-UHFFFAOYSA-N 1 0 306.362 2.678 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330407345 427231552 /nfs/dbraw/zinc/23/15/52/427231552.db2.gz RKNUPMQZUYPYKK-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(NC(=O)NCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000338322448 427258984 /nfs/dbraw/zinc/25/89/84/427258984.db2.gz IRZVINDWLGCOHH-UHFFFAOYSA-N 1 0 306.366 2.511 20 5 DFBDRO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183421344 427266235 /nfs/dbraw/zinc/26/62/35/427266235.db2.gz SBIDEBNROLOLRA-LLVKDONJSA-N 1 0 314.345 2.547 20 5 DFBDRO CCC[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000293269453 427267184 /nfs/dbraw/zinc/26/71/84/427267184.db2.gz UUHXCCZNJJJBKD-ZDUSSCGKSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330578517 427267953 /nfs/dbraw/zinc/26/79/53/427267953.db2.gz HSQKCFLUWHDHJF-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)CCNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338353044 427271172 /nfs/dbraw/zinc/27/11/72/427271172.db2.gz XEYPAQXXSNZQEI-AWEZNQCLSA-N 1 0 321.421 2.620 20 5 DFBDRO CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000330616021 427275519 /nfs/dbraw/zinc/27/55/19/427275519.db2.gz DDGHXXHHFWKRNE-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO C[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000255578888 427279070 /nfs/dbraw/zinc/27/90/70/427279070.db2.gz GLJDFKRDPRBSQR-XPSMFNQNSA-N 1 0 319.405 2.701 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285589262 427282818 /nfs/dbraw/zinc/28/28/18/427282818.db2.gz BEHIBDNBXYAFBM-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255617498 427282778 /nfs/dbraw/zinc/28/27/78/427282778.db2.gz QDEWSUZXESLAGF-YDZSZYSISA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255892060 427299883 /nfs/dbraw/zinc/29/98/83/427299883.db2.gz YJDHILYWUHVTIA-CNVATXPBSA-N 1 0 317.389 2.597 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)Nc1ccncc1[N+](=O)[O-])C(C)C ZINC000183610556 427301795 /nfs/dbraw/zinc/30/17/95/427301795.db2.gz VAJXSCGARQRURF-UHFFFAOYSA-N 1 0 323.397 2.620 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285738214 427322603 /nfs/dbraw/zinc/32/26/03/427322603.db2.gz RFAIWKNRZSOVIT-SGIREYDYSA-N 1 0 319.405 2.939 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CCC[NH+](C)C ZINC000191391564 427337215 /nfs/dbraw/zinc/33/72/15/427337215.db2.gz IPBRGNIOBXLSQQ-UHFFFAOYSA-N 1 0 308.382 2.627 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000331118358 427347245 /nfs/dbraw/zinc/34/72/45/427347245.db2.gz LNPCYEULPQJQAS-OLZOCXBDSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262044293 427349455 /nfs/dbraw/zinc/34/94/55/427349455.db2.gz CEJXPGBHTJFSLC-RYUDHWBXSA-N 1 0 300.362 2.943 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000183580284 427295982 /nfs/dbraw/zinc/29/59/82/427295982.db2.gz JBDJDDGRHJQWKQ-SGMGOOAPSA-N 1 0 306.362 2.581 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000271008191 427369715 /nfs/dbraw/zinc/36/97/15/427369715.db2.gz OCNXHGGIBXVZDU-UHFFFAOYSA-N 1 0 300.358 2.898 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2NCCC[NH+]2CCCCC2)s1 ZINC000286000469 427399053 /nfs/dbraw/zinc/39/90/53/427399053.db2.gz DIKMSHQLUHOUKB-UHFFFAOYSA-N 1 0 321.406 2.887 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690075 427406748 /nfs/dbraw/zinc/40/67/48/427406748.db2.gz KWNSJVFSBREAOI-NWDGAFQWSA-N 1 0 317.393 2.669 20 5 DFBDRO [NH3+]CC1(CC(=O)N2CCc3c2cccc3[N+](=O)[O-])CCCCC1 ZINC000184198571 427414826 /nfs/dbraw/zinc/41/48/26/427414826.db2.gz XWHIJRYYSFXVPP-UHFFFAOYSA-N 1 0 317.389 2.783 20 5 DFBDRO COCC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293839120 427457937 /nfs/dbraw/zinc/45/79/37/427457937.db2.gz WVHLHEWLIRYJEU-LBPRGKRZSA-N 1 0 323.393 2.574 20 5 DFBDRO COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000278806350 427459890 /nfs/dbraw/zinc/45/98/90/427459890.db2.gz NGIROUMHFIWMJL-IXDOHACOSA-N 1 0 320.389 2.756 20 5 DFBDRO C[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000297813610 427460884 /nfs/dbraw/zinc/46/08/84/427460884.db2.gz IQOWBZQVVIPMPE-UHFFFAOYSA-N 1 0 317.311 2.751 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000338746809 427468229 /nfs/dbraw/zinc/46/82/29/427468229.db2.gz RTLQHGMRKCMEKX-INIZCTEOSA-N 1 0 304.394 2.529 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278870436 427484042 /nfs/dbraw/zinc/48/40/42/427484042.db2.gz RVWQKMMKXZXXOF-QRTARXTBSA-N 1 0 322.405 2.700 20 5 DFBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000338783286 427485446 /nfs/dbraw/zinc/48/54/46/427485446.db2.gz VAIUTAOAZULCFT-CABCVRRESA-N 1 0 317.389 2.619 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000271153779 427421469 /nfs/dbraw/zinc/42/14/69/427421469.db2.gz AMDHOLUCNNPRLJ-AWEZNQCLSA-N 1 0 318.373 2.678 20 5 DFBDRO Cc1cccc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000338637938 427422204 /nfs/dbraw/zinc/42/22/04/427422204.db2.gz ZWVFQYQBNCKAIN-CQSZACIVSA-N 1 0 307.394 2.672 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293760514 427428762 /nfs/dbraw/zinc/42/87/62/427428762.db2.gz RGLGROZTFZWDBO-STQMWFEESA-N 1 0 307.394 2.798 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293760512 427429348 /nfs/dbraw/zinc/42/93/48/427429348.db2.gz RGLGROZTFZWDBO-QWHCGFSZSA-N 1 0 307.394 2.798 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000278379462 427429920 /nfs/dbraw/zinc/42/99/20/427429920.db2.gz LNDRBDWGXKXKQP-RYUDHWBXSA-N 1 0 304.394 2.848 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000297700706 427433937 /nfs/dbraw/zinc/43/39/37/427433937.db2.gz ATNTVLSCBBPBCC-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000271198623 427445905 /nfs/dbraw/zinc/44/59/05/427445905.db2.gz PKSANABZZIIUPS-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO C[N@H+](CCNc1ccc(N)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000286343377 427499583 /nfs/dbraw/zinc/49/95/83/427499583.db2.gz KKDXUWWJVJWCAB-UHFFFAOYSA-N 1 0 300.362 2.721 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000184607437 427501974 /nfs/dbraw/zinc/50/19/74/427501974.db2.gz GQRJWALEXZHTOC-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO CC(C)C(=O)NCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278993072 427524605 /nfs/dbraw/zinc/52/46/05/427524605.db2.gz FBOKCGSFYHIIEN-OAHLLOKOSA-N 1 0 319.405 2.679 20 5 DFBDRO C[N@H+](CCSc1ncc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000279007591 427529485 /nfs/dbraw/zinc/52/94/85/427529485.db2.gz GOTPROGAGXQKLL-UHFFFAOYSA-N 1 0 304.375 2.609 20 5 DFBDRO CCC[C@@H](C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000271449039 427541446 /nfs/dbraw/zinc/54/14/46/427541446.db2.gz QWYRIWTYDOFBST-CABCVRRESA-N 1 0 307.394 2.892 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271462614 427548267 /nfs/dbraw/zinc/54/82/67/427548267.db2.gz HNEFFLHTYQPLIF-KPXOXKRLSA-N 1 0 306.284 2.947 20 5 DFBDRO CCOC1(C)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298254875 427551203 /nfs/dbraw/zinc/55/12/03/427551203.db2.gz LHVZKNWPBDAFFA-OAHLLOKOSA-N 1 0 308.378 2.519 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000278886618 427489411 /nfs/dbraw/zinc/48/94/11/427489411.db2.gz YHXAYYJKCREQOF-QEJZJMRPSA-N 1 0 306.362 2.507 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338993677 427612107 /nfs/dbraw/zinc/61/21/07/427612107.db2.gz WWVNWHYWJLVESI-JTQLQIEISA-N 1 0 317.311 2.750 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000298465091 427617787 /nfs/dbraw/zinc/61/77/87/427617787.db2.gz RXSRMSGEUAOUGY-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000192836376 427621747 /nfs/dbraw/zinc/62/17/47/427621747.db2.gz LIFUZEWXAJCCRD-XJKCOSOUSA-N 1 0 319.405 2.972 20 5 DFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263756859 427562118 /nfs/dbraw/zinc/56/21/18/427562118.db2.gz QNXWOTIJPSDBJG-HNNXBMFYSA-N 1 0 319.405 2.723 20 5 DFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000298355646 427582045 /nfs/dbraw/zinc/58/20/45/427582045.db2.gz SZDFKSWVQXHJAC-JHJVBQTASA-N 1 0 317.389 2.745 20 5 DFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000263814461 427582570 /nfs/dbraw/zinc/58/25/70/427582570.db2.gz VJZPOCAIBLOASZ-UHFFFAOYSA-N 1 0 307.394 2.816 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000272030470 427606216 /nfs/dbraw/zinc/60/62/16/427606216.db2.gz WVMIGSXKOYEUBF-LBPRGKRZSA-N 1 0 316.357 2.947 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([C@@H](O)C(C)C)CC1 ZINC000272101556 427633447 /nfs/dbraw/zinc/63/34/47/427633447.db2.gz VSARDEXWDZGJPS-INIZCTEOSA-N 1 0 322.405 2.880 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000342222478 271970219 /nfs/dbraw/zinc/97/02/19/271970219.db2.gz FIDHZXMYRBDPTF-IVEQORNPSA-N 1 0 312.369 2.801 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC1(C[NH3+])CCCCC1 ZINC000185349740 427640204 /nfs/dbraw/zinc/64/02/04/427640204.db2.gz IAYVABLMLZVWKF-UHFFFAOYSA-N 1 0 319.405 2.853 20 5 DFBDRO C[C@H](O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373262 427641486 /nfs/dbraw/zinc/64/14/86/427641486.db2.gz BCJJYNLCAPOMAJ-VHSXEESVSA-N 1 0 318.295 2.816 20 5 DFBDRO COc1cc(C[N@H+](C)[C@H](CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000185373065 427641787 /nfs/dbraw/zinc/64/17/87/427641787.db2.gz RHHWKLNFXPDIFG-LBPRGKRZSA-N 1 0 314.357 2.581 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c1 ZINC000287572597 427645155 /nfs/dbraw/zinc/64/51/55/427645155.db2.gz GXIMRLMSQOAKBQ-DGCLKSJQSA-N 1 0 318.295 2.837 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279373824 427653328 /nfs/dbraw/zinc/65/33/28/427653328.db2.gz XHPSWTVJOLCNEC-MGPQQGTHSA-N 1 0 308.378 2.503 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)O[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378113 427655116 /nfs/dbraw/zinc/65/51/16/427655116.db2.gz SLNOFFNVNFJGIN-PXAZEXFGSA-N 1 0 320.389 2.993 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342312254 271989092 /nfs/dbraw/zinc/98/90/92/271989092.db2.gz OSZDZOJAIVQIIR-OAHLLOKOSA-N 1 0 318.348 2.736 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000343245837 272103110 /nfs/dbraw/zinc/10/31/10/272103110.db2.gz CTOOOWKCADIYCJ-CMPLNLGQSA-N 1 0 321.381 2.771 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000343408690 272139556 /nfs/dbraw/zinc/13/95/56/272139556.db2.gz ZMKCHHWFBFPLAT-MRXNPFEDSA-N 1 0 308.378 2.768 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343446405 272148968 /nfs/dbraw/zinc/14/89/68/272148968.db2.gz OQNWRWDSJUVCKU-JQWIXIFHSA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@@H+]1C ZINC000343488392 272158487 /nfs/dbraw/zinc/15/84/87/272158487.db2.gz FQOCOHFKQPRLPN-GXFFZTMASA-N 1 0 317.345 2.554 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC([N@H+](C)Cc3ccccc3)C2)n1 ZINC000343636518 272189800 /nfs/dbraw/zinc/18/98/00/272189800.db2.gz XHFHZNHIBJDXAC-UHFFFAOYSA-N 1 0 312.373 2.619 20 5 DFBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343645239 272191791 /nfs/dbraw/zinc/19/17/91/272191791.db2.gz JJSDXHBPIGFMGX-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000343890269 272232493 /nfs/dbraw/zinc/23/24/93/272232493.db2.gz SURWJBZXBCHVMN-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619067 427680923 /nfs/dbraw/zinc/68/09/23/427680923.db2.gz AKTZNIRZTRNZQB-DOMZBBRYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000344120914 272267964 /nfs/dbraw/zinc/26/79/64/272267964.db2.gz DTYUKHBGZFZIDZ-UHFFFAOYSA-N 1 0 309.797 2.965 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344183973 272282430 /nfs/dbraw/zinc/28/24/30/272282430.db2.gz XVSYJEZJXRGUQJ-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[S@](=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000344204581 272286845 /nfs/dbraw/zinc/28/68/45/272286845.db2.gz AQWMWHAODIGKFL-QFIPXVFZSA-N 1 0 318.398 2.665 20 5 DFBDRO CC[C@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344242983 272295989 /nfs/dbraw/zinc/29/59/89/272295989.db2.gz PIZRBEJRTLYVSX-MRXNPFEDSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000344278495 272303084 /nfs/dbraw/zinc/30/30/84/272303084.db2.gz URWXLOJVBZGOIW-BJJXKVORSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)n1 ZINC000344318258 272310873 /nfs/dbraw/zinc/31/08/73/272310873.db2.gz ABDJAPZYULGYGH-UHFFFAOYSA-N 1 0 321.764 2.984 20 5 DFBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344323868 272312355 /nfs/dbraw/zinc/31/23/55/272312355.db2.gz JXFAYILMONJIAK-AWEZNQCLSA-N 1 0 304.346 2.925 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000344693675 272356845 /nfs/dbraw/zinc/35/68/45/272356845.db2.gz BTIRFTRPXQMYQV-LSDHHAIUSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000344700523 272358015 /nfs/dbraw/zinc/35/80/15/272358015.db2.gz OZZHIMCZGZGAEE-AWEZNQCLSA-N 1 0 321.402 2.825 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccc(CO)o1 ZINC000272251813 427686495 /nfs/dbraw/zinc/68/64/95/427686495.db2.gz IEKPQNOWXCFJKQ-UHFFFAOYSA-N 1 0 310.737 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298721919 427686890 /nfs/dbraw/zinc/68/68/90/427686890.db2.gz JCNOUONJYYGNRK-UKRRQHHQSA-N 1 0 318.377 2.652 20 5 DFBDRO Cc1cc(N2C[C@H](O)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000279498809 427687905 /nfs/dbraw/zinc/68/79/05/427687905.db2.gz PDUCXRJNPZZDFL-HNNXBMFYSA-N 1 0 301.346 2.659 20 5 DFBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000298763298 427701234 /nfs/dbraw/zinc/70/12/34/427701234.db2.gz PUMNWDYVCXFXLU-UHFFFAOYSA-N 1 0 305.378 2.822 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000287849370 427703680 /nfs/dbraw/zinc/70/36/80/427703680.db2.gz LNTYSCHZKHNUKG-GFCCVEGCSA-N 1 0 314.345 2.905 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[C@H]1O ZINC000339189378 427724112 /nfs/dbraw/zinc/72/41/12/427724112.db2.gz QQXFZGBRQMJIFE-CHWSQXEVSA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000193725190 427708078 /nfs/dbraw/zinc/70/80/78/427708078.db2.gz IKZXOCCJYWHSOC-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000287937898 427719486 /nfs/dbraw/zinc/71/94/86/427719486.db2.gz RHQNEWKMQUVBQD-ONGXEEELSA-N 1 0 321.406 2.740 20 5 DFBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000299232438 427762483 /nfs/dbraw/zinc/76/24/83/427762483.db2.gz QKESWIOGZHLBAM-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[N@H+](CC)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000336863097 427765172 /nfs/dbraw/zinc/76/51/72/427765172.db2.gz MLGMZVCJDBOQEJ-UHFFFAOYSA-N 1 0 302.378 2.709 20 5 DFBDRO O=[N+]([O-])c1c(NCC[NH+]2CCSCC2)ccc2ncccc21 ZINC000336868204 427767568 /nfs/dbraw/zinc/76/75/68/427767568.db2.gz VQTUNULLMVGVNK-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO CCC[NH+]1CCC(CNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000301064718 427772606 /nfs/dbraw/zinc/77/26/06/427772606.db2.gz ARUOYLKBDZLKHE-UHFFFAOYSA-N 1 0 323.422 2.838 20 5 DFBDRO Cc1nn(C)c(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301211179 427782070 /nfs/dbraw/zinc/78/20/70/427782070.db2.gz VEMCJZPJAGQMFG-ZDUSSCGKSA-N 1 0 321.425 2.846 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000301224173 427782259 /nfs/dbraw/zinc/78/22/59/427782259.db2.gz ARBGUSGVWDQMIU-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO Cc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000301279841 427786514 /nfs/dbraw/zinc/78/65/14/427786514.db2.gz LXJOHUJBMFWBRW-AWEZNQCLSA-N 1 0 323.441 2.949 20 5 DFBDRO Cc1cccc(C(=O)NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000194219367 427735548 /nfs/dbraw/zinc/73/55/48/427735548.db2.gz HMYMMRVXXZIBDF-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000339253790 427743364 /nfs/dbraw/zinc/74/33/64/427743364.db2.gz UNVKOCDHJCEQSO-LLVKDONJSA-N 1 0 323.393 2.908 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299081307 427748700 /nfs/dbraw/zinc/74/87/00/427748700.db2.gz SGHKBBCGTYGYGL-OCCSQVGLSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000301562033 427805554 /nfs/dbraw/zinc/80/55/54/427805554.db2.gz KRPFJPGNYZBTIX-ZIAGYGMSSA-N 1 0 307.394 2.814 20 5 DFBDRO COc1cc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1F ZINC000301609804 427808846 /nfs/dbraw/zinc/80/88/46/427808846.db2.gz BPOHPXKWLDQJSN-UHFFFAOYSA-N 1 0 311.357 2.886 20 5 DFBDRO COc1cc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301613729 427809804 /nfs/dbraw/zinc/80/98/04/427809804.db2.gz HMURZFOTCCBSPV-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO CCC[N@@H+]1CCCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000301624677 427810638 /nfs/dbraw/zinc/81/06/38/427810638.db2.gz PGFKUCUBNAPEDO-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO Cc1nc(NCC[N@@H+](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000301630441 427810907 /nfs/dbraw/zinc/81/09/07/427810907.db2.gz CGWIIIPDDFAJQG-UHFFFAOYSA-N 1 0 318.352 2.981 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnc(OC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000337198327 427813663 /nfs/dbraw/zinc/81/36/63/427813663.db2.gz ZMEPYRAVDIWEFU-HNNXBMFYSA-N 1 0 316.361 2.943 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339703064 427814591 /nfs/dbraw/zinc/81/45/91/427814591.db2.gz WEZQSUUBCOXSFO-KRWDZBQOSA-N 1 0 322.405 2.834 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339707916 427815580 /nfs/dbraw/zinc/81/55/80/427815580.db2.gz QOILCDAOSXMFCN-KRWDZBQOSA-N 1 0 322.405 2.834 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000301847805 427829735 /nfs/dbraw/zinc/82/97/35/427829735.db2.gz NRYSEVJWGHBONB-NSHDSACASA-N 1 0 323.422 2.836 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337274898 427829820 /nfs/dbraw/zinc/82/98/20/427829820.db2.gz DJKAZZJZJJXENB-ZYHUDNBSSA-N 1 0 316.304 2.853 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000301926315 427841390 /nfs/dbraw/zinc/84/13/90/427841390.db2.gz JDYHMKOWICILTI-OCCSQVGLSA-N 1 0 309.341 2.781 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000302014171 427846016 /nfs/dbraw/zinc/84/60/16/427846016.db2.gz LAGNAVGTHSMNGZ-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO COC1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340441316 427850228 /nfs/dbraw/zinc/85/02/28/427850228.db2.gz OITIYNLPYZITEE-KBPBESRZSA-N 1 0 322.409 2.824 20 5 DFBDRO CCc1nn(C)c(N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000302473571 427851057 /nfs/dbraw/zinc/85/10/57/427851057.db2.gz WYUVZQKERMLVMH-GFCCVEGCSA-N 1 0 309.414 2.567 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354658 427861739 /nfs/dbraw/zinc/86/17/39/427861739.db2.gz BOQDTXLCTQGJFA-OCCSQVGLSA-N 1 0 303.362 2.798 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000304272704 427921798 /nfs/dbraw/zinc/92/17/98/427921798.db2.gz IQVIMOSQHUPVCM-NSHDSACASA-N 1 0 320.345 2.724 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176659 427980976 /nfs/dbraw/zinc/98/09/76/427980976.db2.gz UWPFHPYHTYWBPR-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341102918 427989056 /nfs/dbraw/zinc/98/90/56/427989056.db2.gz MHOSHFXUTIUXSA-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000345854327 427930520 /nfs/dbraw/zinc/93/05/20/427930520.db2.gz NBTMYCVCRNXZSY-CMPLNLGQSA-N 1 0 306.284 2.695 20 5 DFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000340151492 427938493 /nfs/dbraw/zinc/93/84/93/427938493.db2.gz CGAKLRKLTADQAR-DZGCQCFKSA-N 1 0 312.373 2.659 20 5 DFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ccncc2[N+](=O)[O-])C1 ZINC000340151494 427938873 /nfs/dbraw/zinc/93/88/73/427938873.db2.gz CGAKLRKLTADQAR-UKRRQHHQSA-N 1 0 312.373 2.659 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCCC[N@H+](C)C2CC2)c1 ZINC000413347121 428027783 /nfs/dbraw/zinc/02/77/83/428027783.db2.gz KHERYBPOFYXZKM-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000341132214 427999316 /nfs/dbraw/zinc/99/93/16/427999316.db2.gz VBAIFDOCNJDUSI-QWRGUYRKSA-N 1 0 323.422 2.979 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)CC[N@@H+]1C ZINC000413270000 428007497 /nfs/dbraw/zinc/00/74/97/428007497.db2.gz VAENXICRWOCIMN-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H](n4cccn4)C3)c2c1 ZINC000413307911 428016527 /nfs/dbraw/zinc/01/65/27/428016527.db2.gz ILLMOKQWPVIMBG-CQSZACIVSA-N 1 0 309.329 2.791 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](OCC2CC2)C1 ZINC000377212285 428085887 /nfs/dbraw/zinc/08/58/87/428085887.db2.gz ADQXKIKMAUAKKQ-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000360013380 428117148 /nfs/dbraw/zinc/11/71/48/428117148.db2.gz GDCZWDILOGAYON-STQMWFEESA-N 1 0 300.362 2.765 20 5 DFBDRO C[C@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1c1ccccc1 ZINC000370046244 428118319 /nfs/dbraw/zinc/11/83/19/428118319.db2.gz QMRTWJXFOXXPKF-DZGCQCFKSA-N 1 0 314.389 2.954 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000370047252 428121816 /nfs/dbraw/zinc/12/18/16/428121816.db2.gz WQXKZCPKJDPPMD-GFCCVEGCSA-N 1 0 320.780 2.971 20 5 DFBDRO CC[NH+](CC)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362552 428133887 /nfs/dbraw/zinc/13/38/87/428133887.db2.gz WCEDUWQVWVCMPV-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DFBDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539657 428142955 /nfs/dbraw/zinc/14/29/55/428142955.db2.gz BNFBKRWEBUFGFW-JSGCOSHPSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081574 428150631 /nfs/dbraw/zinc/15/06/31/428150631.db2.gz GMFGGMIRFWLCET-OCCSQVGLSA-N 1 0 307.369 2.963 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556396 428150630 /nfs/dbraw/zinc/15/06/30/428150630.db2.gz ZHUCTXHAVVCEAJ-HNNXBMFYSA-N 1 0 321.421 2.767 20 5 DFBDRO Nc1c(F)c(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000360088740 428156929 /nfs/dbraw/zinc/15/69/29/428156929.db2.gz QGRMLROWBLESAM-UHFFFAOYSA-N 1 0 308.357 2.745 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3cccc(F)c3)CC2)c1 ZINC000370237307 428165013 /nfs/dbraw/zinc/16/50/13/428165013.db2.gz YYNYZTHODRODRX-UHFFFAOYSA-N 1 0 316.336 2.720 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341805681 428210574 /nfs/dbraw/zinc/21/05/74/428210574.db2.gz HTVUTIFJKWMIHM-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360230066 428212595 /nfs/dbraw/zinc/21/25/95/428212595.db2.gz MAJDWBLZYSEKSU-YOEHRIQHSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1nc([C@@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000360271254 428231524 /nfs/dbraw/zinc/23/15/24/428231524.db2.gz OUCZNXGSVLUEJQ-LLVKDONJSA-N 1 0 320.324 2.805 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414211659 428235531 /nfs/dbraw/zinc/23/55/31/428235531.db2.gz VSLIRHZAWCBOMT-QWHCGFSZSA-N 1 0 323.393 2.574 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CS1 ZINC000414222849 428237354 /nfs/dbraw/zinc/23/73/54/428237354.db2.gz FXOLFGDXMFLCTG-MROQNXINSA-N 1 0 310.423 2.759 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000352766837 428237919 /nfs/dbraw/zinc/23/79/19/428237919.db2.gz DDYVMLCZEPPXDC-DYVFJYSZSA-N 1 0 317.389 2.566 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346501442 428197827 /nfs/dbraw/zinc/19/78/27/428197827.db2.gz ZLFQJWVYPGQLRJ-VXGBXAGGSA-N 1 0 320.393 2.850 20 5 DFBDRO CC(C)(C)[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000298748359 273498574 /nfs/dbraw/zinc/49/85/74/273498574.db2.gz TUMKLINIMIRUQA-UHFFFAOYSA-N 1 0 323.422 2.979 20 5 DFBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000377945629 428267596 /nfs/dbraw/zinc/26/75/96/428267596.db2.gz PVSKZOAPFULJRQ-PBHICJAKSA-N 1 0 314.389 2.917 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3cccc(F)c3)CC2)c1 ZINC000378002097 428285660 /nfs/dbraw/zinc/28/56/60/428285660.db2.gz QEXWIVSWAUHLHW-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000370737032 428286247 /nfs/dbraw/zinc/28/62/47/428286247.db2.gz HNACWAMNJZYYGE-INIZCTEOSA-N 1 0 306.362 2.619 20 5 DFBDRO O=[N+]([O-])c1cccnc1N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000370737495 428286494 /nfs/dbraw/zinc/28/64/94/428286494.db2.gz KCVBXNUOYIXOMD-FOLVSLTJSA-N 1 0 310.357 2.532 20 5 DFBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352795597 428252171 /nfs/dbraw/zinc/25/21/71/428252171.db2.gz DSMBVSJQKVTWPQ-DZGCQCFKSA-N 1 0 319.405 2.662 20 5 DFBDRO CCc1ccc(C(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000341932601 428254047 /nfs/dbraw/zinc/25/40/47/428254047.db2.gz RBSFMZMMSCHZKT-UHFFFAOYSA-N 1 0 302.378 2.916 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000346658798 428261510 /nfs/dbraw/zinc/26/15/10/428261510.db2.gz PTBIKGQAUKNYBY-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000342149685 428322517 /nfs/dbraw/zinc/32/25/17/428322517.db2.gz GGOGUQFRQWKBSI-WMLDXEAASA-N 1 0 318.373 2.760 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000346809587 428327408 /nfs/dbraw/zinc/32/74/08/428327408.db2.gz QIGJCCXJLLFOOQ-CQSZACIVSA-N 1 0 302.334 2.640 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414551028 428336613 /nfs/dbraw/zinc/33/66/13/428336613.db2.gz AMYIGOCJTSUFEV-JZLODUJNSA-N 1 0 318.373 2.883 20 5 DFBDRO CC(C)n1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000342192984 428344358 /nfs/dbraw/zinc/34/43/58/428344358.db2.gz UGQMIZMJDGFYQV-UHFFFAOYSA-N 1 0 323.784 2.753 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000193666717 273641339 /nfs/dbraw/zinc/64/13/39/273641339.db2.gz RCKMJCCVYWMNHG-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO CC[NH+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000302041601 273666299 /nfs/dbraw/zinc/66/62/99/273666299.db2.gz WPOLWPOXWMBLDK-UHFFFAOYSA-N 1 0 300.362 2.593 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769596 428396792 /nfs/dbraw/zinc/39/67/92/428396792.db2.gz MJYRWZJFVNLAID-NHYWBVRUSA-N 1 0 301.346 2.776 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765945 428397927 /nfs/dbraw/zinc/39/79/27/428397927.db2.gz GSABIACGGYCOMN-FZMZJTMJSA-N 1 0 301.346 2.776 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414768006 428398367 /nfs/dbraw/zinc/39/83/67/428398367.db2.gz JXVYHFVSTMHPDJ-YGRLFVJLSA-N 1 0 318.402 2.640 20 5 DFBDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000353131358 428398677 /nfs/dbraw/zinc/39/86/77/428398677.db2.gz YYECUTUQQXWYEI-QFIPXVFZSA-N 1 0 318.398 2.763 20 5 DFBDRO Cc1cccc(OCCN2CCc3ncc([N+](=O)[O-])cc3C2)c1 ZINC000353035396 428364208 /nfs/dbraw/zinc/36/42/08/428364208.db2.gz UZBSKCDTLFPXLN-UHFFFAOYSA-N 1 0 313.357 2.735 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414665137 428367149 /nfs/dbraw/zinc/36/71/49/428367149.db2.gz UOHKONHJXGSRHW-DGCLKSJQSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000414715039 428383665 /nfs/dbraw/zinc/38/36/65/428383665.db2.gz WBITXIRKVDFGBC-DGCLKSJQSA-N 1 0 306.366 2.542 20 5 DFBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000414716083 428384857 /nfs/dbraw/zinc/38/48/57/428384857.db2.gz WRCZKZGDNVKGFM-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CCOC(=O)c1cc(NCC[N@H+](CC)C(C)C)ccc1[N+](=O)[O-] ZINC000357239596 428451956 /nfs/dbraw/zinc/45/19/56/428451956.db2.gz PGBMQAHWZRXNEN-UHFFFAOYSA-N 1 0 323.393 2.914 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950736 428467852 /nfs/dbraw/zinc/46/78/52/428467852.db2.gz GKROHYRUDRHTPX-MLGOLLRUSA-N 1 0 315.373 2.942 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c([N+](=O)[O-])nc(C)n1CC ZINC000360900800 428483155 /nfs/dbraw/zinc/48/31/55/428483155.db2.gz AKKXSWLJNNKDBA-ZDUSSCGKSA-N 1 0 309.414 2.796 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000360915146 428488637 /nfs/dbraw/zinc/48/86/37/428488637.db2.gz VMRFWDHHPHPSCT-AWEZNQCLSA-N 1 0 321.425 2.574 20 5 DFBDRO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000394629643 428488722 /nfs/dbraw/zinc/48/87/22/428488722.db2.gz UPJCCOHBRXASQK-YUMQZZPRSA-N 1 0 302.172 2.813 20 5 DFBDRO C[C@H](CO)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000347230635 428503472 /nfs/dbraw/zinc/50/34/72/428503472.db2.gz OGSUTLHZMRTCAO-CYBMUJFWSA-N 1 0 308.378 2.599 20 5 DFBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000372975703 428508511 /nfs/dbraw/zinc/50/85/11/428508511.db2.gz OVECINHKEHJODJ-CYBMUJFWSA-N 1 0 309.322 2.504 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391525451 428479093 /nfs/dbraw/zinc/47/90/93/428479093.db2.gz FULSXPWIEKSWSE-DZGCQCFKSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415487199 428588974 /nfs/dbraw/zinc/58/89/74/428588974.db2.gz SUHCQRVPSROKCQ-CHWSQXEVSA-N 1 0 320.393 2.851 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415506779 428590919 /nfs/dbraw/zinc/59/09/19/428590919.db2.gz SADMQEVAHCVMAN-QOARYFPJSA-N 1 0 318.377 2.622 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000361153369 428541011 /nfs/dbraw/zinc/54/10/11/428541011.db2.gz HZNANOBHFNWGRA-XHDPSFHLSA-N 1 0 318.402 3.156 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000361153366 428541960 /nfs/dbraw/zinc/54/19/60/428541960.db2.gz HZNANOBHFNWGRA-ABAIWWIYSA-N 1 0 318.402 3.156 20 5 DFBDRO CCCC[N@@H+](CC(N)=O)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347348378 428558903 /nfs/dbraw/zinc/55/89/03/428558903.db2.gz XGTUFEVISNMQBJ-LCYFTJDESA-N 1 0 305.378 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415306879 428564370 /nfs/dbraw/zinc/56/43/70/428564370.db2.gz YPJAOISQHVEIKB-STQMWFEESA-N 1 0 320.393 2.803 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](C2CCC2)CC1 ZINC000353497106 428564663 /nfs/dbraw/zinc/56/46/63/428564663.db2.gz BVWCFMLKPDIBND-GQCTYLIASA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415298582 428564928 /nfs/dbraw/zinc/56/49/28/428564928.db2.gz PESIXIMSOORHSZ-CYBMUJFWSA-N 1 0 320.393 2.865 20 5 DFBDRO COC(=O)C1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347375194 428565310 /nfs/dbraw/zinc/56/53/10/428565310.db2.gz OFMQCIVVNZDVHO-WQLSENKSSA-N 1 0 304.346 2.541 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347573358 428608032 /nfs/dbraw/zinc/60/80/32/428608032.db2.gz VJRBFZYNVNJUJR-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000344033429 428611580 /nfs/dbraw/zinc/61/15/80/428611580.db2.gz BGDIICRRQOPHKK-UHFFFAOYSA-N 1 0 323.368 2.613 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000281023238 273980458 /nfs/dbraw/zinc/98/04/58/273980458.db2.gz XTSONZDJGWXQFA-INWMFGNUSA-N 1 0 320.389 2.705 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610580 428619317 /nfs/dbraw/zinc/61/93/17/428619317.db2.gz WXXYGGBWAUCSKB-ZDUSSCGKSA-N 1 0 315.373 2.991 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000127335628 274239084 /nfs/dbraw/zinc/23/90/84/274239084.db2.gz WETQXKJEBRNJNK-RKDXNWHRSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066532424 274293635 /nfs/dbraw/zinc/29/36/35/274293635.db2.gz XFFKZGXMRTWEDJ-CHWSQXEVSA-N 1 0 317.389 2.747 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408067148 274364315 /nfs/dbraw/zinc/36/43/15/274364315.db2.gz IXLYIASMIBEFFR-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO CCc1ccc([C@H](NCC[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000348329235 428711339 /nfs/dbraw/zinc/71/13/39/428711339.db2.gz QLQDGFNGKZNXCW-QGZVFWFLSA-N 1 0 317.389 2.991 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000374634328 428719902 /nfs/dbraw/zinc/71/99/02/428719902.db2.gz ZWFWAUBBWDONDG-HZPDHXFCSA-N 1 0 306.362 2.651 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362286232 428688027 /nfs/dbraw/zinc/68/80/27/428688027.db2.gz LAWYUCMQQNYVIP-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000374513463 428690403 /nfs/dbraw/zinc/69/04/03/428690403.db2.gz KPSMKLAJOCTKAO-ARFHVFGLSA-N 1 0 317.389 2.789 20 5 DFBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000358962922 428752150 /nfs/dbraw/zinc/75/21/50/428752150.db2.gz IBWQMCAOVNFWSS-OAHLLOKOSA-N 1 0 300.362 2.538 20 5 DFBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000363045053 428847635 /nfs/dbraw/zinc/84/76/35/428847635.db2.gz BRCZPLJYLGLAPS-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2c1OCO2 ZINC000348675022 428810017 /nfs/dbraw/zinc/81/00/17/428810017.db2.gz PJQMOIHZFAQLJV-UHFFFAOYSA-N 1 0 314.341 2.998 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000359103733 428819254 /nfs/dbraw/zinc/81/92/54/428819254.db2.gz UMQXJHCUTYCKGC-HNNXBMFYSA-N 1 0 318.421 2.919 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000354014840 428823799 /nfs/dbraw/zinc/82/37/99/428823799.db2.gz OIRRSCDYTARZDO-UKRRQHHQSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1ccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000375256595 428833968 /nfs/dbraw/zinc/83/39/68/428833968.db2.gz SWLNTXWEJDKLBO-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)C(F)(F)F)c([N+](=O)[O-])cc1OC ZINC000359134774 428834518 /nfs/dbraw/zinc/83/45/18/428834518.db2.gz QLJGQEGTENWOCE-MRVPVSSYSA-N 1 0 322.283 2.900 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c1 ZINC000375392803 428871784 /nfs/dbraw/zinc/87/17/84/428871784.db2.gz PBRKBFHYWDNHGX-CQSZACIVSA-N 1 0 304.325 2.768 20 5 DFBDRO [NH3+]CCN(Cc1c(F)cccc1F)c1ccccc1[N+](=O)[O-] ZINC000348904910 428872624 /nfs/dbraw/zinc/87/26/24/428872624.db2.gz OJXYPFBVEAWECE-UHFFFAOYSA-N 1 0 307.300 2.838 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363213119 428884430 /nfs/dbraw/zinc/88/44/30/428884430.db2.gz JMQJPCUVOBKWAZ-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000375468624 428891738 /nfs/dbraw/zinc/89/17/38/428891738.db2.gz FRWNDXMVSNKMQF-KCPJHIHWSA-N 1 0 308.353 2.979 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cc1 ZINC000411949976 428892220 /nfs/dbraw/zinc/89/22/20/428892220.db2.gz QUSLOAACLHYSQB-MSOLQXFVSA-N 1 0 312.369 2.945 20 5 DFBDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000354208175 428917549 /nfs/dbraw/zinc/91/75/49/428917549.db2.gz OLYQUQMYBBOMRV-UHFFFAOYSA-N 1 0 323.393 2.670 20 5 DFBDRO COc1ccc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1Cl ZINC000412047434 428923010 /nfs/dbraw/zinc/92/30/10/428923010.db2.gz UYXRJLCNZKMNEQ-UHFFFAOYSA-N 1 0 324.768 2.585 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177584827 274723397 /nfs/dbraw/zinc/72/33/97/274723397.db2.gz HHSYEWGCPHEHOD-QWHCGFSZSA-N 1 0 305.378 2.506 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412082666 428946928 /nfs/dbraw/zinc/94/69/28/428946928.db2.gz MVBZCYMKKPECDD-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000420172487 428948327 /nfs/dbraw/zinc/94/83/27/428948327.db2.gz VPTYCVIXPVXWCW-UHFFFAOYSA-N 1 0 312.373 3.339 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420237234 428950372 /nfs/dbraw/zinc/95/03/72/428950372.db2.gz BUNWRKMBDLVIIX-ZWNOBZJWSA-N 1 0 318.402 3.271 20 5 DFBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000349252923 428950356 /nfs/dbraw/zinc/95/03/56/428950356.db2.gz VQUYGXCPYDZEFS-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420274134 428955879 /nfs/dbraw/zinc/95/58/79/428955879.db2.gz MOKCDSSRQSOXRN-GXTWGEPZSA-N 1 0 312.373 3.196 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421713492 429020120 /nfs/dbraw/zinc/02/01/20/429020120.db2.gz STIPNKPGAQWNGV-AWEZNQCLSA-N 1 0 319.405 2.686 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000354986799 429022813 /nfs/dbraw/zinc/02/28/13/429022813.db2.gz YIUBPLZDRBLXGK-FRFSOERESA-N 1 0 322.405 2.700 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451793838 428976043 /nfs/dbraw/zinc/97/60/43/428976043.db2.gz WGVGNMLQKJPTGT-CQSZACIVSA-N 1 0 310.394 2.832 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423596503 428977406 /nfs/dbraw/zinc/97/74/06/428977406.db2.gz RRUMMKONAAAFEI-CHWSQXEVSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349388467 428981468 /nfs/dbraw/zinc/98/14/68/428981468.db2.gz ZDINUHUXAIPILA-UHFFFAOYSA-N 1 0 302.378 2.930 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451825362 428989454 /nfs/dbraw/zinc/98/94/54/428989454.db2.gz CYTQBOVDGYPCLV-JKSUJKDBSA-N 1 0 320.389 2.993 20 5 DFBDRO Cc1cnc(N2CC[NH+](CCC(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301423409 274826409 /nfs/dbraw/zinc/82/64/09/274826409.db2.gz FWSWYKGIXQUAFK-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CCc1ccc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000349562835 429005484 /nfs/dbraw/zinc/00/54/84/429005484.db2.gz DHMMLNFIAHCXLS-UHFFFAOYSA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452019702 429039929 /nfs/dbraw/zinc/03/99/29/429039929.db2.gz YYTANZWOJQUMPX-GFCCVEGCSA-N 1 0 317.389 2.747 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000421860763 429041453 /nfs/dbraw/zinc/04/14/53/429041453.db2.gz GXPVVBYXCRDCLB-AWEZNQCLSA-N 1 0 319.405 2.814 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000421882794 429043383 /nfs/dbraw/zinc/04/33/83/429043383.db2.gz CPTUCPZSNKJSLR-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000376219106 429078700 /nfs/dbraw/zinc/07/87/00/429078700.db2.gz DQCOPARGENVISP-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957262 429147594 /nfs/dbraw/zinc/14/75/94/429147594.db2.gz FADRCJSWMNXBQC-GHMZBOCLSA-N 1 0 309.341 2.781 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000423508103 429104211 /nfs/dbraw/zinc/10/42/11/429104211.db2.gz KLOILKBTDGAWGE-CQSZACIVSA-N 1 0 319.405 2.932 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413088390 429135151 /nfs/dbraw/zinc/13/51/51/429135151.db2.gz ULPISVVREDXRTN-VIFPVBQESA-N 1 0 318.299 2.903 20 5 DFBDRO CC(C)[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487747404 429167537 /nfs/dbraw/zinc/16/75/37/429167537.db2.gz GOOIPCMVWMTNTN-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301751706 275033498 /nfs/dbraw/zinc/03/34/98/275033498.db2.gz VDASOEWGWFYYJP-UHTWSYAYSA-N 1 0 322.796 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCOCC3)c([N+](=O)[O-])c1 ZINC000367448643 275035449 /nfs/dbraw/zinc/03/54/49/275035449.db2.gz LTQIKZPVEAEIBE-UHFFFAOYSA-N 1 0 321.333 2.648 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F ZINC000319883765 275036907 /nfs/dbraw/zinc/03/69/07/275036907.db2.gz JJRMJNJHVSHVGV-UWVGGRQHSA-N 1 0 315.295 2.659 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)n1 ZINC000185332608 275040531 /nfs/dbraw/zinc/04/05/31/275040531.db2.gz FBEFVNWXRPTEMH-NSHDSACASA-N 1 0 322.315 2.559 20 5 DFBDRO CC(C)C[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487914301 429173287 /nfs/dbraw/zinc/17/32/87/429173287.db2.gz QIKCVIXKSPGSTJ-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000364333282 429183880 /nfs/dbraw/zinc/18/38/80/429183880.db2.gz AXJYRRZCIYAWIW-CQSZACIVSA-N 1 0 316.361 2.507 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737792 429192645 /nfs/dbraw/zinc/19/26/45/429192645.db2.gz SGQHFZUSDOYVQH-HUBLWGQQSA-N 1 0 307.369 2.900 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495424988 429206697 /nfs/dbraw/zinc/20/66/97/429206697.db2.gz UTTKZQBSXPKIQY-OLZOCXBDSA-N 1 0 321.377 2.785 20 5 DFBDRO CCc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000489343044 429230755 /nfs/dbraw/zinc/23/07/55/429230755.db2.gz ZJCQHAYERAFIGL-MRXNPFEDSA-N 1 0 319.405 2.569 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364618816 429234113 /nfs/dbraw/zinc/23/41/13/429234113.db2.gz DRSGIZCZJHIHQQ-ARFHVFGLSA-N 1 0 304.390 2.883 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000364627483 429236416 /nfs/dbraw/zinc/23/64/16/429236416.db2.gz CTNHJWDPKWZFJR-KBPBESRZSA-N 1 0 318.352 2.893 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443524153 429254100 /nfs/dbraw/zinc/25/41/00/429254100.db2.gz SKINPUOKAGHJIU-GRYCIOLGSA-N 1 0 310.423 2.893 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365024710 429272443 /nfs/dbraw/zinc/27/24/43/429272443.db2.gz DBAZZWCOVJSWNC-ZIAGYGMSSA-N 1 0 312.373 3.182 20 5 DFBDRO Cc1nccn1CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449091528 429328376 /nfs/dbraw/zinc/32/83/76/429328376.db2.gz QBWWENYQUHEHLZ-ZDUSSCGKSA-N 1 0 302.378 2.711 20 5 DFBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131088 429341063 /nfs/dbraw/zinc/34/10/63/429341063.db2.gz JYUKWZKPNAVIQX-NEPJUHHUSA-N 1 0 302.378 2.919 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccccc1 ZINC000449138208 429341958 /nfs/dbraw/zinc/34/19/58/429341958.db2.gz BDPPXQDBQMFJAA-CZUORRHYSA-N 1 0 300.358 2.849 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000425479377 429304936 /nfs/dbraw/zinc/30/49/36/429304936.db2.gz NVRGSTGMZPODIM-OAHLLOKOSA-N 1 0 313.348 2.645 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426488704 429398166 /nfs/dbraw/zinc/39/81/66/429398166.db2.gz XJMRKAQZQJRMEK-TZMCWYRMSA-N 1 0 306.362 2.857 20 5 DFBDRO Cc1cc(C[C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000449192876 429354105 /nfs/dbraw/zinc/35/41/05/429354105.db2.gz RRUODJYZMFWCLF-RYUDHWBXSA-N 1 0 302.378 2.778 20 5 DFBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000449192875 429354257 /nfs/dbraw/zinc/35/42/57/429354257.db2.gz RRUODJYZMFWCLF-NWDGAFQWSA-N 1 0 302.378 2.778 20 5 DFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638882 429356849 /nfs/dbraw/zinc/35/68/49/429356849.db2.gz OGGDFPGSWCBNMT-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491437435 429359587 /nfs/dbraw/zinc/35/95/87/429359587.db2.gz RGKKTKWECSYERT-FPLPWBNLSA-N 1 0 317.389 2.551 20 5 DFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449325552 429388654 /nfs/dbraw/zinc/38/86/54/429388654.db2.gz NLTBGJKJYMCUNQ-NSHDSACASA-N 1 0 318.329 2.695 20 5 DFBDRO COc1cc(F)cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000449321848 429388780 /nfs/dbraw/zinc/38/87/80/429388780.db2.gz VAAQTKKWAJYXBM-UHFFFAOYSA-N 1 0 319.336 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449513244 429439543 /nfs/dbraw/zinc/43/95/43/429439543.db2.gz VPMKKAHODXAKEG-HOCLYGCPSA-N 1 0 308.353 2.621 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000366470818 429458611 /nfs/dbraw/zinc/45/86/11/429458611.db2.gz KQBSYKZKIZYUHZ-CQSZACIVSA-N 1 0 317.389 2.862 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000518212785 429413768 /nfs/dbraw/zinc/41/37/68/429413768.db2.gz PSRZPOZOUFEQCQ-HNNXBMFYSA-N 1 0 313.357 2.988 20 5 DFBDRO Cc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000457167155 429417051 /nfs/dbraw/zinc/41/70/51/429417051.db2.gz AHPQOVINPHWVHG-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@H]1C[NH+](CCSCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000518563934 429426719 /nfs/dbraw/zinc/42/67/19/429426719.db2.gz ADVRPXWVEQQDCA-STQMWFEESA-N 1 0 310.419 2.937 20 5 DFBDRO CC[N@H+](CCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000491886490 429427755 /nfs/dbraw/zinc/42/77/55/429427755.db2.gz ONYXJHYOSYRCPE-VURMDHGXSA-N 1 0 323.368 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CF)CCOCC2)c(F)c1 ZINC000449489837 429434224 /nfs/dbraw/zinc/43/42/24/429434224.db2.gz UWHDPWHNKLGXNK-UHFFFAOYSA-N 1 0 300.305 2.590 20 5 DFBDRO Cn1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449499987 429434890 /nfs/dbraw/zinc/43/48/90/429434890.db2.gz MYRZXMFCXPEWGB-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000366614501 429488066 /nfs/dbraw/zinc/48/80/66/429488066.db2.gz CYFUAUBOQATZKN-GFCCVEGCSA-N 1 0 316.361 2.706 20 5 DFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753109 429507736 /nfs/dbraw/zinc/50/77/36/429507736.db2.gz XENFRXDGFBSMGL-HIFRSBDPSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1nc(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450267027 429589144 /nfs/dbraw/zinc/58/91/44/429589144.db2.gz ARIQOUDUSAJZEJ-XHDPSFHLSA-N 1 0 307.398 2.616 20 5 DFBDRO CC(C)Oc1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000521460565 429553197 /nfs/dbraw/zinc/55/31/97/429553197.db2.gz FMROFTJVOAKPPS-CYBMUJFWSA-N 1 0 322.409 2.555 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000367037251 429563236 /nfs/dbraw/zinc/56/32/36/429563236.db2.gz KNXWSBYROBUCNT-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367071759 429571125 /nfs/dbraw/zinc/57/11/25/429571125.db2.gz CMMPUPMXALEEEZ-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035347 429576096 /nfs/dbraw/zinc/57/60/96/429576096.db2.gz LQESGOSDBQWBIK-XNJGSVPQSA-N 1 0 321.396 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000450253519 429585524 /nfs/dbraw/zinc/58/55/24/429585524.db2.gz OPTMEOYXSTXEEC-ZIAGYGMSSA-N 1 0 312.373 3.182 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492661049 429588886 /nfs/dbraw/zinc/58/88/86/429588886.db2.gz ZZCSLBIEHQQTBK-CABCVRRESA-N 1 0 320.389 2.994 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573955 429617683 /nfs/dbraw/zinc/61/76/83/429617683.db2.gz ONTKWMBSBBRWOC-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO C[N@H+](CCCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492955192 429652730 /nfs/dbraw/zinc/65/27/30/429652730.db2.gz JBQCUPWCARXNFG-YFHOEESVSA-N 1 0 317.389 2.599 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450318294 429597865 /nfs/dbraw/zinc/59/78/65/429597865.db2.gz VPYXUJZUYFUIIW-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492750376 429607296 /nfs/dbraw/zinc/60/72/96/429607296.db2.gz QKXKDJIUFFZPEI-OLZOCXBDSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492750378 429607612 /nfs/dbraw/zinc/60/76/12/429607612.db2.gz QKXKDJIUFFZPEI-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000429535923 429614034 /nfs/dbraw/zinc/61/40/34/429614034.db2.gz AKSPVRFYXBCECG-HNNXBMFYSA-N 1 0 321.421 2.704 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CCCC3)CC2)cn1 ZINC000525634026 429665945 /nfs/dbraw/zinc/66/59/45/429665945.db2.gz VJAUNNXHHFWSEU-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000430245036 429667163 /nfs/dbraw/zinc/66/71/63/429667163.db2.gz ZRMGUBICKKZJQA-KRWDZBQOSA-N 1 0 322.405 2.976 20 5 DFBDRO CC1=C[C@H](C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000430282958 429671269 /nfs/dbraw/zinc/67/12/69/429671269.db2.gz XQCVUVKZGTWIBG-LBPRGKRZSA-N 1 0 303.362 2.821 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(OC)c1 ZINC000176209068 276135019 /nfs/dbraw/zinc/13/50/19/276135019.db2.gz WFHHXGFHLGAOGR-ZDUSSCGKSA-N 1 0 318.377 2.883 20 5 DFBDRO CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000493113296 429691193 /nfs/dbraw/zinc/69/11/93/429691193.db2.gz FUWDRESPXBQUTD-XVJNWHFHSA-N 1 0 317.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450786657 429700161 /nfs/dbraw/zinc/70/01/61/429700161.db2.gz DLIRBRXPIMACRZ-TXEJJXNPSA-N 1 0 311.769 2.523 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000450792465 429701989 /nfs/dbraw/zinc/70/19/89/429701989.db2.gz NPWMWCXJQWMHFM-PHIMTYICSA-N 1 0 311.769 2.523 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857437 429711777 /nfs/dbraw/zinc/71/17/77/429711777.db2.gz CRVBLLSIKJFWHM-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000527034854 429719612 /nfs/dbraw/zinc/71/96/12/429719612.db2.gz HBNRTWRLJALJHA-UHFFFAOYSA-N 1 0 323.441 2.676 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000155345607 276434734 /nfs/dbraw/zinc/43/47/34/276434734.db2.gz RTTXXOSEXYZWKN-OAHLLOKOSA-N 1 0 305.378 2.648 20 5 DFBDRO Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc([N+](=O)[O-])c1 ZINC000368186686 429805335 /nfs/dbraw/zinc/80/53/35/429805335.db2.gz ACFFNGHUPSAFPL-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367946364 429750228 /nfs/dbraw/zinc/75/02/28/429750228.db2.gz XFGYQFKLWWYZJJ-QWHCGFSZSA-N 1 0 303.362 2.836 20 5 DFBDRO CCOc1cc(N2CC[C@@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000486929992 429753104 /nfs/dbraw/zinc/75/31/04/429753104.db2.gz BLMRNFRXARIOFI-CQSZACIVSA-N 1 0 307.394 2.914 20 5 DFBDRO C[N@H+](CCCCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000493399371 429753992 /nfs/dbraw/zinc/75/39/92/429753992.db2.gz ZADRBPGFVPLKEW-WDZFZDKYSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995507 429762094 /nfs/dbraw/zinc/76/20/94/429762094.db2.gz NBKRIYLXYGSDCQ-WCQYABFASA-N 1 0 300.362 2.834 20 5 DFBDRO CCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000493429517 429762320 /nfs/dbraw/zinc/76/23/20/429762320.db2.gz IPPYESXIYGWGIO-YYRKOSNBSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000487078536 429764102 /nfs/dbraw/zinc/76/41/02/429764102.db2.gz MSQDTEMMDHKBPT-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451077489 429764950 /nfs/dbraw/zinc/76/49/50/429764950.db2.gz BJSGIXSMVNEPOP-CYBMUJFWSA-N 1 0 319.405 2.520 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451109774 429770101 /nfs/dbraw/zinc/77/01/01/429770101.db2.gz ZBQJQQVPJXPAEJ-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO CCOc1cc(C[N@H+](C)CC[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000493734868 429820169 /nfs/dbraw/zinc/82/01/69/429820169.db2.gz GGXWMVPDGVKPJP-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO CCOc1cc(C[N@H+](C)CC[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000493734867 429820490 /nfs/dbraw/zinc/82/04/90/429820490.db2.gz GGXWMVPDGVKPJP-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564948 429868574 /nfs/dbraw/zinc/86/85/74/429868574.db2.gz YECRJOOTZVKOEN-NEPJUHHUSA-N 1 0 310.785 2.706 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451413659 429824368 /nfs/dbraw/zinc/82/43/68/429824368.db2.gz CGPJJJMJPLIWDQ-OAGGEKHMSA-N 1 0 320.389 2.729 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000493759948 429825287 /nfs/dbraw/zinc/82/52/87/429825287.db2.gz RWPAHYWCCYVULX-FPLPWBNLSA-N 1 0 317.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000451411330 429825318 /nfs/dbraw/zinc/82/53/18/429825318.db2.gz DWTSHRQLUHOXSS-ZACQAIPSSA-N 1 0 320.389 2.599 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451415259 429826726 /nfs/dbraw/zinc/82/67/26/429826726.db2.gz FNSQPUCKWDJPME-SQWLQELKSA-N 1 0 320.389 2.729 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000368316287 429830443 /nfs/dbraw/zinc/83/04/43/429830443.db2.gz PACLSJNXDDJXKV-AWEZNQCLSA-N 1 0 306.362 2.534 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000451472391 429832484 /nfs/dbraw/zinc/83/24/84/429832484.db2.gz SEZXLPRPSJXRMS-GOEBONIOSA-N 1 0 320.389 2.647 20 5 DFBDRO COC(=O)C1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451545180 429850421 /nfs/dbraw/zinc/85/04/21/429850421.db2.gz GVZISJKYNXOWRK-CQSZACIVSA-N 1 0 318.373 2.727 20 5 DFBDRO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551699 429851484 /nfs/dbraw/zinc/85/14/84/429851484.db2.gz UQFGPAIMGSFPMG-RDJZCZTQSA-N 1 0 322.405 2.560 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368498789 429858283 /nfs/dbraw/zinc/85/82/83/429858283.db2.gz KMXNXMAJOUSAGJ-UXEPBGEESA-N 1 0 317.389 2.611 20 5 DFBDRO CS[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000432332254 429814271 /nfs/dbraw/zinc/81/42/71/429814271.db2.gz VWKRPDRQIBYWJY-NEPJUHHUSA-N 1 0 315.826 2.730 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000368236271 429814507 /nfs/dbraw/zinc/81/45/07/429814507.db2.gz SSSXMNJFVWIOSB-WQVCFCJDSA-N 1 0 317.389 2.522 20 5 DFBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670613 429884715 /nfs/dbraw/zinc/88/47/15/429884715.db2.gz FGHMPIMFPISTHR-IAGOWNOFSA-N 1 0 317.389 2.570 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685881 429886807 /nfs/dbraw/zinc/88/68/07/429886807.db2.gz BZQCEGVRIXXWNQ-VXGBXAGGSA-N 1 0 300.362 2.834 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000368706261 429889141 /nfs/dbraw/zinc/88/91/41/429889141.db2.gz IOAVCIGYUJVJIU-BBWFWOEESA-N 1 0 320.389 2.719 20 5 DFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000368792718 429894540 /nfs/dbraw/zinc/89/45/40/429894540.db2.gz PVMKLBRDGQECFI-SFHVURJKSA-N 1 0 323.352 2.691 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000368824953 429896793 /nfs/dbraw/zinc/89/67/93/429896793.db2.gz MWEWKXLNKVIJRG-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc(CC[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369012987 429907318 /nfs/dbraw/zinc/90/73/18/429907318.db2.gz XGZMUGALAOMUPS-MRXNPFEDSA-N 1 0 314.389 2.979 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700756 429874430 /nfs/dbraw/zinc/87/44/30/429874430.db2.gz OPMUFDVZUYRTPD-DVOMOZLQSA-N 1 0 320.389 2.586 20 5 DFBDRO CC[C@H]1CN(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCO1 ZINC000494498099 429876312 /nfs/dbraw/zinc/87/63/12/429876312.db2.gz VACIGOWHCGPCAC-CABCVRRESA-N 1 0 321.421 2.665 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000573458687 429955350 /nfs/dbraw/zinc/95/53/50/429955350.db2.gz COYQTFSZTMLVFK-BQFCYCMXSA-N 1 0 316.401 2.969 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000573658106 429970372 /nfs/dbraw/zinc/97/03/72/429970372.db2.gz OCSQFWNVYLKVQC-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000573752035 429978231 /nfs/dbraw/zinc/97/82/31/429978231.db2.gz MKXCBFGQIDEHAK-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573149519 429930588 /nfs/dbraw/zinc/93/05/88/429930588.db2.gz RQJGZZZFUTXNCB-AWEZNQCLSA-N 1 0 321.421 2.937 20 5 DFBDRO C[NH+](C)C[C@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276637032 276802906 /nfs/dbraw/zinc/80/29/06/276802906.db2.gz OYIFLVPANIDMTG-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(C)c1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000573981543 430000414 /nfs/dbraw/zinc/00/04/14/430000414.db2.gz REXIEDHGILKXAX-OAHLLOKOSA-N 1 0 312.373 2.833 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000574123563 430011334 /nfs/dbraw/zinc/01/13/34/430011334.db2.gz FUDVBQNRVOHOSM-JTQLQIEISA-N 1 0 306.391 2.956 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574182708 430020665 /nfs/dbraw/zinc/02/06/65/430020665.db2.gz GFGKEQONOVJVKX-HNNXBMFYSA-N 1 0 309.797 2.824 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@@H]12 ZINC000560093593 430021208 /nfs/dbraw/zinc/02/12/08/430021208.db2.gz MAUTWAZFQMCCLK-KBMXLJTQSA-N 1 0 319.405 2.657 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562257432 430113118 /nfs/dbraw/zinc/11/31/18/430113118.db2.gz UBXKAMSVFGVPEQ-ZIAGYGMSSA-N 1 0 321.421 2.935 20 5 DFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547157 430132302 /nfs/dbraw/zinc/13/23/02/430132302.db2.gz WCTOMCHIMLARJI-IAQYHMDHSA-N 1 0 316.405 2.763 20 5 DFBDRO CC1(C)CCC([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581186670 430186380 /nfs/dbraw/zinc/18/63/80/430186380.db2.gz VUCVYHTWMMZLGS-CQSZACIVSA-N 1 0 322.405 2.893 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000295144048 277178982 /nfs/dbraw/zinc/17/89/82/277178982.db2.gz ZYNUKLIUBPVYFO-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@H]1CCC[NH2+]C1 ZINC000581894315 430249189 /nfs/dbraw/zinc/24/91/89/430249189.db2.gz OTTIOABPBBTSQZ-OAHLLOKOSA-N 1 0 319.405 2.722 20 5 DFBDRO O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000582132845 430271737 /nfs/dbraw/zinc/27/17/37/430271737.db2.gz AJUAEJAQJOLXAP-CABCVRRESA-N 1 0 317.389 2.618 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000544188817 430276425 /nfs/dbraw/zinc/27/64/25/430276425.db2.gz IOVMOTBBHAUHKS-ZFWWWQNUSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(OCc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000567986230 430301905 /nfs/dbraw/zinc/30/19/05/430301905.db2.gz MVBDXWJZBIXNMR-UHFFFAOYSA-N 1 0 313.357 2.831 20 5 DFBDRO Cc1ccc(CC[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000582899863 430345571 /nfs/dbraw/zinc/34/55/71/430345571.db2.gz NZDIOGOQGGBYCH-UHFFFAOYSA-N 1 0 317.345 2.657 20 5 DFBDRO CC(C)(CC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582900544 430346203 /nfs/dbraw/zinc/34/62/03/430346203.db2.gz PTSOAVADMYARPY-HNNXBMFYSA-N 1 0 322.405 2.750 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000568782061 430392923 /nfs/dbraw/zinc/39/29/23/430392923.db2.gz HNWHVZAUGSCARU-OAHLLOKOSA-N 1 0 319.405 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nccnc1C ZINC000569751292 430483328 /nfs/dbraw/zinc/48/33/28/430483328.db2.gz HNLYQNUORWIPAK-GFCCVEGCSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000590690372 430488243 /nfs/dbraw/zinc/48/82/43/430488243.db2.gz WHOXUPWWIMFCDG-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596308454 430513123 /nfs/dbraw/zinc/51/31/23/430513123.db2.gz SLVPHFWZGHWBPT-CQSZACIVSA-N 1 0 314.389 3.428 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000549248821 430521922 /nfs/dbraw/zinc/52/19/22/430521922.db2.gz YTSBCQAFSRDDDP-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000599137767 430527254 /nfs/dbraw/zinc/52/72/54/430527254.db2.gz CVGTXSKFRPKDBQ-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000570993911 430595582 /nfs/dbraw/zinc/59/55/82/430595582.db2.gz COVVSPOLRRHEJX-MRXNPFEDSA-N 1 0 318.377 2.862 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(C3CC3)C1)CCC2 ZINC000571193343 430612033 /nfs/dbraw/zinc/61/20/33/430612033.db2.gz FMMHSHODMVFHSU-GUYCJALGSA-N 1 0 301.390 2.799 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000554600018 430646602 /nfs/dbraw/zinc/64/66/02/430646602.db2.gz RMEYXJZRVMFBRH-AWEZNQCLSA-N 1 0 323.368 2.680 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186294175 278255507 /nfs/dbraw/zinc/25/55/07/278255507.db2.gz JJROTEBRGXPYLB-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000261956311 278305259 /nfs/dbraw/zinc/30/52/59/278305259.db2.gz NYDBXNGEQKDTBF-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000132433184 278318463 /nfs/dbraw/zinc/31/84/63/278318463.db2.gz JHLBLXYSZHTGEN-BDAKNGLRSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000276739174 278350242 /nfs/dbraw/zinc/35/02/42/278350242.db2.gz ADXRVNXWUCRCTC-NEPJUHHUSA-N 1 0 304.346 2.731 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1 ZINC000193926324 278379103 /nfs/dbraw/zinc/37/91/03/278379103.db2.gz SXXLJMOHYUZXSI-CHWSQXEVSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000186860962 278566766 /nfs/dbraw/zinc/56/67/66/278566766.db2.gz ISJDNTVAAGJABU-BXUZGUMPSA-N 1 0 319.405 2.620 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286359747 278970102 /nfs/dbraw/zinc/97/01/02/278970102.db2.gz NBHUSFGHCWKNPU-OLZOCXBDSA-N 1 0 316.405 2.626 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262888683 278985483 /nfs/dbraw/zinc/98/54/83/278985483.db2.gz OKVXUOKQXRCFFB-DGCLKSJQSA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193633479 279032810 /nfs/dbraw/zinc/03/28/10/279032810.db2.gz ZKGGGDKNMTWFED-FZMZJTMJSA-N 1 0 319.405 2.763 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289556655 279181865 /nfs/dbraw/zinc/18/18/65/279181865.db2.gz YDOVZFXSIKUBRB-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(OC)c1 ZINC000157679798 279213205 /nfs/dbraw/zinc/21/32/05/279213205.db2.gz DWJOBQWSNYTSNT-CYBMUJFWSA-N 1 0 318.377 2.883 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCCO1 ZINC000190651603 279274849 /nfs/dbraw/zinc/27/48/49/279274849.db2.gz YDTPMFKQDWBZKF-CYBMUJFWSA-N 1 0 308.378 2.659 20 5 DFBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[N@H+](C)C1CC1 ZINC000263955570 279345178 /nfs/dbraw/zinc/34/51/78/279345178.db2.gz SJUAONVTUUNJIR-SNVBAGLBSA-N 1 0 317.345 2.554 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000181807933 279465718 /nfs/dbraw/zinc/46/57/18/279465718.db2.gz XNXCKWYZGSHRRB-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000271344049 279487621 /nfs/dbraw/zinc/48/76/21/279487621.db2.gz DODFQQFMGCJKJS-WFASDCNBSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000356295954 279515700 /nfs/dbraw/zinc/51/57/00/279515700.db2.gz ZVUWBWBCMAXQAP-BJJXKVORSA-N 1 0 306.362 2.584 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000294846643 279840418 /nfs/dbraw/zinc/84/04/18/279840418.db2.gz NANQYKMGKGOMID-JTQLQIEISA-N 1 0 311.769 2.510 20 5 DFBDRO CC[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000265648612 280067001 /nfs/dbraw/zinc/06/70/01/280067001.db2.gz XTLHNKAEXVVHLZ-AWEZNQCLSA-N 1 0 307.394 2.674 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000374513465 280970894 /nfs/dbraw/zinc/97/08/94/280970894.db2.gz KPSMKLAJOCTKAO-JYJNAYRXSA-N 1 0 317.389 2.789 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000178352999 281012280 /nfs/dbraw/zinc/01/22/80/281012280.db2.gz NPANETSXTJNQCC-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287224954 281016457 /nfs/dbraw/zinc/01/64/57/281016457.db2.gz QIOVWMPETNBPIU-CZUORRHYSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000361375294 281185604 /nfs/dbraw/zinc/18/56/04/281185604.db2.gz CHJAXRWGKFYSBY-UONOGXRCSA-N 1 0 317.389 2.684 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286246684 289044399 /nfs/dbraw/zinc/04/43/99/289044399.db2.gz BZAKRUSAUHXGSL-ZYHUDNBSSA-N 1 0 310.785 2.706 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000361522515 289069443 /nfs/dbraw/zinc/06/94/43/289069443.db2.gz PHEGDSDQQHIZGS-CQSZACIVSA-N 1 0 310.394 2.703 20 5 DFBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000412837716 289098380 /nfs/dbraw/zinc/09/83/80/289098380.db2.gz HOBUMUKPNKSSMA-LLVKDONJSA-N 1 0 319.386 2.634 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415699481 289121395 /nfs/dbraw/zinc/12/13/95/289121395.db2.gz IZIQZXMLGULVOG-GFCCVEGCSA-N 1 0 320.393 2.766 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415763212 289132615 /nfs/dbraw/zinc/13/26/15/289132615.db2.gz NUJRVDJKGUQNTJ-JSGCOSHPSA-N 1 0 320.393 2.796 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415767287 289133162 /nfs/dbraw/zinc/13/31/62/289133162.db2.gz UEHDVSDUXZWNIJ-LLVKDONJSA-N 1 0 320.393 2.748 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415769360 289134023 /nfs/dbraw/zinc/13/40/23/289134023.db2.gz WUZRGHQOGQBOJP-GFCCVEGCSA-N 1 0 308.382 2.796 20 5 DFBDRO CC[NH+]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000157418749 295348222 /nfs/dbraw/zinc/34/82/22/295348222.db2.gz WWWSPPZFIYRPDC-UHFFFAOYSA-N 1 0 315.373 2.992 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC[C@H]1CCOC1 ZINC000158207920 295359694 /nfs/dbraw/zinc/35/96/94/295359694.db2.gz KEJGWQSBRTXHEZ-LSDHHAIUSA-N 1 0 322.405 2.997 20 5 DFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495479089 299930920 /nfs/dbraw/zinc/93/09/20/299930920.db2.gz GYYDMQYRXLLXKP-OCCSQVGLSA-N 1 0 321.377 2.551 20 5 DFBDRO CCCCNC(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000411753086 295557321 /nfs/dbraw/zinc/55/73/21/295557321.db2.gz BWGMEELUEBMGSZ-UHFFFAOYSA-N 1 0 307.394 2.726 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441280022 297178166 /nfs/dbraw/zinc/17/81/66/297178166.db2.gz BZNGRXPAIBWUMY-CABCVRRESA-N 1 0 320.389 2.722 20 5 DFBDRO CO[C@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000444230565 297233651 /nfs/dbraw/zinc/23/36/51/297233651.db2.gz ZTVLZSDRHLJSNU-CYBMUJFWSA-N 1 0 323.393 2.587 20 5 DFBDRO CC[C@@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446832509 297287796 /nfs/dbraw/zinc/28/77/96/297287796.db2.gz BRHDZZJLUAZZMQ-DGCLKSJQSA-N 1 0 318.377 2.766 20 5 DFBDRO COCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000447085430 297295145 /nfs/dbraw/zinc/29/51/45/297295145.db2.gz IQCJFLLTBBHUDE-CQSZACIVSA-N 1 0 314.769 2.533 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CCOCC2)n1 ZINC000447533230 297306815 /nfs/dbraw/zinc/30/68/15/297306815.db2.gz ZQFAHDGOCOSBEM-GJZGRUSLSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CCOCC2)n1 ZINC000447533231 297307043 /nfs/dbraw/zinc/30/70/43/297307043.db2.gz ZQFAHDGOCOSBEM-HUUCEWRRSA-N 1 0 322.409 2.681 20 5 DFBDRO CCC(CC)(CO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585866 297309636 /nfs/dbraw/zinc/30/96/36/297309636.db2.gz KLXPZUFBSLGZIF-KBPBESRZSA-N 1 0 324.425 2.663 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ccc(F)cn2)n1 ZINC000447589829 297309945 /nfs/dbraw/zinc/30/99/45/297309945.db2.gz ZCKOGHOBPJSMPN-ZIAGYGMSSA-N 1 0 319.340 2.599 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602926 297310280 /nfs/dbraw/zinc/31/02/80/297310280.db2.gz WFTDGYBQMXFJNB-CHWSQXEVSA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCCCO2)n1 ZINC000447598815 297310298 /nfs/dbraw/zinc/31/02/98/297310298.db2.gz WDMWWQHYYQUWDK-RRFJBIMHSA-N 1 0 322.409 2.824 20 5 DFBDRO Cc1ncc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000447603041 297310590 /nfs/dbraw/zinc/31/05/90/297310590.db2.gz WIJWXIXJVBEHSQ-OAHLLOKOSA-N 1 0 314.345 2.566 20 5 DFBDRO C[C@H](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[NH+]1CCCCC1 ZINC000447688735 297313009 /nfs/dbraw/zinc/31/30/09/297313009.db2.gz HXDKTXAEKNYPKO-GFCCVEGCSA-N 1 0 317.393 2.569 20 5 DFBDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449067538 297399850 /nfs/dbraw/zinc/39/98/50/297399850.db2.gz MHEHUCTVPCIVTJ-GFCCVEGCSA-N 1 0 316.405 2.708 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449079664 297402207 /nfs/dbraw/zinc/40/22/07/297402207.db2.gz ZTGNCZKGOVHOTQ-NWDGAFQWSA-N 1 0 302.378 2.919 20 5 DFBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449128579 297410210 /nfs/dbraw/zinc/41/02/10/297410210.db2.gz SOAHVRGSLFVJRI-NSHDSACASA-N 1 0 303.362 2.963 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)CC(F)(F)F ZINC000449144087 297412859 /nfs/dbraw/zinc/41/28/59/297412859.db2.gz IOYPNRZTYWKMKZ-NSHDSACASA-N 1 0 319.327 2.610 20 5 DFBDRO COc1nccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1 ZINC000449178253 297418454 /nfs/dbraw/zinc/41/84/54/297418454.db2.gz XIOSYMSMDOWEEN-UHFFFAOYSA-N 1 0 316.361 2.506 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000449538140 297488904 /nfs/dbraw/zinc/48/89/04/297488904.db2.gz KFSGGDQQTXSJJS-RDJZCZTQSA-N 1 0 313.357 3.000 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000451598831 297842115 /nfs/dbraw/zinc/84/21/15/297842115.db2.gz PFFAHBYWYBYVAL-YOEHRIQHSA-N 1 0 324.421 2.982 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451619129 297845675 /nfs/dbraw/zinc/84/56/75/297845675.db2.gz XDUDBSFZHQIHOO-DOTOQJQBSA-N 1 0 324.421 2.982 20 5 DFBDRO CCN1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453372755 298087628 /nfs/dbraw/zinc/08/76/28/298087628.db2.gz VEBGSQRSJOYBJK-ABAIWWIYSA-N 1 0 317.389 2.528 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000453634001 298107135 /nfs/dbraw/zinc/10/71/35/298107135.db2.gz RBGIYIVAGKQRMN-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000454350485 298159992 /nfs/dbraw/zinc/15/99/92/298159992.db2.gz CMVOWLIURBDHDF-LBPRGKRZSA-N 1 0 324.356 2.680 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000454349462 298160180 /nfs/dbraw/zinc/16/01/80/298160180.db2.gz AODZSEWTMVUQEU-CQSZACIVSA-N 1 0 306.366 2.541 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000455179359 298314077 /nfs/dbraw/zinc/31/40/77/298314077.db2.gz HQGRDMPHFQCFOF-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000113232291 300313978 /nfs/dbraw/zinc/31/39/78/300313978.db2.gz IZVDATXUXDQENM-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO CC(C)(C)[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516052164 300327887 /nfs/dbraw/zinc/32/78/87/300327887.db2.gz YMWOEEIRNHLYGV-OAHLLOKOSA-N 1 0 305.378 2.615 20 5 DFBDRO [NH3+][C@@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173861 300332842 /nfs/dbraw/zinc/33/28/42/300332842.db2.gz GGXVELKVLQCEHK-SJORKVTESA-N 1 0 313.357 2.708 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)c2cncnc2C)cc1[N+](=O)[O-] ZINC000516313335 300339734 /nfs/dbraw/zinc/33/97/34/300339734.db2.gz PKTWBIVLUCFJIY-SNVBAGLBSA-N 1 0 302.334 2.553 20 5 DFBDRO CC[NH+]1CCC(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000516384332 300340956 /nfs/dbraw/zinc/34/09/56/300340956.db2.gz DKXNXCFJYQRIKG-UHFFFAOYSA-N 1 0 304.394 2.707 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000516663707 300354784 /nfs/dbraw/zinc/35/47/84/300354784.db2.gz YKKLBEKYTLMJDE-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000517172268 300385731 /nfs/dbraw/zinc/38/57/31/300385731.db2.gz GMEDEWVMYFZLNG-GFCCVEGCSA-N 1 0 304.375 2.574 20 5 DFBDRO Cc1cccc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000517904220 300411153 /nfs/dbraw/zinc/41/11/53/300411153.db2.gz BLWMJNYFTIPZRG-WMLDXEAASA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000530359535 301042280 /nfs/dbraw/zinc/04/22/80/301042280.db2.gz PGZHGUOAXXMNCF-CABCVRRESA-N 1 0 315.377 2.768 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2ncccc2F)n1 ZINC000530418346 301047296 /nfs/dbraw/zinc/04/72/96/301047296.db2.gz RDCAUTRNCGBZDB-OCCSQVGLSA-N 1 0 319.340 2.599 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCc2ccccc21 ZINC000530904727 301071352 /nfs/dbraw/zinc/07/13/52/301071352.db2.gz GMDJTNBAGCDQKE-OAHLLOKOSA-N 1 0 300.362 2.801 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000531104773 301079299 /nfs/dbraw/zinc/07/92/99/301079299.db2.gz ZSSPHANNHJWZGH-KGLIPLIRSA-N 1 0 314.389 2.954 20 5 DFBDRO Cc1c(C[N@H+](CC(C)(C)O)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000531415963 301091065 /nfs/dbraw/zinc/09/10/65/301091065.db2.gz MYZVOXMLPJJRPD-UHFFFAOYSA-N 1 0 322.405 2.655 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C(N)=O)CCCC1 ZINC000531967800 301122304 /nfs/dbraw/zinc/12/23/04/301122304.db2.gz QYTFJAOSHMUUTD-LBPRGKRZSA-N 1 0 305.378 2.600 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](C)C1 ZINC000531984761 301123920 /nfs/dbraw/zinc/12/39/20/301123920.db2.gz ZSMMQVCFUTZEEL-LSDHHAIUSA-N 1 0 305.422 2.847 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@H](C)C1 ZINC000531984759 301124043 /nfs/dbraw/zinc/12/40/43/301124043.db2.gz ZSMMQVCFUTZEEL-GJZGRUSLSA-N 1 0 305.422 2.847 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000532024952 301125961 /nfs/dbraw/zinc/12/59/61/301125961.db2.gz QQKUUFDHXGXKTH-KGLIPLIRSA-N 1 0 318.373 2.998 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H](C)N1CCOCC1 ZINC000532485014 301155541 /nfs/dbraw/zinc/15/55/41/301155541.db2.gz DODCSYHNQZNIAJ-KKUMJFAQSA-N 1 0 321.421 2.663 20 5 DFBDRO C[C@H]1C[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000532582144 301160561 /nfs/dbraw/zinc/16/05/61/301160561.db2.gz NMZJQDNXLLQAAO-RYUDHWBXSA-N 1 0 319.361 2.623 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000532572161 301160875 /nfs/dbraw/zinc/16/08/75/301160875.db2.gz NQBUTMBQXMBFFC-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C2CCC2)c([N+](=O)[O-])c1 ZINC000532976595 301179387 /nfs/dbraw/zinc/17/93/87/301179387.db2.gz MAWDYZIKJKBTFZ-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000533068170 301184222 /nfs/dbraw/zinc/18/42/22/301184222.db2.gz SNTACUWYXGDIRZ-UHFFFAOYSA-N 1 0 306.362 2.950 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534342372 301229849 /nfs/dbraw/zinc/22/98/49/301229849.db2.gz MDURQBIJMGQYKJ-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249133 301251631 /nfs/dbraw/zinc/25/16/31/301251631.db2.gz XXCYPBJNMMLSQQ-HNNXBMFYSA-N 1 0 303.406 2.827 20 5 DFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536536994 301277458 /nfs/dbraw/zinc/27/74/58/301277458.db2.gz WFNAZZABCGLRQK-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000536852095 301291782 /nfs/dbraw/zinc/29/17/82/301291782.db2.gz LAFKWAKQHBDKEH-GRDNDAEWSA-N 1 0 320.389 2.892 20 5 DFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000537824118 301312298 /nfs/dbraw/zinc/31/22/98/301312298.db2.gz YJNADQLFMLAYJT-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000299577088 301430538 /nfs/dbraw/zinc/43/05/38/301430538.db2.gz CVWSJZSEZOTWPO-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000559938247 301879647 /nfs/dbraw/zinc/87/96/47/301879647.db2.gz UNJKGDKJCBQSJK-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000194469686 302039193 /nfs/dbraw/zinc/03/91/93/302039193.db2.gz INVJPUXBTLQKRR-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO O=C1CCCN1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000563270549 302056512 /nfs/dbraw/zinc/05/65/12/302056512.db2.gz YJHKQBSXYICHJY-MRXNPFEDSA-N 1 0 317.389 2.574 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000563662800 302091229 /nfs/dbraw/zinc/09/12/29/302091229.db2.gz FBYNXOFWGBWRIC-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582644 302142815 /nfs/dbraw/zinc/14/28/15/302142815.db2.gz FJPWNCJLMAVNPZ-BBRMVZONSA-N 1 0 303.406 2.904 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582649 302143120 /nfs/dbraw/zinc/14/31/20/302143120.db2.gz FJPWNCJLMAVNPZ-XJKSGUPXSA-N 1 0 303.406 2.904 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[C@@H]3CCC[NH2+]C3)c2)c1 ZINC000564927371 302174337 /nfs/dbraw/zinc/17/43/37/302174337.db2.gz VPVGAFTYPHQUAV-ZDUSSCGKSA-N 1 0 300.362 2.848 20 5 DFBDRO CC(C)(C)N1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000565219587 302208988 /nfs/dbraw/zinc/20/89/88/302208988.db2.gz YZDCPISAMXBBKP-FZMZJTMJSA-N 1 0 317.389 2.571 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000565664010 302236756 /nfs/dbraw/zinc/23/67/56/302236756.db2.gz CXEDOGFKUABJLL-AWEZNQCLSA-N 1 0 319.405 2.672 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000565992504 302251841 /nfs/dbraw/zinc/25/18/41/302251841.db2.gz ITPDEZLOLOCYCS-RDTXWAMCSA-N 1 0 314.385 2.892 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473496 302290525 /nfs/dbraw/zinc/29/05/25/302290525.db2.gz BNOGYLNJMBOZCO-XJKSGUPXSA-N 1 0 303.406 2.904 20 5 DFBDRO CC(C)[NH2+]C1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000567264316 302346186 /nfs/dbraw/zinc/34/61/86/302346186.db2.gz WDPNOPGUJWFRPK-UHFFFAOYSA-N 1 0 318.421 2.835 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000567331219 302350421 /nfs/dbraw/zinc/35/04/21/302350421.db2.gz FZWSUYOIVCFLJL-CQSZACIVSA-N 1 0 313.357 2.988 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000570563605 302579818 /nfs/dbraw/zinc/57/98/18/302579818.db2.gz KAURRUNHEAFLNH-AWEZNQCLSA-N 1 0 319.405 2.734 20 5 DFBDRO O=C(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000572985182 302687590 /nfs/dbraw/zinc/68/75/90/302687590.db2.gz ZFHDLDVWRGHNAW-HNNXBMFYSA-N 1 0 317.389 2.574 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccncc2)cc1[N+](=O)[O-] ZINC000181829626 316074760 /nfs/dbraw/zinc/07/47/60/316074760.db2.gz XXFJPAVWTGCJOZ-LBPRGKRZSA-N 1 0 314.345 2.588 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181909768 316077222 /nfs/dbraw/zinc/07/72/22/316077222.db2.gz UUMRRSJAMKVJHX-KFWWJZLASA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000182225943 316091319 /nfs/dbraw/zinc/09/13/19/316091319.db2.gz GVEFJGCSHRYZLT-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000183351028 316138668 /nfs/dbraw/zinc/13/86/68/316138668.db2.gz AZLWZUAENSXJBX-SFHVURJKSA-N 1 0 312.369 2.995 20 5 DFBDRO CCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCC1 ZINC000184908802 316176817 /nfs/dbraw/zinc/17/68/17/316176817.db2.gz KCMGUQQRLLVDBS-HNNXBMFYSA-N 1 0 307.394 2.705 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000314887919 316240478 /nfs/dbraw/zinc/24/04/78/316240478.db2.gz FTIMAMQLBNYEIK-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO [NH3+]CCC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000315805636 316243732 /nfs/dbraw/zinc/24/37/32/316243732.db2.gz QLNIDEWZNYOFIU-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c(F)c1 ZINC000319424329 316251306 /nfs/dbraw/zinc/25/13/06/316251306.db2.gz FZWBCGAWDROFAL-HZPDHXFCSA-N 1 0 307.369 2.840 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321559207 316256772 /nfs/dbraw/zinc/25/67/72/316256772.db2.gz FZPLXDZBTSXRDY-HZPDHXFCSA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c(F)c1 ZINC000414533665 316620370 /nfs/dbraw/zinc/62/03/70/316620370.db2.gz UIUXFZZPPWVWMW-ZDUSSCGKSA-N 1 0 322.311 2.739 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000421772439 316763073 /nfs/dbraw/zinc/76/30/73/316763073.db2.gz ZMSAIEZXDUUERX-CQSZACIVSA-N 1 0 321.421 2.918 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CC2(CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc21 ZINC000421881215 316780071 /nfs/dbraw/zinc/78/00/71/316780071.db2.gz OXBLYIVYWRDCHQ-CQSZACIVSA-N 1 0 317.389 2.562 20 5 DFBDRO CC1(C)C[C@@H]([NH2+][C@H](CO)CC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433089709 316874166 /nfs/dbraw/zinc/87/41/66/316874166.db2.gz PNYBOJZJLNHWAY-TVQRCGJNSA-N 1 0 314.332 2.923 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000449557496 317043452 /nfs/dbraw/zinc/04/34/52/317043452.db2.gz UTXHLSDJEVXVLV-QLFBSQMISA-N 1 0 320.389 2.586 20 5 DFBDRO CC(C)(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000449643185 317046619 /nfs/dbraw/zinc/04/66/19/317046619.db2.gz HQMFIVLARMYVIP-OCCSQVGLSA-N 1 0 319.405 2.506 20 5 DFBDRO CC(C)[N@H+](C)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853556 317139217 /nfs/dbraw/zinc/13/92/17/317139217.db2.gz NZYLKDKNTBSTMS-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000488071758 317365593 /nfs/dbraw/zinc/36/55/93/317365593.db2.gz SUUMMLNHGFZBPN-GFCCVEGCSA-N 1 0 316.405 2.953 20 5 DFBDRO COCCSCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000488231601 317377283 /nfs/dbraw/zinc/37/72/83/317377283.db2.gz NFNNAZMQJFMHDL-UHFFFAOYSA-N 1 0 310.419 2.723 20 5 DFBDRO Cc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC000543714336 317831829 /nfs/dbraw/zinc/83/18/29/317831829.db2.gz JNHQMDVJZIVNGM-UHFFFAOYSA-N 1 0 314.345 2.763 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000566482695 317952042 /nfs/dbraw/zinc/95/20/42/317952042.db2.gz PRDIGIJNJSNTRB-STQMWFEESA-N 1 0 305.378 2.666 20 5 DFBDRO CCSCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000574513414 318022913 /nfs/dbraw/zinc/02/29/13/318022913.db2.gz OSTMPFBUPJXJHO-UHFFFAOYSA-N 1 0 311.407 2.656 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(C)c1 ZINC000575034616 318058225 /nfs/dbraw/zinc/05/82/25/318058225.db2.gz SJFBZBDIGMYAIO-LLVKDONJSA-N 1 0 313.361 2.703 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000575764701 318082566 /nfs/dbraw/zinc/08/25/66/318082566.db2.gz ORFRFGGTSVXUSU-CJNGLKHVSA-N 1 0 319.405 2.639 20 5 DFBDRO CC[C@@H](CSC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575981560 318095591 /nfs/dbraw/zinc/09/55/91/318095591.db2.gz RKYXSYODFJUXFG-NSHDSACASA-N 1 0 311.407 2.655 20 5 DFBDRO CCCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCC1 ZINC000576863901 318155374 /nfs/dbraw/zinc/15/53/74/318155374.db2.gz NJHSLEMXTSELDB-CQSZACIVSA-N 1 0 322.405 2.895 20 5 DFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC000577904746 318225196 /nfs/dbraw/zinc/22/51/96/318225196.db2.gz URJVVBHJIITHIS-HOTGVXAUSA-N 1 0 320.389 2.863 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000578083131 318237020 /nfs/dbraw/zinc/23/70/20/318237020.db2.gz MHNCCTFHWUPOPC-HNNXBMFYSA-N 1 0 312.373 2.905 20 5 DFBDRO C[C@H]1CCCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667111 318277356 /nfs/dbraw/zinc/27/73/56/318277356.db2.gz GZIYJUSMBTVDLV-XJKSGUPXSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579258399 318318807 /nfs/dbraw/zinc/31/88/07/318318807.db2.gz LTJLKEFNWBJOON-NHYWBVRUSA-N 1 0 300.362 2.536 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCCC2 ZINC000579468068 318332426 /nfs/dbraw/zinc/33/24/26/318332426.db2.gz SGOKKBOJENPFNF-GJZGRUSLSA-N 1 0 316.405 2.907 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@@H+]3CCCC[C@H]13)CCCC2 ZINC000579468069 318332691 /nfs/dbraw/zinc/33/26/91/318332691.db2.gz SGOKKBOJENPFNF-HUUCEWRRSA-N 1 0 316.405 2.907 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579547681 318336942 /nfs/dbraw/zinc/33/69/42/318336942.db2.gz PYLKNNFCJIQTGY-AWEZNQCLSA-N 1 0 321.421 2.745 20 5 DFBDRO COC1(C[C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000579665685 318345327 /nfs/dbraw/zinc/34/53/27/318345327.db2.gz PGRAJGPZQVCBTO-CYBMUJFWSA-N 1 0 308.378 2.911 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000579706135 318348908 /nfs/dbraw/zinc/34/89/08/318348908.db2.gz YBRAIXJHDBKVOL-XJKSGUPXSA-N 1 0 320.389 2.994 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000579773175 318352589 /nfs/dbraw/zinc/35/25/89/318352589.db2.gz PDFVFYPMPWZXDN-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000579907053 318361294 /nfs/dbraw/zinc/36/12/94/318361294.db2.gz WQIMNSXOUJALDE-SWLSCSKDSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)n1 ZINC000580112554 318376850 /nfs/dbraw/zinc/37/68/50/318376850.db2.gz HFDMROYOCIYWOL-CQSZACIVSA-N 1 0 304.394 2.529 20 5 DFBDRO Cc1ccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000183165347 323217445 /nfs/dbraw/zinc/21/74/45/323217445.db2.gz MFMWTUBAEDKOOA-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194362228 323267147 /nfs/dbraw/zinc/26/71/47/323267147.db2.gz GRZOEBGNXZSKRW-HZSPNIEDSA-N 1 0 308.378 2.503 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000382461273 323299659 /nfs/dbraw/zinc/29/96/59/323299659.db2.gz WDXREOJGTDRCOJ-YUMQZZPRSA-N 1 0 304.272 2.548 20 5 DFBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CC[NH2+]C1 ZINC000580713733 323424641 /nfs/dbraw/zinc/42/46/41/323424641.db2.gz ISBMKLZCDXRPPJ-AWEZNQCLSA-N 1 0 301.346 2.649 20 5 DFBDRO CC1(C)CCC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581186669 323488302 /nfs/dbraw/zinc/48/83/02/323488302.db2.gz VUCVYHTWMMZLGS-AWEZNQCLSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@H](C(=O)NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581861167 323578722 /nfs/dbraw/zinc/57/87/22/323578722.db2.gz JDCNRGVLQPTSFR-AWEZNQCLSA-N 1 0 319.405 2.691 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000584182446 331858515 /nfs/dbraw/zinc/85/85/15/331858515.db2.gz AUHSFOWTMMWNHH-ISTRZQFTSA-N 1 0 318.373 2.510 20 5 DFBDRO C[C@]1(O)CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000177991452 333134192 /nfs/dbraw/zinc/13/41/92/333134192.db2.gz DRCKWOMBUIKENM-IBGZPJMESA-N 1 0 309.365 2.903 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000305863155 533825137 /nfs/dbraw/zinc/82/51/37/533825137.db2.gz YSGJGPODTXAOQK-WMLDXEAASA-N 1 0 320.389 2.730 20 5 DFBDRO Cc1cc(N2CC[NH+](C(C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302022086 533899312 /nfs/dbraw/zinc/89/93/12/533899312.db2.gz OIYHUFPKUOCEFO-UHFFFAOYSA-N 1 0 314.389 2.982 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2CCC(CF)CC2)cccc1[N+](=O)[O-] ZINC000295161370 533900427 /nfs/dbraw/zinc/90/04/27/533900427.db2.gz OTSVSOGUKKUGLH-UHFFFAOYSA-N 1 0 323.368 2.913 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000317001691 533995708 /nfs/dbraw/zinc/99/57/08/533995708.db2.gz SYDINFWNXIUPPW-JSGCOSHPSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000298161364 534066466 /nfs/dbraw/zinc/06/64/66/534066466.db2.gz PRZMSTXGIORMFD-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1ccc(C[C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176244021 518188947 /nfs/dbraw/zinc/18/89/47/518188947.db2.gz WTHULDQCBMUNEC-MRXNPFEDSA-N 1 0 314.389 2.807 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339097677 519842797 /nfs/dbraw/zinc/84/27/97/519842797.db2.gz ZXAWYSVXVBIQJP-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000173784016 521496485 /nfs/dbraw/zinc/49/64/85/521496485.db2.gz AJRSQSOELYRROX-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO COc1cc(C[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])cc1F ZINC000363821529 522374440 /nfs/dbraw/zinc/37/44/40/522374440.db2.gz NVCRSZMNSVJJGP-GFCCVEGCSA-N 1 0 312.341 2.743 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000320702350 534881436 /nfs/dbraw/zinc/88/14/36/534881436.db2.gz OJNPLAAWESYHKG-ZJUUUORDSA-N 1 0 319.390 2.638 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H]3CCOC4(CCC4)C3)nc2c1 ZINC000296698261 534883458 /nfs/dbraw/zinc/88/34/58/534883458.db2.gz IAKHJJDVESNJKS-LLVKDONJSA-N 1 0 316.361 2.662 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000365293821 526872598 /nfs/dbraw/zinc/87/25/98/526872598.db2.gz UYSWBFVNSXLBLL-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000321575996 527216756 /nfs/dbraw/zinc/21/67/56/527216756.db2.gz PRGLZGXLVHHGKL-BBRMVZONSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)C(N)=O ZINC000294917880 527231116 /nfs/dbraw/zinc/23/11/16/527231116.db2.gz YNQWCXMIEMKCKF-CQSZACIVSA-N 1 0 319.405 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031261 527351125 /nfs/dbraw/zinc/35/11/25/527351125.db2.gz IJLRDQSCOIQCED-CHWSQXEVSA-N 1 0 309.797 2.965 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000180760104 527394771 /nfs/dbraw/zinc/39/47/71/527394771.db2.gz CHEQBDLPRMYSGC-KRWDZBQOSA-N 1 0 313.357 2.688 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369005734 527402706 /nfs/dbraw/zinc/40/27/06/527402706.db2.gz WCOMLKUULZLNSX-HIFRSBDPSA-N 1 0 305.378 2.508 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000330435254 528201925 /nfs/dbraw/zinc/20/19/25/528201925.db2.gz AUPPXCQNUTUHAZ-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CCNC(=O)[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000293629240 528213749 /nfs/dbraw/zinc/21/37/49/528213749.db2.gz LGILGKZMESCXPO-CJNGLKHVSA-N 1 0 321.421 2.666 20 5 DFBDRO CCOc1cc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301966847 528314353 /nfs/dbraw/zinc/31/43/53/528314353.db2.gz VXSSJSFEXNXEBZ-TZMCWYRMSA-N 1 0 305.378 2.666 20 5 DFBDRO CCOc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317042251 528314438 /nfs/dbraw/zinc/31/44/38/528314438.db2.gz OMAUXZYLAOPJFR-YUTCNCBUSA-N 1 0 305.378 2.557 20 5 DFBDRO CC(C)c1nnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294798995 528444014 /nfs/dbraw/zinc/44/40/14/528444014.db2.gz MSNCAIBNJGRUEE-LBPRGKRZSA-N 1 0 317.393 2.947 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000317231079 529046813 /nfs/dbraw/zinc/04/68/13/529046813.db2.gz ZSUHJFTZCUHGOY-CQSZACIVSA-N 1 0 302.378 2.953 20 5 DFBDRO CCC(CC)(C[NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236661608 534931325 /nfs/dbraw/zinc/93/13/25/534931325.db2.gz CYNCUBQREGSNEX-UHFFFAOYSA-N 1 0 321.421 2.799 20 5 DFBDRO CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000358274469 535054933 /nfs/dbraw/zinc/05/49/33/535054933.db2.gz NCIZLVFXXXDNRD-UHFFFAOYSA-N 1 0 302.378 2.950 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000358154315 535807925 /nfs/dbraw/zinc/80/79/25/535807925.db2.gz NTJUWFVXEGVZBL-WMLDXEAASA-N 1 0 321.421 2.746 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000360998260 535969774 /nfs/dbraw/zinc/96/97/74/535969774.db2.gz ZIQCORYSTZHYOD-UHFFFAOYSA-N 1 0 321.425 2.939 20 5 DFBDRO CCc1nn(C)c(NC[C@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000361044330 536182488 /nfs/dbraw/zinc/18/24/88/536182488.db2.gz SRBOWWADVSXSBN-CYBMUJFWSA-N 1 0 323.441 2.671 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361515970 536392587 /nfs/dbraw/zinc/39/25/87/536392587.db2.gz MYPOYZQPEPDVLX-LSDHHAIUSA-N 1 0 318.377 2.685 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000361423065 536759631 /nfs/dbraw/zinc/75/96/31/536759631.db2.gz ADPXQXVGONEMHF-INIZCTEOSA-N 1 0 308.378 2.994 20 5 DFBDRO COc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261956135 536825480 /nfs/dbraw/zinc/82/54/80/536825480.db2.gz NXHWBYDKDVGFAO-CQSZACIVSA-N 1 0 305.378 2.572 20 5 DFBDRO COCCOCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278347194 214106196 /nfs/dbraw/zinc/10/61/96/214106196.db2.gz YKIPQNFYJQRNLB-INIZCTEOSA-N 1 0 308.378 2.615 20 5 DFBDRO CCOC1CC(O)(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000278435002 214151333 /nfs/dbraw/zinc/15/13/33/214151333.db2.gz JVFLAUJGUTZFPF-PCKAHOCUSA-N 1 0 308.378 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(NCC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000278467484 214173020 /nfs/dbraw/zinc/17/30/20/214173020.db2.gz NJMXYSAUKDACNW-UHFFFAOYSA-N 1 0 315.377 2.757 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278584046 214255725 /nfs/dbraw/zinc/25/57/25/214255725.db2.gz TWJRFGHPOJORPW-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(C[NH2+]Cc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000278591831 214261759 /nfs/dbraw/zinc/26/17/59/214261759.db2.gz ZQDCAYPQSQQSLA-UHFFFAOYSA-N 1 0 305.309 2.736 20 5 DFBDRO CC1CCC([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078991296 185142478 /nfs/dbraw/zinc/14/24/78/185142478.db2.gz CCJWODRNFDQDHW-ZBCRRDGASA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1c(C[NH2+][C@@H](Cn2cccn2)C(C)C)cccc1[N+](=O)[O-] ZINC000318987342 231178589 /nfs/dbraw/zinc/17/85/89/231178589.db2.gz JTTQTFFFURETBB-HNNXBMFYSA-N 1 0 302.378 2.914 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000320917623 231198198 /nfs/dbraw/zinc/19/81/98/231198198.db2.gz CIRXEEBGCIEXDA-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000591915868 398353175 /nfs/dbraw/zinc/35/31/75/398353175.db2.gz XQZSYDOBCVJMOF-WCQYABFASA-N 1 0 304.394 2.763 20 5 DFBDRO Cc1nc(N2CC[N@@H+](C)C3(CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000596251635 398368471 /nfs/dbraw/zinc/36/84/71/398368471.db2.gz UBILXHPOMJVDNG-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000008337719 398372299 /nfs/dbraw/zinc/37/22/99/398372299.db2.gz RCWCUEOIOQCCIW-AWEZNQCLSA-N 1 0 315.377 2.577 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3O)o2)c1 ZINC000237997531 398376921 /nfs/dbraw/zinc/37/69/21/398376921.db2.gz LEWCELXNPKAWBQ-GJZGRUSLSA-N 1 0 302.330 2.858 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000090177798 185285117 /nfs/dbraw/zinc/28/51/17/185285117.db2.gz BDVZSTLQWUKSJD-CHWSQXEVSA-N 1 0 319.405 2.953 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090180705 185285282 /nfs/dbraw/zinc/28/52/82/185285282.db2.gz PWWKXBPKMAMPMB-CJNGLKHVSA-N 1 0 317.389 2.789 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090512072 185299755 /nfs/dbraw/zinc/29/97/55/185299755.db2.gz JDYLUEDXTKPWQP-QGZVFWFLSA-N 1 0 315.373 2.743 20 5 DFBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154400 398393760 /nfs/dbraw/zinc/39/37/60/398393760.db2.gz RQINLMVOEJFNQJ-ZFWWWQNUSA-N 1 0 306.410 2.940 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000592156409 398393974 /nfs/dbraw/zinc/39/39/74/398393974.db2.gz PUGYCYAANZRXIU-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592181282 398397308 /nfs/dbraw/zinc/39/73/08/398397308.db2.gz LEKYHXSKPBVRSY-WUHRBBMRSA-N 1 0 303.362 2.700 20 5 DFBDRO COC(=O)c1cccc(OC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000584715241 398401230 /nfs/dbraw/zinc/40/12/30/398401230.db2.gz NQHMSZDFBIHYAV-HAQNSBGRSA-N 1 0 322.361 2.525 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592199091 398401281 /nfs/dbraw/zinc/40/12/81/398401281.db2.gz WVMWIGNDHMQOQV-HNNXBMFYSA-N 1 0 317.389 2.848 20 5 DFBDRO CCc1nn(C)c(NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302183873 529767644 /nfs/dbraw/zinc/76/76/44/529767644.db2.gz SOTOJBANFAWYIT-LBPRGKRZSA-N 1 0 309.414 2.567 20 5 DFBDRO CCc1nn(C)c(N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301988606 529767651 /nfs/dbraw/zinc/76/76/51/529767651.db2.gz NTHQDWAPWNOBRT-RWMBFGLXSA-N 1 0 323.441 2.669 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000016599406 398402217 /nfs/dbraw/zinc/40/22/17/398402217.db2.gz SBGBUOMOCVNKJP-LBPRGKRZSA-N 1 0 319.386 2.689 20 5 DFBDRO COC[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000272805831 210206121 /nfs/dbraw/zinc/20/61/21/210206121.db2.gz FRECXIDYRSBVTG-LBPRGKRZSA-N 1 0 305.334 2.525 20 5 DFBDRO CC[N@H+](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000584754723 398406172 /nfs/dbraw/zinc/40/61/72/398406172.db2.gz YAAUVBINZQEBON-ZDUSSCGKSA-N 1 0 307.394 2.545 20 5 DFBDRO C[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000066924678 398408151 /nfs/dbraw/zinc/40/81/51/398408151.db2.gz JZKLYWKPCZJPAU-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000097024536 185398900 /nfs/dbraw/zinc/39/89/00/185398900.db2.gz FBSZPKHKSBWVIT-OAHLLOKOSA-N 1 0 307.394 2.672 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000596439120 398411978 /nfs/dbraw/zinc/41/19/78/398411978.db2.gz BQRTUVOHNYDYOD-NSHDSACASA-N 1 0 324.356 2.728 20 5 DFBDRO CC[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000592330460 398412403 /nfs/dbraw/zinc/41/24/03/398412403.db2.gz AYLYOGRIGOERKN-GWCFXTLKSA-N 1 0 317.345 2.540 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596440589 398412883 /nfs/dbraw/zinc/41/28/83/398412883.db2.gz KIFWDOAGOVMLMC-CYBMUJFWSA-N 1 0 306.366 2.589 20 5 DFBDRO CNC(=O)C(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272781418 210185441 /nfs/dbraw/zinc/18/54/41/210185441.db2.gz AIZIDSORHFMUHA-UHFFFAOYSA-N 1 0 316.361 2.636 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)CC(F)F)c([N+](=O)[O-])cc1O ZINC000592372560 398417232 /nfs/dbraw/zinc/41/72/32/398417232.db2.gz LXCYWFOXDMUQSI-QMMMGPOBSA-N 1 0 304.293 2.690 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C[C@@H](C)CC ZINC000592375127 398417388 /nfs/dbraw/zinc/41/73/88/398417388.db2.gz RLTMCAZUMPDPDD-JSGCOSHPSA-N 1 0 310.394 2.880 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596446781 398414301 /nfs/dbraw/zinc/41/43/01/398414301.db2.gz NSZPXHYYKPCUFL-LBPRGKRZSA-N 1 0 306.366 2.589 20 5 DFBDRO CC(C)(c1nc([C@H]2CCC[NH2+]2)no1)c1ccccc1[N+](=O)[O-] ZINC000592356391 398414389 /nfs/dbraw/zinc/41/43/89/398414389.db2.gz UCGVJCQKFBRXKM-LLVKDONJSA-N 1 0 302.334 2.728 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584830452 398418102 /nfs/dbraw/zinc/41/81/02/398418102.db2.gz RLPJSBVPEWJNSY-SJORKVTESA-N 1 0 319.405 2.580 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592421313 398424230 /nfs/dbraw/zinc/42/42/30/398424230.db2.gz CJNOVEXDCCRZOC-CQSZACIVSA-N 1 0 318.377 2.699 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592425661 398424339 /nfs/dbraw/zinc/42/43/39/398424339.db2.gz ICUDMZFBSQAECY-AWEZNQCLSA-N 1 0 318.377 2.699 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426343 398424450 /nfs/dbraw/zinc/42/44/50/398424450.db2.gz WPAGAOIRMUPKRH-DOTOQJQBSA-N 1 0 303.406 2.867 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426344 398424518 /nfs/dbraw/zinc/42/45/18/398424518.db2.gz WPAGAOIRMUPKRH-NVXWUHKLSA-N 1 0 303.406 2.867 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596486951 398427013 /nfs/dbraw/zinc/42/70/13/398427013.db2.gz CAFLMLRATIVUIQ-UHFFFAOYSA-N 1 0 308.382 2.837 20 5 DFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000592395466 398421166 /nfs/dbraw/zinc/42/11/66/398421166.db2.gz BRTBAWBBJZXAKK-LJISPDSOSA-N 1 0 324.425 2.662 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592396078 398421223 /nfs/dbraw/zinc/42/12/23/398421223.db2.gz GLDYHUPBFLJMOL-SUMWQHHRSA-N 1 0 322.405 2.731 20 5 DFBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000592400065 398421604 /nfs/dbraw/zinc/42/16/04/398421604.db2.gz QGPKXPFAAPGTCN-RVMXOQNASA-N 1 0 310.423 2.759 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000067200098 398423129 /nfs/dbraw/zinc/42/31/29/398423129.db2.gz JZRJYKOCGKGEGA-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000024208490 398429341 /nfs/dbraw/zinc/42/93/41/398429341.db2.gz ZGOOCAWITCOAQN-UHFFFAOYSA-N 1 0 323.422 2.613 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000088701413 398439860 /nfs/dbraw/zinc/43/98/60/398439860.db2.gz QWEYOKMOPJZVFK-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000459433050 299105264 /nfs/dbraw/zinc/10/52/64/299105264.db2.gz ZYPPZFJJQPFJOT-CFVMTHIKSA-N 1 0 310.419 2.636 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571306 398450693 /nfs/dbraw/zinc/45/06/93/398450693.db2.gz UEIHYRCUDCXKHA-CQSZACIVSA-N 1 0 321.425 2.654 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571305 398450472 /nfs/dbraw/zinc/45/04/72/398450472.db2.gz UEIHYRCUDCXKHA-AWEZNQCLSA-N 1 0 321.425 2.654 20 5 DFBDRO CCCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026465263 398453441 /nfs/dbraw/zinc/45/34/41/398453441.db2.gz SXKUFFCOXSYHLB-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000027271264 398461350 /nfs/dbraw/zinc/46/13/50/398461350.db2.gz XJJCRGALWDFRQB-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO CCCC[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000027272435 398461404 /nfs/dbraw/zinc/46/14/04/398461404.db2.gz KXZAKGRTLUUYFT-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000596635521 398467378 /nfs/dbraw/zinc/46/73/78/398467378.db2.gz LVCDLWXJDGLNTJ-LBPRGKRZSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1cc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000459473208 299115333 /nfs/dbraw/zinc/11/53/33/299115333.db2.gz BCDYVSSINGOKPK-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC)cc1 ZINC000181805383 199354629 /nfs/dbraw/zinc/35/46/29/199354629.db2.gz ASPBNAKOHLNECM-AWEZNQCLSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@H](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[S@](C)=O ZINC000090514572 398488566 /nfs/dbraw/zinc/48/85/66/398488566.db2.gz QPCZLCXKHFYRAO-XTCJLCLGSA-N 1 0 324.446 2.663 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000592828597 398492169 /nfs/dbraw/zinc/49/21/69/398492169.db2.gz XZXSURLQPPLXHG-UHFFFAOYSA-N 1 0 320.393 2.695 20 5 DFBDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030142096 398496227 /nfs/dbraw/zinc/49/62/27/398496227.db2.gz LIYPEOMMAFNISO-CYBMUJFWSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cccc([C@@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000304303740 398502981 /nfs/dbraw/zinc/50/29/81/398502981.db2.gz MCOFADHXKZCYQQ-MRXNPFEDSA-N 1 0 316.357 2.735 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000068443397 398504797 /nfs/dbraw/zinc/50/47/97/398504797.db2.gz GSKKRFDWYVWLDA-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000031144739 398512195 /nfs/dbraw/zinc/51/21/95/398512195.db2.gz PHAOKPZMMXAKBU-UHFFFAOYSA-N 1 0 319.405 2.979 20 5 DFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3cnccc23)CC1 ZINC000068722473 398522474 /nfs/dbraw/zinc/52/24/74/398522474.db2.gz ZQFRGZBQJIGHBR-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO COc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000286893716 219213867 /nfs/dbraw/zinc/21/38/67/219213867.db2.gz LGXRGUSJESLGGI-HIFRSBDPSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317052790 398533457 /nfs/dbraw/zinc/53/34/57/398533457.db2.gz UBYWTQHLZNYMIA-DGCLKSJQSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000032665091 398534857 /nfs/dbraw/zinc/53/48/57/398534857.db2.gz DZWJOLXZSKENIR-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000317787246 398536862 /nfs/dbraw/zinc/53/68/62/398536862.db2.gz QFKPACOJTFDYGQ-QGZVFWFLSA-N 1 0 300.358 2.635 20 5 DFBDRO C[C@@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000032732552 398537078 /nfs/dbraw/zinc/53/70/78/398537078.db2.gz NSUUTVQMZUPTCL-KGLIPLIRSA-N 1 0 319.405 2.516 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199824 398537392 /nfs/dbraw/zinc/53/73/92/398537392.db2.gz OJIGNIJTVRRYCK-VOKGJARPSA-N 1 0 312.373 2.831 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593077052 398538643 /nfs/dbraw/zinc/53/86/43/398538643.db2.gz VSJACISZQVGVQO-ZDUSSCGKSA-N 1 0 315.377 2.660 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000593080538 398539341 /nfs/dbraw/zinc/53/93/41/398539341.db2.gz JJCCKMIAEDRRDD-UHFFFAOYSA-N 1 0 304.346 2.804 20 5 DFBDRO CCOc1cc(C[NH+]2CCC([C@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000593080742 398539688 /nfs/dbraw/zinc/53/96/88/398539688.db2.gz CWWMBHOJSUKMSU-CYBMUJFWSA-N 1 0 322.405 2.834 20 5 DFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459605601 299146174 /nfs/dbraw/zinc/14/61/74/299146174.db2.gz DEARLJKPKHGSTN-KMFMINBZSA-N 1 0 322.405 2.893 20 5 DFBDRO COCC[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414185676 295775483 /nfs/dbraw/zinc/77/54/83/295775483.db2.gz CICYDIWARQFXCC-CHWSQXEVSA-N 1 0 323.393 2.574 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959450 398544336 /nfs/dbraw/zinc/54/43/36/398544336.db2.gz CRGUDCAGNMZMNU-QWHCGFSZSA-N 1 0 305.378 2.951 20 5 DFBDRO COc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000320207924 398546794 /nfs/dbraw/zinc/54/67/94/398546794.db2.gz PIYKARGPGAGLCR-SNVBAGLBSA-N 1 0 309.341 2.639 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000069064133 398545704 /nfs/dbraw/zinc/54/57/04/398545704.db2.gz RQROZLHNJBNAQU-NSHDSACASA-N 1 0 323.422 2.836 20 5 DFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000083475228 192371594 /nfs/dbraw/zinc/37/15/94/192371594.db2.gz XHAUNLQVSXBXPY-UHFFFAOYSA-N 1 0 323.393 2.988 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000321134900 398552058 /nfs/dbraw/zinc/55/20/58/398552058.db2.gz ULHKISTZPPOUDL-DZGCQCFKSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000459620478 299149564 /nfs/dbraw/zinc/14/95/64/299149564.db2.gz LRBQLODAGOGGRT-UHFFFAOYSA-N 1 0 314.341 2.867 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321602954 398553216 /nfs/dbraw/zinc/55/32/16/398553216.db2.gz KSHSQVDJJKMRKE-LSDHHAIUSA-N 1 0 318.377 2.733 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321992599 398555628 /nfs/dbraw/zinc/55/56/28/398555628.db2.gz OUTBTJOAZINNQY-DOMZBBRYSA-N 1 0 318.377 2.591 20 5 DFBDRO COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950653 398555673 /nfs/dbraw/zinc/55/56/73/398555673.db2.gz GUIFUGKLMRYABV-LSDHHAIUSA-N 1 0 319.405 2.567 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H]1CN(CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000322374991 398557776 /nfs/dbraw/zinc/55/77/76/398557776.db2.gz BNZJABNSRMNISB-IAGOWNOFSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000323951733 398561557 /nfs/dbraw/zinc/56/15/57/398561557.db2.gz CXIZTINIBQFACD-BETUJISGSA-N 1 0 312.373 2.579 20 5 DFBDRO CCc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000593188766 398567685 /nfs/dbraw/zinc/56/76/85/398567685.db2.gz PJSAIFHEBZGQHY-JHJVBQTASA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)c2c1 ZINC000597132906 398572782 /nfs/dbraw/zinc/57/27/82/398572782.db2.gz NLUIOUFPFCRXET-SUMWQHHRSA-N 1 0 315.373 2.776 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccnn1CC1CC1 ZINC000597121161 398570548 /nfs/dbraw/zinc/57/05/48/398570548.db2.gz MWEXPMGBRRQSBN-UHFFFAOYSA-N 1 0 314.389 2.876 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593229003 398576071 /nfs/dbraw/zinc/57/60/71/398576071.db2.gz FGNGKUMAIVYQAT-ZDUSSCGKSA-N 1 0 300.362 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593233547 398576893 /nfs/dbraw/zinc/57/68/93/398576893.db2.gz SFESIYMOLIYSAO-JJRVBVJISA-N 1 0 319.405 2.626 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)c2ncccc12 ZINC000593232715 398577000 /nfs/dbraw/zinc/57/70/00/398577000.db2.gz BZDZQXWHFBHAOO-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO CCOC(=O)c1cc(NCCC2CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000593232663 398577004 /nfs/dbraw/zinc/57/70/04/398577004.db2.gz AWAAINGQTCQHLN-UHFFFAOYSA-N 1 0 321.377 2.573 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000277386707 213487428 /nfs/dbraw/zinc/48/74/28/213487428.db2.gz DADOLVYEORAQHQ-CYBMUJFWSA-N 1 0 306.366 2.543 20 5 DFBDRO COCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000589937799 398584307 /nfs/dbraw/zinc/58/43/07/398584307.db2.gz UQBMVSUVENWFQN-XQRVVYSFSA-N 1 0 320.389 2.641 20 5 DFBDRO CCOc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000092656555 398591054 /nfs/dbraw/zinc/59/10/54/398591054.db2.gz AGMNOFGUJDOYPE-AWEZNQCLSA-N 1 0 319.405 2.916 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000459674737 299162037 /nfs/dbraw/zinc/16/20/37/299162037.db2.gz LDJAEWCUUCAZTJ-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000597219277 398593570 /nfs/dbraw/zinc/59/35/70/398593570.db2.gz AKRYMKGGHFXRHO-ADDUCUOXSA-N 1 0 303.362 2.700 20 5 DFBDRO COc1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000590135992 398599075 /nfs/dbraw/zinc/59/90/75/398599075.db2.gz PVTBJDRDJYWJNK-LBPRGKRZSA-N 1 0 323.368 2.665 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000597235589 398599599 /nfs/dbraw/zinc/59/95/99/398599599.db2.gz GKMTYIBHPVXKJU-ZBFHGGJFSA-N 1 0 306.362 2.806 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071039882 398608990 /nfs/dbraw/zinc/60/89/90/398608990.db2.gz UMTSFSGLOQWQMY-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(CO)CCCC3)co2)cc1 ZINC000089920970 282668308 /nfs/dbraw/zinc/66/83/08/282668308.db2.gz ZJIXSPQGGOPULU-UHFFFAOYSA-N 1 0 317.345 2.645 20 5 DFBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000150741118 186062022 /nfs/dbraw/zinc/06/20/22/186062022.db2.gz DNYLXQKIFLCXMG-CQSZACIVSA-N 1 0 305.378 2.848 20 5 DFBDRO C[C@H](c1cccnc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664975 398629309 /nfs/dbraw/zinc/62/93/09/398629309.db2.gz WREDPGATPAWARG-OCCSQVGLSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000590566857 398631737 /nfs/dbraw/zinc/63/17/37/398631737.db2.gz QOAASFFRQLSRHQ-KBPBESRZSA-N 1 0 319.405 2.685 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593462191 398635610 /nfs/dbraw/zinc/63/56/10/398635610.db2.gz AMSHQQXSKFOUTP-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(C(C)(C)c2ccc([N+](=O)[O-])cc2F)n1 ZINC000414645506 295811212 /nfs/dbraw/zinc/81/12/12/295811212.db2.gz NXZGBYIHYLGKJI-VIFPVBQESA-N 1 0 322.340 2.593 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000177893900 186200671 /nfs/dbraw/zinc/20/06/71/186200671.db2.gz USXBKUXMPMUUFF-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCOC3(CCC3)C2)cc1 ZINC000590644563 398644903 /nfs/dbraw/zinc/64/49/03/398644903.db2.gz GMPPSPNECDJYJG-CYBMUJFWSA-N 1 0 306.362 2.665 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000044531882 398647141 /nfs/dbraw/zinc/64/71/41/398647141.db2.gz FAEISRYGDOISSQ-VIFPVBQESA-N 1 0 303.284 2.789 20 5 DFBDRO CC(F)(F)CCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654446 398646279 /nfs/dbraw/zinc/64/62/79/398646279.db2.gz UXKCHNUZCDUXOW-UHFFFAOYSA-N 1 0 316.304 2.891 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237466367 186294004 /nfs/dbraw/zinc/29/40/04/186294004.db2.gz PFTDBSWSCKRHRK-WBMJQRKESA-N 1 0 305.378 2.613 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC3(CCOCC3)C2)c1 ZINC000265982846 186347623 /nfs/dbraw/zinc/34/76/23/186347623.db2.gz BVTCSGSUOPTBNQ-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO C[NH+](C)C(C)(C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000044716963 398652762 /nfs/dbraw/zinc/65/27/62/398652762.db2.gz MEKJVCJCLDCWQW-UHFFFAOYSA-N 1 0 321.402 2.880 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000459743361 299179889 /nfs/dbraw/zinc/17/98/89/299179889.db2.gz DEGVXKOORYPJGY-KGLIPLIRSA-N 1 0 316.361 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)cn1 ZINC000073109748 398661949 /nfs/dbraw/zinc/66/19/49/398661949.db2.gz JBSUORCHGVUAIA-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO C[NH2+]Cc1cccc(NCc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000414872010 295828679 /nfs/dbraw/zinc/82/86/79/295828679.db2.gz UZMSPOFWTGFIIU-UHFFFAOYSA-N 1 0 301.346 2.935 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416589 198094182 /nfs/dbraw/zinc/09/41/82/198094182.db2.gz NIBYAMRORPZLGZ-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000590751604 398665587 /nfs/dbraw/zinc/66/55/87/398665587.db2.gz FBSCYYYLJCZRSQ-KYOSRNDESA-N 1 0 306.362 2.896 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940096 295837894 /nfs/dbraw/zinc/83/78/94/295837894.db2.gz XEXBLYIMAUACFF-WBMJQRKESA-N 1 0 315.373 2.942 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459768778 299186832 /nfs/dbraw/zinc/18/68/32/299186832.db2.gz QSIFNDBUEVHXGO-CABCVRRESA-N 1 0 306.362 2.521 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593691268 398671394 /nfs/dbraw/zinc/67/13/94/398671394.db2.gz RVRKOAOFPXNGHH-KRWDZBQOSA-N 1 0 322.405 2.739 20 5 DFBDRO CC[C@H]([NH3+])CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414972216 295842769 /nfs/dbraw/zinc/84/27/69/295842769.db2.gz AIIVUQVGEHBQDZ-NSHDSACASA-N 1 0 319.361 2.690 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H](CO)CCF)c2ccccc2)c1 ZINC000593718749 398676093 /nfs/dbraw/zinc/67/60/93/398676093.db2.gz QXNZMYBXTITKAI-RDJZCZTQSA-N 1 0 318.348 2.994 20 5 DFBDRO Cc1cccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000172842966 198156762 /nfs/dbraw/zinc/15/67/62/198156762.db2.gz JFXQGOPPYJBHIJ-AWEZNQCLSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000172842971 198156845 /nfs/dbraw/zinc/15/68/45/198156845.db2.gz JFXQGOPPYJBHIJ-CQSZACIVSA-N 1 0 319.405 2.850 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194415453 282831048 /nfs/dbraw/zinc/83/10/48/282831048.db2.gz AIBBYVJMLZXZEE-HNNXBMFYSA-N 1 0 300.362 2.538 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000173049671 198181097 /nfs/dbraw/zinc/18/10/97/198181097.db2.gz HDLGVLOCADOTDN-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1O ZINC000072926620 191251602 /nfs/dbraw/zinc/25/16/02/191251602.db2.gz SPYWZKSHGKBRKJ-ZBFHGGJFSA-N 1 0 324.377 2.602 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000045774768 398683920 /nfs/dbraw/zinc/68/39/20/398683920.db2.gz YIRLSZOEVJSHOL-MRXNPFEDSA-N 1 0 319.405 2.835 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000459805683 299197153 /nfs/dbraw/zinc/19/71/53/299197153.db2.gz PUMQTKSHRIIWMZ-NVXWUHKLSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)[C@H]1C ZINC000331974884 234340252 /nfs/dbraw/zinc/34/02/52/234340252.db2.gz AGYXKIYKJQMHEO-UTUOFQBUSA-N 1 0 306.362 2.938 20 5 DFBDRO Cc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174186181 198302611 /nfs/dbraw/zinc/30/26/11/198302611.db2.gz PZESXISEBGTAFS-OCCSQVGLSA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854346 398704675 /nfs/dbraw/zinc/70/46/75/398704675.db2.gz GPHRVPJOVJEPQH-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO C[NH2+]Cc1ccccc1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000593914419 398703122 /nfs/dbraw/zinc/70/31/22/398703122.db2.gz KOUPAYSGKIPJAP-UHFFFAOYSA-N 1 0 319.386 2.614 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915729 398703154 /nfs/dbraw/zinc/70/31/54/398703154.db2.gz KLLDBXUTIAZDBS-SWLSCSKDSA-N 1 0 319.405 2.747 20 5 DFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864784 198394490 /nfs/dbraw/zinc/39/44/90/198394490.db2.gz FPTCJTYNLNUWRZ-DZGCQCFKSA-N 1 0 300.362 2.669 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590971459 398711278 /nfs/dbraw/zinc/71/12/78/398711278.db2.gz QWOIQUVZCBNAPC-KBPBESRZSA-N 1 0 317.345 2.783 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108496910 398712864 /nfs/dbraw/zinc/71/28/64/398712864.db2.gz WITDHGRCJYHAOD-CYBMUJFWSA-N 1 0 318.377 2.509 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000591013092 398714530 /nfs/dbraw/zinc/71/45/30/398714530.db2.gz JSKSUHQWRMRERH-OAHLLOKOSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1ccccc1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176235527 198562916 /nfs/dbraw/zinc/56/29/16/198562916.db2.gz PDVOCMQJECCRTG-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO CCOc1cc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000277055582 213266861 /nfs/dbraw/zinc/26/68/61/213266861.db2.gz ITHMAPVZBUGXNI-VXGBXAGGSA-N 1 0 308.378 2.727 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415298604 295875963 /nfs/dbraw/zinc/87/59/63/295875963.db2.gz PGKKOYRVFRKFGC-UHFFFAOYSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415296079 295875993 /nfs/dbraw/zinc/87/59/93/295875993.db2.gz MKHIPTFNUGFHLT-CHWSQXEVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415306873 295876318 /nfs/dbraw/zinc/87/63/18/295876318.db2.gz YPJAOISQHVEIKB-CHWSQXEVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415487636 295887125 /nfs/dbraw/zinc/88/71/25/295887125.db2.gz UEJLVGJWSBYYRI-GXFFZTMASA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415492322 295887709 /nfs/dbraw/zinc/88/77/09/295887709.db2.gz BQUNEWJJRBPIJX-VXGBXAGGSA-N 1 0 306.366 2.542 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140037 398731066 /nfs/dbraw/zinc/73/10/66/398731066.db2.gz OCRDBCFYHWFGRG-VXGBXAGGSA-N 1 0 310.373 2.909 20 5 DFBDRO O=C(CNc1nccc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000591143019 398730994 /nfs/dbraw/zinc/73/09/94/398730994.db2.gz CLFWLXAEOFFGLS-UHFFFAOYSA-N 1 0 314.345 2.614 20 5 DFBDRO Cc1c(NC(=O)NCCC2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000130890778 283064734 /nfs/dbraw/zinc/06/47/34/283064734.db2.gz HBPQFLLHQUKVDW-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591149544 398732551 /nfs/dbraw/zinc/73/25/51/398732551.db2.gz FTQCOMYEHZHZRF-LDYMZIIASA-N 1 0 318.299 2.761 20 5 DFBDRO C[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000591194752 398738043 /nfs/dbraw/zinc/73/80/43/398738043.db2.gz RELYYOMAYNKWOG-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000047119616 398737382 /nfs/dbraw/zinc/73/73/82/398737382.db2.gz FSYLZWNNDYCOSF-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000047187786 398738741 /nfs/dbraw/zinc/73/87/41/398738741.db2.gz HMHNVRBFSGVWCK-AWEZNQCLSA-N 1 0 319.405 2.837 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000591243861 398742006 /nfs/dbraw/zinc/74/20/06/398742006.db2.gz CZMHNXRZYCRJJG-DZGCQCFKSA-N 1 0 305.378 2.552 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286410059 291063609 /nfs/dbraw/zinc/06/36/09/291063609.db2.gz QFGCPDGRDLUATO-CMPLNLGQSA-N 1 0 310.785 2.706 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594108914 398744952 /nfs/dbraw/zinc/74/49/52/398744952.db2.gz ILRUKBWFYGPNTJ-VDISTLRHSA-N 1 0 320.393 2.619 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282684 398745155 /nfs/dbraw/zinc/74/51/55/398745155.db2.gz OWRQQSHCCRTADR-CQSZACIVSA-N 1 0 319.405 2.758 20 5 DFBDRO CC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000591301724 398746821 /nfs/dbraw/zinc/74/68/21/398746821.db2.gz UEFFMRPUGDMIFQ-STQMWFEESA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591301696 398746892 /nfs/dbraw/zinc/74/68/92/398746892.db2.gz RBSXNQOPBPKWLE-UHFFFAOYSA-N 1 0 306.366 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cncn1)CCCC2 ZINC000591348352 398750886 /nfs/dbraw/zinc/75/08/86/398750886.db2.gz WPPAVEFNWGYLGS-INIZCTEOSA-N 1 0 315.377 2.634 20 5 DFBDRO CC[C@H](NC(=O)NCCC[NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591359251 398752681 /nfs/dbraw/zinc/75/26/81/398752681.db2.gz HLBCPLNEDGVUKD-HNNXBMFYSA-N 1 0 322.409 2.733 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000591424395 398758662 /nfs/dbraw/zinc/75/86/62/398758662.db2.gz BHIBHCCJOCZOIH-CYBMUJFWSA-N 1 0 317.345 2.724 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132955613 283135421 /nfs/dbraw/zinc/13/54/21/283135421.db2.gz DMQJAMSDLKKHPA-LLVKDONJSA-N 1 0 309.366 2.770 20 5 DFBDRO CC(C)[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[NH2+]1 ZINC000591435799 398759901 /nfs/dbraw/zinc/75/99/01/398759901.db2.gz XGRIBVMEKFKRCX-CQSZACIVSA-N 1 0 300.362 2.577 20 5 DFBDRO CC[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591437827 398760926 /nfs/dbraw/zinc/76/09/26/398760926.db2.gz OVXTZNXPFXTHGN-AAEUAGOBSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591443241 398762238 /nfs/dbraw/zinc/76/22/38/398762238.db2.gz ZDMCOKMMMSAWMJ-KGLIPLIRSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591442485 398761503 /nfs/dbraw/zinc/76/15/03/398761503.db2.gz PUWLDXUYEITHHV-OLZOCXBDSA-N 1 0 307.369 2.950 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000591441735 398761514 /nfs/dbraw/zinc/76/15/14/398761514.db2.gz GCDRLERRNRBXBB-UONOGXRCSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199374 398764016 /nfs/dbraw/zinc/76/40/16/398764016.db2.gz YDCFZSKLOCHSPQ-JKSUJKDBSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000177592633 198749015 /nfs/dbraw/zinc/74/90/15/198749015.db2.gz NRUGKTKNHJUALW-OLZOCXBDSA-N 1 0 305.378 2.506 20 5 DFBDRO CCc1ccc([C@@H](NC[C@@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000591580664 398773586 /nfs/dbraw/zinc/77/35/86/398773586.db2.gz JDRPVBWSQMKWBT-BZNIZROVSA-N 1 0 303.362 2.776 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568250 192292938 /nfs/dbraw/zinc/29/29/38/192292938.db2.gz YOXXAEHMHRBWEQ-HNNXBMFYSA-N 1 0 321.421 2.637 20 5 DFBDRO O=C(NC[C@H]1CCCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000591677889 398779954 /nfs/dbraw/zinc/77/99/54/398779954.db2.gz WZSCUJPCXLTHIK-LLVKDONJSA-N 1 0 319.386 2.681 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598265553 398780073 /nfs/dbraw/zinc/78/00/73/398780073.db2.gz ULDWBBCJAVECIV-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591757428 398783934 /nfs/dbraw/zinc/78/39/34/398783934.db2.gz AVDLODMWPDWSCH-QWHCGFSZSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)CC2CCCC2)cc1 ZINC000591735539 398783214 /nfs/dbraw/zinc/78/32/14/398783214.db2.gz CJIIKEDRSMATAJ-HNNXBMFYSA-N 1 0 308.378 2.504 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000598342732 398796340 /nfs/dbraw/zinc/79/63/40/398796340.db2.gz LVEUQCJEAJLDFK-LBPRGKRZSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000178598731 198894308 /nfs/dbraw/zinc/89/43/08/198894308.db2.gz KRPJSCYIICVSIB-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CCOc1cc(C[N@@H+]2[C@@H](C)CCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000276826546 213118137 /nfs/dbraw/zinc/11/81/37/213118137.db2.gz ALMFVLJRGDJDRT-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000178762680 198926117 /nfs/dbraw/zinc/92/61/17/198926117.db2.gz OIIXDKPKSIFJKL-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000594445657 398804937 /nfs/dbraw/zinc/80/49/37/398804937.db2.gz JPBHDEFFEZXIPM-ZOBUZTSGSA-N 1 0 317.389 2.552 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000594445654 398804846 /nfs/dbraw/zinc/80/48/46/398804846.db2.gz JPBHDEFFEZXIPM-HLLBOEOZSA-N 1 0 317.389 2.552 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000287617039 219629529 /nfs/dbraw/zinc/62/95/29/219629529.db2.gz YZQOGGZMXXQQJU-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000261634552 283292803 /nfs/dbraw/zinc/29/28/03/283292803.db2.gz IBVHVGMFHHHKKX-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000594517870 398814700 /nfs/dbraw/zinc/81/47/00/398814700.db2.gz FANWOBFXLSHEBD-NSHDSACASA-N 1 0 324.377 2.671 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(Cl)c3)CC2)n1 ZINC000179666991 199072690 /nfs/dbraw/zinc/07/26/90/199072690.db2.gz HJZFETWNPIQUEJ-UHFFFAOYSA-N 1 0 306.753 2.724 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215996105 291122398 /nfs/dbraw/zinc/12/23/98/291122398.db2.gz MKIWKDZMGGDARU-DTWKUNHWSA-N 1 0 303.284 2.787 20 5 DFBDRO CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075676075 398816824 /nfs/dbraw/zinc/81/68/24/398816824.db2.gz LEVGDNSESGEXSJ-LBPRGKRZSA-N 1 0 305.378 2.599 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NC1CC[NH+](CC2CC2)CC1 ZINC000594546481 398818771 /nfs/dbraw/zinc/81/87/71/398818771.db2.gz LPSNTWBGKRKIIY-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO O=[N+]([O-])c1c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nc2sccn21 ZINC000594598032 398827770 /nfs/dbraw/zinc/82/77/70/398827770.db2.gz FYSRZGLFXOUPRT-MNOVXSKESA-N 1 0 321.406 2.733 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000594599337 398828244 /nfs/dbraw/zinc/82/82/44/398828244.db2.gz JGUNYOZCRIIIMT-ZFWWWQNUSA-N 1 0 315.377 2.900 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000179855983 199089485 /nfs/dbraw/zinc/08/94/85/199089485.db2.gz DEAYDLAKIYXARJ-SNVBAGLBSA-N 1 0 305.334 2.641 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1-n1cc(C[NH2+]C2CCCC2)nn1 ZINC000594653528 398838283 /nfs/dbraw/zinc/83/82/83/398838283.db2.gz PQGJWUMWKNMZBD-UHFFFAOYSA-N 1 0 321.768 2.861 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129758528 398838925 /nfs/dbraw/zinc/83/89/25/398838925.db2.gz GDFMNSPTKNMIFJ-NOZJJQNGSA-N 1 0 311.769 2.590 20 5 DFBDRO Cc1cnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000594697881 398844487 /nfs/dbraw/zinc/84/44/87/398844487.db2.gz TYAKSTBXRAQIMN-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052861389 398853804 /nfs/dbraw/zinc/85/38/04/398853804.db2.gz GQTAJRYJJMHXPC-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000594733012 398851292 /nfs/dbraw/zinc/85/12/92/398851292.db2.gz PCBZNEXLQGKBLW-RDBSUJKOSA-N 1 0 317.389 2.949 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000076329611 398852137 /nfs/dbraw/zinc/85/21/37/398852137.db2.gz OFWSDMONVLYQDU-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnc3ccccn13)C2 ZINC000153004854 283348841 /nfs/dbraw/zinc/34/88/41/283348841.db2.gz FISFKZJNXGVEIR-UHFFFAOYSA-N 1 0 308.341 2.801 20 5 DFBDRO COC(=O)c1cc(NCC[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000076776198 398868870 /nfs/dbraw/zinc/86/88/70/398868870.db2.gz XSFJUGACJWPNQL-GFCCVEGCSA-N 1 0 321.377 2.668 20 5 DFBDRO CO[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594952011 398880333 /nfs/dbraw/zinc/88/03/33/398880333.db2.gz PEJJTMVSYZGBLN-WMLDXEAASA-N 1 0 322.405 2.859 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CCN(CCOCC(F)(F)F)C2 ZINC000153331890 283363272 /nfs/dbraw/zinc/36/32/72/283363272.db2.gz HPBKAFMUJMXGAQ-UHFFFAOYSA-N 1 0 304.268 2.532 20 5 DFBDRO CC[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000594959687 398882069 /nfs/dbraw/zinc/88/20/69/398882069.db2.gz XBKPTEZTTFNWNG-TZMCWYRMSA-N 1 0 303.362 2.776 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594962026 398882762 /nfs/dbraw/zinc/88/27/62/398882762.db2.gz CWNPSRQDWATLIS-LKBUQDJMSA-N 1 0 310.419 2.683 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](OC)C2CCCC2)cc1[N+](=O)[O-] ZINC000594993379 398888101 /nfs/dbraw/zinc/88/81/01/398888101.db2.gz DJOLCEXUCLQRKR-MRXNPFEDSA-N 1 0 308.378 2.898 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1cccn1 ZINC000595003419 398889181 /nfs/dbraw/zinc/88/91/81/398889181.db2.gz FUUHHYVWFXCPCH-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCCC[N@H+](C)C(C)C ZINC000595004432 398889476 /nfs/dbraw/zinc/88/94/76/398889476.db2.gz RLIDLCHVZVZVHE-CYBMUJFWSA-N 1 0 309.410 2.984 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595001378 398889602 /nfs/dbraw/zinc/88/96/02/398889602.db2.gz TWYIWLOQYBOFCH-UHFFFAOYSA-N 1 0 309.410 2.813 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000595005573 398890039 /nfs/dbraw/zinc/89/00/39/398890039.db2.gz ASQNVXFUPRCARC-VXGBXAGGSA-N 1 0 304.350 2.539 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[NH+]1CCC(C)CC1 ZINC000595006715 398890204 /nfs/dbraw/zinc/89/02/04/398890204.db2.gz IXEPIOVYMOIGQF-AWEZNQCLSA-N 1 0 321.421 2.986 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000172823537 283387101 /nfs/dbraw/zinc/38/71/01/283387101.db2.gz YZBPGKQPHLDESK-LBPRGKRZSA-N 1 0 309.414 2.796 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCn1ccnc1 ZINC000595011480 398891949 /nfs/dbraw/zinc/89/19/49/398891949.db2.gz FNIMGGKUMOYWSC-ZDUSSCGKSA-N 1 0 318.377 2.931 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000595013978 398891737 /nfs/dbraw/zinc/89/17/37/398891737.db2.gz SYIABSNYBXUJDM-QWHCGFSZSA-N 1 0 307.394 2.596 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000595013633 398891766 /nfs/dbraw/zinc/89/17/66/398891766.db2.gz QMZRULQYIIZFBU-MAZHCROVSA-N 1 0 319.405 2.881 20 5 DFBDRO CCCC[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014464 398891863 /nfs/dbraw/zinc/89/18/63/398891863.db2.gz AJSZJYNMRWRNNO-ZDUSSCGKSA-N 1 0 309.410 2.986 20 5 DFBDRO [NH3+][C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000598913898 398892846 /nfs/dbraw/zinc/89/28/46/398892846.db2.gz RUKWOYRLNFZRMR-RYUDHWBXSA-N 1 0 324.768 2.640 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915792 398892911 /nfs/dbraw/zinc/89/29/11/398892911.db2.gz PBRAEHJZEKZMIF-JTQLQIEISA-N 1 0 312.757 2.593 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000595021588 398893646 /nfs/dbraw/zinc/89/36/46/398893646.db2.gz PXOKMTKTQYCBJG-CMPLNLGQSA-N 1 0 316.361 2.535 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000595030207 398895201 /nfs/dbraw/zinc/89/52/01/398895201.db2.gz YPINTUDLXYIJNA-XEZPLFJOSA-N 1 0 321.421 2.983 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000595042538 398896657 /nfs/dbraw/zinc/89/66/57/398896657.db2.gz AEABGFSPOCJZLL-RWMBFGLXSA-N 1 0 308.378 2.805 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186394579 199952457 /nfs/dbraw/zinc/95/24/57/199952457.db2.gz MADMBALRRRSSEK-JKSUJKDBSA-N 1 0 320.389 2.659 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000595049971 398898376 /nfs/dbraw/zinc/89/83/76/398898376.db2.gz DPXFQAPUWHZELE-NWDGAFQWSA-N 1 0 318.377 2.619 20 5 DFBDRO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000595064152 398900270 /nfs/dbraw/zinc/90/02/70/398900270.db2.gz DRMLJZNASWTFOT-CXAGYDPISA-N 1 0 322.405 2.995 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595063224 398900310 /nfs/dbraw/zinc/90/03/10/398900310.db2.gz WGEQGOOWQAKYMU-CBLKFGJOSA-N 1 0 322.430 2.861 20 5 DFBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1(CO)CC1 ZINC000595067997 398901434 /nfs/dbraw/zinc/90/14/34/398901434.db2.gz MRVGBAZJOBIASA-IUODEOHRSA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cc[nH]n2)c(Cl)c1 ZINC000598984978 398903269 /nfs/dbraw/zinc/90/32/69/398903269.db2.gz ZVMSESKPAGCNNG-TZMCWYRMSA-N 1 0 322.752 2.591 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000598985660 398903536 /nfs/dbraw/zinc/90/35/36/398903536.db2.gz XURTYQOZKICZIZ-QGZVFWFLSA-N 1 0 314.341 2.915 20 5 DFBDRO COc1cc(C[NH2+]CC[C@@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000598985832 398903550 /nfs/dbraw/zinc/90/35/50/398903550.db2.gz ZWGOAIOJZRHNAR-LBPRGKRZSA-N 1 0 324.377 2.518 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)C1CC1 ZINC000595090964 398903901 /nfs/dbraw/zinc/90/39/01/398903901.db2.gz QCXUBZIEVIHJJS-BHYGNILZSA-N 1 0 316.401 2.809 20 5 DFBDRO COC(=O)C(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174824 299292962 /nfs/dbraw/zinc/29/29/62/299292962.db2.gz WGTZSSAMXUVZPO-WQLSENKSSA-N 1 0 306.362 2.787 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3CC(O)C3)o2)c1 ZINC000599006870 398907063 /nfs/dbraw/zinc/90/70/63/398907063.db2.gz LZWIZYIBDHGPJF-UHFFFAOYSA-N 1 0 302.330 2.715 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000281023234 216028742 /nfs/dbraw/zinc/02/87/42/216028742.db2.gz XTSONZDJGWXQFA-DUVNUKRYSA-N 1 0 320.389 2.705 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225777 398911560 /nfs/dbraw/zinc/91/15/60/398911560.db2.gz OGZFOGZPEAATLR-NWDGAFQWSA-N 1 0 323.418 2.651 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000185704535 283464234 /nfs/dbraw/zinc/46/42/34/283464234.db2.gz RFTTZKQVZVVGEA-CYBMUJFWSA-N 1 0 320.393 2.981 20 5 DFBDRO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[C@@H]1[NH3+] ZINC000595229102 398911813 /nfs/dbraw/zinc/91/18/13/398911813.db2.gz QYOOCRUVWAELMV-SKDRFNHKSA-N 1 0 319.386 2.619 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225807 398911820 /nfs/dbraw/zinc/91/18/20/398911820.db2.gz OSPOWHJBQWJVDI-ZBFHGGJFSA-N 1 0 317.389 2.589 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH3+])CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595253152 398912801 /nfs/dbraw/zinc/91/28/01/398912801.db2.gz IVPASRXARSJYGI-GFCCVEGCSA-N 1 0 317.389 2.742 20 5 DFBDRO C[C@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237513805 202267531 /nfs/dbraw/zinc/26/75/31/202267531.db2.gz CHTFELPMPISFCZ-NSHDSACASA-N 1 0 300.362 2.883 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000054981079 398915347 /nfs/dbraw/zinc/91/53/47/398915347.db2.gz FNFVTYGJMRWMFD-GHMZBOCLSA-N 1 0 323.422 2.836 20 5 DFBDRO CN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065376 398915553 /nfs/dbraw/zinc/91/55/53/398915553.db2.gz JEWMKUNOZHOSRI-USXIJHARSA-N 1 0 317.433 2.990 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)cn1 ZINC000595288635 398915734 /nfs/dbraw/zinc/91/57/34/398915734.db2.gz QOODHWYKOAZCHM-KFWWJZLASA-N 1 0 316.405 2.548 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599065357 398915803 /nfs/dbraw/zinc/91/58/03/398915803.db2.gz KMADFMDUDOKXQH-FZMZJTMJSA-N 1 0 313.348 2.975 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000595293452 398916898 /nfs/dbraw/zinc/91/68/98/398916898.db2.gz OALOTNGHCNQQCH-LLVKDONJSA-N 1 0 304.325 2.837 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000595293453 398916951 /nfs/dbraw/zinc/91/69/51/398916951.db2.gz OALOTNGHCNQQCH-NSHDSACASA-N 1 0 304.325 2.837 20 5 DFBDRO CC[C@@H](NC(=O)c1coc(C[NH3+])c1)c1cccc([N+](=O)[O-])c1 ZINC000187979516 200186366 /nfs/dbraw/zinc/18/63/66/200186366.db2.gz QZHNGXQORSCEIF-CQSZACIVSA-N 1 0 303.318 2.528 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188108098 200195375 /nfs/dbraw/zinc/19/53/75/200195375.db2.gz SQBIJFGRASHUQW-GJZGRUSLSA-N 1 0 318.398 2.864 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178148574 283477932 /nfs/dbraw/zinc/47/79/32/283477932.db2.gz JXFOPIVNZRMANT-CABZTGNLSA-N 1 0 319.386 2.667 20 5 DFBDRO Cc1noc(CN2CC[NH+](CC3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595296353 398917915 /nfs/dbraw/zinc/91/79/15/398917915.db2.gz BGIWONOXNMWEDT-UHFFFAOYSA-N 1 0 322.409 2.589 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000599083038 398918514 /nfs/dbraw/zinc/91/85/14/398918514.db2.gz NIIQIOJXIDAGME-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599092448 398919885 /nfs/dbraw/zinc/91/98/85/398919885.db2.gz HOYBAOAHNLRILT-DOMZBBRYSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1noc(CN2CCC[C@@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000595344797 398924966 /nfs/dbraw/zinc/92/49/66/398924966.db2.gz JBJVTUZUJJQLCE-CYBMUJFWSA-N 1 0 302.334 2.932 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000189016286 200335964 /nfs/dbraw/zinc/33/59/64/200335964.db2.gz PCEPANKQTIKEPC-AWEZNQCLSA-N 1 0 306.387 2.658 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000189313176 200380270 /nfs/dbraw/zinc/38/02/70/200380270.db2.gz KJBONUBWUZTGDZ-HOTGVXAUSA-N 1 0 314.389 2.792 20 5 DFBDRO COC[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417325226 296010075 /nfs/dbraw/zinc/01/00/75/296010075.db2.gz DEDKPJHJMGVGGX-GOEBONIOSA-N 1 0 308.378 2.613 20 5 DFBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809810 299307395 /nfs/dbraw/zinc/30/73/95/299307395.db2.gz JETAYWNYHOOXRS-BXUZGUMPSA-N 1 0 302.330 2.810 20 5 DFBDRO C[S@@](=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417337518 296011807 /nfs/dbraw/zinc/01/18/07/296011807.db2.gz WXHYWQIJVQKHQJ-OYHNWAKOSA-N 1 0 322.430 2.863 20 5 DFBDRO Cn1cc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417348712 296012364 /nfs/dbraw/zinc/01/23/64/296012364.db2.gz YZRWJMGXEMMJRW-KRWDZBQOSA-N 1 0 314.389 2.928 20 5 DFBDRO Cn1ccc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417348321 296012463 /nfs/dbraw/zinc/01/24/63/296012463.db2.gz XYUMTOAOKVBRCO-QGZVFWFLSA-N 1 0 314.389 2.928 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595414954 398934343 /nfs/dbraw/zinc/93/43/43/398934343.db2.gz OWBJZKFNWDWLEZ-KSZJFAHPSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC12CC2 ZINC000417367133 296014119 /nfs/dbraw/zinc/01/41/19/296014119.db2.gz POZFHYYXEYIOOE-NEPJUHHUSA-N 1 0 303.362 2.702 20 5 DFBDRO C[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000078148639 398940482 /nfs/dbraw/zinc/94/04/82/398940482.db2.gz IOZHVISLOPRMAR-CYBMUJFWSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000056196736 398957172 /nfs/dbraw/zinc/95/71/72/398957172.db2.gz WVAXNDJRKSEJIT-GHMZBOCLSA-N 1 0 318.333 2.569 20 5 DFBDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196104 398957183 /nfs/dbraw/zinc/95/71/83/398957183.db2.gz NYRJEOBQUXHLGW-CHWSQXEVSA-N 1 0 307.394 2.940 20 5 DFBDRO CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@H]1CCC[N@@H+]1CC ZINC000599368314 398964293 /nfs/dbraw/zinc/96/42/93/398964293.db2.gz AQVBEWOHXOSOTL-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO CSc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000281397247 216272256 /nfs/dbraw/zinc/27/22/56/216272256.db2.gz QEJHNAQHFGCCEX-NSHDSACASA-N 1 0 306.391 2.864 20 5 DFBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1CC ZINC000599379929 398968147 /nfs/dbraw/zinc/96/81/47/398968147.db2.gz NOPDXFDMOMBVDI-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000271882264 209291885 /nfs/dbraw/zinc/29/18/85/209291885.db2.gz PUAOXHKETMFLMA-IMJJTQAJSA-N 1 0 318.373 2.651 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000193609566 201086509 /nfs/dbraw/zinc/08/65/09/201086509.db2.gz DENKLUAJIWIGBI-UHFFFAOYSA-N 1 0 323.368 2.727 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)cc1[N+](=O)[O-] ZINC000193921542 201147629 /nfs/dbraw/zinc/14/76/29/201147629.db2.gz GTFVTLWPIKLCER-CHWSQXEVSA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078670735 398979172 /nfs/dbraw/zinc/97/91/72/398979172.db2.gz PKGQIKFUVFXUAX-AWEZNQCLSA-N 1 0 304.394 2.975 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000474360626 299335209 /nfs/dbraw/zinc/33/52/09/299335209.db2.gz YKARTPZPLATCQO-LBPRGKRZSA-N 1 0 324.377 2.528 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195308967 201376395 /nfs/dbraw/zinc/37/63/95/201376395.db2.gz QBIHSEJYMHVPCX-QLFBSQMISA-N 1 0 321.421 2.697 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000195485522 201395109 /nfs/dbraw/zinc/39/51/09/201395109.db2.gz QYUZOSWEUYGHPW-LLVKDONJSA-N 1 0 319.386 2.970 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000090880693 192940073 /nfs/dbraw/zinc/94/00/73/192940073.db2.gz RGIDPTQWECSTMR-CYBMUJFWSA-N 1 0 307.394 2.716 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791555 299338623 /nfs/dbraw/zinc/33/86/23/299338623.db2.gz RUDBEGVMNDDHID-NWDGAFQWSA-N 1 0 321.377 2.584 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000417857231 296058334 /nfs/dbraw/zinc/05/83/34/296058334.db2.gz UAMIBUPTOCTCEB-JSGCOSHPSA-N 1 0 322.409 2.637 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848830 296057837 /nfs/dbraw/zinc/05/78/37/296057837.db2.gz KZTSWMDLYSHOBY-TZMCWYRMSA-N 1 0 322.409 2.781 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417855722 296058183 /nfs/dbraw/zinc/05/81/83/296058183.db2.gz RLWMLMNJOFDVJD-GFCCVEGCSA-N 1 0 322.409 2.781 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286575094 291306560 /nfs/dbraw/zinc/30/65/60/291306560.db2.gz XVFKVKJHUSTGDH-WCQYABFASA-N 1 0 320.349 2.566 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000275535629 212399386 /nfs/dbraw/zinc/39/93/86/212399386.db2.gz OHUAOXCUDZGKIJ-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513145 212384464 /nfs/dbraw/zinc/38/44/64/212384464.db2.gz KNHVLVRLMHGAFW-QWHCGFSZSA-N 1 0 300.362 2.705 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCCSC2)c([N+](=O)[O-])cc1OC ZINC000271812780 209237000 /nfs/dbraw/zinc/23/70/00/209237000.db2.gz LDWONHNHOJWNNH-NSHDSACASA-N 1 0 312.391 2.597 20 5 DFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600227288 399013821 /nfs/dbraw/zinc/01/38/21/399013821.db2.gz AFBNQFKRVAJOCG-CQSZACIVSA-N 1 0 317.389 2.732 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000417973881 296068110 /nfs/dbraw/zinc/06/81/10/296068110.db2.gz CWOCZGBLTFTUOP-TZMCWYRMSA-N 1 0 322.409 2.671 20 5 DFBDRO C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000417974955 296068353 /nfs/dbraw/zinc/06/83/53/296068353.db2.gz DXHOQFDNXDTGRV-GFCCVEGCSA-N 1 0 320.393 2.617 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599604603 399028640 /nfs/dbraw/zinc/02/86/40/399028640.db2.gz PJWMLMQDHVBTGU-CQSZACIVSA-N 1 0 318.377 2.618 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677640 399030441 /nfs/dbraw/zinc/03/04/41/399030441.db2.gz PPHDDYUVQLHTHU-UKRRQHHQSA-N 1 0 322.405 2.976 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000599626504 399033654 /nfs/dbraw/zinc/03/36/54/399033654.db2.gz XCGAWUAHVHAKHI-YRORDHRNSA-N 1 0 308.378 2.895 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633430 399036264 /nfs/dbraw/zinc/03/62/64/399036264.db2.gz LYRSPFJCUZCOES-AVIFXLABSA-N 1 0 322.430 2.950 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000091892462 193122795 /nfs/dbraw/zinc/12/27/95/193122795.db2.gz JOMYQRKHHIQKCK-CVEARBPZSA-N 1 0 303.406 2.962 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255337768 283870911 /nfs/dbraw/zinc/87/09/11/283870911.db2.gz BIXRDIIWEVATEQ-KMUBWGIJSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCc3c(O)cccc3C2)c1 ZINC000599645154 399040270 /nfs/dbraw/zinc/04/02/70/399040270.db2.gz DBEDEQYOAPYZIK-UHFFFAOYSA-N 1 0 314.341 2.738 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](C2CC2)C2CCCC2)c1 ZINC000057619826 399052529 /nfs/dbraw/zinc/05/25/29/399052529.db2.gz UJLSKWHASMKCRA-INIZCTEOSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC000600470021 399058383 /nfs/dbraw/zinc/05/83/83/399058383.db2.gz DSRNHPVWUFKSOW-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000595729069 399058120 /nfs/dbraw/zinc/05/81/20/399058120.db2.gz PSWJGEFRKJBKDS-HEHGZKQESA-N 1 0 317.389 2.565 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293055062 223373859 /nfs/dbraw/zinc/37/38/59/223373859.db2.gz LVHZFQOWKPNRKD-AWEZNQCLSA-N 1 0 319.405 2.663 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000595748817 399069359 /nfs/dbraw/zinc/06/93/59/399069359.db2.gz HVKURDCSMGEZHE-LAQFHYBYSA-N 1 0 322.405 2.831 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595755770 399072325 /nfs/dbraw/zinc/07/23/25/399072325.db2.gz QARWKSQWJXBRRR-GFCCVEGCSA-N 1 0 324.352 2.953 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000595760161 399073357 /nfs/dbraw/zinc/07/33/57/399073357.db2.gz SGPFYBJBYZEYQI-WMLDXEAASA-N 1 0 320.389 2.850 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCSCC2)cc1[N+](=O)[O-] ZINC000223466862 201646737 /nfs/dbraw/zinc/64/67/37/201646737.db2.gz SPTXKRZNFKDPRU-CYBMUJFWSA-N 1 0 309.435 2.603 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000249380402 202797933 /nfs/dbraw/zinc/79/79/33/202797933.db2.gz QFYYPGLIKXBLTE-YOENINGUSA-N 1 0 317.389 2.693 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808301 399093861 /nfs/dbraw/zinc/09/38/61/399093861.db2.gz CNKALWOAYQVGMJ-CHWSQXEVSA-N 1 0 303.362 2.574 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830192 399102191 /nfs/dbraw/zinc/10/21/91/399102191.db2.gz DLOKRRJMBBRUQG-UONOGXRCSA-N 1 0 317.389 2.600 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282217169 216830283 /nfs/dbraw/zinc/83/02/83/216830283.db2.gz YKPCCJMMRCYFEZ-GXFFZTMASA-N 1 0 309.341 2.841 20 5 DFBDRO CSc1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261868122 203139262 /nfs/dbraw/zinc/13/92/62/203139262.db2.gz SBVTZBACZWXMNO-CMPLNLGQSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419371992 296137359 /nfs/dbraw/zinc/13/73/59/296137359.db2.gz LWXVIXNLLXRIQK-YVECIDJPSA-N 1 0 305.378 2.898 20 5 DFBDRO CCC[C@@](C)([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262091126 203195063 /nfs/dbraw/zinc/19/50/63/203195063.db2.gz AFGWZGSEMYPFNY-CQSZACIVSA-N 1 0 313.785 2.724 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419379357 296138013 /nfs/dbraw/zinc/13/80/13/296138013.db2.gz WPUIJMWBQVCYET-FVCCEPFGSA-N 1 0 305.378 2.898 20 5 DFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595857605 399115432 /nfs/dbraw/zinc/11/54/32/399115432.db2.gz MCRLIMIYRFNRPA-NQKGRLOXSA-N 1 0 320.389 2.597 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000262382483 203279047 /nfs/dbraw/zinc/27/90/47/203279047.db2.gz OAYYLKATRVIJGI-CORIIIEPSA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262509307 203312830 /nfs/dbraw/zinc/31/28/30/203312830.db2.gz MULAEXHKTRUVLS-WHOFXGATSA-N 1 0 305.378 2.680 20 5 DFBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595867731 399117474 /nfs/dbraw/zinc/11/74/74/399117474.db2.gz PLCPYAQXAGWNLK-ZNMIVQPWSA-N 1 0 322.405 2.988 20 5 DFBDRO Cc1cncn1CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000599992360 399120014 /nfs/dbraw/zinc/12/00/14/399120014.db2.gz MSMWWRBHBJCXLJ-UHFFFAOYSA-N 1 0 317.349 2.559 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000600705816 399120360 /nfs/dbraw/zinc/12/03/60/399120360.db2.gz AUJPLSSZIUCGEC-KWCYVHTRSA-N 1 0 307.394 2.785 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600725612 399125036 /nfs/dbraw/zinc/12/50/36/399125036.db2.gz JUUGXYRANCHKMD-VHSXEESVSA-N 1 0 323.340 2.615 20 5 DFBDRO Cc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000093597357 193272296 /nfs/dbraw/zinc/27/22/96/193272296.db2.gz YCZGPUBAOWKXPT-INIZCTEOSA-N 1 0 303.406 2.821 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@@H]1CCOC1 ZINC000093840418 193316310 /nfs/dbraw/zinc/31/63/10/193316310.db2.gz IRVRMXQTZUBQBR-JTQLQIEISA-N 1 0 316.304 2.665 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000094098142 193345057 /nfs/dbraw/zinc/34/50/57/193345057.db2.gz PNLPDJFFDRGQEL-AWEZNQCLSA-N 1 0 319.405 2.686 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000094101679 193345504 /nfs/dbraw/zinc/34/55/04/193345504.db2.gz DONUDDWMLJFTKE-GFCCVEGCSA-N 1 0 319.405 2.733 20 5 DFBDRO CC1(C)C[C@@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000595907532 399130581 /nfs/dbraw/zinc/13/05/81/399130581.db2.gz ACMFGDYRWKFECM-MRXNPFEDSA-N 1 0 300.362 2.706 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CC1(C)C ZINC000595910294 399131559 /nfs/dbraw/zinc/13/15/59/399131559.db2.gz STVMGOUGDQMZEZ-RYUDHWBXSA-N 1 0 305.378 2.900 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000595909515 399131607 /nfs/dbraw/zinc/13/16/07/399131607.db2.gz POTCBVXIRGHGHR-LLVKDONJSA-N 1 0 321.377 2.520 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000595910289 399132023 /nfs/dbraw/zinc/13/20/23/399132023.db2.gz SSXSPTGOHWTLBX-GFCCVEGCSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1cc(N2CCC([NH3+])CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420108901 296158702 /nfs/dbraw/zinc/15/87/02/296158702.db2.gz CTXMQRUVTVRNKB-UHFFFAOYSA-N 1 0 303.284 2.850 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000595911817 399133326 /nfs/dbraw/zinc/13/33/26/399133326.db2.gz YZLFFSUBCCSJOB-LBPRGKRZSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420126809 296158992 /nfs/dbraw/zinc/15/89/92/296158992.db2.gz USLJFCHWXUJDCQ-SECBINFHSA-N 1 0 303.284 2.850 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420128018 296159251 /nfs/dbraw/zinc/15/92/51/296159251.db2.gz SQPFLVBWBAQUPX-JTQLQIEISA-N 1 0 315.320 2.632 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000600759367 399137521 /nfs/dbraw/zinc/13/75/21/399137521.db2.gz CYAGRNIOUNRCSL-GDBMZVCRSA-N 1 0 320.389 2.671 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000600759755 399137615 /nfs/dbraw/zinc/13/76/15/399137615.db2.gz HNABQYQKSJZVAX-DZGCQCFKSA-N 1 0 320.389 2.504 20 5 DFBDRO Cc1cc(N2CCC[NH2+]CC2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420157418 296159955 /nfs/dbraw/zinc/15/99/55/296159955.db2.gz GZABSIXEFJELBT-UHFFFAOYSA-N 1 0 303.284 2.722 20 5 DFBDRO C[C@]1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114777 399140491 /nfs/dbraw/zinc/14/04/91/399140491.db2.gz AXTIEQODGWYLTK-SWLSCSKDSA-N 1 0 322.434 2.762 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000600762965 399138802 /nfs/dbraw/zinc/13/88/02/399138802.db2.gz YGYALYAGCAENCB-KGLIPLIRSA-N 1 0 320.389 2.504 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000420188749 296161315 /nfs/dbraw/zinc/16/13/15/296161315.db2.gz OSLCGEXGQRJWTJ-JSGCOSHPSA-N 1 0 312.373 2.830 20 5 DFBDRO CCC(=O)c1ccc(NCC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420205586 296162328 /nfs/dbraw/zinc/16/23/28/296162328.db2.gz PNYHVXCGDWUUSG-GFCCVEGCSA-N 1 0 305.378 2.989 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420210608 296162520 /nfs/dbraw/zinc/16/25/20/296162520.db2.gz SGFCTIRHCTURII-JTQLQIEISA-N 1 0 315.320 2.998 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2CCCC[C@H]2C[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420200788 296162040 /nfs/dbraw/zinc/16/20/40/296162040.db2.gz OHFFADVZIUHIBW-SMDDNHRTSA-N 1 0 321.377 2.619 20 5 DFBDRO C[NH2+]CC1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])CC1 ZINC000420199854 296162085 /nfs/dbraw/zinc/16/20/85/296162085.db2.gz WXWNJWSVZVCAMW-UHFFFAOYSA-N 1 0 314.389 2.887 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420213816 296162714 /nfs/dbraw/zinc/16/27/14/296162714.db2.gz IDPRKQZORBUBKH-CHWSQXEVSA-N 1 0 312.373 2.830 20 5 DFBDRO Cc1cc(N2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420212926 296162731 /nfs/dbraw/zinc/16/27/31/296162731.db2.gz ULZORUFXMHRRNZ-SECBINFHSA-N 1 0 303.284 2.720 20 5 DFBDRO CCC([NH3+])(CC)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000420216911 296162890 /nfs/dbraw/zinc/16/28/90/296162890.db2.gz UKYXMBZBDZCAAV-UHFFFAOYSA-N 1 0 309.366 2.619 20 5 DFBDRO CCCN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000420217802 296163033 /nfs/dbraw/zinc/16/30/33/296163033.db2.gz NEMSEMBOPSSPIB-CYBMUJFWSA-N 1 0 300.362 2.721 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]([NH3+])c1ccccc1 ZINC000420223301 296163272 /nfs/dbraw/zinc/16/32/72/296163272.db2.gz UTVOILKHELNBKR-OAHLLOKOSA-N 1 0 301.346 2.853 20 5 DFBDRO Cc1cc(N2CC[C@H]([C@H](C)[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420227042 296163930 /nfs/dbraw/zinc/16/39/30/296163930.db2.gz BJTADVZSAMAERG-RYUDHWBXSA-N 1 0 300.362 2.625 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC2(C1)CC[NH2+]CC2 ZINC000420223420 296163452 /nfs/dbraw/zinc/16/34/52/296163452.db2.gz AIRPEVLGHMRNQW-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420225060 296163599 /nfs/dbraw/zinc/16/35/99/296163599.db2.gz YBDSXOFLKNHDRT-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420225059 296163654 /nfs/dbraw/zinc/16/36/54/296163654.db2.gz YBDSXOFLKNHDRT-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000060842407 399144921 /nfs/dbraw/zinc/14/49/21/399144921.db2.gz SGJJTFZLDRZJFU-LLVKDONJSA-N 1 0 308.338 2.789 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420238226 296165019 /nfs/dbraw/zinc/16/50/19/296165019.db2.gz HDFFWMOQBFIBMV-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420246889 296165322 /nfs/dbraw/zinc/16/53/22/296165322.db2.gz NPLJCUHBDCWNTI-WPRPVWTQSA-N 1 0 301.293 2.749 20 5 DFBDRO CCOc1cccc(N2CCC[C@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420247799 296165454 /nfs/dbraw/zinc/16/54/54/296165454.db2.gz HKKTWXDPZPGBSM-MRXNPFEDSA-N 1 0 305.378 2.573 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420252794 296165886 /nfs/dbraw/zinc/16/58/86/296165886.db2.gz ONOVCDIMHPXDNY-SCZZXKLOSA-N 1 0 303.284 2.848 20 5 DFBDRO Cc1c(C[C@@H](C[NH3+])CO)cccc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000600788598 399146515 /nfs/dbraw/zinc/14/65/15/399146515.db2.gz DYUQKLCZMUAAEB-LBPRGKRZSA-N 1 0 318.348 2.819 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420258513 296166505 /nfs/dbraw/zinc/16/65/05/296166505.db2.gz XTQRANHAQQIHFX-MFKMUULPSA-N 1 0 316.336 2.722 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000264684426 204077516 /nfs/dbraw/zinc/07/75/16/204077516.db2.gz XVGADIUDLWGCRW-AWEZNQCLSA-N 1 0 305.334 2.911 20 5 DFBDRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687924 204078509 /nfs/dbraw/zinc/07/85/09/204078509.db2.gz CYXRPSNYUKHGPF-NWDGAFQWSA-N 1 0 323.393 2.908 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCNCC1(F)F ZINC000420285921 296169422 /nfs/dbraw/zinc/16/94/22/296169422.db2.gz PTGOISBLRHATEI-QMMMGPOBSA-N 1 0 305.712 2.905 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000341500919 284263228 /nfs/dbraw/zinc/26/32/28/284263228.db2.gz NUXHJHAZUCAKLW-HNNXBMFYSA-N 1 0 322.405 2.882 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000596053260 399156918 /nfs/dbraw/zinc/15/69/18/399156918.db2.gz CJBLGKJNJMLMEC-CYBMUJFWSA-N 1 0 320.324 2.549 20 5 DFBDRO COC(=O)c1ccc(-c2cccc3c2C[C@@H]2[C@@H]([NH3+])[C@H]32)c([N+](=O)[O-])c1 ZINC000600845949 399158808 /nfs/dbraw/zinc/15/88/08/399158808.db2.gz TZCKUUGIBURZKD-USXIJHARSA-N 1 0 324.336 2.645 20 5 DFBDRO Cc1cc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596069561 399162200 /nfs/dbraw/zinc/16/22/00/399162200.db2.gz MMPHGXBHIDKJRI-PHIMTYICSA-N 1 0 313.423 2.876 20 5 DFBDRO O=[N+]([O-])c1ccc(OCc2cccc3c2CC[NH2+]C3)c(F)c1 ZINC000596070120 399162325 /nfs/dbraw/zinc/16/23/25/399162325.db2.gz NOHYBIIHSMGLBP-UHFFFAOYSA-N 1 0 302.305 2.959 20 5 DFBDRO O=C(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000618571660 399163692 /nfs/dbraw/zinc/16/36/92/399163692.db2.gz FWSQOXZWPQFTFZ-INIZCTEOSA-N 1 0 317.389 2.621 20 5 DFBDRO C[C@@H](CNc1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596077268 399164597 /nfs/dbraw/zinc/16/45/97/399164597.db2.gz TUVNKKDKBZFUCH-QMMMGPOBSA-N 1 0 302.172 2.719 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1(C[NH3+])CCC1 ZINC000420325140 296175132 /nfs/dbraw/zinc/17/51/32/296175132.db2.gz IGQQFTOQYSYOEV-UHFFFAOYSA-N 1 0 307.394 2.695 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288209491 220019076 /nfs/dbraw/zinc/01/90/76/220019076.db2.gz CZWALYXYQJBZTJ-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO C[N@H+](CCNc1ccc(N)cc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000288241643 220038268 /nfs/dbraw/zinc/03/82/68/220038268.db2.gz FREINTNQLDZHAZ-UHFFFAOYSA-N 1 0 318.352 2.860 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596093549 399171162 /nfs/dbraw/zinc/17/11/62/399171162.db2.gz VMKHLQWWPBEIAS-LBPRGKRZSA-N 1 0 320.349 2.783 20 5 DFBDRO Cc1ccc([C@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000596092151 399171143 /nfs/dbraw/zinc/17/11/43/399171143.db2.gz KZKRRYULQZEQJV-AWEZNQCLSA-N 1 0 316.361 2.719 20 5 DFBDRO CCOc1cc(N2CC[C@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000486929991 299431591 /nfs/dbraw/zinc/43/15/91/299431591.db2.gz BLMRNFRXARIOFI-AWEZNQCLSA-N 1 0 307.394 2.914 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342087697 284323256 /nfs/dbraw/zinc/32/32/56/284323256.db2.gz POMDAZXRCLFDQQ-RCBQFDQVSA-N 1 0 319.405 2.553 20 5 DFBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420395830 296185713 /nfs/dbraw/zinc/18/57/13/296185713.db2.gz CMBUBIRCYJCOEB-LBPRGKRZSA-N 1 0 301.321 2.624 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265966368 205003984 /nfs/dbraw/zinc/00/39/84/205003984.db2.gz HZRSSEWSDLDNOU-ZDUSSCGKSA-N 1 0 321.421 2.719 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342474170 284340276 /nfs/dbraw/zinc/34/02/76/284340276.db2.gz PLVYZMLYNSHCGH-UPJWGTAASA-N 1 0 305.378 2.645 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000600947774 399184355 /nfs/dbraw/zinc/18/43/55/399184355.db2.gz NJESIUDHECFBNK-HNNXBMFYSA-N 1 0 300.362 2.577 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[N@H+](C)C1 ZINC000266048328 205057437 /nfs/dbraw/zinc/05/74/37/205057437.db2.gz CFCQKOUBPJLDNH-ZDUSSCGKSA-N 1 0 317.345 2.507 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000600947802 399184656 /nfs/dbraw/zinc/18/46/56/399184656.db2.gz NSHNPLWNVFAWSH-INIZCTEOSA-N 1 0 300.362 2.577 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282770787 217238041 /nfs/dbraw/zinc/23/80/41/217238041.db2.gz LSKILFPCOPOBJB-WFASDCNBSA-N 1 0 317.389 2.755 20 5 DFBDRO Cc1cc(N2C[C@@H]([NH3+])C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000600962685 399188487 /nfs/dbraw/zinc/18/84/87/399188487.db2.gz JOICXYQUMDAGHZ-IUCAKERBSA-N 1 0 314.183 2.592 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1csc([N+](=O)[O-])c1 ZINC000266117500 205111205 /nfs/dbraw/zinc/11/12/05/205111205.db2.gz IIVWXQJJFKTFBB-GFCCVEGCSA-N 1 0 311.407 2.603 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000600956676 399186765 /nfs/dbraw/zinc/18/67/65/399186765.db2.gz WSVXQCAANNZUHE-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000596138188 399186957 /nfs/dbraw/zinc/18/69/57/399186957.db2.gz RANUYYRSOZAADB-LBPRGKRZSA-N 1 0 324.812 2.955 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000600958184 399187440 /nfs/dbraw/zinc/18/74/40/399187440.db2.gz AGWLSIRUTFTDBC-GFCCVEGCSA-N 1 0 300.362 2.851 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000600958555 399187475 /nfs/dbraw/zinc/18/74/75/399187475.db2.gz HTNFKNFXCYVMGW-LBPRGKRZSA-N 1 0 300.362 2.851 20 5 DFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266171442 205157257 /nfs/dbraw/zinc/15/72/57/205157257.db2.gz RCHYACOPAGWZCK-LSDHHAIUSA-N 1 0 322.361 2.509 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000266194913 205172586 /nfs/dbraw/zinc/17/25/86/205172586.db2.gz ZVCZNXQXTWOVDX-WQVCFCJDSA-N 1 0 320.389 2.897 20 5 DFBDRO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000198374810 399193959 /nfs/dbraw/zinc/19/39/59/399193959.db2.gz CYTFZLWUHMKRBY-ZDUSSCGKSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000288377753 220118123 /nfs/dbraw/zinc/11/81/23/220118123.db2.gz LNAPZFOLEJKEBG-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000266334994 205274282 /nfs/dbraw/zinc/27/42/82/205274282.db2.gz HJZLPEYFCYOJDF-LLVKDONJSA-N 1 0 315.320 2.727 20 5 DFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000063778374 399208148 /nfs/dbraw/zinc/20/81/48/399208148.db2.gz OLEMAZGXHRKONM-UHFFFAOYSA-N 1 0 319.405 2.931 20 5 DFBDRO COCCC[N@@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000081086228 399210288 /nfs/dbraw/zinc/21/02/88/399210288.db2.gz ZVBNJEZIBOUZQC-OAHLLOKOSA-N 1 0 321.421 2.700 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282970857 217358451 /nfs/dbraw/zinc/35/84/51/217358451.db2.gz CUWOEJFPKMREMS-UHFFFAOYSA-N 1 0 312.341 2.945 20 5 DFBDRO CCOC(=O)CC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000064343880 399220811 /nfs/dbraw/zinc/22/08/11/399220811.db2.gz CVDLVEZWLWJGNT-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601111449 399230348 /nfs/dbraw/zinc/23/03/48/399230348.db2.gz SAKBWLFVHPDXBO-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1c(C[NH2+]Cc2c3c(nn2C)CCCC3)cccc1[N+](=O)[O-] ZINC000601117951 399231842 /nfs/dbraw/zinc/23/18/42/399231842.db2.gz BGVRAQXYYFGDGO-UHFFFAOYSA-N 1 0 314.389 2.805 20 5 DFBDRO CCC[C@@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601139862 399239387 /nfs/dbraw/zinc/23/93/87/399239387.db2.gz MIUCSHBJDMFDTD-NSHDSACASA-N 1 0 318.320 2.837 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)o1 ZINC000601140579 399239675 /nfs/dbraw/zinc/23/96/75/399239675.db2.gz YTUMELCDWNRPMB-TXEJJXNPSA-N 1 0 302.330 2.715 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)cn1 ZINC000614493505 399240016 /nfs/dbraw/zinc/24/00/16/399240016.db2.gz TWSNXVDUAQDKDU-QGZVFWFLSA-N 1 0 324.384 2.799 20 5 DFBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601152471 399242516 /nfs/dbraw/zinc/24/25/16/399242516.db2.gz DVGVQSWQLLMMMQ-KRWDZBQOSA-N 1 0 318.348 2.817 20 5 DFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065533995 399245806 /nfs/dbraw/zinc/24/58/06/399245806.db2.gz MPXWHUGJNCQSRZ-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CC(F)F)c2ccccc2)n1 ZINC000420990912 296221071 /nfs/dbraw/zinc/22/10/71/296221071.db2.gz HAGOJYDZFSSALV-GFCCVEGCSA-N 1 0 310.304 2.777 20 5 DFBDRO CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421001889 296222874 /nfs/dbraw/zinc/22/28/74/296222874.db2.gz QEGRKGMQBGJPLB-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000420999776 296222623 /nfs/dbraw/zinc/22/26/23/296222623.db2.gz JSIFDXLADQFPOD-HNNXBMFYSA-N 1 0 307.394 2.520 20 5 DFBDRO C[C@@H]1C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@H]1C ZINC000267767730 206268808 /nfs/dbraw/zinc/26/88/08/206268808.db2.gz GGLIGJXRJSLYCY-GHMZBOCLSA-N 1 0 302.334 2.733 20 5 DFBDRO Cc1cc(NC(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000421094153 296234788 /nfs/dbraw/zinc/23/47/88/296234788.db2.gz SEIZULZZRICAJX-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCc2nccn2C1 ZINC000614772278 399266521 /nfs/dbraw/zinc/26/65/21/399266521.db2.gz FHTZRKQSODAFRE-LLVKDONJSA-N 1 0 306.391 2.547 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421117869 296236788 /nfs/dbraw/zinc/23/67/88/296236788.db2.gz YSCIEVKJWKDHGA-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267871580 206312795 /nfs/dbraw/zinc/31/27/95/206312795.db2.gz ZVQAALZLPODHQC-GRYCIOLGSA-N 1 0 321.377 2.518 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H](O)C(F)F)C1CC1 ZINC000601298775 399272541 /nfs/dbraw/zinc/27/25/41/399272541.db2.gz LBTCSTKUMZOHLV-GXTWGEPZSA-N 1 0 314.332 2.522 20 5 DFBDRO Cc1c(Cl)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000421327815 296244952 /nfs/dbraw/zinc/24/49/52/296244952.db2.gz RFTFHZGAVWTQGF-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)N(Cc1c(F)cccc1[N+](=O)[O-])CCO2 ZINC000601324470 399277628 /nfs/dbraw/zinc/27/76/28/399277628.db2.gz NLFLTFNETQWXMT-UHFFFAOYSA-N 1 0 317.320 2.592 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)cn1 ZINC000344435115 284602657 /nfs/dbraw/zinc/60/26/57/284602657.db2.gz NZASGVJOAYSSNS-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601562554 399301082 /nfs/dbraw/zinc/30/10/82/399301082.db2.gz DRXKBXVKMFLRES-ZDUSSCGKSA-N 1 0 320.393 2.803 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000609257618 399310767 /nfs/dbraw/zinc/31/07/67/399310767.db2.gz AUZVBZLZYJISJM-OAHLLOKOSA-N 1 0 316.361 2.507 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615203281 399311959 /nfs/dbraw/zinc/31/19/59/399311959.db2.gz XRPDZHPBLATUCZ-DOMZBBRYSA-N 1 0 319.405 2.788 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384428 399316416 /nfs/dbraw/zinc/31/64/16/399316416.db2.gz UMBMIJIZXPEBTR-CQSZACIVSA-N 1 0 303.362 2.694 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421684634 296272341 /nfs/dbraw/zinc/27/23/41/296272341.db2.gz LFBLEIHXORZWFN-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421738043 296274415 /nfs/dbraw/zinc/27/44/15/296274415.db2.gz PDROVITYOIGPRN-UHFFFAOYSA-N 1 0 307.394 2.673 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000601745849 399330121 /nfs/dbraw/zinc/33/01/21/399330121.db2.gz ZVYUMYHYUJKCCG-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCC2(O)CCC2)n1 ZINC000421856605 296278028 /nfs/dbraw/zinc/27/80/28/296278028.db2.gz NQBUFCNZWTXMON-ZIAGYGMSSA-N 1 0 322.409 2.560 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601791941 399337719 /nfs/dbraw/zinc/33/77/19/399337719.db2.gz RLLNSKHLGHYOOJ-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO COc1cccc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000344979159 284721831 /nfs/dbraw/zinc/72/18/31/284721831.db2.gz WKBAOCMGLOSBHB-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000610161465 399344980 /nfs/dbraw/zinc/34/49/80/399344980.db2.gz VKALOJGQBVJLFQ-AWEZNQCLSA-N 1 0 300.358 2.978 20 5 DFBDRO Cc1cc(NC(=O)N(C)CCCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000615541524 399350605 /nfs/dbraw/zinc/35/06/05/399350605.db2.gz WCPVMTIXWOBRAL-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc(C2(c3nc([C@H]4CCC[NH2+]4)no3)CCC2)cc1 ZINC000601925405 399358983 /nfs/dbraw/zinc/35/89/83/399358983.db2.gz MFWMIJRMNOBMBM-CYBMUJFWSA-N 1 0 314.345 2.872 20 5 DFBDRO O=[N+]([O-])c1ccc(C2(c3nc([C@@H]4CCC[NH2+]4)no3)CCC2)cc1 ZINC000601925406 399359023 /nfs/dbraw/zinc/35/90/23/399359023.db2.gz MFWMIJRMNOBMBM-ZDUSSCGKSA-N 1 0 314.345 2.872 20 5 DFBDRO CCC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000610367479 399361549 /nfs/dbraw/zinc/36/15/49/399361549.db2.gz SDSRWQBNSFFOFM-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000610369514 399362188 /nfs/dbraw/zinc/36/21/88/399362188.db2.gz HWWXYLOWVUZGBZ-UONOGXRCSA-N 1 0 317.389 2.743 20 5 DFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000284881922 218219520 /nfs/dbraw/zinc/21/95/20/218219520.db2.gz TUCYNQCKWKGOTR-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000610422008 399366735 /nfs/dbraw/zinc/36/67/35/399366735.db2.gz FYANJCUPWKRLCZ-WQGACYEGSA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC12CCC2 ZINC000610433286 399368062 /nfs/dbraw/zinc/36/80/62/399368062.db2.gz AOOOKWZVCZVGNX-UHFFFAOYSA-N 1 0 303.362 2.860 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(OC)cc1 ZINC000610447537 399368595 /nfs/dbraw/zinc/36/85/95/399368595.db2.gz JYXMDKJPWHBGBK-UHFFFAOYSA-N 1 0 318.377 2.712 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(F)cc3)CCC2)c1 ZINC000610447718 399368787 /nfs/dbraw/zinc/36/87/87/399368787.db2.gz DXJWMUUBKSZMKJ-UHFFFAOYSA-N 1 0 304.325 2.599 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949466 218247131 /nfs/dbraw/zinc/24/71/31/218247131.db2.gz FBBAYABUGFVBDK-QLJPJBMISA-N 1 0 319.336 2.700 20 5 DFBDRO CN(CCC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619622486 399369426 /nfs/dbraw/zinc/36/94/26/399369426.db2.gz ZMPRQPQFYSCDGI-UHFFFAOYSA-N 1 0 318.377 2.654 20 5 DFBDRO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105899944 194165553 /nfs/dbraw/zinc/16/55/53/194165553.db2.gz HJMWTFROXFYPGG-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610539319 399378353 /nfs/dbraw/zinc/37/83/53/399378353.db2.gz JDBJQHQOMCUEOG-QEORTHHSSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1cc(C(=O)NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000345852033 284778477 /nfs/dbraw/zinc/77/84/77/284778477.db2.gz QYDSEWOAWMCERW-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000268498271 206756287 /nfs/dbraw/zinc/75/62/87/206756287.db2.gz QXOQDBDAWKIEBE-UHFFFAOYSA-N 1 0 321.377 2.586 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000602018306 399385518 /nfs/dbraw/zinc/38/55/18/399385518.db2.gz YOIZZLZPMKBLTA-UHFFFAOYSA-N 1 0 314.267 2.600 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789551 194252772 /nfs/dbraw/zinc/25/27/72/194252772.db2.gz UTFPNISFMKTQFA-CYBMUJFWSA-N 1 0 317.389 2.650 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615837147 399388040 /nfs/dbraw/zinc/38/80/40/399388040.db2.gz OJWOFVRVUFMSIG-OEFJIQFBSA-N 1 0 303.406 2.928 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619782566 399391457 /nfs/dbraw/zinc/39/14/57/399391457.db2.gz DDWFZGPWBQMFKE-WCQYABFASA-N 1 0 322.386 2.747 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000619822268 399394121 /nfs/dbraw/zinc/39/41/21/399394121.db2.gz IIDXJAXDEXJCKT-KCXAZCMYSA-N 1 0 300.362 2.573 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268867950 207037984 /nfs/dbraw/zinc/03/79/84/207037984.db2.gz JOPGKESHXBYXSX-CXAGYDPISA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268869298 207038574 /nfs/dbraw/zinc/03/85/74/207038574.db2.gz JOPGKESHXBYXSX-SUMWQHHRSA-N 1 0 300.358 2.849 20 5 DFBDRO CC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115195 399397452 /nfs/dbraw/zinc/39/74/52/399397452.db2.gz GUYPUEIUHQIWLR-SWLSCSKDSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000268886716 207057479 /nfs/dbraw/zinc/05/74/79/207057479.db2.gz IZLXQUPVQFXDHM-LBPRGKRZSA-N 1 0 305.378 2.600 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000602166608 399403614 /nfs/dbraw/zinc/40/36/14/399403614.db2.gz ISMOSPVMGPQMSY-UHFFFAOYSA-N 1 0 308.382 2.553 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC000610765568 399403842 /nfs/dbraw/zinc/40/38/42/399403842.db2.gz XDLSKGAZOIUKHD-QGZVFWFLSA-N 1 0 313.357 2.781 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610798731 399408027 /nfs/dbraw/zinc/40/80/27/399408027.db2.gz WGTXWJMZXHQBMT-KKUMJFAQSA-N 1 0 321.421 2.663 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057156526 184028440 /nfs/dbraw/zinc/02/84/40/184028440.db2.gz CYNNUQSUAVIDPV-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000268955182 207119396 /nfs/dbraw/zinc/11/93/96/207119396.db2.gz WCXZRIAZHMLPIR-SNVBAGLBSA-N 1 0 305.300 2.740 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000602231653 399412818 /nfs/dbraw/zinc/41/28/18/399412818.db2.gz BJXNEIORPQPTFV-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCCCC1 ZINC000060366864 184147059 /nfs/dbraw/zinc/14/70/59/184147059.db2.gz XVBYZDAUMSIQMO-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO COC(=O)C1([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000611155547 399439479 /nfs/dbraw/zinc/43/94/79/399439479.db2.gz VVJSUSCTXQNHRH-UHFFFAOYSA-N 1 0 320.389 2.945 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000602431219 399442427 /nfs/dbraw/zinc/44/24/27/399442427.db2.gz CZGGCMXWJMFYTB-UHFFFAOYSA-N 1 0 323.368 2.776 20 5 DFBDRO CC(C)CC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602452115 399447832 /nfs/dbraw/zinc/44/78/32/399447832.db2.gz GFQGBNJWKDANJF-INIZCTEOSA-N 1 0 321.421 2.797 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000611248142 399450867 /nfs/dbraw/zinc/45/08/67/399450867.db2.gz FRHNEVRAVGOHPJ-IACUBPJLSA-N 1 0 308.378 2.948 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000611248437 399450904 /nfs/dbraw/zinc/45/09/04/399450904.db2.gz BBGFUESKEUMXQW-LBPRGKRZSA-N 1 0 308.378 2.949 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(O)CCCC2)cc1[N+](=O)[O-] ZINC000611248436 399451135 /nfs/dbraw/zinc/45/11/35/399451135.db2.gz BBGFUESKEUMXQW-GFCCVEGCSA-N 1 0 308.378 2.949 20 5 DFBDRO Cn1cc(C[N@H+](CCc2ccc(F)cc2)C2CC2)c([N+](=O)[O-])n1 ZINC000602469433 399452319 /nfs/dbraw/zinc/45/23/19/399452319.db2.gz SMOPRPOYEGINIS-UHFFFAOYSA-N 1 0 318.352 2.675 20 5 DFBDRO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602494312 399460509 /nfs/dbraw/zinc/46/05/09/399460509.db2.gz NMCHLIUUTQKVKF-NOZJJQNGSA-N 1 0 318.295 2.816 20 5 DFBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602473301 399453883 /nfs/dbraw/zinc/45/38/83/399453883.db2.gz LTMWRHXVUAHFCS-ZDUSSCGKSA-N 1 0 302.378 2.700 20 5 DFBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478453 399456911 /nfs/dbraw/zinc/45/69/11/399456911.db2.gz YKMBXFATLWLFAZ-IUODEOHRSA-N 1 0 300.362 2.706 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000611282364 399457291 /nfs/dbraw/zinc/45/72/91/399457291.db2.gz NQPINANOQXQDAI-OCCSQVGLSA-N 1 0 319.405 2.590 20 5 DFBDRO CSCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602498819 399461028 /nfs/dbraw/zinc/46/10/28/399461028.db2.gz LFPZEPCMDHFMGM-UHFFFAOYSA-N 1 0 311.226 2.871 20 5 DFBDRO CN(C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000602499873 399461208 /nfs/dbraw/zinc/46/12/08/399461208.db2.gz URMJGINSSUIEAJ-OAHLLOKOSA-N 1 0 303.362 2.623 20 5 DFBDRO CCC1(O)CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000611314625 399461469 /nfs/dbraw/zinc/46/14/69/399461469.db2.gz UVQHPMKZBDYFSU-UHFFFAOYSA-N 1 0 308.378 2.777 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510567 399464149 /nfs/dbraw/zinc/46/41/49/399464149.db2.gz ZQVPBEYKXLYOEO-GFCCVEGCSA-N 1 0 318.377 2.700 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C(C3CC3)C3CC3)CC2)cn1 ZINC000602526818 399467983 /nfs/dbraw/zinc/46/79/83/399467983.db2.gz GQHDQEQZLSPBCL-UHFFFAOYSA-N 1 0 316.405 2.737 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066139924 184392165 /nfs/dbraw/zinc/39/21/65/184392165.db2.gz GDXMJUBINCNAPB-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000611409049 399471544 /nfs/dbraw/zinc/47/15/44/399471544.db2.gz HAVALVNCFZETMT-JTQLQIEISA-N 1 0 305.334 2.929 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602551803 399474066 /nfs/dbraw/zinc/47/40/66/399474066.db2.gz FWMHPNAQUYSMAM-WCQYABFASA-N 1 0 305.378 2.589 20 5 DFBDRO COc1cc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000602549285 399473355 /nfs/dbraw/zinc/47/33/55/399473355.db2.gz ZYCYWHUXBSRVTN-UHFFFAOYSA-N 1 0 316.357 2.684 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000422753964 296326847 /nfs/dbraw/zinc/32/68/47/296326847.db2.gz JBWKHUCSDAOGNA-KBPBESRZSA-N 1 0 319.405 2.638 20 5 DFBDRO CO[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000602558950 399475041 /nfs/dbraw/zinc/47/50/41/399475041.db2.gz QPBAUKXQAWARMC-QGZVFWFLSA-N 1 0 314.385 2.985 20 5 DFBDRO CC[S@](=O)[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602565086 399477202 /nfs/dbraw/zinc/47/72/02/399477202.db2.gz PIAIBYBJGAXXPK-DDVAMESESA-N 1 0 324.446 2.807 20 5 DFBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602560861 399475788 /nfs/dbraw/zinc/47/57/88/399475788.db2.gz WBQHVHFURXNATG-BQBZGAKWSA-N 1 0 323.212 2.525 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000611464410 399478582 /nfs/dbraw/zinc/47/85/82/399478582.db2.gz ONJKADHVLDAKKO-SECBINFHSA-N 1 0 302.277 2.586 20 5 DFBDRO CCN1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000611475778 399480154 /nfs/dbraw/zinc/48/01/54/399480154.db2.gz HOHQFGWVCPEOKK-DZKIICNBSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000602579315 399481389 /nfs/dbraw/zinc/48/13/89/399481389.db2.gz JFXIEOXFGVHLQP-GFCCVEGCSA-N 1 0 304.394 2.737 20 5 DFBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602581036 399482193 /nfs/dbraw/zinc/48/21/93/399482193.db2.gz GVVXSTQQCIHGQT-GWCFXTLKSA-N 1 0 305.334 2.641 20 5 DFBDRO C[C@@]1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CCOC1 ZINC000602578004 399480975 /nfs/dbraw/zinc/48/09/75/399480975.db2.gz SSNGJHGDACNKIH-SNVBAGLBSA-N 1 0 321.196 2.687 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCO1 ZINC000602584771 399483117 /nfs/dbraw/zinc/48/31/17/399483117.db2.gz ANHXMZPGCLGEAM-MFKMUULPSA-N 1 0 305.334 2.783 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502300 399483387 /nfs/dbraw/zinc/48/33/87/399483387.db2.gz RAXUMVOURRWGIO-AAEUAGOBSA-N 1 0 323.368 2.912 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCc3nccs3)nc2c1 ZINC000602593991 399486688 /nfs/dbraw/zinc/48/66/88/399486688.db2.gz NNRGGFBMYBBNBG-UHFFFAOYSA-N 1 0 318.358 2.915 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cccs1 ZINC000611522455 399488111 /nfs/dbraw/zinc/48/81/11/399488111.db2.gz ZZEKYWGJABLTHD-LBPRGKRZSA-N 1 0 306.391 2.998 20 5 DFBDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606312 399488606 /nfs/dbraw/zinc/48/86/06/399488606.db2.gz OWZIJGOQPVBZPX-UWVGGRQHSA-N 1 0 318.295 2.816 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000602636524 399498809 /nfs/dbraw/zinc/49/88/09/399498809.db2.gz IGFYJOOZNXNZBB-GFCCVEGCSA-N 1 0 306.366 2.622 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602641416 399499930 /nfs/dbraw/zinc/49/99/30/399499930.db2.gz AYCOKPOKJGWVDZ-INIZCTEOSA-N 1 0 318.352 2.631 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1 ZINC000611615765 399498924 /nfs/dbraw/zinc/49/89/24/399498924.db2.gz ZZLVCXKYSCLSAC-ZIAGYGMSSA-N 1 0 322.409 2.518 20 5 DFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602639078 399499311 /nfs/dbraw/zinc/49/93/11/399499311.db2.gz ZJFIELDMSHPJIS-QMTHXVAHSA-N 1 0 306.366 2.622 20 5 DFBDRO COCCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602639130 399499506 /nfs/dbraw/zinc/49/95/06/399499506.db2.gz UEIIFPRVCCMXOC-UHFFFAOYSA-N 1 0 305.334 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCO3)nc2c1 ZINC000602653164 399503985 /nfs/dbraw/zinc/50/39/85/399503985.db2.gz NALIWGLFRRIEQZ-UKRRQHHQSA-N 1 0 317.345 2.879 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000422832577 296341390 /nfs/dbraw/zinc/34/13/90/296341390.db2.gz YAOQOWOYUKRFPG-GHMZBOCLSA-N 1 0 323.418 2.529 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCn1cccn1 ZINC000347359550 285013346 /nfs/dbraw/zinc/01/33/46/285013346.db2.gz IBKXPRRFJUBANK-KAMYIIQDSA-N 1 0 300.362 2.827 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000422870661 296347697 /nfs/dbraw/zinc/34/76/97/296347697.db2.gz XUZIKMBFSUKFTP-MRXNPFEDSA-N 1 0 307.394 2.705 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422880398 296349355 /nfs/dbraw/zinc/34/93/55/296349355.db2.gz OARVNCJCXVPZLF-UHFFFAOYSA-N 1 0 307.394 2.966 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602675485 399515605 /nfs/dbraw/zinc/51/56/05/399515605.db2.gz JSDCMBZRFKLAAA-LBPRGKRZSA-N 1 0 320.393 2.946 20 5 DFBDRO COc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000119811741 195041748 /nfs/dbraw/zinc/04/17/48/195041748.db2.gz FLQAJIYUKHUUMM-GWCFXTLKSA-N 1 0 311.357 2.883 20 5 DFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602675530 399515707 /nfs/dbraw/zinc/51/57/07/399515707.db2.gz UEVZOWFLUNXZFF-IINYFYTJSA-N 1 0 307.350 2.887 20 5 DFBDRO CC[NH+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000119982118 195074526 /nfs/dbraw/zinc/07/45/26/195074526.db2.gz PGGSIVXLYJVYSA-UHFFFAOYSA-N 1 0 308.382 2.675 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000602680663 399517845 /nfs/dbraw/zinc/51/78/45/399517845.db2.gz FQFYQLNCAIZYQI-ZDUSSCGKSA-N 1 0 318.295 2.864 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CCSC1 ZINC000120050907 195087262 /nfs/dbraw/zinc/08/72/62/195087262.db2.gz FEKHELXAIWGARC-ZDUSSCGKSA-N 1 0 323.418 2.669 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)O ZINC000602684350 399519272 /nfs/dbraw/zinc/51/92/72/399519272.db2.gz WMWALAANZPEYBD-IMTBSYHQSA-N 1 0 323.212 2.668 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC=C(C)CC1 ZINC000270134063 208193198 /nfs/dbraw/zinc/19/31/98/208193198.db2.gz HMEZWSDEQADTAG-UHFFFAOYSA-N 1 0 319.361 2.584 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262569232 285085865 /nfs/dbraw/zinc/08/58/65/285085865.db2.gz XFPUKFPKDPEVGP-CYBMUJFWSA-N 1 0 315.295 2.803 20 5 DFBDRO CN(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1C[NH+](C)C1 ZINC000602711452 399533972 /nfs/dbraw/zinc/53/39/72/399533972.db2.gz YFOUIORLLCNXHO-UHFFFAOYSA-N 1 0 317.311 2.607 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000372754680 285102313 /nfs/dbraw/zinc/10/23/13/285102313.db2.gz ZEYXYWUKPOZZTK-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c2CCOC3)cc1 ZINC000602743788 399552320 /nfs/dbraw/zinc/55/23/20/399552320.db2.gz WRJYHYDMOGRWOT-UHFFFAOYSA-N 1 0 312.369 3.000 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000289871138 285115082 /nfs/dbraw/zinc/11/50/82/285115082.db2.gz PBEIDKRUQHTUAH-MSOLQXFVSA-N 1 0 312.369 2.851 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347662958 285119422 /nfs/dbraw/zinc/11/94/22/285119422.db2.gz NTQFVSJBBWQHGN-OAHLLOKOSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1c(CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077014 296375540 /nfs/dbraw/zinc/37/55/40/296375540.db2.gz LBEJMFMOMQXFOR-WMLDXEAASA-N 1 0 313.401 2.951 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000120232375 195124195 /nfs/dbraw/zinc/12/41/95/195124195.db2.gz YQPQMGNYYSVEBO-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000602760795 399559548 /nfs/dbraw/zinc/55/95/48/399559548.db2.gz BZVZSUIBCPRHQS-OAHLLOKOSA-N 1 0 300.362 2.719 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120246172 195126843 /nfs/dbraw/zinc/12/68/43/195126843.db2.gz BQCWOVIRFUEIIM-WQVCFCJDSA-N 1 0 320.389 2.719 20 5 DFBDRO C[N@@H+](Cc1ccsc1)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612028513 399561466 /nfs/dbraw/zinc/56/14/66/399561466.db2.gz CDGHJYNDNOOMSA-ZDUSSCGKSA-N 1 0 322.386 2.528 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000272020980 209392107 /nfs/dbraw/zinc/39/21/07/209392107.db2.gz LIGVXNVHMNAJTI-RISCZKNCSA-N 1 0 312.391 2.868 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cccs1)C1CC1 ZINC000602765975 399562744 /nfs/dbraw/zinc/56/27/44/399562744.db2.gz JITWXNWHGCEGGA-UHFFFAOYSA-N 1 0 306.391 2.826 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000272899215 210286776 /nfs/dbraw/zinc/28/67/76/210286776.db2.gz CNANLVSKWAGNPS-CQSZACIVSA-N 1 0 308.378 2.599 20 5 DFBDRO CC(=O)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286518793 219032429 /nfs/dbraw/zinc/03/24/29/219032429.db2.gz ZLMUVMVZURCMRP-IUODEOHRSA-N 1 0 317.389 2.860 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CCC2 ZINC000368102958 285144593 /nfs/dbraw/zinc/14/45/93/285144593.db2.gz RAQBZRXJFOAUQX-WFASDCNBSA-N 1 0 312.373 2.842 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000602781319 399570898 /nfs/dbraw/zinc/57/08/98/399570898.db2.gz JQWYMWJSDKYFSS-UHFFFAOYSA-N 1 0 314.345 2.978 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000332531391 285163454 /nfs/dbraw/zinc/16/34/54/285163454.db2.gz HFRAYCMBKWDFTB-HNNXBMFYSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000602783121 399572268 /nfs/dbraw/zinc/57/22/68/399572268.db2.gz YQQQHKLARPSVPX-XJKSGUPXSA-N 1 0 314.389 2.978 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000602791596 399576137 /nfs/dbraw/zinc/57/61/37/399576137.db2.gz GGYUOTOOJXYQSS-UHFFFAOYSA-N 1 0 304.325 2.518 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCc1ccc(Cl)cc1 ZINC000602789261 399574642 /nfs/dbraw/zinc/57/46/42/399574642.db2.gz YVVUANDYHUAZMO-UHFFFAOYSA-N 1 0 322.796 2.928 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000602798794 399579793 /nfs/dbraw/zinc/57/97/93/399579793.db2.gz WGCZZLOZASPHID-LLVKDONJSA-N 1 0 304.350 2.918 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2C1(C)C ZINC000602801991 399581229 /nfs/dbraw/zinc/58/12/29/399581229.db2.gz OANWRXTVMUXRCH-UHFFFAOYSA-N 1 0 314.389 2.893 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@]2(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602809335 399583790 /nfs/dbraw/zinc/58/37/90/399583790.db2.gz AZWHQPGHGREJQW-KRWDZBQOSA-N 1 0 314.389 2.926 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000602807841 399583892 /nfs/dbraw/zinc/58/38/92/399583892.db2.gz WWTDSXQCAQICII-INIZCTEOSA-N 1 0 314.389 2.898 20 5 DFBDRO CCc1ccc([C@H](N[C@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423218583 296393778 /nfs/dbraw/zinc/39/37/78/296393778.db2.gz UXDMMCBLKKQPEB-SUMWQHHRSA-N 1 0 315.373 2.791 20 5 DFBDRO Cc1cnc([C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)s1 ZINC000602809466 399585178 /nfs/dbraw/zinc/58/51/78/399585178.db2.gz IWHUUKLJFBXZEZ-CYBMUJFWSA-N 1 0 321.406 2.606 20 5 DFBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602814607 399586524 /nfs/dbraw/zinc/58/65/24/399586524.db2.gz CBJBTYRVNNIDRR-CHWSQXEVSA-N 1 0 312.439 2.754 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000291781233 285186815 /nfs/dbraw/zinc/18/68/15/285186815.db2.gz CMCBUDPDQYHQEM-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000602820205 399588660 /nfs/dbraw/zinc/58/86/60/399588660.db2.gz YAOXZCCAZJMPQL-AWEZNQCLSA-N 1 0 316.405 2.971 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000423232867 296395308 /nfs/dbraw/zinc/39/53/08/296395308.db2.gz IWQJOVULYSMCAN-STQMWFEESA-N 1 0 309.435 2.807 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000602815557 399587256 /nfs/dbraw/zinc/58/72/56/399587256.db2.gz LQLOTRRPKHQPRZ-SNVBAGLBSA-N 1 0 320.315 2.763 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC1CCOCC1 ZINC000120346855 195148561 /nfs/dbraw/zinc/14/85/61/195148561.db2.gz VEWKZENPIBFBEA-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000294709492 224184765 /nfs/dbraw/zinc/18/47/65/224184765.db2.gz BVGXYAMQRXTZCY-UHFFFAOYSA-N 1 0 323.368 2.615 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602880280 399613457 /nfs/dbraw/zinc/61/34/57/399613457.db2.gz LADJYRLMJPUYCC-HNNXBMFYSA-N 1 0 302.334 2.534 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602888149 399615914 /nfs/dbraw/zinc/61/59/14/399615914.db2.gz LHVNSDCLPILJSD-DZGCQCFKSA-N 1 0 315.377 2.975 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000347956065 285268311 /nfs/dbraw/zinc/26/83/11/285268311.db2.gz BYNQDKCKVIAZLG-UHFFFAOYSA-N 1 0 311.407 2.699 20 5 DFBDRO O=C1CCCCN1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000120521326 195182894 /nfs/dbraw/zinc/18/28/94/195182894.db2.gz KSUCLNOMEUXOIL-UHFFFAOYSA-N 1 0 317.389 2.572 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890451 399617483 /nfs/dbraw/zinc/61/74/83/399617483.db2.gz ZUNRTDQWEKYTMI-LBPRGKRZSA-N 1 0 319.340 2.553 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000347994460 285288805 /nfs/dbraw/zinc/28/88/05/285288805.db2.gz WPGSGGPFWGRUGV-HNNXBMFYSA-N 1 0 319.405 2.760 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000330852182 533218906 /nfs/dbraw/zinc/21/89/06/533218906.db2.gz MERJASYWGHZSJG-HUUCEWRRSA-N 1 0 322.405 2.832 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000423641113 296435800 /nfs/dbraw/zinc/43/58/00/296435800.db2.gz WEHKLGRTKDDDGQ-ZDUSSCGKSA-N 1 0 305.378 2.555 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000423641110 296435856 /nfs/dbraw/zinc/43/58/56/296435856.db2.gz WEHKLGRTKDDDGQ-CYBMUJFWSA-N 1 0 305.378 2.555 20 5 DFBDRO CSC1CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602921894 399628102 /nfs/dbraw/zinc/62/81/02/399628102.db2.gz BTVJZDPHZNHANW-UHFFFAOYSA-N 1 0 323.418 2.751 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289676191 221146266 /nfs/dbraw/zinc/14/62/66/221146266.db2.gz CCGXGPDKHCNPQM-ROUUACIJSA-N 1 0 312.369 2.851 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000289674448 221146703 /nfs/dbraw/zinc/14/67/03/221146703.db2.gz NQJVAABGNXXUGE-XSIBGMEISA-N 1 0 302.374 2.758 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000289841940 221262321 /nfs/dbraw/zinc/26/23/21/221262321.db2.gz PWMGSUIIMSELRL-LLVKDONJSA-N 1 0 304.350 2.610 20 5 DFBDRO C[C@](CO)(NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602963693 399641387 /nfs/dbraw/zinc/64/13/87/399641387.db2.gz YMYSLEJYHPBADT-OAHLLOKOSA-N 1 0 321.764 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000602997251 399655170 /nfs/dbraw/zinc/65/51/70/399655170.db2.gz GIZLUFQMWQDKSR-ULQDDVLXSA-N 1 0 304.390 2.763 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCCn3nccc32)ccc1[N+](=O)[O-] ZINC000603028195 399660530 /nfs/dbraw/zinc/66/05/30/399660530.db2.gz BCESWACEOLSQFZ-CYBMUJFWSA-N 1 0 316.361 2.815 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000617322362 399661037 /nfs/dbraw/zinc/66/10/37/399661037.db2.gz MZGZDMCPJBVCII-LLVKDONJSA-N 1 0 324.402 2.693 20 5 DFBDRO CC(C)OCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000612593514 399683981 /nfs/dbraw/zinc/68/39/81/399683981.db2.gz LCMRTAJVGKWMKY-UHFFFAOYSA-N 1 0 304.293 2.711 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000294994930 224366549 /nfs/dbraw/zinc/36/65/49/224366549.db2.gz RARZYLGDARNDOE-CYBMUJFWSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000612823529 399731080 /nfs/dbraw/zinc/73/10/80/399731080.db2.gz GAOHRQSIHDQPTP-CYBMUJFWSA-N 1 0 307.350 2.623 20 5 DFBDRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000122038413 195393171 /nfs/dbraw/zinc/39/31/71/195393171.db2.gz OFLOLBQGOIIFSP-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1c(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000122761744 195498175 /nfs/dbraw/zinc/49/81/75/195498175.db2.gz UTKARGDQGDTGMU-HNNXBMFYSA-N 1 0 321.421 2.538 20 5 DFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299326490 533571048 /nfs/dbraw/zinc/57/10/48/533571048.db2.gz AISLJLQIMVLMMV-VIFPVBQESA-N 1 0 314.773 2.710 20 5 DFBDRO CC(C)C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603423467 399773331 /nfs/dbraw/zinc/77/33/31/399773331.db2.gz MKRAXPSHBQIKHH-LLVKDONJSA-N 1 0 318.320 2.693 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000366650164 131282446 /nfs/dbraw/zinc/28/24/46/131282446.db2.gz DTQDVQPPRDCUTN-DZGCQCFKSA-N 1 0 302.330 2.711 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]([C@H]4CCOC4)C3)nc2c1 ZINC000366654768 131305723 /nfs/dbraw/zinc/30/57/23/131305723.db2.gz MHZIXVPHQVOWLZ-RYUDHWBXSA-N 1 0 317.345 2.594 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000292435243 131650474 /nfs/dbraw/zinc/65/04/74/131650474.db2.gz MFLBXWVSHLQJRZ-QWHCGFSZSA-N 1 0 307.394 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3C4CCC3CC4)o2)cc1 ZINC000603661631 399797082 /nfs/dbraw/zinc/79/70/82/399797082.db2.gz JXPHKLPLMJCTRG-UHFFFAOYSA-N 1 0 300.318 2.772 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])Cc1ccccc1 ZINC000603839089 399807276 /nfs/dbraw/zinc/80/72/76/399807276.db2.gz PIWRQBCJNJUHSL-CQSZACIVSA-N 1 0 300.362 2.575 20 5 DFBDRO C[N@H+](CCOc1ccccc1)CCOc1ccccc1[N+](=O)[O-] ZINC000603839257 399807737 /nfs/dbraw/zinc/80/77/37/399807737.db2.gz IMAUZBMIRRHGTE-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000216077289 542875115 /nfs/dbraw/zinc/87/51/15/542875115.db2.gz IPUAJXSQOFKEOA-DTWKUNHWSA-N 1 0 303.284 2.787 20 5 DFBDRO COc1ccc(C[NH2+]C[C@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000292850722 533673292 /nfs/dbraw/zinc/67/32/92/533673292.db2.gz BVYJOGGFLQWSHC-MRXNPFEDSA-N 1 0 308.378 2.634 20 5 DFBDRO [NH3+]C1(c2noc(COc3ccc([N+](=O)[O-])cc3)n2)CCCCC1 ZINC000424336013 296503435 /nfs/dbraw/zinc/50/34/35/296503435.db2.gz IAJWSQCBMUQRCX-UHFFFAOYSA-N 1 0 318.333 2.675 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424376486 296505788 /nfs/dbraw/zinc/50/57/88/296505788.db2.gz PJUKXEYHEYVGAP-MRVWCRGKSA-N 1 0 307.394 2.914 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOCc2ccccc2)cc1 ZINC000309797328 543065655 /nfs/dbraw/zinc/06/56/55/543065655.db2.gz JCNAFZLYEJSOCZ-UHFFFAOYSA-N 1 0 300.358 2.944 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604539149 399854166 /nfs/dbraw/zinc/85/41/66/399854166.db2.gz OYCJZPGGNWQJHK-ZDUSSCGKSA-N 1 0 306.366 2.589 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)o1 ZINC000604553781 399855608 /nfs/dbraw/zinc/85/56/08/399855608.db2.gz DHGMZVQQGLWHEM-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000348320505 543184456 /nfs/dbraw/zinc/18/44/56/543184456.db2.gz LZEIITZGXZNFPV-UHFFFAOYSA-N 1 0 319.386 2.780 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000173043534 145330240 /nfs/dbraw/zinc/33/02/40/145330240.db2.gz GKCXUZULMKPYNA-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173255364 145338430 /nfs/dbraw/zinc/33/84/30/145338430.db2.gz PXKHXBPCCRPPTI-OAHLLOKOSA-N 1 0 317.389 2.589 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000174240753 145373577 /nfs/dbraw/zinc/37/35/77/145373577.db2.gz ZRHHRLPVEFKKEK-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2CCc2ccccc2)c1 ZINC000174823441 145392243 /nfs/dbraw/zinc/39/22/43/145392243.db2.gz RAICKNSBZVFKPN-INIZCTEOSA-N 1 0 314.389 2.889 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC2CC2)CC1 ZINC000175109290 145398465 /nfs/dbraw/zinc/39/84/65/145398465.db2.gz SJBSUYUGWBKHPD-UHFFFAOYSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)c1ccsc1 ZINC000349571634 285889668 /nfs/dbraw/zinc/88/96/68/285889668.db2.gz WKSBBQSGLZGAKZ-LYKUJDHUSA-N 1 0 304.371 2.993 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000232994224 146018090 /nfs/dbraw/zinc/01/80/90/146018090.db2.gz JYXIGGAXHXALFK-MRVPVSSYSA-N 1 0 317.187 2.682 20 5 DFBDRO CCCC[C@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236793275 146027726 /nfs/dbraw/zinc/02/77/26/146027726.db2.gz NEAKMYHJJHXEAU-HNNXBMFYSA-N 1 0 307.394 2.551 20 5 DFBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000237813022 146052827 /nfs/dbraw/zinc/05/28/27/146052827.db2.gz UNVGPMOAOFTDMF-UHFFFAOYSA-N 1 0 314.341 2.964 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCCC1 ZINC000237837000 146053511 /nfs/dbraw/zinc/05/35/11/146053511.db2.gz LDXKMKAMNOOIGT-UHFFFAOYSA-N 1 0 309.341 2.515 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccco2)C1 ZINC000245409428 146067424 /nfs/dbraw/zinc/06/74/24/146067424.db2.gz MHBNXWDXXGTIJZ-TZMCWYRMSA-N 1 0 304.350 2.858 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246440568 146139612 /nfs/dbraw/zinc/13/96/12/146139612.db2.gz NVXITMHGSGXKEP-BXUZGUMPSA-N 1 0 320.393 2.753 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246848447 146156593 /nfs/dbraw/zinc/15/65/93/146156593.db2.gz CMZAOAWIHNSBIY-SWLSCSKDSA-N 1 0 318.377 2.543 20 5 DFBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247796718 146170460 /nfs/dbraw/zinc/17/04/60/146170460.db2.gz ZSGMZDGXOXYUKO-WMLDXEAASA-N 1 0 314.389 2.917 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249977988 146210010 /nfs/dbraw/zinc/21/00/10/146210010.db2.gz YGRKUUMOUWQNFB-LZWOXQAQSA-N 1 0 306.362 2.651 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1c1ccccc1 ZINC000261611704 146246886 /nfs/dbraw/zinc/24/68/86/146246886.db2.gz BYLJYANXPLIDDI-DOTOQJQBSA-N 1 0 315.348 2.661 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c2ncccc12 ZINC000261827128 146284920 /nfs/dbraw/zinc/28/49/20/146284920.db2.gz BGCIGAHGBSOPSA-GFCCVEGCSA-N 1 0 300.362 2.945 20 5 DFBDRO COc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261849622 146288624 /nfs/dbraw/zinc/28/86/24/146288624.db2.gz JHCXLPBKHCHMAW-OAHLLOKOSA-N 1 0 313.357 2.902 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261927880 146304041 /nfs/dbraw/zinc/30/40/41/146304041.db2.gz CISICRYIMGAHSY-UHFFFAOYSA-N 1 0 309.797 2.824 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261935959 146305782 /nfs/dbraw/zinc/30/57/82/146305782.db2.gz UBQGTYGXNCTKBZ-UHFFFAOYSA-N 1 0 318.377 2.592 20 5 DFBDRO Cc1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1 ZINC000261957896 146310376 /nfs/dbraw/zinc/31/03/76/146310376.db2.gz XHIGIKGXBRTBBG-INIZCTEOSA-N 1 0 317.389 2.507 20 5 DFBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261982001 146315973 /nfs/dbraw/zinc/31/59/73/146315973.db2.gz AMYSBPHXNLCVSI-CYBMUJFWSA-N 1 0 301.321 2.624 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000262035201 146325312 /nfs/dbraw/zinc/32/53/12/146325312.db2.gz ZMELICRYVFBBCA-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000262045968 146327566 /nfs/dbraw/zinc/32/75/66/146327566.db2.gz CJFQRIZKXLQOOH-OWCLPIDISA-N 1 0 303.406 2.995 20 5 DFBDRO C[C@@]1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCC[NH2+]C1 ZINC000262086958 146332048 /nfs/dbraw/zinc/33/20/48/146332048.db2.gz HPMJIQZIWYDSBR-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC[NH2+]1 ZINC000262675030 146381978 /nfs/dbraw/zinc/38/19/78/146381978.db2.gz STLGNUHOTCILOW-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000354355987 147006245 /nfs/dbraw/zinc/00/62/45/147006245.db2.gz ZCIYABFXOKODJR-WDEREUQCSA-N 1 0 323.422 2.613 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000354375585 147014582 /nfs/dbraw/zinc/01/45/82/147014582.db2.gz BQFLKBKKEAUDJS-OAHLLOKOSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354419554 147030255 /nfs/dbraw/zinc/03/02/55/147030255.db2.gz XJQPBNHFHLLQBE-OAHLLOKOSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354454058 147043452 /nfs/dbraw/zinc/04/34/52/147043452.db2.gz XQKVPQGJNZJHRB-CQSZACIVSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508426 147062691 /nfs/dbraw/zinc/06/26/91/147062691.db2.gz NLCQFKJSHGVBGV-OCCSQVGLSA-N 1 0 313.361 2.632 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000354564407 147080405 /nfs/dbraw/zinc/08/04/05/147080405.db2.gz KMJSVLQDSJDBHA-CYBMUJFWSA-N 1 0 323.441 2.957 20 5 DFBDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000354833552 147168819 /nfs/dbraw/zinc/16/88/19/147168819.db2.gz ODVNUZGNVMPANW-NWDGAFQWSA-N 1 0 318.352 2.938 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354834134 147170210 /nfs/dbraw/zinc/17/02/10/147170210.db2.gz ZIDCBLLSMHTGJP-INIZCTEOSA-N 1 0 319.405 2.646 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CCCSC1 ZINC000355472296 147329808 /nfs/dbraw/zinc/32/98/08/147329808.db2.gz NCEQJAPSYZUDIQ-OAHLLOKOSA-N 1 0 310.419 2.593 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000355607083 147381546 /nfs/dbraw/zinc/38/15/46/147381546.db2.gz MNZBNXINRNNFPX-UHFFFAOYSA-N 1 0 307.369 2.840 20 5 DFBDRO CSC1(CNc2ncc(C)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357573121 148042738 /nfs/dbraw/zinc/04/27/38/148042738.db2.gz VFOUUIUGPZLFAO-UHFFFAOYSA-N 1 0 310.423 2.538 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000358169878 148270114 /nfs/dbraw/zinc/27/01/14/148270114.db2.gz DKYNBUCABVGNPJ-HIFPTAJRSA-N 1 0 305.378 2.598 20 5 DFBDRO Cc1ccccc1C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000358270730 148313931 /nfs/dbraw/zinc/31/39/31/148313931.db2.gz FHGWHHKSQHWOGT-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358347456 148336624 /nfs/dbraw/zinc/33/66/24/148336624.db2.gz BIRLTMXQPMDRPK-ONGXEEELSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358347453 148337093 /nfs/dbraw/zinc/33/70/93/148337093.db2.gz BIRLTMXQPMDRPK-GXSJLCMTSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1cc(Cc2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263841 149069889 /nfs/dbraw/zinc/06/98/89/149069889.db2.gz WEWJQEXFKCEDMR-WCQYABFASA-N 1 0 316.361 2.542 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCCCC[C@@H]32)c1 ZINC000361343156 149090262 /nfs/dbraw/zinc/09/02/62/149090262.db2.gz VBSLSAWTSZFYAP-UNEWFSDZSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000361443812 149116822 /nfs/dbraw/zinc/11/68/22/149116822.db2.gz FSGVSSLOVCGGRO-MRXNPFEDSA-N 1 0 320.389 2.673 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000361661703 149185502 /nfs/dbraw/zinc/18/55/02/149185502.db2.gz OGRWJAIURZQBTD-TZMCWYRMSA-N 1 0 316.357 2.915 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000361724897 149201400 /nfs/dbraw/zinc/20/14/00/149201400.db2.gz BLJDPXIXNUVWDN-GOSISDBHSA-N 1 0 314.385 2.926 20 5 DFBDRO Cc1c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368839657 149706307 /nfs/dbraw/zinc/70/63/07/149706307.db2.gz XOJHNVUHACMHBW-MAZHCROVSA-N 1 0 317.389 2.522 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000351503164 286137783 /nfs/dbraw/zinc/13/77/83/286137783.db2.gz OXFBENFOXGYQIP-HYOAPIGFSA-N 1 0 306.362 2.785 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000371546296 150062625 /nfs/dbraw/zinc/06/26/25/150062625.db2.gz ZICHPSAXRDKMCH-DVJJNNKXSA-N 1 0 301.390 2.634 20 5 DFBDRO CO[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000371733282 150088095 /nfs/dbraw/zinc/08/80/95/150088095.db2.gz BLAREAQBPSEFLC-OAHLLOKOSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000351602867 286166091 /nfs/dbraw/zinc/16/60/91/286166091.db2.gz JCKKTEADNZIMMX-MNOVXSKESA-N 1 0 324.356 2.680 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351603538 286166506 /nfs/dbraw/zinc/16/65/06/286166506.db2.gz AWRIWQSZLHQXSZ-CQSZACIVSA-N 1 0 324.356 2.538 20 5 DFBDRO CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372998088 150214259 /nfs/dbraw/zinc/21/42/59/150214259.db2.gz OTQHWHQQYIWIAG-HOCLYGCPSA-N 1 0 324.425 2.760 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000373784294 150257352 /nfs/dbraw/zinc/25/73/52/150257352.db2.gz XGBBLMPCFDDOTQ-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO C[N@H+](C[C@H]1CC12CCN(c1ncc([N+](=O)[O-])s1)CC2)C1CC1 ZINC000374423887 150365243 /nfs/dbraw/zinc/36/52/43/150365243.db2.gz OIFJUEJOROOKCI-LLVKDONJSA-N 1 0 322.434 2.752 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H](CC2CCCC2)C1 ZINC000375257370 150418871 /nfs/dbraw/zinc/41/88/71/150418871.db2.gz YBAKPGJRGITRBS-HNNXBMFYSA-N 1 0 319.405 2.659 20 5 DFBDRO Cc1sc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc1[N+](=O)[O-] ZINC000375260921 150419336 /nfs/dbraw/zinc/41/93/36/150419336.db2.gz TWRBAYNOMPWFLA-UHFFFAOYSA-N 1 0 323.418 2.571 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000351748333 286209265 /nfs/dbraw/zinc/20/92/65/286209265.db2.gz HMUMBPCPYWLJCW-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO COc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC2)cc1 ZINC000176200369 286359054 /nfs/dbraw/zinc/35/90/54/286359054.db2.gz JHYJQAKYEKVRON-INIZCTEOSA-N 1 0 316.361 2.541 20 5 DFBDRO COc1cc(C[N@H+](C)[C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352417082 286368152 /nfs/dbraw/zinc/36/81/52/286368152.db2.gz MRIHVYRJVMPLIQ-MRXNPFEDSA-N 1 0 316.357 2.769 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287224955 292292549 /nfs/dbraw/zinc/29/25/49/292292549.db2.gz QIOVWMPETNBPIU-XJKSGUPXSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000182657326 292294919 /nfs/dbraw/zinc/29/49/19/292294919.db2.gz PMKNCLFLGLHCHK-CYBMUJFWSA-N 1 0 306.362 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372616185 292295030 /nfs/dbraw/zinc/29/50/30/292295030.db2.gz CQJYEFDFMFFQKL-MLGOLLRUSA-N 1 0 319.361 2.539 20 5 DFBDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352795599 286470152 /nfs/dbraw/zinc/47/01/52/286470152.db2.gz DSMBVSJQKVTWPQ-HIFRSBDPSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(CO)C(C)C ZINC000352884239 286493406 /nfs/dbraw/zinc/49/34/06/286493406.db2.gz QLUJINOBHCQHJC-MRXNPFEDSA-N 1 0 310.394 2.879 20 5 DFBDRO Cc1c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000247282823 158127597 /nfs/dbraw/zinc/12/75/97/158127597.db2.gz SYCLCVSUYHAYJI-CABCVRRESA-N 1 0 308.403 2.610 20 5 DFBDRO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247412156 158133833 /nfs/dbraw/zinc/13/38/33/158133833.db2.gz ZHFPIUVZHBFZRX-OCCSQVGLSA-N 1 0 318.377 2.604 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000247697700 158148657 /nfs/dbraw/zinc/14/86/57/158148657.db2.gz WZOPBUCKRZHSEG-ZFWWWQNUSA-N 1 0 318.377 2.685 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248325496 158166851 /nfs/dbraw/zinc/16/68/51/158166851.db2.gz BHODFJLEBQVEQR-DZGCQCFKSA-N 1 0 310.394 2.703 20 5 DFBDRO C[NH+]1CCC2(CCCN2Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355040662 158259612 /nfs/dbraw/zinc/25/96/12/158259612.db2.gz PZAVAEXDZXGOAM-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000355133394 158281882 /nfs/dbraw/zinc/28/18/82/158281882.db2.gz LVXCHZGFCNTZRV-CZUORRHYSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C1CCC1 ZINC000357029430 158351832 /nfs/dbraw/zinc/35/18/32/158351832.db2.gz DAFGREWNZBROGC-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C1C[NH2+]C1 ZINC000357046945 158357155 /nfs/dbraw/zinc/35/71/55/158357155.db2.gz ITXSUMGWJAWPQB-UHFFFAOYSA-N 1 0 303.387 2.727 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000358297943 158370260 /nfs/dbraw/zinc/37/02/60/158370260.db2.gz DEOYBKNTZUKUEH-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO CCOc1cc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000358678633 158399160 /nfs/dbraw/zinc/39/91/60/158399160.db2.gz MCYCCJHXKZXEEZ-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279653866 287151955 /nfs/dbraw/zinc/15/19/55/287151955.db2.gz BWWBTUVYARSPRV-ZNMIVQPWSA-N 1 0 321.421 2.697 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408171469 287231888 /nfs/dbraw/zinc/23/18/88/287231888.db2.gz JZAYLAYODJFHIT-KGLIPLIRSA-N 1 0 304.394 2.670 20 5 DFBDRO [NH3+][C@@H](CNc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000129327308 196040161 /nfs/dbraw/zinc/04/01/61/196040161.db2.gz BOLDELFUAMNJAE-JTQLQIEISA-N 1 0 300.156 2.507 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053304168 425887536 /nfs/dbraw/zinc/88/75/36/425887536.db2.gz UGCTXQXEDILIKQ-TXEJJXNPSA-N 1 0 323.393 2.674 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000130575178 196092574 /nfs/dbraw/zinc/09/25/74/196092574.db2.gz LIYPHSFAMVOYCK-VIFPVBQESA-N 1 0 317.187 2.682 20 5 DFBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000132084977 196225232 /nfs/dbraw/zinc/22/52/32/196225232.db2.gz ZKJGAUZKEFBADT-IINYFYTJSA-N 1 0 319.386 2.985 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000132957175 196299479 /nfs/dbraw/zinc/29/94/79/196299479.db2.gz URZKJIQWSYUREV-IAGOWNOFSA-N 1 0 319.405 2.775 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054676273 425891200 /nfs/dbraw/zinc/89/12/00/425891200.db2.gz IFFPCUBBODPDEX-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO Cc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])c(C[NH+](C)C)c1 ZINC000295293388 224670663 /nfs/dbraw/zinc/67/06/63/224670663.db2.gz QKSGJEQMZJLGPQ-UHFFFAOYSA-N 1 0 307.394 2.831 20 5 DFBDRO Cc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338385 227028138 /nfs/dbraw/zinc/02/81/38/227028138.db2.gz ASGODLPKLOLYHU-UKRRQHHQSA-N 1 0 313.361 2.551 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291387214 222358796 /nfs/dbraw/zinc/35/87/96/222358796.db2.gz BCTMFHCVVYHFRE-NEPJUHHUSA-N 1 0 314.332 2.914 20 5 DFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299391845 229094075 /nfs/dbraw/zinc/09/40/75/229094075.db2.gz RLKDJYOVAHCRMO-GXTWGEPZSA-N 1 0 320.345 2.621 20 5 DFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000055748347 425894797 /nfs/dbraw/zinc/89/47/97/425894797.db2.gz PHHOUFPXBBJDKU-HZSPNIEDSA-N 1 0 319.405 2.691 20 5 DFBDRO Cc1cccc(C(=O)NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000067265242 425909484 /nfs/dbraw/zinc/90/94/84/425909484.db2.gz TWEGDMGNXNJMQA-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000067264682 425909631 /nfs/dbraw/zinc/90/96/31/425909631.db2.gz JYFLVNNCWGIAMC-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000068526145 425918651 /nfs/dbraw/zinc/91/86/51/425918651.db2.gz LYGURTWCJPZSPI-GFCCVEGCSA-N 1 0 321.377 2.715 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000069045847 425927646 /nfs/dbraw/zinc/92/76/46/425927646.db2.gz KYSSKGVPLQFHKR-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811854 425652706 /nfs/dbraw/zinc/65/27/06/425652706.db2.gz VMMKOLCYTJEOMQ-VXGBXAGGSA-N 1 0 305.378 2.820 20 5 DFBDRO CCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000026161893 425810310 /nfs/dbraw/zinc/81/03/10/425810310.db2.gz QDMPKFOZILDZLF-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO CC[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000030144994 425830498 /nfs/dbraw/zinc/83/04/98/425830498.db2.gz CLGHRKFVFOROJM-CYBMUJFWSA-N 1 0 317.389 2.606 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000037647811 425848815 /nfs/dbraw/zinc/84/88/15/425848815.db2.gz HEWRIKWKJDRCCY-VIFPVBQESA-N 1 0 303.284 2.977 20 5 DFBDRO O=C1CCCN1CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192613345 268043699 /nfs/dbraw/zinc/04/36/99/268043699.db2.gz GOWPJPMEPGYYKG-MRXNPFEDSA-N 1 0 317.389 2.574 20 5 DFBDRO C[N@H+](CCSCCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000193614884 268074278 /nfs/dbraw/zinc/07/42/78/268074278.db2.gz JENAWWSMBFTXES-UHFFFAOYSA-N 1 0 320.418 2.657 20 5 DFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000229842541 268145379 /nfs/dbraw/zinc/14/53/79/268145379.db2.gz RFYRPEDUJPNKNF-UHFFFAOYSA-N 1 0 321.377 2.740 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000237895329 268161573 /nfs/dbraw/zinc/16/15/73/268161573.db2.gz UUHFDVOSSOBRTK-HUUCEWRRSA-N 1 0 305.378 2.509 20 5 DFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000245447896 268164155 /nfs/dbraw/zinc/16/41/55/268164155.db2.gz MLTQJZAWPVPEJZ-GXTWGEPZSA-N 1 0 303.362 2.798 20 5 DFBDRO CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1O ZINC000270861851 268228021 /nfs/dbraw/zinc/22/80/21/268228021.db2.gz IFURDXLXIJWDGS-WFASDCNBSA-N 1 0 308.378 2.585 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000272179924 268250631 /nfs/dbraw/zinc/25/06/31/268250631.db2.gz SFSFYKBZNWCGMH-GFCCVEGCSA-N 1 0 320.393 2.789 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000274521414 268257468 /nfs/dbraw/zinc/25/74/68/268257468.db2.gz SGKHCKUZLGIEJX-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000279700416 268269568 /nfs/dbraw/zinc/26/95/68/268269568.db2.gz OTDAPDWLYDBVBW-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CC(=O)c1cc(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000283570344 268272810 /nfs/dbraw/zinc/27/28/10/268272810.db2.gz OBOCLFUQGSXGSF-GFCCVEGCSA-N 1 0 305.378 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000296260215 268301205 /nfs/dbraw/zinc/30/12/05/268301205.db2.gz OCFUQCCOJJFJNM-YUELXQCFSA-N 1 0 306.337 2.781 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000305720105 268333215 /nfs/dbraw/zinc/33/32/15/268333215.db2.gz AFEPEWOGPQKYNB-CORIIIEPSA-N 1 0 308.378 2.805 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000319367201 268346454 /nfs/dbraw/zinc/34/64/54/268346454.db2.gz PJGVSCUSUCPDMA-HNNXBMFYSA-N 1 0 305.378 2.509 20 5 DFBDRO [NH3+]C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000322919034 268349787 /nfs/dbraw/zinc/34/97/87/268349787.db2.gz LMYQRUDBLFDIST-WOLCWHLNSA-N 1 0 317.389 2.632 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCCO)CC(C)(C)C ZINC000106934573 425980837 /nfs/dbraw/zinc/98/08/37/425980837.db2.gz CKVUHQUWRGUIIR-UHFFFAOYSA-N 1 0 310.394 2.834 20 5 DFBDRO Cc1cc(N[C@H](C)CC[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000336667474 268431894 /nfs/dbraw/zinc/43/18/94/268431894.db2.gz ABZUIZORUHYPSJ-MRVPVSSYSA-N 1 0 302.172 2.815 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000125022457 425949757 /nfs/dbraw/zinc/94/97/57/425949757.db2.gz XZENLSDWSCSRRR-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125179239 425957168 /nfs/dbraw/zinc/95/71/68/425957168.db2.gz DZMMBPBCNIMVDC-RYUDHWBXSA-N 1 0 305.378 2.704 20 5 DFBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000125378799 425968528 /nfs/dbraw/zinc/96/85/28/425968528.db2.gz FPERUASGRBZQFB-UHFFFAOYSA-N 1 0 301.346 2.891 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000106469339 425973682 /nfs/dbraw/zinc/97/36/82/425973682.db2.gz KXHBEFGMEAUMIB-OAHLLOKOSA-N 1 0 308.378 2.634 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000126496002 426022833 /nfs/dbraw/zinc/02/28/33/426022833.db2.gz PCFQLELGLVLWES-GXTWGEPZSA-N 1 0 305.378 2.565 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+](CCO)C2CCCCC2)cc1 ZINC000111303434 426045622 /nfs/dbraw/zinc/04/56/22/426045622.db2.gz LQPXHBYJUBDERC-UHFFFAOYSA-N 1 0 308.378 2.601 20 5 DFBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162508443 426067697 /nfs/dbraw/zinc/06/76/97/426067697.db2.gz IKIZPLQZFBFGHU-HUUCEWRRSA-N 1 0 307.394 2.561 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000127496406 426069416 /nfs/dbraw/zinc/06/94/16/426069416.db2.gz CKBONZFBDVZPCM-UHFFFAOYSA-N 1 0 311.407 2.699 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000072064210 426009516 /nfs/dbraw/zinc/00/95/16/426009516.db2.gz PVUVFUQWMPRSAV-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000072064457 426009742 /nfs/dbraw/zinc/00/97/42/426009742.db2.gz GDQLAVDCHAGHSC-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000072492051 426017124 /nfs/dbraw/zinc/01/71/24/426017124.db2.gz WXSXQRBBKHQNJD-CYBMUJFWSA-N 1 0 305.378 2.901 20 5 DFBDRO CC[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CC1 ZINC000112983077 426100509 /nfs/dbraw/zinc/10/05/09/426100509.db2.gz JJTVQMFISUXNPO-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000076481744 426112663 /nfs/dbraw/zinc/11/26/63/426112663.db2.gz SXANSGQWDKODLL-DOMZBBRYSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168303528 426134521 /nfs/dbraw/zinc/13/45/21/426134521.db2.gz XCJBOZQVLHYTDY-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114459897 426135663 /nfs/dbraw/zinc/13/56/63/426135663.db2.gz JIUPHKUQLHBXOZ-CVEARBPZSA-N 1 0 308.378 2.599 20 5 DFBDRO CC(C)C1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075833467 426085941 /nfs/dbraw/zinc/08/59/41/426085941.db2.gz CSZVZNHEVKJJRU-INIZCTEOSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000130262415 426151887 /nfs/dbraw/zinc/15/18/87/426151887.db2.gz OSELUDRVFYCBFK-CJNGLKHVSA-N 1 0 300.358 2.849 20 5 DFBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130287754 426153989 /nfs/dbraw/zinc/15/39/89/426153989.db2.gz PECIRQVZGJRXKR-CQSZACIVSA-N 1 0 305.378 2.704 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000131168069 426164202 /nfs/dbraw/zinc/16/42/02/426164202.db2.gz WUJSOTQAMVMIPE-ZDUSSCGKSA-N 1 0 319.405 2.846 20 5 DFBDRO CCCC[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000078344324 426165649 /nfs/dbraw/zinc/16/56/49/426165649.db2.gz MHPSFYODPOCDMQ-UHFFFAOYSA-N 1 0 305.378 2.606 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133750735 426183284 /nfs/dbraw/zinc/18/32/84/426183284.db2.gz UPXHWHOECCJUAG-MFKMUULPSA-N 1 0 310.785 2.564 20 5 DFBDRO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000174997313 426273812 /nfs/dbraw/zinc/27/38/12/426273812.db2.gz JMKRGMYWGPVHLB-WFASDCNBSA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000173437333 426240148 /nfs/dbraw/zinc/24/01/48/426240148.db2.gz JXQOZGPLJSBWFJ-UONOGXRCSA-N 1 0 308.378 2.689 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175016484 426275057 /nfs/dbraw/zinc/27/50/57/426275057.db2.gz LVYXRWHHYYBOIY-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000174972380 426271910 /nfs/dbraw/zinc/27/19/10/426271910.db2.gz QMDXIWXNPUTILG-LSDHHAIUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000117337556 426211576 /nfs/dbraw/zinc/21/15/76/426211576.db2.gz ZJFDFSDCBVNICO-UHFFFAOYSA-N 1 0 307.350 2.623 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171812436 426213902 /nfs/dbraw/zinc/21/39/02/426213902.db2.gz LWDZONOOYAOVPR-AWEZNQCLSA-N 1 0 306.366 2.591 20 5 DFBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512385 426294106 /nfs/dbraw/zinc/29/41/06/426294106.db2.gz VLJTXBRNDLPACS-INIZCTEOSA-N 1 0 300.358 2.942 20 5 DFBDRO CCC[C@H]([NH2+]CCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000089517651 426295357 /nfs/dbraw/zinc/29/53/57/426295357.db2.gz OYTIVOQOSJREEV-AWEZNQCLSA-N 1 0 304.350 2.960 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)cc1[N+](=O)[O-] ZINC000151430084 426295607 /nfs/dbraw/zinc/29/56/07/426295607.db2.gz QSSIMUAKAUKXHQ-HIFRSBDPSA-N 1 0 310.394 2.587 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000151569900 426302028 /nfs/dbraw/zinc/30/20/28/426302028.db2.gz AEZOOLWMIRXRFM-UHFFFAOYSA-N 1 0 319.405 2.516 20 5 DFBDRO CCOC(=O)c1cc(NCC(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000120989213 426318689 /nfs/dbraw/zinc/31/86/89/426318689.db2.gz FJCIUIDFWHSTLM-UHFFFAOYSA-N 1 0 323.393 2.771 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000121209711 426324160 /nfs/dbraw/zinc/32/41/60/426324160.db2.gz ZMCHZKGGRHNQKM-CYBMUJFWSA-N 1 0 313.357 2.908 20 5 DFBDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000091099514 426340485 /nfs/dbraw/zinc/34/04/85/426340485.db2.gz ICUPOAACEPZUKK-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO CCC(C)(C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565344 426327226 /nfs/dbraw/zinc/32/72/26/426327226.db2.gz CIPDCSXPDYZPFJ-AWEZNQCLSA-N 1 0 307.394 2.657 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000175152178 426282362 /nfs/dbraw/zinc/28/23/62/426282362.db2.gz YGYKZYAWIZAVQD-AWEZNQCLSA-N 1 0 321.421 2.909 20 5 DFBDRO CC(C)C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000119363020 426283028 /nfs/dbraw/zinc/28/30/28/426283028.db2.gz QGKLKMCSWWOVCF-CYBMUJFWSA-N 1 0 319.405 2.952 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175162171 426283708 /nfs/dbraw/zinc/28/37/08/426283708.db2.gz GGFABZMVMBWRTG-TZMCWYRMSA-N 1 0 306.366 2.589 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175162182 426283974 /nfs/dbraw/zinc/28/39/74/426283974.db2.gz GGFABZMVMBWRTG-OCCSQVGLSA-N 1 0 306.366 2.589 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000153725447 426401387 /nfs/dbraw/zinc/40/13/87/426401387.db2.gz NRIVVAJKTFLDPX-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000153760670 426405015 /nfs/dbraw/zinc/40/50/15/426405015.db2.gz CQOYLDIXXYDVDV-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO CCN(CC)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152771956 426353134 /nfs/dbraw/zinc/35/31/34/426353134.db2.gz CHSFKMZSGNBTNL-INIZCTEOSA-N 1 0 305.422 2.847 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000152943308 426362871 /nfs/dbraw/zinc/36/28/71/426362871.db2.gz SUOWITPHFVLQIR-UHFFFAOYSA-N 1 0 315.373 2.933 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000153209803 426376482 /nfs/dbraw/zinc/37/64/82/426376482.db2.gz CZKSWXFZPYNAJW-GXTWGEPZSA-N 1 0 307.394 2.738 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228761 426377201 /nfs/dbraw/zinc/37/72/01/426377201.db2.gz XESQUOYCXARSTK-HIFRSBDPSA-N 1 0 321.421 2.522 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH+]3C[C@@H]4CCC[C@H]4C3)o2)cc1 ZINC000153228415 426377370 /nfs/dbraw/zinc/37/73/70/426377370.db2.gz DBIUTJVNJGBNAD-STQMWFEESA-N 1 0 314.345 2.877 20 5 DFBDRO C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000123000033 426408453 /nfs/dbraw/zinc/40/84/53/426408453.db2.gz ANOPXALESQJDGC-STQMWFEESA-N 1 0 305.378 2.901 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123138441 426416582 /nfs/dbraw/zinc/41/65/82/426416582.db2.gz GEEVTGMSUZYELA-OAHLLOKOSA-N 1 0 320.320 2.566 20 5 DFBDRO Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)cccc1[N+](=O)[O-] ZINC000176903279 426423125 /nfs/dbraw/zinc/42/31/25/426423125.db2.gz VQUFPBFUOPVUGV-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177032998 426436860 /nfs/dbraw/zinc/43/68/60/426436860.db2.gz MCVMYBNYAREJNN-ONGXEEELSA-N 1 0 323.780 2.603 20 5 DFBDRO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000177084052 426443256 /nfs/dbraw/zinc/44/32/56/426443256.db2.gz ZHFPIUVZHBFZRX-GXTWGEPZSA-N 1 0 318.377 2.604 20 5 DFBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ccncc3[N+](=O)[O-])cccc21 ZINC000340860784 269023639 /nfs/dbraw/zinc/02/36/39/269023639.db2.gz CPJOPIXPOJRGOI-AWEZNQCLSA-N 1 0 314.345 2.541 20 5 DFBDRO C[C@@H]1C[NH+](CCCNc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000341419251 269074914 /nfs/dbraw/zinc/07/49/14/269074914.db2.gz OPSUIVWUNLFPNG-VXGBXAGGSA-N 1 0 311.357 2.645 20 5 DFBDRO Cc1csc(C2([NH2+]CCn3ccc([N+](=O)[O-])n3)CCCC2)n1 ZINC000177170620 426449675 /nfs/dbraw/zinc/44/96/75/426449675.db2.gz RTRSRMOAMBDKQD-UHFFFAOYSA-N 1 0 321.406 2.615 20 5 DFBDRO Cc1ccnc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c1[N+](=O)[O-] ZINC000154900679 426458875 /nfs/dbraw/zinc/45/88/75/426458875.db2.gz IZZQBRBBPKLQAB-CYBMUJFWSA-N 1 0 304.394 2.751 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000177278574 426463113 /nfs/dbraw/zinc/46/31/13/426463113.db2.gz IFXBMTFNKVFBLM-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO C[N@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C1CCCC1 ZINC000288145427 426512141 /nfs/dbraw/zinc/51/21/41/426512141.db2.gz YYVXDDOYBLXXCL-UHFFFAOYSA-N 1 0 321.406 2.886 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288261391 426516508 /nfs/dbraw/zinc/51/65/08/426516508.db2.gz GNEVXLXPHIQLIQ-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000186394383 426519776 /nfs/dbraw/zinc/51/97/76/426519776.db2.gz OIHBZLRZQKWXGU-JKSUJKDBSA-N 1 0 320.389 2.659 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000264324098 426536514 /nfs/dbraw/zinc/53/65/14/426536514.db2.gz AITSUBXTYRYDEC-CYBMUJFWSA-N 1 0 317.345 2.507 20 5 DFBDRO CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000186578378 426555133 /nfs/dbraw/zinc/55/51/33/426555133.db2.gz KZACWYUZRFFPAJ-NVXWUHKLSA-N 1 0 322.405 2.559 20 5 DFBDRO CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000186578343 426555407 /nfs/dbraw/zinc/55/54/07/426555407.db2.gz KZACWYUZRFFPAJ-WBVHZDCISA-N 1 0 322.405 2.559 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177584786 426497281 /nfs/dbraw/zinc/49/72/81/426497281.db2.gz HHSYEWGCPHEHOD-OLZOCXBDSA-N 1 0 305.378 2.506 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000186295447 426501541 /nfs/dbraw/zinc/50/15/41/426501541.db2.gz LPAVMKMIRVIAIV-JKSUJKDBSA-N 1 0 320.389 2.659 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000221644431 426579046 /nfs/dbraw/zinc/57/90/46/426579046.db2.gz WBUBIOVMHBYDDR-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO CCc1ccc(Oc2ncnc3c2C[N@H+](C)CC3)c([N+](=O)[O-])c1 ZINC000265167815 426590163 /nfs/dbraw/zinc/59/01/63/426590163.db2.gz ANNOOMPDGGOHNR-UHFFFAOYSA-N 1 0 314.345 2.727 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000280528431 426592549 /nfs/dbraw/zinc/59/25/49/426592549.db2.gz SFOYJZDRAWGKAV-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000280548311 426598770 /nfs/dbraw/zinc/59/87/70/426598770.db2.gz UCXHAAJKCKYUEY-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000280601626 426610487 /nfs/dbraw/zinc/61/04/87/426610487.db2.gz YGZGPIJFOALAPR-ZQIUZPCESA-N 1 0 320.389 2.672 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](O)CCc2ccccc2)cs1 ZINC000273193200 426613581 /nfs/dbraw/zinc/61/35/81/426613581.db2.gz ZMZXNVYRCLBMRQ-CQSZACIVSA-N 1 0 306.387 2.740 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000178361259 426613760 /nfs/dbraw/zinc/61/37/60/426613760.db2.gz IDKQAGUCMBUPOP-ZDUSSCGKSA-N 1 0 308.378 2.850 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178376320 426618185 /nfs/dbraw/zinc/61/81/85/426618185.db2.gz AGUMHNNFPPLPRL-HZPDHXFCSA-N 1 0 310.394 2.813 20 5 DFBDRO CC1=CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000280706585 426638942 /nfs/dbraw/zinc/63/89/42/426638942.db2.gz CZWGAPZECCHHQE-UHFFFAOYSA-N 1 0 307.325 2.715 20 5 DFBDRO COC(=O)[C@H](C)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000280758891 426649952 /nfs/dbraw/zinc/64/99/52/426649952.db2.gz FGEGGEZKWJVOCP-NSHDSACASA-N 1 0 318.329 2.848 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000273440023 426665107 /nfs/dbraw/zinc/66/51/07/426665107.db2.gz WGUGQJOVMGJVKG-INIZCTEOSA-N 1 0 318.348 2.736 20 5 DFBDRO CC[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+](CC)CC ZINC000265641556 426666338 /nfs/dbraw/zinc/66/63/38/426666338.db2.gz UBJFWXFVTFEPHG-ZDUSSCGKSA-N 1 0 305.378 2.604 20 5 DFBDRO CC[C@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+](CC)CC ZINC000265641555 426666849 /nfs/dbraw/zinc/66/68/49/426666849.db2.gz UBJFWXFVTFEPHG-CYBMUJFWSA-N 1 0 305.378 2.604 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CC3(C2)CCCCC3)c1 ZINC000273462203 426669727 /nfs/dbraw/zinc/66/97/27/426669727.db2.gz BPCKBEZURPCBDX-HNNXBMFYSA-N 1 0 320.389 2.601 20 5 DFBDRO CC(C)(NC(=O)CCCCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000236653214 426670335 /nfs/dbraw/zinc/67/03/35/426670335.db2.gz HRMBFORTKQRDRM-UHFFFAOYSA-N 1 0 307.394 2.855 20 5 DFBDRO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000280886317 426677389 /nfs/dbraw/zinc/67/73/89/426677389.db2.gz FBLIZHFHHDIOKM-ZDUSSCGKSA-N 1 0 321.377 2.715 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000273245966 426626433 /nfs/dbraw/zinc/62/64/33/426626433.db2.gz ZQJLDQDKCMTUDF-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO CC[NH+]1CCC(NC(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273253663 426627460 /nfs/dbraw/zinc/62/74/60/426627460.db2.gz CPQIZUFWLUVRMU-OUKQBFOZSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)(C)OC(=O)NC(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000227601809 426627940 /nfs/dbraw/zinc/62/79/40/426627940.db2.gz VMRRKMFFOQTNQS-UHFFFAOYSA-N 1 0 323.393 2.988 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000266125681 426722463 /nfs/dbraw/zinc/72/24/63/426722463.db2.gz PYMUGOWXTRVSMH-STQMWFEESA-N 1 0 300.362 2.879 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265806537 426694277 /nfs/dbraw/zinc/69/42/77/426694277.db2.gz OIVDKSDLLYRIPC-UHFFFAOYSA-N 1 0 321.421 2.576 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000281513119 426721863 /nfs/dbraw/zinc/72/18/63/426721863.db2.gz PSKUEKRQAUEZSJ-LRDDRELGSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000281148730 426701785 /nfs/dbraw/zinc/70/17/85/426701785.db2.gz ATCZPSRHVLUDPT-LRDDRELGSA-N 1 0 317.389 2.573 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273647772 426702323 /nfs/dbraw/zinc/70/23/23/426702323.db2.gz UAFWYQUUKBGWCL-OAHLLOKOSA-N 1 0 315.377 2.880 20 5 DFBDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc([N+](=O)[O-])c1 ZINC000274449211 426771050 /nfs/dbraw/zinc/77/10/50/426771050.db2.gz YPOIVENPCVKYDP-NSHDSACASA-N 1 0 318.402 2.790 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266776206 426777475 /nfs/dbraw/zinc/77/74/75/426777475.db2.gz LQQSVDVAKSBCAV-CFVMTHIKSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000274520333 426785125 /nfs/dbraw/zinc/78/51/25/426785125.db2.gz SBCHRSWOABVHCZ-HNNXBMFYSA-N 1 0 319.405 2.516 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000188123745 426724711 /nfs/dbraw/zinc/72/47/11/426724711.db2.gz UXPOXEQRSUGZDO-CQSZACIVSA-N 1 0 317.389 2.638 20 5 DFBDRO Cc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)cc1[N+](=O)[O-] ZINC000274264942 426733031 /nfs/dbraw/zinc/73/30/31/426733031.db2.gz OSJOBRQGYDLGAZ-UHFFFAOYSA-N 1 0 318.402 2.538 20 5 DFBDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266566873 426739795 /nfs/dbraw/zinc/73/97/95/426739795.db2.gz ZYNSFQWZRFEHKX-OCCSQVGLSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000245442525 426740098 /nfs/dbraw/zinc/74/00/98/426740098.db2.gz ICFVSANUYBHYRX-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245541859 426751206 /nfs/dbraw/zinc/75/12/06/426751206.db2.gz JPUBNXXCPBBDAK-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000179103926 426752473 /nfs/dbraw/zinc/75/24/73/426752473.db2.gz LGUAOJUCLNLGFX-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000266937946 426800456 /nfs/dbraw/zinc/80/04/56/426800456.db2.gz AJSRVWNJFGMZFM-JTQLQIEISA-N 1 0 303.284 2.754 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1 ZINC000266939524 426800857 /nfs/dbraw/zinc/80/08/57/426800857.db2.gz QSGHQZNCMXNPNK-CYBMUJFWSA-N 1 0 316.361 2.576 20 5 DFBDRO C[C@H]1CN(C)CC[C@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595580 426801516 /nfs/dbraw/zinc/80/15/16/426801516.db2.gz VPRBYZGIFIOTLB-AFDQWNBZSA-N 1 0 303.406 2.880 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000188930674 426803647 /nfs/dbraw/zinc/80/36/47/426803647.db2.gz VJHPPGCLAMNTLR-UHFFFAOYSA-N 1 0 305.378 2.544 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000188984941 426807607 /nfs/dbraw/zinc/80/76/07/426807607.db2.gz NGMBTNIIEIDZEI-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189083580 426815364 /nfs/dbraw/zinc/81/53/64/426815364.db2.gz FIRIYBMORNRJAG-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO CC(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cccc(F)c1 ZINC000267041284 426816203 /nfs/dbraw/zinc/81/62/03/426816203.db2.gz DCVOGJIDQAVGPI-UHFFFAOYSA-N 1 0 306.341 2.841 20 5 DFBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000179880092 426823904 /nfs/dbraw/zinc/82/39/04/426823904.db2.gz OJFCFDLWHUJYPK-ZDUSSCGKSA-N 1 0 308.378 2.768 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000246390436 426828811 /nfs/dbraw/zinc/82/88/11/426828811.db2.gz KUENEFIPKNAOFN-MKVSYHDVSA-N 1 0 304.390 2.809 20 5 DFBDRO COc1cc(CCNc2cc[nH+]c(C)c2)c([N+](=O)[O-])cc1OC ZINC000274778298 426835417 /nfs/dbraw/zinc/83/54/17/426835417.db2.gz URJYRPONWWVZRC-UHFFFAOYSA-N 1 0 317.345 2.970 20 5 DFBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)c1 ZINC000290776391 426837521 /nfs/dbraw/zinc/83/75/21/426837521.db2.gz CPJUENGMOFJUGM-HNNXBMFYSA-N 1 0 300.362 2.855 20 5 DFBDRO C[C@H](CNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000290834897 426849309 /nfs/dbraw/zinc/84/93/09/426849309.db2.gz IHGSAXQCZFSWIN-MRVPVSSYSA-N 1 0 306.193 2.941 20 5 DFBDRO Cc1c(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cccc1[N+](=O)[O-] ZINC000295195328 426858472 /nfs/dbraw/zinc/85/84/72/426858472.db2.gz UHWSCOGOMUHUTE-UHFFFAOYSA-N 1 0 319.405 2.784 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266900583 426791537 /nfs/dbraw/zinc/79/15/37/426791537.db2.gz UECSYTKLMOSMKL-KGLIPLIRSA-N 1 0 316.357 2.685 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000247200992 426915265 /nfs/dbraw/zinc/91/52/65/426915265.db2.gz OZZZLPBTEWYWMJ-IUODEOHRSA-N 1 0 301.350 2.584 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298751 426865575 /nfs/dbraw/zinc/86/55/75/426865575.db2.gz UCZVXNOGXONZJD-GHMZBOCLSA-N 1 0 310.785 2.706 20 5 DFBDRO CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282341668 426886799 /nfs/dbraw/zinc/88/67/99/426886799.db2.gz BYDMXBUYJSEGIA-CYBMUJFWSA-N 1 0 321.421 2.762 20 5 DFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246997316 426887887 /nfs/dbraw/zinc/88/78/87/426887887.db2.gz KMIDKJYSDFKBDR-YNEHKIRRSA-N 1 0 307.394 2.857 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267996295 426890408 /nfs/dbraw/zinc/89/04/08/426890408.db2.gz RBSUGFCIVIHGJD-ZJUUUORDSA-N 1 0 323.780 2.603 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@@H]1O ZINC000181485251 426954740 /nfs/dbraw/zinc/95/47/40/426954740.db2.gz AALVADJZUXQKEY-YOEHRIQHSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000248399970 426994553 /nfs/dbraw/zinc/99/45/53/426994553.db2.gz PKUNAISVHJJHKJ-RDJZCZTQSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1[NH+](C)C ZINC000268289939 426976999 /nfs/dbraw/zinc/97/69/99/426976999.db2.gz YKQKWUUGQVVKOA-CABZTGNLSA-N 1 0 315.320 2.583 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1[NH+](C)C ZINC000268284442 426978025 /nfs/dbraw/zinc/97/80/25/426978025.db2.gz XGDLIUNRQKYNDM-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000181771012 426981061 /nfs/dbraw/zinc/98/10/61/426981061.db2.gz XWNNBVADQLJANS-ZDUSSCGKSA-N 1 0 302.378 2.747 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247008 426984082 /nfs/dbraw/zinc/98/40/82/426984082.db2.gz VBEGFULHGZDRPL-UKRRQHHQSA-N 1 0 307.369 2.650 20 5 DFBDRO CCn1nc(C)c(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000295512090 426989143 /nfs/dbraw/zinc/98/91/43/426989143.db2.gz UYRHEUWRBOXATC-UHFFFAOYSA-N 1 0 323.784 2.500 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248342323 426991575 /nfs/dbraw/zinc/99/15/75/426991575.db2.gz JMKGHPNGYLRGID-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000275885922 426940938 /nfs/dbraw/zinc/94/09/38/426940938.db2.gz PZBTVEWOHHGLCO-CQSZACIVSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000247482983 426943789 /nfs/dbraw/zinc/94/37/89/426943789.db2.gz SXANSGQWDKODLL-WFASDCNBSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000292019261 427059438 /nfs/dbraw/zinc/05/94/38/427059438.db2.gz FDMCIYOFTSMSNY-ZFWWWQNUSA-N 1 0 305.378 2.694 20 5 DFBDRO Cc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000268365323 426998142 /nfs/dbraw/zinc/99/81/42/426998142.db2.gz XSNJKYXBGXBCHR-KBPBESRZSA-N 1 0 322.409 2.600 20 5 DFBDRO Cc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000268365325 426998590 /nfs/dbraw/zinc/99/85/90/426998590.db2.gz XSNJKYXBGXBCHR-OKILXGFUSA-N 1 0 322.409 2.600 20 5 DFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cn1 ZINC000268372727 427000588 /nfs/dbraw/zinc/00/05/88/427000588.db2.gz ZAGPOSIMARWQCV-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000248452961 427004432 /nfs/dbraw/zinc/00/44/32/427004432.db2.gz YXJODQWBSUPICY-RISCZKNCSA-N 1 0 309.797 2.917 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1F ZINC000283399475 427007388 /nfs/dbraw/zinc/00/73/88/427007388.db2.gz DSYWDEKAEPMAGJ-AWEZNQCLSA-N 1 0 307.369 2.794 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283418945 427009567 /nfs/dbraw/zinc/00/95/67/427009567.db2.gz ARAJAKDFSVAVGX-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000295683472 427014614 /nfs/dbraw/zinc/01/46/14/427014614.db2.gz MQYOADZZMXFHPE-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1nc(NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268448484 427021243 /nfs/dbraw/zinc/02/12/43/427021243.db2.gz FNAYMNPHIYTGOT-RYUDHWBXSA-N 1 0 322.409 2.598 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CCCCCOc2ccccc2)c1 ZINC000276299522 427030272 /nfs/dbraw/zinc/03/02/72/427030272.db2.gz UOTYMLSDIBMILS-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351143 427043539 /nfs/dbraw/zinc/04/35/39/427043539.db2.gz WJWUHBPBFIAOBC-CQSZACIVSA-N 1 0 309.385 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000276363533 427045760 /nfs/dbraw/zinc/04/57/60/427045760.db2.gz ZHJHJWYVPQHZDD-CQSZACIVSA-N 1 0 307.369 2.652 20 5 DFBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182291816 427046992 /nfs/dbraw/zinc/04/69/92/427046992.db2.gz FVLCMPZONWHYNK-CVEARBPZSA-N 1 0 308.378 2.911 20 5 DFBDRO COC(=O)CN(Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000268544604 427048966 /nfs/dbraw/zinc/04/89/66/427048966.db2.gz LNOHTTUNESTMNV-UHFFFAOYSA-N 1 0 322.361 2.521 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000291993332 427050080 /nfs/dbraw/zinc/05/00/80/427050080.db2.gz LHYMSWGXMVKXEL-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@@H](C3CCC3)C2)c(F)c1 ZINC000292037629 427066467 /nfs/dbraw/zinc/06/64/67/427066467.db2.gz ACIYADFKDODBSH-AWEZNQCLSA-N 1 0 308.353 2.982 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000190318659 427072268 /nfs/dbraw/zinc/07/22/68/427072268.db2.gz VOIYUVOMAJYAJS-UHFFFAOYSA-N 1 0 312.439 3.000 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182708839 427128579 /nfs/dbraw/zinc/12/85/79/427128579.db2.gz DQXXAPMTGGXZKG-ZFWWWQNUSA-N 1 0 322.405 2.893 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000276471244 427075340 /nfs/dbraw/zinc/07/53/40/427075340.db2.gz PFLIAAKJOKOZCV-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1(CO)CCC1 ZINC000292126666 427101773 /nfs/dbraw/zinc/10/17/73/427101773.db2.gz KWBHJAOTWCHYGG-UHFFFAOYSA-N 1 0 317.345 2.597 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCCC[C@H]1C ZINC000249297494 427104717 /nfs/dbraw/zinc/10/47/17/427104717.db2.gz BMZUVBDONMPGDS-UKRRQHHQSA-N 1 0 307.394 2.657 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967503 427108845 /nfs/dbraw/zinc/10/88/45/427108845.db2.gz GLKCFQHVVTWXEE-HWPZZCPQSA-N 1 0 319.336 2.700 20 5 DFBDRO C[C@H]1CSCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000190452209 427110808 /nfs/dbraw/zinc/11/08/08/427110808.db2.gz FLPGOSQOKZJAKT-SNVBAGLBSA-N 1 0 307.375 2.921 20 5 DFBDRO C[C@@H]1CSCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000190466123 427115122 /nfs/dbraw/zinc/11/51/22/427115122.db2.gz WEBISFNFXAQCOC-LBPRGKRZSA-N 1 0 323.418 2.608 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NCC1CC[NH2+]CC1 ZINC000044509275 270946954 /nfs/dbraw/zinc/94/69/54/270946954.db2.gz IFBSVEOPUGHVNC-UHFFFAOYSA-N 1 0 314.183 2.769 20 5 DFBDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284074074 427129899 /nfs/dbraw/zinc/12/98/99/427129899.db2.gz LLEWYGRUECJIEI-BLLLJJGKSA-N 1 0 315.373 2.951 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292187669 427124433 /nfs/dbraw/zinc/12/44/33/427124433.db2.gz RDAOVMHMUDBDSQ-OAHLLOKOSA-N 1 0 309.797 2.776 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000268826797 427132319 /nfs/dbraw/zinc/13/23/19/427132319.db2.gz LJMLUYSHMHGGTO-JSGCOSHPSA-N 1 0 305.378 2.524 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860469 427135625 /nfs/dbraw/zinc/13/56/25/427135625.db2.gz RIYHCKXKGDMGOO-CABCVRRESA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@@H]1C[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000284133841 427139039 /nfs/dbraw/zinc/13/90/39/427139039.db2.gz PVEDWHHXYQLNNC-GHMZBOCLSA-N 1 0 313.348 2.788 20 5 DFBDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000952 427144414 /nfs/dbraw/zinc/14/44/14/427144414.db2.gz UWQPCEFBJQFBBE-SWLSCSKDSA-N 1 0 309.435 2.683 20 5 DFBDRO [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269273986 427158364 /nfs/dbraw/zinc/15/83/64/427158364.db2.gz NULDXLLERUYHGO-MFKMUULPSA-N 1 0 317.345 2.588 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532259 271075284 /nfs/dbraw/zinc/07/52/84/271075284.db2.gz AGSKZFSZIPVWLW-BBRMVZONSA-N 1 0 307.369 2.650 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000174194951 271132733 /nfs/dbraw/zinc/13/27/33/271132733.db2.gz UVYFORWUXXRJRS-UHFFFAOYSA-N 1 0 319.405 2.761 20 5 DFBDRO COCC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000284262386 427168560 /nfs/dbraw/zinc/16/85/60/427168560.db2.gz RWXQTBXCHHOFCK-UHFFFAOYSA-N 1 0 300.305 2.731 20 5 DFBDRO CCOCC[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000252353139 427173448 /nfs/dbraw/zinc/17/34/48/427173448.db2.gz RZQCYUPROKCTLJ-CABCVRRESA-N 1 0 321.421 2.698 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000338221472 427199676 /nfs/dbraw/zinc/19/96/76/427199676.db2.gz RAJFADQNANDEJP-UKRRQHHQSA-N 1 0 304.390 2.811 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296495668 427199910 /nfs/dbraw/zinc/19/99/10/427199910.db2.gz BNLMAWRKEDQPQZ-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292905678 427205534 /nfs/dbraw/zinc/20/55/34/427205534.db2.gz WZZIOUOZMASQLJ-INIZCTEOSA-N 1 0 305.378 2.526 20 5 DFBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCCO1 ZINC000183131063 427208226 /nfs/dbraw/zinc/20/82/26/427208226.db2.gz SLYZFTWWPMHTSL-XHDPSFHLSA-N 1 0 317.345 2.907 20 5 DFBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000190949466 427213039 /nfs/dbraw/zinc/21/30/39/427213039.db2.gz WNBIANPJIIIAHF-PWSUYJOCSA-N 1 0 316.304 2.853 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000190975388 427221070 /nfs/dbraw/zinc/22/10/70/427221070.db2.gz AXWNCLAWPRZJTF-UHFFFAOYSA-N 1 0 312.801 2.955 20 5 DFBDRO CCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310188 427245005 /nfs/dbraw/zinc/24/50/05/427245005.db2.gz YXGCBWVZXICNFW-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO COc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285487262 427246388 /nfs/dbraw/zinc/24/63/88/427246388.db2.gz IMPBVFJZRIIIHR-DZGCQCFKSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1ccc(CN2CCO[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000255166380 427246822 /nfs/dbraw/zinc/24/68/22/427246822.db2.gz UQYVIJHCFGNWMX-CZUORRHYSA-N 1 0 306.362 2.747 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255344851 427260665 /nfs/dbraw/zinc/26/06/65/427260665.db2.gz NNSDCERJZIBOOH-CLOOOTJHSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)C1CCCC1 ZINC000330552068 427265241 /nfs/dbraw/zinc/26/52/41/427265241.db2.gz CSJBSJHIZYJALJ-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000285540143 427267268 /nfs/dbraw/zinc/26/72/68/427267268.db2.gz LLUPKTXEKDVXNP-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330586083 427269997 /nfs/dbraw/zinc/26/99/97/427269997.db2.gz SKVGSIIOGZZSFL-OLZOCXBDSA-N 1 0 307.394 2.518 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613826 427276436 /nfs/dbraw/zinc/27/64/36/427276436.db2.gz RPHWUPZIJDADGO-ZFWWWQNUSA-N 1 0 321.421 2.908 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191357860 427327647 /nfs/dbraw/zinc/32/76/47/427327647.db2.gz DBTNITOILKYBSV-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000183729396 427327649 /nfs/dbraw/zinc/32/76/49/427327649.db2.gz LFDGZRHSURTCDZ-DLBZAZTESA-N 1 0 322.405 2.549 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1csc([N+](=O)[O-])c1 ZINC000183811371 427344145 /nfs/dbraw/zinc/34/41/45/427344145.db2.gz CKDGMNAHYDBGTO-UHFFFAOYSA-N 1 0 313.423 2.850 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000331102943 427345171 /nfs/dbraw/zinc/34/51/71/427345171.db2.gz FESGYVVHNPJZOI-CYBMUJFWSA-N 1 0 319.405 2.640 20 5 DFBDRO C[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1C[NH3+] ZINC000261943878 427346218 /nfs/dbraw/zinc/34/62/18/427346218.db2.gz LXUNEICOPMUTJW-NHYWBVRUSA-N 1 0 300.362 2.707 20 5 DFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC000296964133 427290195 /nfs/dbraw/zinc/29/01/95/427290195.db2.gz RGUZBRXYPBHEFV-CQSZACIVSA-N 1 0 314.341 2.697 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000269850761 427292710 /nfs/dbraw/zinc/29/27/10/427292710.db2.gz XVBQSTQZQYBCOA-SFHVURJKSA-N 1 0 312.369 2.827 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285624227 427293409 /nfs/dbraw/zinc/29/34/09/427293409.db2.gz QUSVCQNPPVMEAM-ZDUSSCGKSA-N 1 0 318.295 2.874 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293615421 427380970 /nfs/dbraw/zinc/38/09/70/427380970.db2.gz GVNDCNFTWSFYQY-MEDUHNTESA-N 1 0 307.394 2.769 20 5 DFBDRO C[C@@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628340 427388222 /nfs/dbraw/zinc/38/82/22/427388222.db2.gz HJGVYOGFVONQJO-CHWSQXEVSA-N 1 0 306.410 2.560 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285975136 427390226 /nfs/dbraw/zinc/39/02/26/427390226.db2.gz WURUYJKBDJHPOS-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285976366 427390950 /nfs/dbraw/zinc/39/09/50/427390950.db2.gz FBAOPEOHSOLRBN-JSGCOSHPSA-N 1 0 323.418 2.797 20 5 DFBDRO COc1cc(CN2CCSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184220064 427419303 /nfs/dbraw/zinc/41/93/03/427419303.db2.gz UHAYRTIMEYTMKD-VIFPVBQESA-N 1 0 300.355 2.680 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnn1C ZINC000271121973 427410457 /nfs/dbraw/zinc/41/04/57/427410457.db2.gz JRLGGFBWUNAGOW-LBPRGKRZSA-N 1 0 320.418 2.989 20 5 DFBDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153850 427418072 /nfs/dbraw/zinc/41/80/72/427418072.db2.gz AMXVHRGEWGBIFB-BLLLJJGKSA-N 1 0 300.362 2.847 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000277924873 427361765 /nfs/dbraw/zinc/36/17/65/427361765.db2.gz FKZNDTXPWHBQHW-UHFFFAOYSA-N 1 0 314.345 2.646 20 5 DFBDRO Cc1ccc(C[NH+]2CCC3(CC2)OCCCO3)cc1[N+](=O)[O-] ZINC000293556532 427362387 /nfs/dbraw/zinc/36/23/87/427362387.db2.gz FNKDLCILOHXELQ-UHFFFAOYSA-N 1 0 306.362 2.632 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285888135 427365453 /nfs/dbraw/zinc/36/54/53/427365453.db2.gz ZAJQXJUDFJLVII-SWLSCSKDSA-N 1 0 318.377 2.685 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184544731 427482452 /nfs/dbraw/zinc/48/24/52/427482452.db2.gz DLWAAGFVTGZHMS-CQSZACIVSA-N 1 0 306.318 2.544 20 5 DFBDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000338783289 427483971 /nfs/dbraw/zinc/48/39/71/427483971.db2.gz VAIUTAOAZULCFT-HUUCEWRRSA-N 1 0 317.389 2.619 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271296615 427486214 /nfs/dbraw/zinc/48/62/14/427486214.db2.gz JHENEKUHRLRYHQ-JTQLQIEISA-N 1 0 315.320 2.584 20 5 DFBDRO Cc1nnsc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293740043 427420155 /nfs/dbraw/zinc/42/01/55/427420155.db2.gz QPDUSPHOYASTGZ-CYBMUJFWSA-N 1 0 318.402 2.866 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000286081750 427421499 /nfs/dbraw/zinc/42/14/99/427421499.db2.gz AHFZPJRNRVSGBG-UHFFFAOYSA-N 1 0 311.407 2.604 20 5 DFBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000293763522 427428209 /nfs/dbraw/zinc/42/82/09/427428209.db2.gz SGYUKDGIOZOEIY-CQSZACIVSA-N 1 0 322.405 2.997 20 5 DFBDRO Cc1sc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331523940 427431173 /nfs/dbraw/zinc/43/11/73/427431173.db2.gz DDMDHAVSYMPOGV-NWDGAFQWSA-N 1 0 323.418 2.569 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000338678454 427435934 /nfs/dbraw/zinc/43/59/34/427435934.db2.gz QVWPJARUMHCLDP-CYBMUJFWSA-N 1 0 307.394 2.993 20 5 DFBDRO Cc1cc(NCCc2nccnc2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000338788006 427491321 /nfs/dbraw/zinc/49/13/21/427491321.db2.gz QXGUFELYUUGWBV-UHFFFAOYSA-N 1 0 323.356 2.626 20 5 DFBDRO COC(=O)c1coc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000278908156 427495550 /nfs/dbraw/zinc/49/55/50/427495550.db2.gz ZXKWAEPVYUBCDS-LLVKDONJSA-N 1 0 318.329 2.868 20 5 DFBDRO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271419442 427529996 /nfs/dbraw/zinc/52/99/96/427529996.db2.gz BQGVDSBPBALIMV-WBMJQRKESA-N 1 0 318.348 2.988 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286454809 427533099 /nfs/dbraw/zinc/53/30/99/427533099.db2.gz MPKCURSWIYRUBW-ZDUSSCGKSA-N 1 0 323.368 2.615 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286454805 427534644 /nfs/dbraw/zinc/53/46/44/427534644.db2.gz MPKCURSWIYRUBW-CYBMUJFWSA-N 1 0 323.368 2.615 20 5 DFBDRO CC(=O)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286518796 427537410 /nfs/dbraw/zinc/53/74/10/427537410.db2.gz ZLMUVMVZURCMRP-SWLSCSKDSA-N 1 0 317.389 2.860 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000184789472 427539901 /nfs/dbraw/zinc/53/99/01/427539901.db2.gz ZASCCISZYKHMBT-UHFFFAOYSA-N 1 0 315.320 2.727 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000192496937 427550823 /nfs/dbraw/zinc/55/08/23/427550823.db2.gz PIDOOHNEWWNMIN-NWDGAFQWSA-N 1 0 309.414 2.652 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000286318640 427489592 /nfs/dbraw/zinc/48/95/92/427489592.db2.gz ULRLHXVAAXHBAU-PBWFPOADSA-N 1 0 317.389 2.600 20 5 DFBDRO Cc1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000192811257 427615191 /nfs/dbraw/zinc/61/51/91/427615191.db2.gz ZEJRFSXKWOTFII-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000287454355 427615773 /nfs/dbraw/zinc/61/57/73/427615773.db2.gz VUCJFSNWSHUFJB-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000332594328 427619966 /nfs/dbraw/zinc/61/99/66/427619966.db2.gz OLZUBSMWWIOMPP-UONOGXRCSA-N 1 0 317.389 2.520 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000263750595 427556846 /nfs/dbraw/zinc/55/68/46/427556846.db2.gz GKNDSPPEEFGDOU-UHFFFAOYSA-N 1 0 311.357 2.647 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000332244512 427556910 /nfs/dbraw/zinc/55/69/10/427556910.db2.gz SIOLUZWBBFZYMX-VHRBIJSZSA-N 1 0 310.781 2.841 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000192543322 427559618 /nfs/dbraw/zinc/55/96/18/427559618.db2.gz NBJODOSJBHJNMY-ZDUSSCGKSA-N 1 0 309.414 2.652 20 5 DFBDRO CCOC1(C)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000298289601 427560678 /nfs/dbraw/zinc/56/06/78/427560678.db2.gz OXHUCQBIQCKBKR-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629621 427577372 /nfs/dbraw/zinc/57/73/72/427577372.db2.gz SZQDZKLWCNHLFS-RISCZKNCSA-N 1 0 305.378 2.704 20 5 DFBDRO CCC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000192713367 427592757 /nfs/dbraw/zinc/59/27/57/427592757.db2.gz LPLKCYAMULBLTO-PBHICJAKSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000332364236 427593282 /nfs/dbraw/zinc/59/32/82/427593282.db2.gz TWWKGSFDUQJJQM-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1(C[NH+](C)C)CCCC1 ZINC000192769195 427605950 /nfs/dbraw/zinc/60/59/50/427605950.db2.gz VMVSHUVWUJPKJX-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO CC[C@H]([NH2+]CCC1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000287428285 427606403 /nfs/dbraw/zinc/60/64/03/427606403.db2.gz KLBIUOQEYZTNHZ-HNNXBMFYSA-N 1 0 308.378 2.567 20 5 DFBDRO O=C(C[N@@H+]1CCC[C@@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000263999384 427629039 /nfs/dbraw/zinc/62/90/39/427629039.db2.gz NENQEDXPIYOTSS-CQSZACIVSA-N 1 0 303.362 2.798 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H](CO)c1ccccc1 ZINC000264009843 427631358 /nfs/dbraw/zinc/63/13/58/427631358.db2.gz ILRVSFLVNNVHRT-KRWDZBQOSA-N 1 0 316.357 2.639 20 5 DFBDRO C[C@H]1C[N@H+](CCCNc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000287539282 427632138 /nfs/dbraw/zinc/63/21/38/427632138.db2.gz BLXQTCMEXOUXMI-LBPRGKRZSA-N 1 0 311.357 2.647 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287558229 427638670 /nfs/dbraw/zinc/63/86/70/427638670.db2.gz WSTCIIGWYPLHRN-ZFWWWQNUSA-N 1 0 317.389 2.600 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192963629 427643959 /nfs/dbraw/zinc/64/39/59/427643959.db2.gz KWYJFGZLFLLRKX-BBRMVZONSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279348866 427647848 /nfs/dbraw/zinc/64/78/48/427647848.db2.gz VIYBBEUJLPOWLP-GWCFXTLKSA-N 1 0 302.334 2.923 20 5 DFBDRO CC(C)N1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000192998300 427649230 /nfs/dbraw/zinc/64/92/30/427649230.db2.gz GHNMCYUGXFLCGG-JKSUJKDBSA-N 1 0 317.389 2.571 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000193053235 427658835 /nfs/dbraw/zinc/65/88/35/427658835.db2.gz GKFJZTCBWVAOOS-MRXNPFEDSA-N 1 0 300.362 2.804 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000279396369 427661753 /nfs/dbraw/zinc/66/17/53/427661753.db2.gz ZFXDHLWUWOESBH-GVXVVHGQSA-N 1 0 321.377 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2COc3ccccc32)c(F)c1 ZINC000342419358 272008470 /nfs/dbraw/zinc/00/84/70/272008470.db2.gz AARCWBKYYBIUQK-LBPRGKRZSA-N 1 0 302.305 3.000 20 5 DFBDRO C[C@@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000343080013 272083468 /nfs/dbraw/zinc/08/34/68/272083468.db2.gz UEDJAYXYNUTRDU-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@@H]([NH2+]C(C)(C)CNc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000343570564 272173194 /nfs/dbraw/zinc/17/31/94/272173194.db2.gz XWJNYFFPIAIWLT-CYBMUJFWSA-N 1 0 314.389 2.953 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000343576940 272175338 /nfs/dbraw/zinc/17/53/38/272175338.db2.gz TUSSJGDTWXLDNG-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccccc1[C@H]([C@H](C)Nc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343803567 272222353 /nfs/dbraw/zinc/22/23/53/272222353.db2.gz HDZJESMRMAITHA-WFASDCNBSA-N 1 0 315.377 2.797 20 5 DFBDRO Cc1c(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000343918039 272237416 /nfs/dbraw/zinc/23/74/16/272237416.db2.gz HCUFUMBKMAAYJE-CJNGLKHVSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000343944034 272241521 /nfs/dbraw/zinc/24/15/21/272241521.db2.gz LNPCHFAVQRZSLF-CYBMUJFWSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344009831 272249124 /nfs/dbraw/zinc/24/91/24/272249124.db2.gz INUQGLXCTMTCJW-ZDUSSCGKSA-N 1 0 303.362 2.574 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011148 272249147 /nfs/dbraw/zinc/24/91/47/272249147.db2.gz SDMYYEQJEGTKLJ-GXTWGEPZSA-N 1 0 317.389 2.962 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344211053 272287866 /nfs/dbraw/zinc/28/78/66/272287866.db2.gz JDLQIRZHTUENNO-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000344243872 272295570 /nfs/dbraw/zinc/29/55/70/272295570.db2.gz PKZQSYMLISWZGS-NEPJUHHUSA-N 1 0 323.368 2.727 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCO[C@H]1c1cccnc1 ZINC000344243302 272295721 /nfs/dbraw/zinc/29/57/21/272295721.db2.gz BATSGQLSFUUCHN-SJORKVTESA-N 1 0 313.357 2.952 20 5 DFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000344326131 272313124 /nfs/dbraw/zinc/31/31/24/272313124.db2.gz BTSLXDFNXIRRBL-JKSUJKDBSA-N 1 0 306.362 2.651 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000344658120 272352329 /nfs/dbraw/zinc/35/23/29/272352329.db2.gz GRNHZRZHQJZQEE-AWEZNQCLSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344737853 272363837 /nfs/dbraw/zinc/36/38/37/272363837.db2.gz ZAFOABDCMBPYJY-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cn1cccn1 ZINC000344793755 272369823 /nfs/dbraw/zinc/36/98/23/272369823.db2.gz PGKMVVAMNBHUQJ-XXYUJHKVSA-N 1 0 300.362 2.873 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000344799040 272371636 /nfs/dbraw/zinc/37/16/36/272371636.db2.gz YQTOSZRSCKUBIC-DJTUGOFGSA-N 1 0 304.268 2.511 20 5 DFBDRO CO[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000344797760 272371752 /nfs/dbraw/zinc/37/17/52/272371752.db2.gz RAUIJOGOFAJPKZ-LBPRGKRZSA-N 1 0 306.284 2.960 20 5 DFBDRO CSC[C@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344857212 272377662 /nfs/dbraw/zinc/37/76/62/272377662.db2.gz FXCWWLMFBYQIGQ-CUXKMMBLSA-N 1 0 310.419 2.702 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCC1=O ZINC000344854676 272377725 /nfs/dbraw/zinc/37/77/25/272377725.db2.gz JMSFCTRWUXUPJE-KAMYIIQDSA-N 1 0 317.389 2.600 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccn(C)n1 ZINC000344862909 272378736 /nfs/dbraw/zinc/37/87/36/272378736.db2.gz KXZBFRBZVOPOAY-RAXLEYEMSA-N 1 0 300.362 2.564 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCO[C@@H]1CCOC1 ZINC000345045079 272397383 /nfs/dbraw/zinc/39/73/83/272397383.db2.gz STHAQZUQSNKWPE-OOXMNIKJSA-N 1 0 320.389 2.783 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000298721910 427687465 /nfs/dbraw/zinc/68/74/65/427687465.db2.gz JCNOUONJYYGNRK-DZGCQCFKSA-N 1 0 318.377 2.652 20 5 DFBDRO CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000295095529 427688435 /nfs/dbraw/zinc/68/84/35/427688435.db2.gz JUEKVPZJSDAQCP-WFASDCNBSA-N 1 0 323.393 2.717 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287778610 427690222 /nfs/dbraw/zinc/69/02/22/427690222.db2.gz RZYIWILPGAPYMW-AAEUAGOBSA-N 1 0 318.295 2.837 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000272340492 427714631 /nfs/dbraw/zinc/71/46/31/427714631.db2.gz WVQWXGOTWNBVOS-NXEZZACHSA-N 1 0 319.386 2.619 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000339395999 427768297 /nfs/dbraw/zinc/76/82/97/427768297.db2.gz SOYQPRHCVLVMSO-GFCCVEGCSA-N 1 0 306.322 2.603 20 5 DFBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000301066619 427773279 /nfs/dbraw/zinc/77/32/79/427773279.db2.gz GTMUUKMSYIRWNZ-MRXNPFEDSA-N 1 0 307.394 2.754 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301072062 427773763 /nfs/dbraw/zinc/77/37/63/427773763.db2.gz FXFZESNEURSQSY-TXEJJXNPSA-N 1 0 311.357 2.645 20 5 DFBDRO COC(=O)c1cc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301092499 427775115 /nfs/dbraw/zinc/77/51/15/427775115.db2.gz TZNYOYBCJJBADK-UHFFFAOYSA-N 1 0 321.377 2.666 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000301155069 427778955 /nfs/dbraw/zinc/77/89/55/427778955.db2.gz FQTCNDMFDYHDKW-KBPBESRZSA-N 1 0 307.394 2.814 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301336260 427789680 /nfs/dbraw/zinc/78/96/80/427789680.db2.gz DDQIBXDDMDMHQX-UHFFFAOYSA-N 1 0 315.320 2.727 20 5 DFBDRO Cc1ccnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000336705031 427748656 /nfs/dbraw/zinc/74/86/56/427748656.db2.gz HQINOAMWYROGSY-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000336717849 427751462 /nfs/dbraw/zinc/75/14/62/427751462.db2.gz QRHJOJCSFOJYQX-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000301384813 427793303 /nfs/dbraw/zinc/79/33/03/427793303.db2.gz WLKHHWNIKCLRMZ-UHFFFAOYSA-N 1 0 315.320 2.728 20 5 DFBDRO Cc1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000301479980 427798340 /nfs/dbraw/zinc/79/83/40/427798340.db2.gz RHMWNXHUHIZKQE-ZNMIVQPWSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1ccc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000301512776 427801998 /nfs/dbraw/zinc/80/19/98/427801998.db2.gz IZNCNIJHNNDFQF-AWEZNQCLSA-N 1 0 307.394 2.672 20 5 DFBDRO Cc1ccc2c(c1)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C(C)(C)C2 ZINC000339635928 427804212 /nfs/dbraw/zinc/80/42/12/427804212.db2.gz FWALRQLRRHQRNX-UHFFFAOYSA-N 1 0 314.389 2.937 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000301562032 427805409 /nfs/dbraw/zinc/80/54/09/427805409.db2.gz KRPFJPGNYZBTIX-OKILXGFUSA-N 1 0 307.394 2.814 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000301822573 427826756 /nfs/dbraw/zinc/82/67/56/427826756.db2.gz HGJBXORQGGXVAW-GOEBONIOSA-N 1 0 316.336 2.986 20 5 DFBDRO Cc1cc(N2CC[C@@H](O)[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302555210 427854277 /nfs/dbraw/zinc/85/42/77/427854277.db2.gz XPMFVLVXCOYHMV-QLJPJBMISA-N 1 0 301.346 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]3CCC2CC3)cc1C(F)(F)F ZINC000302760011 427866794 /nfs/dbraw/zinc/86/67/94/427866794.db2.gz JUEWTZRWYBMANH-UHFFFAOYSA-N 1 0 315.295 2.898 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302876087 427882480 /nfs/dbraw/zinc/88/24/80/427882480.db2.gz FWMNEXXAENJNBL-ZDUSSCGKSA-N 1 0 318.421 2.873 20 5 DFBDRO Cc1c(C[NH2+][C@@H](CO)c2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000359540893 427901159 /nfs/dbraw/zinc/90/11/59/427901159.db2.gz QAYVXVQKVWZUTK-HNNXBMFYSA-N 1 0 304.321 2.866 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000349961367 427906460 /nfs/dbraw/zinc/90/64/60/427906460.db2.gz GPSLRICKTXYKAJ-CHWSQXEVSA-N 1 0 318.295 2.791 20 5 DFBDRO COC(C)(C)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000345793584 427907420 /nfs/dbraw/zinc/90/74/20/427907420.db2.gz SEXKYKKICSUZRQ-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000340475293 427859251 /nfs/dbraw/zinc/85/92/51/427859251.db2.gz XFQCGXQXKITPHH-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000350608775 427956666 /nfs/dbraw/zinc/95/66/66/427956666.db2.gz SSGLNWXJCXSTMM-AOOOYVTPSA-N 1 0 317.349 2.600 20 5 DFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)Cc1ccc(F)cc1 ZINC000413175124 427980097 /nfs/dbraw/zinc/98/00/97/427980097.db2.gz QYQAYPIWHWGLNT-UHFFFAOYSA-N 1 0 322.315 2.812 20 5 DFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000413187268 427984853 /nfs/dbraw/zinc/98/48/53/427984853.db2.gz QZOTWCWLCFNMGO-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000341055058 427985045 /nfs/dbraw/zinc/98/50/45/427985045.db2.gz HXROKKJDCIBFEI-BETUJISGSA-N 1 0 305.378 2.588 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341056253 427985059 /nfs/dbraw/zinc/98/50/59/427985059.db2.gz IQIYGHQXDPDTTI-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000413195213 427988899 /nfs/dbraw/zinc/98/88/99/427988899.db2.gz CJUDKBUOHRQSQW-ABAIWWIYSA-N 1 0 320.368 2.582 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345875409 427936596 /nfs/dbraw/zinc/93/65/96/427936596.db2.gz BKQCMPRRYBHVKL-VXGBXAGGSA-N 1 0 306.366 2.541 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347227421 272751626 /nfs/dbraw/zinc/75/16/26/272751626.db2.gz ITSMYQJZINLTMC-SNVBAGLBSA-N 1 0 312.345 2.586 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347350099 272780122 /nfs/dbraw/zinc/78/01/22/272780122.db2.gz CJTVGMTVCXVMHE-OOXMNIKJSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1ccc(Nc2ccn(C3CC[NH+](C)CC3)n2)c([N+](=O)[O-])c1 ZINC000369680321 428034334 /nfs/dbraw/zinc/03/43/34/428034334.db2.gz FAOPSJZYGJKEOA-UHFFFAOYSA-N 1 0 315.377 3.110 20 5 DFBDRO C[N@@H+]1CCC[C@H](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000413433309 428048339 /nfs/dbraw/zinc/04/83/39/428048339.db2.gz DDJSFRYXKKOCLM-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000369768894 428057480 /nfs/dbraw/zinc/05/74/80/428057480.db2.gz YKBWZAGHDIUZLH-HOTGVXAUSA-N 1 0 319.405 2.662 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413242408 428001187 /nfs/dbraw/zinc/00/11/87/428001187.db2.gz LCJIHVDXWVDORX-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO C[S@](=O)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413278059 428010438 /nfs/dbraw/zinc/01/04/38/428010438.db2.gz YIGSDDYEDXHHRQ-QFIPXVFZSA-N 1 0 319.386 2.856 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CCO)c1ccco1 ZINC000346242580 428089239 /nfs/dbraw/zinc/08/92/39/428089239.db2.gz SDUOHOWBRPFCDS-XSHSDMCLSA-N 1 0 302.330 2.914 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369967971 428099793 /nfs/dbraw/zinc/09/97/93/428099793.db2.gz VHKXHBMKFWWMQG-ZIAGYGMSSA-N 1 0 305.378 2.780 20 5 DFBDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)C2CC2)cc1[N+](=O)[O-] ZINC000356288470 428108975 /nfs/dbraw/zinc/10/89/75/428108975.db2.gz KNYCVDZUMVBFFP-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO Cc1c(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017601 428111896 /nfs/dbraw/zinc/11/18/96/428111896.db2.gz KPNPSPVQLSTTLO-STQMWFEESA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046233 428119162 /nfs/dbraw/zinc/11/91/62/428119162.db2.gz QHYIKHQQYIMRLD-ZYHUDNBSSA-N 1 0 306.391 2.768 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341595608 428121505 /nfs/dbraw/zinc/12/15/05/428121505.db2.gz UVZPSVISCBADFJ-CHWSQXEVSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000351969090 428123313 /nfs/dbraw/zinc/12/33/13/428123313.db2.gz USEIGXCUAAZCGH-ZDUSSCGKSA-N 1 0 321.421 2.719 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412789 428126070 /nfs/dbraw/zinc/12/60/70/428126070.db2.gz OUWGMLAOWQZGQO-OCCSQVGLSA-N 1 0 300.362 2.916 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000377121649 428064786 /nfs/dbraw/zinc/06/47/86/428064786.db2.gz WSZHJQNNCNHMOG-OAHLLOKOSA-N 1 0 300.362 2.804 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352354894 428132700 /nfs/dbraw/zinc/13/27/00/428132700.db2.gz FTISUBCXMIRXCO-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO CCC[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352356598 428132993 /nfs/dbraw/zinc/13/29/93/428132993.db2.gz MNECMCDCJUIPTJ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1NC1CC[NH+](C2CC2)CC1 ZINC000352362606 428134994 /nfs/dbraw/zinc/13/49/94/428134994.db2.gz WMKGRWVKUVHUMH-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DFBDRO CCOc1cc(C[NH+]2CCC3(CCO3)CC2)ccc1[N+](=O)[O-] ZINC000370308462 428182871 /nfs/dbraw/zinc/18/28/71/428182871.db2.gz NGFJQDQVPYQPSJ-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO C[C@H]1C[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620683 428173147 /nfs/dbraw/zinc/17/31/47/428173147.db2.gz HAKRZJJAFYRCLP-STQMWFEESA-N 1 0 306.362 2.604 20 5 DFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000414106146 428209528 /nfs/dbraw/zinc/20/95/28/428209528.db2.gz QNUFFOBAMGEVHK-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO COC1(C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC000356519173 428214901 /nfs/dbraw/zinc/21/49/01/428214901.db2.gz HFBJECDUAZTHHG-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+]C1(c2ccccc2)CCCC1 ZINC000341872920 428236948 /nfs/dbraw/zinc/23/69/48/428236948.db2.gz FXEUPTBPKBDVJI-UHFFFAOYSA-N 1 0 300.362 2.887 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CS[C@H](C)C1 ZINC000414222070 428237272 /nfs/dbraw/zinc/23/72/72/428237272.db2.gz DYMYEXNXRAOIRH-NQBHXWOUSA-N 1 0 323.418 2.796 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000414092166 428204180 /nfs/dbraw/zinc/20/41/80/428204180.db2.gz FCEUHUHZQDDSED-VXGBXAGGSA-N 1 0 305.378 2.948 20 5 DFBDRO COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982751 428278836 /nfs/dbraw/zinc/27/88/36/428278836.db2.gz ANFCFIYWFXRUBS-SMDDNHRTSA-N 1 0 306.362 2.787 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342037710 428282085 /nfs/dbraw/zinc/28/20/85/428282085.db2.gz UCFUEPKBPLEOLR-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000370721633 428284860 /nfs/dbraw/zinc/28/48/60/428284860.db2.gz ADJLVMMPAVYCRJ-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356741761 428290864 /nfs/dbraw/zinc/29/08/64/428290864.db2.gz MCAXJALECWKSAW-JTQLQIEISA-N 1 0 313.785 2.707 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294621798 273544697 /nfs/dbraw/zinc/54/46/97/273544697.db2.gz OTEYQOFPGTYRFO-GFCCVEGCSA-N 1 0 306.284 2.720 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773686 428241947 /nfs/dbraw/zinc/24/19/47/428241947.db2.gz UFCHADOYMZORIJ-DZGCQCFKSA-N 1 0 321.421 2.766 20 5 DFBDRO CS[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1[NH+](C)C ZINC000352776977 428242027 /nfs/dbraw/zinc/24/20/27/428242027.db2.gz FINULYWTLLYHEN-DAXOMENPSA-N 1 0 323.462 2.942 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776521 428242242 /nfs/dbraw/zinc/24/22/42/428242242.db2.gz CRSFCIKTAQIXHV-LSDHHAIUSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352780721 428245338 /nfs/dbraw/zinc/24/53/38/428245338.db2.gz VFCDKOGDAOCBHH-CYBMUJFWSA-N 1 0 316.361 2.706 20 5 DFBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000356614823 428255832 /nfs/dbraw/zinc/25/58/32/428255832.db2.gz BWOQXWWQVLMQCN-UHFFFAOYSA-N 1 0 313.357 2.719 20 5 DFBDRO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000352921457 428313709 /nfs/dbraw/zinc/31/37/09/428313709.db2.gz ISVLSJVPSWRTKR-YIONKMFJSA-N 1 0 319.405 2.660 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342149683 428323350 /nfs/dbraw/zinc/32/33/50/428323350.db2.gz GGOGUQFRQWKBSI-PBHICJAKSA-N 1 0 318.373 2.760 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000346808858 428326177 /nfs/dbraw/zinc/32/61/77/428326177.db2.gz OGVASHDIQATAFL-IIAWOOMASA-N 1 0 305.422 2.988 20 5 DFBDRO Cc1ccc(N2CC[NH+]([C@@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000378184048 428328340 /nfs/dbraw/zinc/32/83/40/428328340.db2.gz NOGOAAQTUNDAHY-CYBMUJFWSA-N 1 0 307.419 2.531 20 5 DFBDRO CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000346860372 428351367 /nfs/dbraw/zinc/35/13/67/428351367.db2.gz UOFYNTAOWKUVEQ-HUUCEWRRSA-N 1 0 321.421 2.656 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000353017709 428353675 /nfs/dbraw/zinc/35/36/75/428353675.db2.gz RVXAUCLYCDBFOO-MLGOLLRUSA-N 1 0 319.405 2.740 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353020045 428354479 /nfs/dbraw/zinc/35/44/79/428354479.db2.gz NSSJDPXNVAVMKS-JSGCOSHPSA-N 1 0 319.405 2.931 20 5 DFBDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000353131357 428398638 /nfs/dbraw/zinc/39/86/38/428398638.db2.gz YYECUTUQQXWYEI-JOCHJYFZSA-N 1 0 318.398 2.763 20 5 DFBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000357036489 428372030 /nfs/dbraw/zinc/37/20/30/428372030.db2.gz KNMPYJWGEOWMKT-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@]12CCCO2 ZINC000353210630 428433447 /nfs/dbraw/zinc/43/34/47/428433447.db2.gz ZOAIWLYKCXLYPJ-XHSDSOJGSA-N 1 0 324.352 2.550 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCNC1 ZINC000414866142 428439482 /nfs/dbraw/zinc/43/94/82/428439482.db2.gz MFKVBBROYQHTQN-CWRNSKLLSA-N 1 0 303.406 2.648 20 5 DFBDRO C[C@@H](CC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414899138 428450922 /nfs/dbraw/zinc/45/09/22/428450922.db2.gz UFSVMDKMGBKOSK-JTQLQIEISA-N 1 0 306.391 2.545 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000357281408 428464488 /nfs/dbraw/zinc/46/44/88/428464488.db2.gz BTLGQNUKEMGXRD-LBPRGKRZSA-N 1 0 314.345 2.588 20 5 DFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])cn2)c1 ZINC000347144862 428467361 /nfs/dbraw/zinc/46/73/61/428467361.db2.gz UYXCGDRPJKRGLZ-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291872381 273806785 /nfs/dbraw/zinc/80/67/85/273806785.db2.gz IKVACRRGPIRUMY-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)[NH3+] ZINC000415021316 428490374 /nfs/dbraw/zinc/49/03/74/428490374.db2.gz UIOZEMHFRAGTBP-VHSXEESVSA-N 1 0 306.391 2.544 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])cc2C)CC1 ZINC000360955313 428508085 /nfs/dbraw/zinc/50/80/85/428508085.db2.gz QWYSGWWTKIVONV-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CC[N@H+](C)C1CCCCC1 ZINC000360954557 428509327 /nfs/dbraw/zinc/50/93/27/428509327.db2.gz RLEROBRFRCBDRS-UHFFFAOYSA-N 1 0 323.441 2.820 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000357418581 428527555 /nfs/dbraw/zinc/52/75/55/428527555.db2.gz QCNOMWRPKHXHDO-PWSUYJOCSA-N 1 0 317.345 2.554 20 5 DFBDRO CC[C@H]([NH3+])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414977426 428477501 /nfs/dbraw/zinc/47/75/01/428477501.db2.gz JYUIBESIVFYAKG-NSHDSACASA-N 1 0 306.391 2.545 20 5 DFBDRO C[NH2+]Cc1ccc(NCc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000414974344 428478684 /nfs/dbraw/zinc/47/86/84/428478684.db2.gz JWVZDSYDNMGFPG-UHFFFAOYSA-N 1 0 301.346 2.935 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415479255 428587759 /nfs/dbraw/zinc/58/77/59/428587759.db2.gz FJXUCMVHSRRFHX-GFCCVEGCSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415480237 428587856 /nfs/dbraw/zinc/58/78/56/428587856.db2.gz HBCMDDJRQIJRGJ-ZWNOBZJWSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415492472 428589142 /nfs/dbraw/zinc/58/91/42/428589142.db2.gz CBKFQRNREWCIID-JOCQHMNTSA-N 1 0 320.393 2.790 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@](C)(F)C2)cccc1[N+](=O)[O-] ZINC000347366613 428564519 /nfs/dbraw/zinc/56/45/19/428564519.db2.gz ZZCPBFOIEVSNQW-HNNXBMFYSA-N 1 0 309.341 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415297327 428564660 /nfs/dbraw/zinc/56/46/60/428564660.db2.gz NNQAPNUBUMDQER-UHFFFAOYSA-N 1 0 306.366 2.605 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415303623 428565762 /nfs/dbraw/zinc/56/57/62/428565762.db2.gz UZEUFTCTLXCCPW-UHFFFAOYSA-N 1 0 318.377 2.643 20 5 DFBDRO Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000415411672 428579841 /nfs/dbraw/zinc/57/98/41/428579841.db2.gz BLYAGENDQLDPCA-SMDDNHRTSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415586844 428599609 /nfs/dbraw/zinc/59/96/09/428599609.db2.gz WAQNRMICOXROMN-GWCFXTLKSA-N 1 0 320.393 2.803 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000343997539 428602245 /nfs/dbraw/zinc/60/22/45/428602245.db2.gz CCEPVDZTKYQZSQ-CYBMUJFWSA-N 1 0 306.362 2.714 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000347576311 428609648 /nfs/dbraw/zinc/60/96/48/428609648.db2.gz AWEVOHAREOKVRI-NEPJUHHUSA-N 1 0 321.377 2.917 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1OCC ZINC000415649714 428610316 /nfs/dbraw/zinc/61/03/16/428610316.db2.gz DOMHFTYHYPBOLA-NSHDSACASA-N 1 0 324.381 2.633 20 5 DFBDRO CCc1nn(C)c(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000408176778 428613589 /nfs/dbraw/zinc/61/35/89/428613589.db2.gz IVXLXFIMWPQHCZ-UHFFFAOYSA-N 1 0 309.414 2.612 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000373604970 428618351 /nfs/dbraw/zinc/61/83/51/428618351.db2.gz UMISIQGOZOOZAF-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@H+](C)Cc1ccccc1 ZINC000344441319 428643304 /nfs/dbraw/zinc/64/33/04/428643304.db2.gz WBVZLRNFDXUHOI-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000362181111 428650467 /nfs/dbraw/zinc/65/04/67/428650467.db2.gz ODWZIACRVOTMBZ-GHMZBOCLSA-N 1 0 312.341 2.647 20 5 DFBDRO CCc1ccc(C(=O)N2[C@@H](C)C[NH+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000344470114 428655016 /nfs/dbraw/zinc/65/50/16/428655016.db2.gz VJVGZOUOAKLFGJ-STQMWFEESA-N 1 0 319.405 2.712 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000262008979 274240513 /nfs/dbraw/zinc/24/05/13/274240513.db2.gz WCPAOQNPYHTAEB-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000302539868 274351998 /nfs/dbraw/zinc/35/19/98/274351998.db2.gz SJCOWZLBEHDHTH-CKEIUWERSA-N 1 0 319.405 2.673 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2C[C@H]2C(F)F)n1 ZINC000348314303 428704380 /nfs/dbraw/zinc/70/43/80/428704380.db2.gz WGBCQBKNHBZZAH-VPOLOUISSA-N 1 0 300.309 2.518 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353776848 428708151 /nfs/dbraw/zinc/70/81/51/428708151.db2.gz ULEWHMLMJDOHKV-PIZKADEWSA-N 1 0 319.405 2.750 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000344828988 428710709 /nfs/dbraw/zinc/71/07/09/428710709.db2.gz QMDAKDGMEPCDKO-BMQCOBNYSA-N 1 0 301.390 2.824 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C1CC1)N(C)C ZINC000344842376 428712377 /nfs/dbraw/zinc/71/23/77/428712377.db2.gz BEUQXPNVXMULLJ-GQPJMJRUSA-N 1 0 303.406 2.928 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000229597687 274419195 /nfs/dbraw/zinc/41/91/95/274419195.db2.gz UCCBAEFZZJGESS-KWQFWETISA-N 1 0 314.183 2.910 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+][C@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344844372 428713144 /nfs/dbraw/zinc/71/31/44/428713144.db2.gz IOAURMBZKRLBII-NSHDSACASA-N 1 0 318.329 2.742 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1ccnc1 ZINC000344867661 428716169 /nfs/dbraw/zinc/71/61/69/428716169.db2.gz VUSLVVNQDATXMH-UVTDQMKNSA-N 1 0 300.362 2.875 20 5 DFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)ccn1 ZINC000411197314 428757401 /nfs/dbraw/zinc/75/74/01/428757401.db2.gz GVZHGHVIANRNNM-UHFFFAOYSA-N 1 0 315.329 2.760 20 5 DFBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353895586 428767043 /nfs/dbraw/zinc/76/70/43/428767043.db2.gz COLCBODUVWYQFE-XJKSGUPXSA-N 1 0 312.373 2.980 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1F ZINC000374863952 428768206 /nfs/dbraw/zinc/76/82/06/428768206.db2.gz PVLZKKQHKBWLAX-AWEZNQCLSA-N 1 0 308.353 2.982 20 5 DFBDRO CO[C@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411285357 428772098 /nfs/dbraw/zinc/77/20/98/428772098.db2.gz RGFLWADYOSSRFS-CYBMUJFWSA-N 1 0 323.393 2.669 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@H]2OC(F)F)cc1 ZINC000348535816 428774573 /nfs/dbraw/zinc/77/45/73/428774573.db2.gz RJOKOUPZIKJPLV-QWHCGFSZSA-N 1 0 316.304 2.724 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000132477290 274504371 /nfs/dbraw/zinc/50/43/71/274504371.db2.gz ZYSSBZKSLLWGGE-DTWKUNHWSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153045444 274521547 /nfs/dbraw/zinc/52/15/47/274521547.db2.gz MSVUXPPZPIFZSF-DZGCQCFKSA-N 1 0 312.373 2.919 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000192770454 274527343 /nfs/dbraw/zinc/52/73/43/274527343.db2.gz OVWBTNXCDHWNCR-NHYWBVRUSA-N 1 0 319.405 2.865 20 5 DFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000353845142 428745262 /nfs/dbraw/zinc/74/52/62/428745262.db2.gz NLXGMSFHQHYYKV-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000375051580 428798635 /nfs/dbraw/zinc/79/86/35/428798635.db2.gz WWCUEUSSCSZXLH-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000345279634 428826748 /nfs/dbraw/zinc/82/67/48/428826748.db2.gz VXDPLHZASNIDSE-STQMWFEESA-N 1 0 320.393 2.816 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375279974 428839298 /nfs/dbraw/zinc/83/92/98/428839298.db2.gz IARPXOUKNWRLKY-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000363021372 428842908 /nfs/dbraw/zinc/84/29/08/428842908.db2.gz MKMXIPMJBPXPHS-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354200403 428910758 /nfs/dbraw/zinc/91/07/58/428910758.db2.gz UMZQIXRRGIULHC-KBPBESRZSA-N 1 0 308.378 2.898 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000348896664 428873766 /nfs/dbraw/zinc/87/37/66/428873766.db2.gz ADIAWWPETJXBIG-UHFFFAOYSA-N 1 0 319.405 2.761 20 5 DFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363171764 428874978 /nfs/dbraw/zinc/87/49/78/428874978.db2.gz CFWNFUHUOJEGQI-GXTWGEPZSA-N 1 0 300.362 2.706 20 5 DFBDRO CC[C@@H]1C[C@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCO1 ZINC000348933334 428881908 /nfs/dbraw/zinc/88/19/08/428881908.db2.gz IOHFJTPJAARXMD-ZIAGYGMSSA-N 1 0 307.394 2.565 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2c1 ZINC000363211089 428882151 /nfs/dbraw/zinc/88/21/51/428882151.db2.gz BVSDHOKADMXAEG-KBPBESRZSA-N 1 0 312.373 3.182 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348950874 428886477 /nfs/dbraw/zinc/88/64/77/428886477.db2.gz RDDUWUXXAUUHOT-OAHLLOKOSA-N 1 0 320.389 2.865 20 5 DFBDRO CO[C@@](C)([C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411941347 428890275 /nfs/dbraw/zinc/89/02/75/428890275.db2.gz GXLJMBPDDDUMKL-LRDDRELGSA-N 1 0 308.378 2.767 20 5 DFBDRO COc1ccc(CN2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000375468197 428892373 /nfs/dbraw/zinc/89/23/73/428892373.db2.gz DUZWWAVZBQGQDQ-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449843 428917222 /nfs/dbraw/zinc/91/72/22/428917222.db2.gz NGDVEMDRPSPMMX-IAGOWNOFSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n(C)n1 ZINC000284310155 274697921 /nfs/dbraw/zinc/69/79/21/274697921.db2.gz LGGCRQCDJVRVDF-INIZCTEOSA-N 1 0 300.362 2.804 20 5 DFBDRO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412033786 428918451 /nfs/dbraw/zinc/91/84/51/428918451.db2.gz SJQAOJVBRIPXAW-GWCFXTLKSA-N 1 0 301.350 2.572 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000345516789 428919141 /nfs/dbraw/zinc/91/91/41/428919141.db2.gz AETINKMNLVDDRV-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000354224671 428924767 /nfs/dbraw/zinc/92/47/67/428924767.db2.gz ONELPOLZXUBGQD-CABCVRRESA-N 1 0 321.421 2.778 20 5 DFBDRO Cc1nnc([C@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043865 428925604 /nfs/dbraw/zinc/92/56/04/428925604.db2.gz PUXWOAQJSAELIV-AAEUAGOBSA-N 1 0 315.377 2.880 20 5 DFBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000412056852 428932052 /nfs/dbraw/zinc/93/20/52/428932052.db2.gz POJIRVOAYIMZLC-OAHLLOKOSA-N 1 0 317.389 2.572 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587444 428947588 /nfs/dbraw/zinc/94/75/88/428947588.db2.gz NOENDGMCNGPVOS-RBSFLKMASA-N 1 0 319.405 2.896 20 5 DFBDRO C[NH+](C)CCN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000349289625 428956752 /nfs/dbraw/zinc/95/67/52/428956752.db2.gz WNLYZKXXTCXTOF-UHFFFAOYSA-N 1 0 314.389 2.554 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000375737745 428957631 /nfs/dbraw/zinc/95/76/31/428957631.db2.gz FNYDPZOLZGKLSF-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000412109718 428957924 /nfs/dbraw/zinc/95/79/24/428957924.db2.gz UOJWCDVYSNUZAA-WBMJQRKESA-N 1 0 306.362 2.931 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412359124 429024586 /nfs/dbraw/zinc/02/45/86/429024586.db2.gz FYJVIPZCZFWCSF-UHOFOFEASA-N 1 0 319.405 2.543 20 5 DFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000354331296 428972902 /nfs/dbraw/zinc/97/29/02/428972902.db2.gz CSYXLGKDEMLWQX-SWLSCSKDSA-N 1 0 308.378 2.898 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)CC(C)(C)C ZINC000451778476 428973220 /nfs/dbraw/zinc/97/32/20/428973220.db2.gz KBCJUEBZQPQFGX-AWEZNQCLSA-N 1 0 310.394 2.703 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451825359 428987704 /nfs/dbraw/zinc/98/77/04/428987704.db2.gz CYTQBOVDGYPCLV-CVEARBPZSA-N 1 0 320.389 2.993 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000375820995 428989179 /nfs/dbraw/zinc/98/91/79/428989179.db2.gz YPWYRJDESILDBI-CJNGLKHVSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000451830523 428992210 /nfs/dbraw/zinc/99/22/10/428992210.db2.gz YRWYODUGBURFCT-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CC1(C)C[C@@H]([NH2+][C@@H](CO)CC(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433089707 428993029 /nfs/dbraw/zinc/99/30/29/428993029.db2.gz PNYBOJZJLNHWAY-NOZJJQNGSA-N 1 0 314.332 2.923 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000423698500 429000892 /nfs/dbraw/zinc/00/08/92/429000892.db2.gz PEQKNWPUZZPRTL-LBPRGKRZSA-N 1 0 307.394 2.966 20 5 DFBDRO CCC[C@H](NC[C@@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437921 429089829 /nfs/dbraw/zinc/08/98/29/429089829.db2.gz UPACERXIWOKQBA-DLBZAZTESA-N 1 0 321.421 2.794 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001920 429035355 /nfs/dbraw/zinc/03/53/55/429035355.db2.gz GGAAKMFUXYDCGB-JSGCOSHPSA-N 1 0 308.378 2.597 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000452017012 429040586 /nfs/dbraw/zinc/04/05/86/429040586.db2.gz WXDXOXPKAYJARB-LBPRGKRZSA-N 1 0 317.389 2.747 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NCc1c(F)cc([N+](=O)[O-])cc1F ZINC000452099633 429056236 /nfs/dbraw/zinc/05/62/36/429056236.db2.gz XNJRRGXVUUTNAT-UHFFFAOYSA-N 1 0 313.348 2.837 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](NC[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349534 429069015 /nfs/dbraw/zinc/06/90/15/429069015.db2.gz VYSNHFTXXOJIHX-RDTXWAMCSA-N 1 0 311.385 2.883 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000376160773 429069166 /nfs/dbraw/zinc/06/91/66/429069166.db2.gz DVXSJUVPZIGHLY-OSRDXIQISA-N 1 0 317.389 2.563 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376205491 429075141 /nfs/dbraw/zinc/07/51/41/429075141.db2.gz QTDXZYWUDFYZIR-CZUORRHYSA-N 1 0 319.405 2.804 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000413157259 429151446 /nfs/dbraw/zinc/15/14/46/429151446.db2.gz HHKHJEYPQUEPEX-BDAKNGLRSA-N 1 0 318.299 2.903 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cncn2C(C)C)cc1[N+](=O)[O-] ZINC000424163104 429102428 /nfs/dbraw/zinc/10/24/28/429102428.db2.gz XLBIUBJYYMRNON-UHFFFAOYSA-N 1 0 304.350 2.671 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423508644 429103444 /nfs/dbraw/zinc/10/34/44/429103444.db2.gz IXDKFNHMSMFJHC-MNOVXSKESA-N 1 0 323.418 2.516 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434791925 429112388 /nfs/dbraw/zinc/11/23/88/429112388.db2.gz DUGGLCOETKMXOF-JSGCOSHPSA-N 1 0 314.769 2.532 20 5 DFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982005 429117018 /nfs/dbraw/zinc/11/70/18/429117018.db2.gz JGFTYUFGRWBSDN-HUUCEWRRSA-N 1 0 324.425 2.707 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000435043023 429119533 /nfs/dbraw/zinc/11/95/33/429119533.db2.gz PCZBQCHZIZVSSX-PSVOHZHUSA-N 1 0 304.346 2.539 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413031595 429124222 /nfs/dbraw/zinc/12/42/22/429124222.db2.gz XPXSHECLQFKTBG-ZDUSSCGKSA-N 1 0 318.352 2.714 20 5 DFBDRO CC(C)[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413050683 429128026 /nfs/dbraw/zinc/12/80/26/429128026.db2.gz VXYQTIDNXKXVIC-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(CC[N@H+](C)C1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413066458 429131260 /nfs/dbraw/zinc/13/12/60/429131260.db2.gz DACUKQOWICGEBH-UHFFFAOYSA-N 1 0 310.373 2.830 20 5 DFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413063193 429131541 /nfs/dbraw/zinc/13/15/41/429131541.db2.gz ACILYEYCNUZNPR-UHFFFAOYSA-N 1 0 304.325 2.673 20 5 DFBDRO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369918 429132502 /nfs/dbraw/zinc/13/25/02/429132502.db2.gz GRHHPPGWZFYBFA-LLVKDONJSA-N 1 0 303.387 2.856 20 5 DFBDRO COc1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000487102737 429134879 /nfs/dbraw/zinc/13/48/79/429134879.db2.gz TYKIXLJCHVHEQY-CQSZACIVSA-N 1 0 311.357 2.519 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578594 429140130 /nfs/dbraw/zinc/14/01/30/429140130.db2.gz CCNUIJSQZZHFEX-CHWSQXEVSA-N 1 0 323.418 2.745 20 5 DFBDRO CC1=CC[N@H+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487761866 429166726 /nfs/dbraw/zinc/16/67/26/429166726.db2.gz PAOGJZUNHXXZEY-UHFFFAOYSA-N 1 0 312.373 2.629 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095787 429170106 /nfs/dbraw/zinc/17/01/06/429170106.db2.gz OQHCSRFJBKOBPN-HZPDHXFCSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000301378668 275037113 /nfs/dbraw/zinc/03/71/13/275037113.db2.gz XKVQZUDXRGIBKB-WHOFXGATSA-N 1 0 305.353 2.654 20 5 DFBDRO COc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1[N+](=O)[O-] ZINC000364283023 429174695 /nfs/dbraw/zinc/17/46/95/429174695.db2.gz QSLTXWONFMGAQW-MELADBBJSA-N 1 0 317.389 2.524 20 5 DFBDRO COc1cccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000488750100 429195592 /nfs/dbraw/zinc/19/55/92/429195592.db2.gz NFBIBFAVIVXROZ-VNHYZAJKSA-N 1 0 319.405 2.770 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000364627484 429237129 /nfs/dbraw/zinc/23/71/29/429237129.db2.gz CTNHJWDPKWZFJR-KGLIPLIRSA-N 1 0 318.352 2.893 20 5 DFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000495671667 429242768 /nfs/dbraw/zinc/24/27/68/429242768.db2.gz NJILAFVKPKXANN-GFCCVEGCSA-N 1 0 323.393 2.988 20 5 DFBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000443443115 429251038 /nfs/dbraw/zinc/25/10/38/429251038.db2.gz XRWMOAUDWBILSV-GFCCVEGCSA-N 1 0 312.439 3.364 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443524155 429253746 /nfs/dbraw/zinc/25/37/46/429253746.db2.gz SKINPUOKAGHJIU-TUAOUCFPSA-N 1 0 310.423 2.893 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868628 429266807 /nfs/dbraw/zinc/26/68/07/429266807.db2.gz GUTKGXYQPYWZIY-ZYHUDNBSSA-N 1 0 310.785 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425354824 429273388 /nfs/dbraw/zinc/27/33/88/429273388.db2.gz STNWCPDFIWWCDO-OMVNSRBRSA-N 1 0 313.361 2.537 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437304 429318465 /nfs/dbraw/zinc/31/84/65/429318465.db2.gz LXMSPKOYASBMPM-STQMWFEESA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2c1cnn2C ZINC000449073377 429325830 /nfs/dbraw/zinc/32/58/30/429325830.db2.gz IQEAECMGXJOEJH-DOMZBBRYSA-N 1 0 314.389 2.927 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000449085261 429327419 /nfs/dbraw/zinc/32/74/19/429327419.db2.gz LQJDGATXVXEOFY-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO COC(=O)[C@]1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000504561102 429336189 /nfs/dbraw/zinc/33/61/89/429336189.db2.gz NTVUWLHPOJWVLS-ITDDMNPJSA-N 1 0 318.373 2.739 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000456399424 429297467 /nfs/dbraw/zinc/29/74/67/429297467.db2.gz UUAMILLJSKNSNC-GXFFZTMASA-N 1 0 300.318 2.536 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456400235 429298716 /nfs/dbraw/zinc/29/87/16/429298716.db2.gz VECOPFPCKPLYLB-CBAPKCEASA-N 1 0 306.347 2.597 20 5 DFBDRO COCC(C)(C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000425503696 429312803 /nfs/dbraw/zinc/31/28/03/429312803.db2.gz JPHMLBRHLVRCAQ-AWEZNQCLSA-N 1 0 321.421 2.698 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000365891737 429397864 /nfs/dbraw/zinc/39/78/64/429397864.db2.gz LSBYDOGSDYBGPR-BBRMVZONSA-N 1 0 321.446 2.779 20 5 DFBDRO CC(C)COc1ccccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000449196880 429356984 /nfs/dbraw/zinc/35/69/84/429356984.db2.gz TYOXFXVQJBRUSD-UHFFFAOYSA-N 1 0 318.377 2.616 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000491465600 429362363 /nfs/dbraw/zinc/36/23/63/429362363.db2.gz RWBBDICSFRCMPU-FPLPWBNLSA-N 1 0 317.389 2.551 20 5 DFBDRO Cn1c2ccccc2cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000491488364 429366158 /nfs/dbraw/zinc/36/61/58/429366158.db2.gz WAUHJWLACUHUFZ-UHFFFAOYSA-N 1 0 323.352 2.737 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491533414 429371003 /nfs/dbraw/zinc/37/10/03/429371003.db2.gz PGFANCILRFODJP-KXKDPZRNSA-N 1 0 317.389 2.551 20 5 DFBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000491607540 429379096 /nfs/dbraw/zinc/37/90/96/429379096.db2.gz PETGDZCUWFGPSB-LBPRGKRZSA-N 1 0 324.377 2.767 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000449514986 429439841 /nfs/dbraw/zinc/43/98/41/429439841.db2.gz ZHODMWJPJZEUHT-RDJZCZTQSA-N 1 0 304.390 2.790 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000366341379 429446868 /nfs/dbraw/zinc/44/68/68/429446868.db2.gz TUINMIMYXZWLGY-HNNXBMFYSA-N 1 0 320.389 2.601 20 5 DFBDRO CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000073799693 275699482 /nfs/dbraw/zinc/69/94/82/275699482.db2.gz DGPUWNOSKFBDKN-HNNXBMFYSA-N 1 0 320.393 2.837 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000449638117 429465913 /nfs/dbraw/zinc/46/59/13/429465913.db2.gz JGVNNRXAIJIAOO-QWRGUYRKSA-N 1 0 323.418 2.564 20 5 DFBDRO CC(C)C[C@H](C)C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000518272810 429416574 /nfs/dbraw/zinc/41/65/74/429416574.db2.gz TXRMDCIYTARUAQ-AWEZNQCLSA-N 1 0 306.410 2.794 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NC(C)(C)C[NH+](C)C ZINC000457243782 429432038 /nfs/dbraw/zinc/43/20/38/429432038.db2.gz QAXYRBNIQDOOOQ-AWEZNQCLSA-N 1 0 321.421 2.620 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427130307 429433460 /nfs/dbraw/zinc/43/34/60/429433460.db2.gz GYUDTHHARVYGQD-GDBMZVCRSA-N 1 0 303.406 2.902 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449499162 429434619 /nfs/dbraw/zinc/43/46/19/429434619.db2.gz SXMYHXKULGUBDK-SWLSCSKDSA-N 1 0 308.378 2.850 20 5 DFBDRO Cn1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000449499989 429435328 /nfs/dbraw/zinc/43/53/28/429435328.db2.gz MYRZXMFCXPEWGB-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427896080 429477217 /nfs/dbraw/zinc/47/72/17/429477217.db2.gz VAFSKIGYLVYCBZ-TZMCWYRMSA-N 1 0 300.362 2.765 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)C1CCSCC1 ZINC000449689082 429481295 /nfs/dbraw/zinc/48/12/95/429481295.db2.gz XQSJYOILSREPRV-HYXAFXHYSA-N 1 0 322.430 2.798 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@@H](C)C1 ZINC000519732762 429483059 /nfs/dbraw/zinc/48/30/59/429483059.db2.gz UWRNYGNWFGONRM-GXTWGEPZSA-N 1 0 306.410 2.773 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000519824182 429491781 /nfs/dbraw/zinc/49/17/81/429491781.db2.gz SOZNLOSGNHTAFK-LSDHHAIUSA-N 1 0 322.405 2.893 20 5 DFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449770696 429504976 /nfs/dbraw/zinc/50/49/76/429504976.db2.gz DNSWPULUXGGVCR-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1OC ZINC000428457729 429524248 /nfs/dbraw/zinc/52/42/48/429524248.db2.gz MZSILEQJTJUKPM-AAEUAGOBSA-N 1 0 306.362 2.986 20 5 DFBDRO CC(C)C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000520703358 429524574 /nfs/dbraw/zinc/52/45/74/429524574.db2.gz HLYVATOWRSNGLV-BBRMVZONSA-N 1 0 321.421 2.791 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000942 429568583 /nfs/dbraw/zinc/56/85/83/429568583.db2.gz GIMPQATWAIFBSJ-RVKKMQEKSA-N 1 0 317.433 2.799 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c([N+](=O)[O-])cc1F ZINC000367071937 429571832 /nfs/dbraw/zinc/57/18/32/429571832.db2.gz DDHLTSCTIMQLNL-INIZCTEOSA-N 1 0 324.352 2.745 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030759 429573731 /nfs/dbraw/zinc/57/37/31/429573731.db2.gz SPOVLGZNLIDALD-JKIFEVAISA-N 1 0 303.406 2.757 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035344 429576022 /nfs/dbraw/zinc/57/60/22/429576022.db2.gz LQESGOSDBQWBIK-IGCXYCKISA-N 1 0 321.396 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2NC2CC[NH+](C3CC3)CC2)c1 ZINC000450233944 429584083 /nfs/dbraw/zinc/58/40/83/429584083.db2.gz QKYVTUJPVQJHNB-UHFFFAOYSA-N 1 0 312.373 3.182 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492645509 429586043 /nfs/dbraw/zinc/58/60/43/429586043.db2.gz MOXPXKQYAYYMGO-HJWRWDBZSA-N 1 0 317.389 2.552 20 5 DFBDRO CC1CC[NH+](CC2CCN(c3ncc([N+](=O)[O-])s3)CC2)CC1 ZINC000367153396 429586295 /nfs/dbraw/zinc/58/62/95/429586295.db2.gz MLZCNRNMZPGJRM-UHFFFAOYSA-N 1 0 324.450 3.000 20 5 DFBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367307457 429617745 /nfs/dbraw/zinc/61/77/45/429617745.db2.gz IJSVEJOAHARCOY-CXMBCZLWSA-N 1 0 314.341 2.740 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429569608 429619099 /nfs/dbraw/zinc/61/90/99/429619099.db2.gz UAZYXMGPRWNMSL-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573956 429619358 /nfs/dbraw/zinc/61/93/58/429619358.db2.gz ONTKWMBSBBRWOC-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3=CCCCC3)C2)nc1 ZINC000450565577 429650675 /nfs/dbraw/zinc/65/06/75/429650675.db2.gz JMIJGUZBSOEKFM-AWEZNQCLSA-N 1 0 302.378 2.976 20 5 DFBDRO C[C@@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[NH+](C)C ZINC000450276146 429591736 /nfs/dbraw/zinc/59/17/36/429591736.db2.gz HSBWRWKXWRILPR-JTQLQIEISA-N 1 0 306.391 3.080 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450305331 429596566 /nfs/dbraw/zinc/59/65/66/429596566.db2.gz PXCBUUXDFQXDLM-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450329290 429601649 /nfs/dbraw/zinc/60/16/49/429601649.db2.gz QLLGDYHVVWGDBQ-NSHDSACASA-N 1 0 318.402 2.859 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450334532 429603296 /nfs/dbraw/zinc/60/32/96/429603296.db2.gz SRPDEZUGMUEREC-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C(C)(C)C[NH+](C)C ZINC000450347325 429606380 /nfs/dbraw/zinc/60/63/80/429606380.db2.gz HPHIQQSAOIKYPX-GFCCVEGCSA-N 1 0 316.405 3.531 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000492750377 429606486 /nfs/dbraw/zinc/60/64/86/429606486.db2.gz QKXKDJIUFFZPEI-QWHCGFSZSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOC(=O)CN(Cc1ccc([N+](=O)[O-])c(OCC)c1)C(C)C ZINC000492750368 429607627 /nfs/dbraw/zinc/60/76/27/429607627.db2.gz QKHWUZURWQTRHG-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000429535924 429613933 /nfs/dbraw/zinc/61/39/33/429613933.db2.gz AKSPVRFYXBCECG-OAHLLOKOSA-N 1 0 321.421 2.704 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000430204975 429662658 /nfs/dbraw/zinc/66/26/58/429662658.db2.gz SYEKEBBAHXPVKH-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000430219535 429665628 /nfs/dbraw/zinc/66/56/28/429665628.db2.gz OBSZWKMKZIFIKV-WBMJQRKESA-N 1 0 308.378 2.586 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2ncc(C)cc2[N+](=O)[O-])CC1 ZINC000361264606 276095775 /nfs/dbraw/zinc/09/57/75/276095775.db2.gz IXRZUBNESBADTE-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO C[N@H+](CCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000493021354 429670505 /nfs/dbraw/zinc/67/05/05/429670505.db2.gz MEWLIUMCNRXLBD-DHZHZOJOSA-N 1 0 317.389 2.599 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000290506741 276231267 /nfs/dbraw/zinc/23/12/67/276231267.db2.gz GMPPWKXJBDJKSR-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO CCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000493113071 429691048 /nfs/dbraw/zinc/69/10/48/429691048.db2.gz FUWDRESPXBQUTD-CDNLZTBQSA-N 1 0 317.389 2.599 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@H](C)C1 ZINC000526053228 429697966 /nfs/dbraw/zinc/69/79/66/429697966.db2.gz ZGLIZODSIHXVJA-QTNMRXCUSA-N 1 0 303.406 2.930 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704016 429703448 /nfs/dbraw/zinc/70/34/48/429703448.db2.gz OJIGNIJTVRRYCK-CSPWOOARSA-N 1 0 312.373 2.831 20 5 DFBDRO CN(CCC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)c1cc[nH+]cc1 ZINC000526934073 429709475 /nfs/dbraw/zinc/70/94/75/429709475.db2.gz ODKOKMVKXJFGQR-UHFFFAOYSA-N 1 0 318.308 2.594 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183029960 276420270 /nfs/dbraw/zinc/42/02/70/276420270.db2.gz GPXCVUMCXSXGBF-NEPJUHHUSA-N 1 0 305.378 2.508 20 5 DFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@H]1CC[NH2+]C1 ZINC000430924991 429725666 /nfs/dbraw/zinc/72/56/66/429725666.db2.gz JNSPSAKOKVUDFX-INIZCTEOSA-N 1 0 321.421 2.956 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@@H]3Cc4ccccc43)C2)c1 ZINC000367868150 429733734 /nfs/dbraw/zinc/73/37/34/429733734.db2.gz ANSBBSXXXQTXAR-GJZGRUSLSA-N 1 0 312.373 2.768 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000450959568 429737657 /nfs/dbraw/zinc/73/76/57/429737657.db2.gz YUYAWRABADUEKB-SNVBAGLBSA-N 1 0 321.406 2.518 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451231594 429791495 /nfs/dbraw/zinc/79/14/95/429791495.db2.gz QSOKIZXJKQRXRG-RISCZKNCSA-N 1 0 324.352 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000451411329 429824310 /nfs/dbraw/zinc/82/43/10/429824310.db2.gz DWTSHRQLUHOXSS-GVDBMIGSSA-N 1 0 320.389 2.599 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000493759947 429825412 /nfs/dbraw/zinc/82/54/12/429825412.db2.gz RWPAHYWCCYVULX-BQYQJAHWSA-N 1 0 317.389 2.599 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000451415257 429826429 /nfs/dbraw/zinc/82/64/29/429826429.db2.gz FNSQPUCKWDJPME-IIAWOOMASA-N 1 0 320.389 2.729 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451469334 429831427 /nfs/dbraw/zinc/83/14/27/429831427.db2.gz MCDOTQTYEQQYCP-BPLDGKMQSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451466971 429831750 /nfs/dbraw/zinc/83/17/50/429831750.db2.gz IUEPGFHJYHRRPX-NILFDRSVSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451492288 429835610 /nfs/dbraw/zinc/83/56/10/429835610.db2.gz CSUSQYURWBXZAB-VCTAVGKDSA-N 1 0 308.378 2.753 20 5 DFBDRO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451545088 429849115 /nfs/dbraw/zinc/84/91/15/429849115.db2.gz NSIJYIAYUGLUSM-GWCFXTLKSA-N 1 0 305.334 2.593 20 5 DFBDRO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547645 429850561 /nfs/dbraw/zinc/85/05/61/429850561.db2.gz LHORIPSNIGVEBJ-ZFWWWQNUSA-N 1 0 319.405 2.689 20 5 DFBDRO CCO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552855 429852014 /nfs/dbraw/zinc/85/20/14/429852014.db2.gz ZEOQDASIIOMTIE-DZGCQCFKSA-N 1 0 308.378 2.721 20 5 DFBDRO Nc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451552129 429852023 /nfs/dbraw/zinc/85/20/23/429852023.db2.gz VSDRTXUBXFOONI-HNNXBMFYSA-N 1 0 312.373 2.952 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000451598828 429860919 /nfs/dbraw/zinc/86/09/19/429860919.db2.gz PFFAHBYWYBYVAL-PBHICJAKSA-N 1 0 324.421 2.982 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)o2)cc1 ZINC000368800535 429895289 /nfs/dbraw/zinc/89/52/89/429895289.db2.gz PGAHUVWSZPQIKI-MRXNPFEDSA-N 1 0 314.341 2.812 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)o1 ZINC000368801150 429895457 /nfs/dbraw/zinc/89/54/57/429895457.db2.gz WJMLZJLZUWZNLH-MRXNPFEDSA-N 1 0 314.341 2.812 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3nccn3C2)c1 ZINC000368846988 429898571 /nfs/dbraw/zinc/89/85/71/429898571.db2.gz VNVWAMNEQCLANC-NSHDSACASA-N 1 0 306.753 2.549 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000494409928 429871111 /nfs/dbraw/zinc/87/11/11/429871111.db2.gz IDIDEFYUSBHIBH-NSHDSACASA-N 1 0 306.753 2.549 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cn2c(n1)CCCC2 ZINC000369365921 429932118 /nfs/dbraw/zinc/93/21/18/429932118.db2.gz HXYNRADEKHHKBK-UHFFFAOYSA-N 1 0 314.389 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1 ZINC000369458792 429948893 /nfs/dbraw/zinc/94/88/93/429948893.db2.gz RNHPLZNXLCOOHT-CVEARBPZSA-N 1 0 306.362 2.617 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000369459077 429949149 /nfs/dbraw/zinc/94/91/49/429949149.db2.gz UGFSVHHKRCRENS-CZUORRHYSA-N 1 0 306.362 2.747 20 5 DFBDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000559978897 430018353 /nfs/dbraw/zinc/01/83/53/430018353.db2.gz ALUPKIOYYLFSGV-AWEZNQCLSA-N 1 0 302.378 2.663 20 5 DFBDRO C[NH+](C)C1(CNc2nc3c(cc2[N+](=O)[O-])CCCC3)CCC1 ZINC000574273039 430026533 /nfs/dbraw/zinc/02/65/33/430026533.db2.gz HNMPWJLZVIKDPC-UHFFFAOYSA-N 1 0 304.394 2.765 20 5 DFBDRO CCC(CC)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000561769215 430099819 /nfs/dbraw/zinc/09/98/19/430099819.db2.gz LRQJPICZYMWYJU-HNNXBMFYSA-N 1 0 322.405 2.988 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000561988113 430104483 /nfs/dbraw/zinc/10/44/83/430104483.db2.gz SBNLQBHVXRUFMJ-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO C[NH+](C)Cc1ccccc1NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000561106984 430076859 /nfs/dbraw/zinc/07/68/59/430076859.db2.gz JLYHAXVRYFMSSK-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCO[C@H]1CCCCO1)C2 ZINC000562748106 430176509 /nfs/dbraw/zinc/17/65/09/430176509.db2.gz SHXMVTBFNUHKPZ-KRWDZBQOSA-N 1 0 320.389 2.886 20 5 DFBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000562399640 430128663 /nfs/dbraw/zinc/12/86/63/430128663.db2.gz QDWDWUUTKUGRIB-UHFFFAOYSA-N 1 0 307.394 2.885 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291712592 277045147 /nfs/dbraw/zinc/04/51/47/277045147.db2.gz VRARICQMQMXCRN-CYBMUJFWSA-N 1 0 315.373 2.784 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000301804215 277084449 /nfs/dbraw/zinc/08/44/49/277084449.db2.gz VGOXQSLDJIZSFC-IINYFYTJSA-N 1 0 311.332 2.794 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]21 ZINC000581360423 430200100 /nfs/dbraw/zinc/20/01/00/430200100.db2.gz DHDSMTFHGHRIII-NILFDRSVSA-N 1 0 312.373 2.707 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000581499222 430216149 /nfs/dbraw/zinc/21/61/49/430216149.db2.gz XOLUDVMAOCYLIM-CYBMUJFWSA-N 1 0 322.409 2.555 20 5 DFBDRO CCC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544529329 430284983 /nfs/dbraw/zinc/28/49/83/430284983.db2.gz LUVLMUOTKZSWBW-HOCLYGCPSA-N 1 0 322.405 2.989 20 5 DFBDRO C[NH2+]CCC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000582122472 430270837 /nfs/dbraw/zinc/27/08/37/430270837.db2.gz PLYAWCBTALHGRO-UHFFFAOYSA-N 1 0 318.421 2.695 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000566679583 430271169 /nfs/dbraw/zinc/27/11/69/430271169.db2.gz ZNSVULKIQOBUAM-WDEREUQCSA-N 1 0 318.352 3.334 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH2+]C2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000544410899 430281080 /nfs/dbraw/zinc/28/10/80/430281080.db2.gz FKGUPWGDRPEFSN-NSHDSACASA-N 1 0 303.362 2.762 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582503767 430306912 /nfs/dbraw/zinc/30/69/12/430306912.db2.gz UBLQQFSWSJUKQI-BBRMVZONSA-N 1 0 319.405 2.689 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCO1 ZINC000582569314 430311912 /nfs/dbraw/zinc/31/19/12/430311912.db2.gz IMRJGRKWGWFWKW-MEDUHNTESA-N 1 0 303.362 2.776 20 5 DFBDRO COC[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000278609072 277591267 /nfs/dbraw/zinc/59/12/67/277591267.db2.gz BBHKFHFMELNOGO-WFASDCNBSA-N 1 0 308.378 2.568 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000568643242 430378093 /nfs/dbraw/zinc/37/80/93/430378093.db2.gz HXPIZRPLOMMZBM-JSGCOSHPSA-N 1 0 307.394 2.694 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641519 277624099 /nfs/dbraw/zinc/62/40/99/277624099.db2.gz CMJYYDOULYTPRD-LLVKDONJSA-N 1 0 314.345 2.936 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000569258535 430436604 /nfs/dbraw/zinc/43/66/04/430436604.db2.gz GMJAOMXTKFSBEY-YOEHRIQHSA-N 1 0 312.369 2.775 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000583907754 430438906 /nfs/dbraw/zinc/43/89/06/430438906.db2.gz KMBOUSVMPQXVMK-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584106128 430458975 /nfs/dbraw/zinc/45/89/75/430458975.db2.gz PWABLPHEFLUPCC-QWHCGFSZSA-N 1 0 307.394 2.543 20 5 DFBDRO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569659260 430473839 /nfs/dbraw/zinc/47/38/39/430473839.db2.gz CJTDPJOAPGTOEI-ZFWWWQNUSA-N 1 0 319.405 2.641 20 5 DFBDRO CC1(C)c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000552678508 430600705 /nfs/dbraw/zinc/60/07/05/430600705.db2.gz PAUFMWVSGFNMAN-UHFFFAOYSA-N 1 0 300.362 2.585 20 5 DFBDRO COc1cccc(N2CCC[N@H+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000368362350 278015626 /nfs/dbraw/zinc/01/56/26/278015626.db2.gz QMPPJGKKTPXLEG-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000572529868 430689822 /nfs/dbraw/zinc/68/98/22/430689822.db2.gz XOXTZBHMAJMHAB-UHFFFAOYSA-N 1 0 322.361 2.567 20 5 DFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192719029 278251989 /nfs/dbraw/zinc/25/19/89/278251989.db2.gz MDUANDWTBSUZDT-LRDDRELGSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185520274 278255312 /nfs/dbraw/zinc/25/53/12/278255312.db2.gz VDBRPQFHJAEKQB-ZDUSSCGKSA-N 1 0 320.393 2.981 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186687982 278564749 /nfs/dbraw/zinc/56/47/49/278564749.db2.gz PFABZTAGENGXBD-SKDRFNHKSA-N 1 0 319.386 2.537 20 5 DFBDRO [NH3+][C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[C@H]1F ZINC000659389062 431048347 /nfs/dbraw/zinc/04/83/47/431048347.db2.gz HNZGPGXMUDSGPX-IAGOWNOFSA-N 1 0 323.371 2.899 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000024801404 278912422 /nfs/dbraw/zinc/91/24/22/278912422.db2.gz LGPHVVNIOHWCKT-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000194804902 278931619 /nfs/dbraw/zinc/93/16/19/278931619.db2.gz LYEGHJNNLWEJTA-STQMWFEESA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374497731 288091027 /nfs/dbraw/zinc/09/10/27/288091027.db2.gz RQZQIRDXUWAOGN-BHYGNILZSA-N 1 0 320.389 2.974 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189716162 279295364 /nfs/dbraw/zinc/29/53/64/279295364.db2.gz OUVMWPZLZWMZNQ-CQSZACIVSA-N 1 0 319.405 2.932 20 5 DFBDRO Cc1cc(N2CCn3cncc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290711573 280582511 /nfs/dbraw/zinc/58/25/11/280582511.db2.gz OILZQYYCCWKLKU-UHFFFAOYSA-N 1 0 309.329 2.668 20 5 DFBDRO Cc1ccc(N2CC[NH+]([C@H]3CCSC3)CC2)c([N+](=O)[O-])c1 ZINC000378184049 280876464 /nfs/dbraw/zinc/87/64/64/280876464.db2.gz NOGOAAQTUNDAHY-ZDUSSCGKSA-N 1 0 307.419 2.531 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@H]3C)CC2)n1 ZINC000378213450 281010545 /nfs/dbraw/zinc/01/05/45/281010545.db2.gz WRRDSCMXRXSATL-CYBMUJFWSA-N 1 0 304.394 2.751 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153908057 288313927 /nfs/dbraw/zinc/31/39/27/288313927.db2.gz RDILYYZAFYHUCI-NWDGAFQWSA-N 1 0 310.785 2.706 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415732547 289127566 /nfs/dbraw/zinc/12/75/66/289127566.db2.gz AKNSLVVTIJETKC-VXGBXAGGSA-N 1 0 306.366 2.549 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415756455 289131306 /nfs/dbraw/zinc/13/13/06/289131306.db2.gz FAYQHYHTEPNFQJ-NHYWBVRUSA-N 1 0 320.393 2.891 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415756452 289131322 /nfs/dbraw/zinc/13/13/22/289131322.db2.gz FAYQHYHTEPNFQJ-IAQYHMDHSA-N 1 0 320.393 2.891 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415762343 289131739 /nfs/dbraw/zinc/13/17/39/289131739.db2.gz MVPFRXBDKLKTRM-AWEZNQCLSA-N 1 0 318.377 2.515 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415769926 289133927 /nfs/dbraw/zinc/13/39/27/289133927.db2.gz XSNOWBPOXPEEBN-BDJLRTHQSA-N 1 0 320.393 2.606 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278729942 293165643 /nfs/dbraw/zinc/16/56/43/293165643.db2.gz JBGUMXLKSCADKB-INWMFGNUSA-N 1 0 308.378 2.748 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437101136 297054632 /nfs/dbraw/zinc/05/46/32/297054632.db2.gz CHPMLIYBUDAABZ-LBPRGKRZSA-N 1 0 323.393 2.717 20 5 DFBDRO NC(=O)C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182018484 295051786 /nfs/dbraw/zinc/05/17/86/295051786.db2.gz MRXXPVHVRJLBRR-MRXNPFEDSA-N 1 0 319.405 2.551 20 5 DFBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000364198823 295336612 /nfs/dbraw/zinc/33/66/12/295336612.db2.gz GRHWAKNDHVYNHX-ZFWWWQNUSA-N 1 0 323.780 2.592 20 5 DFBDRO Cc1cc(N(C)C2CC([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000395133302 295482449 /nfs/dbraw/zinc/48/24/49/295482449.db2.gz DTLDMOBCVOAJKR-UHFFFAOYSA-N 1 0 314.183 2.592 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000397758813 295488425 /nfs/dbraw/zinc/48/84/25/295488425.db2.gz HKUTVTPVYKFUBQ-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000438486807 297095283 /nfs/dbraw/zinc/09/52/83/297095283.db2.gz ZDYAFSXIFQYABA-LBPRGKRZSA-N 1 0 321.377 2.520 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000438513536 297096706 /nfs/dbraw/zinc/09/67/06/297096706.db2.gz ZXPYNXLPMLVMMB-QWHCGFSZSA-N 1 0 305.378 2.900 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441293818 297179369 /nfs/dbraw/zinc/17/93/69/297179369.db2.gz MVLNKMINPAIQFZ-HZPDHXFCSA-N 1 0 304.390 2.886 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000443002759 297213040 /nfs/dbraw/zinc/21/30/40/297213040.db2.gz AWXLFQHSEIIUDR-NSHDSACASA-N 1 0 320.345 2.988 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000444271221 297234712 /nfs/dbraw/zinc/23/47/12/297234712.db2.gz UJJZICQVGIZOLV-CYBMUJFWSA-N 1 0 319.405 2.764 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444685560 297245041 /nfs/dbraw/zinc/24/50/41/297245041.db2.gz ALCREZISOUMNIC-MRXNPFEDSA-N 1 0 318.377 2.598 20 5 DFBDRO C[N@H+](CCc1ccncc1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444686991 297245128 /nfs/dbraw/zinc/24/51/28/297245128.db2.gz FMWWZMSGYXUTTB-UHFFFAOYSA-N 1 0 311.345 2.541 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444777705 297251122 /nfs/dbraw/zinc/25/11/22/297251122.db2.gz UCNGLPPHWGGPBF-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO COCCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529926 297307048 /nfs/dbraw/zinc/30/70/48/297307048.db2.gz NCTXRBQPLAXYDU-UONOGXRCSA-N 1 0 310.398 2.681 20 5 DFBDRO Cc1ncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447543507 297307649 /nfs/dbraw/zinc/30/76/49/297307649.db2.gz RMQMZSVVJUGJBM-QWHCGFSZSA-N 1 0 321.406 2.830 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOC2CCCC2)n1 ZINC000447550475 297308140 /nfs/dbraw/zinc/30/81/40/297308140.db2.gz NHCHEUDDSDJIIA-HUUCEWRRSA-N 1 0 322.409 2.824 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cscn2)n1 ZINC000447559587 297308346 /nfs/dbraw/zinc/30/83/46/297308346.db2.gz AASRSEWFTYDUGU-RYUDHWBXSA-N 1 0 307.379 2.521 20 5 DFBDRO CCOCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447563782 297308701 /nfs/dbraw/zinc/30/87/01/297308701.db2.gz SKKGPOYVPCPWGH-KBPBESRZSA-N 1 0 310.398 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccncc2)n1 ZINC000447575448 297308935 /nfs/dbraw/zinc/30/89/35/297308935.db2.gz SPXWMAACQBTYDZ-GJZGRUSLSA-N 1 0 315.377 2.502 20 5 DFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583721 297309675 /nfs/dbraw/zinc/30/96/75/297309675.db2.gz CLXYHYCMZHAJBF-CBBWQLFWSA-N 1 0 322.409 2.680 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CCSC1 ZINC000448022931 297329688 /nfs/dbraw/zinc/32/96/88/297329688.db2.gz QQDSCMHSSMAVNO-VXGBXAGGSA-N 1 0 323.418 2.655 20 5 DFBDRO CCn1nnc(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449177172 297418035 /nfs/dbraw/zinc/41/80/35/297418035.db2.gz VAFHPCOBMLZOQF-UHFFFAOYSA-N 1 0 317.393 2.627 20 5 DFBDRO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449181666 297418648 /nfs/dbraw/zinc/41/86/48/297418648.db2.gz IEXBITGBENUKMR-SMDDNHRTSA-N 1 0 315.377 2.550 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000449309372 297442546 /nfs/dbraw/zinc/44/25/46/297442546.db2.gz DHWPLYVYYGPUOX-WFASDCNBSA-N 1 0 314.389 2.927 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340125 297449704 /nfs/dbraw/zinc/44/97/04/297449704.db2.gz MSAMNYHPNDSBOB-UONOGXRCSA-N 1 0 321.421 2.668 20 5 DFBDRO CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449373790 297455672 /nfs/dbraw/zinc/45/56/72/297455672.db2.gz CUAQZONTRVVLJW-SWLSCSKDSA-N 1 0 323.393 2.717 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449442517 297468257 /nfs/dbraw/zinc/46/82/57/297468257.db2.gz ZKIDCHVUHOPRMV-BBRMVZONSA-N 1 0 321.421 2.618 20 5 DFBDRO CCCN(CCC[NH+](C)C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450478129 297638756 /nfs/dbraw/zinc/63/87/56/297638756.db2.gz ZMFKCRICJPORJD-UHFFFAOYSA-N 1 0 305.382 2.639 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451473816 297811094 /nfs/dbraw/zinc/81/10/94/297811094.db2.gz PLSNLCJZAIYDTE-JKSUJKDBSA-N 1 0 320.389 2.911 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000451506373 297819283 /nfs/dbraw/zinc/81/92/83/297819283.db2.gz VPCSROBVDZTOMK-COLVAYQJSA-N 1 0 308.378 2.753 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000451585746 297839920 /nfs/dbraw/zinc/83/99/20/297839920.db2.gz DOMYGADFAKBINP-YUTCNCBUSA-N 1 0 306.362 2.977 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000453115234 298063449 /nfs/dbraw/zinc/06/34/49/298063449.db2.gz WVHMBNKRVKMSLE-GJZGRUSLSA-N 1 0 306.362 2.651 20 5 DFBDRO CCC[C@H]([NH2+]CC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453258116 298077213 /nfs/dbraw/zinc/07/72/13/298077213.db2.gz OBNNWBFGCVCEOM-HOTGVXAUSA-N 1 0 310.394 2.813 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453371920 298087742 /nfs/dbraw/zinc/08/77/42/298087742.db2.gz YNMZKVYUVBPRHW-SJCJKPOMSA-N 1 0 314.389 2.927 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000453429516 298094752 /nfs/dbraw/zinc/09/47/52/298094752.db2.gz IIMSTROHFDRLIF-GUTXKFCHSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000454144177 298126250 /nfs/dbraw/zinc/12/62/50/298126250.db2.gz JOLINSZKTAFOPG-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000454198624 298134378 /nfs/dbraw/zinc/13/43/78/298134378.db2.gz LYLKJTTVYHNSCR-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454357735 298161490 /nfs/dbraw/zinc/16/14/90/298161490.db2.gz OWQOOCHJHUDZSW-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455327893 298339981 /nfs/dbraw/zinc/33/99/81/298339981.db2.gz IBQXYZQXAZDZGH-ZDUSSCGKSA-N 1 0 324.356 2.682 20 5 DFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)CC[N@@H+]1CCOC ZINC000499656786 300203156 /nfs/dbraw/zinc/20/31/56/300203156.db2.gz WSNYGPZIYRDWLQ-MRXNPFEDSA-N 1 0 321.421 2.840 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2CCCCCC2)c1 ZINC000515234913 300297080 /nfs/dbraw/zinc/29/70/80/300297080.db2.gz OUPDTZGTINJZEP-MRXNPFEDSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000294991091 300302291 /nfs/dbraw/zinc/30/22/91/300302291.db2.gz QRNQNELFMVAXGG-SNVBAGLBSA-N 1 0 310.785 2.564 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000515366348 300303257 /nfs/dbraw/zinc/30/32/57/300303257.db2.gz PXBMRHZFXZEHOJ-OHUAYANFSA-N 1 0 303.362 2.774 20 5 DFBDRO CSC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCC1 ZINC000515637734 300315645 /nfs/dbraw/zinc/31/56/45/300315645.db2.gz DDUXJKPQAHMAQY-UHFFFAOYSA-N 1 0 323.418 2.799 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516575504 300349660 /nfs/dbraw/zinc/34/96/60/300349660.db2.gz TYGBHXDGZUMAQI-LRDDRELGSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000518773282 300432453 /nfs/dbraw/zinc/43/24/53/300432453.db2.gz FUIFEPUGVXIIGA-QWRGUYRKSA-N 1 0 307.394 2.748 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000519555776 300458603 /nfs/dbraw/zinc/45/86/03/300458603.db2.gz RRWWTCNQEYRKKN-IINYFYTJSA-N 1 0 321.377 2.709 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519737831 300473187 /nfs/dbraw/zinc/47/31/87/300473187.db2.gz MPQDOWCIDZDKFR-CHWSQXEVSA-N 1 0 307.394 2.545 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000531104774 301079766 /nfs/dbraw/zinc/07/97/66/301079766.db2.gz ZSSPHANNHJWZGH-UONOGXRCSA-N 1 0 314.389 2.954 20 5 DFBDRO C[C@@H]1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983648 301123445 /nfs/dbraw/zinc/12/34/45/301123445.db2.gz KDQUUMRHZMRHOM-RHSMWYFYSA-N 1 0 317.433 2.847 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000532024951 301125749 /nfs/dbraw/zinc/12/57/49/301125749.db2.gz QQKUUFDHXGXKTH-KBPBESRZSA-N 1 0 318.373 2.998 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H](C)N1CCOCC1 ZINC000532485013 301155347 /nfs/dbraw/zinc/15/53/47/301155347.db2.gz DODCSYHNQZNIAJ-ILXRZTDVSA-N 1 0 321.421 2.663 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000532971900 301179408 /nfs/dbraw/zinc/17/94/08/301179408.db2.gz MXFGQOBJMMZJEP-NWDGAFQWSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H]1CCC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000537810109 301312205 /nfs/dbraw/zinc/31/22/05/301312205.db2.gz HKNAINLQXUZKRC-HUUCEWRRSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000537824117 301312256 /nfs/dbraw/zinc/31/22/56/301312256.db2.gz YJNADQLFMLAYJT-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000539086251 301337804 /nfs/dbraw/zinc/33/78/04/301337804.db2.gz DPZOTHLIUOOKJJ-WFASDCNBSA-N 1 0 305.378 2.563 20 5 DFBDRO COc1cc(C[NH2+][C@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000541981025 301404860 /nfs/dbraw/zinc/40/48/60/301404860.db2.gz KGVQLZKHYWHEKB-CQSZACIVSA-N 1 0 308.378 2.634 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000556258105 301790782 /nfs/dbraw/zinc/79/07/82/301790782.db2.gz YPFODBLLBXKMHQ-DDTOSNHZSA-N 1 0 309.341 2.792 20 5 DFBDRO CC(C)(CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000562999833 302023493 /nfs/dbraw/zinc/02/34/93/302023493.db2.gz GNPHNUCDJWGFFG-CQSZACIVSA-N 1 0 322.405 2.750 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1nccn1C(F)F ZINC000563415636 302069750 /nfs/dbraw/zinc/06/97/50/302069750.db2.gz FAYSHLOPHHKOGD-LLVKDONJSA-N 1 0 308.288 2.964 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000563773766 302097128 /nfs/dbraw/zinc/09/71/28/302097128.db2.gz ZNASTAALWQKAFJ-QKVFXAPYSA-N 1 0 310.419 2.855 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3ccncc3)C2)c1 ZINC000564156433 302121168 /nfs/dbraw/zinc/12/11/68/302121168.db2.gz VHMLXGSHLKPCTA-HNNXBMFYSA-N 1 0 313.357 2.858 20 5 DFBDRO Cc1ccccc1[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000271986265 302135892 /nfs/dbraw/zinc/13/58/92/302135892.db2.gz FMGOTXXJXFUEML-INIZCTEOSA-N 1 0 300.362 2.841 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000565463285 302226139 /nfs/dbraw/zinc/22/61/39/302226139.db2.gz NZKBPMWWERBBBS-WOSRLPQWSA-N 1 0 308.378 2.605 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473495 302290557 /nfs/dbraw/zinc/29/05/57/302290557.db2.gz BNOGYLNJMBOZCO-CZUORRHYSA-N 1 0 303.406 2.904 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000566737102 302308250 /nfs/dbraw/zinc/30/82/50/302308250.db2.gz FMNYGFCIZBMCIS-JSGCOSHPSA-N 1 0 319.405 2.953 20 5 DFBDRO CC(C)[C@H](CO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566788690 302311981 /nfs/dbraw/zinc/31/19/81/302311981.db2.gz MYVDZKHSOBXSHW-HOTGVXAUSA-N 1 0 306.406 2.770 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567879249 302395842 /nfs/dbraw/zinc/39/58/42/302395842.db2.gz OMPWULWDXFTRBF-DGCLKSJQSA-N 1 0 304.394 2.798 20 5 DFBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570291589 302566616 /nfs/dbraw/zinc/56/66/16/302566616.db2.gz IFQNOIBECHVQNF-BONVTDFDSA-N 1 0 300.362 2.975 20 5 DFBDRO O=[N+]([O-])c1cnccc1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000357051712 304798319 /nfs/dbraw/zinc/79/83/19/304798319.db2.gz PXXBSWRIYROLMF-INIZCTEOSA-N 1 0 312.373 2.661 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000261741348 304807186 /nfs/dbraw/zinc/80/71/86/304807186.db2.gz MSNRPMLZPOSCHT-QGZVFWFLSA-N 1 0 315.348 2.880 20 5 DFBDRO COCC(C)(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000179184339 316002238 /nfs/dbraw/zinc/00/22/38/316002238.db2.gz JGEVZMKOTBYVEV-UHFFFAOYSA-N 1 0 305.334 2.764 20 5 DFBDRO COCCO[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000179359987 316008077 /nfs/dbraw/zinc/00/80/77/316008077.db2.gz WDCGVDQCJTXBDS-CJNGLKHVSA-N 1 0 308.378 2.783 20 5 DFBDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000180911185 316045039 /nfs/dbraw/zinc/04/50/39/316045039.db2.gz SJJPLCSCEBDYQU-UHFFFAOYSA-N 1 0 314.773 2.664 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181936525 316077922 /nfs/dbraw/zinc/07/79/22/316077922.db2.gz UHVNUVGRAIAWMH-GJZGRUSLSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)C1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181916323 316078601 /nfs/dbraw/zinc/07/86/01/316078601.db2.gz GRXNDHMPYSJRCN-OAHLLOKOSA-N 1 0 322.405 2.703 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCCC1 ZINC000182194844 316089023 /nfs/dbraw/zinc/08/90/23/316089023.db2.gz LBKZDUKXPMJVQK-OAHLLOKOSA-N 1 0 322.405 2.989 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182295293 316094348 /nfs/dbraw/zinc/09/43/48/316094348.db2.gz VMCKNWKPJMQNDM-ZFWWWQNUSA-N 1 0 324.377 2.529 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182942376 316124589 /nfs/dbraw/zinc/12/45/89/316124589.db2.gz MCAMLKNJZOJOKE-XJKSGUPXSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCn1ccnc1)C1CC1 ZINC000182969643 316125383 /nfs/dbraw/zinc/12/53/83/316125383.db2.gz MRECXKAAZHXOAF-UHFFFAOYSA-N 1 0 300.362 2.846 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)Cc1ccccc1 ZINC000183227135 316134198 /nfs/dbraw/zinc/13/41/98/316134198.db2.gz PYWHOVURPUTEJG-UHFFFAOYSA-N 1 0 300.358 2.898 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000414565681 316631783 /nfs/dbraw/zinc/63/17/83/316631783.db2.gz FHDHTRYDBOIENY-JSGCOSHPSA-N 1 0 308.378 2.634 20 5 DFBDRO CC(C)[C@H]([NH3+])CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414793604 316659874 /nfs/dbraw/zinc/65/98/74/316659874.db2.gz KXCODWHTYAYZAX-CQSZACIVSA-N 1 0 303.362 2.928 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000435272799 316925189 /nfs/dbraw/zinc/92/51/89/316925189.db2.gz SZOSRTFVBBPWMG-USJBSMOHSA-N 1 0 318.373 2.929 20 5 DFBDRO CC1(C)CCCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000446063671 317001062 /nfs/dbraw/zinc/00/10/62/317001062.db2.gz YZQWHZZYSZTGBE-UHFFFAOYSA-N 1 0 305.378 2.706 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000446496490 317013453 /nfs/dbraw/zinc/01/34/53/317013453.db2.gz DQZSJROMEDCKIQ-UHFFFAOYSA-N 1 0 308.382 2.755 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncn1 ZINC000453200620 317168148 /nfs/dbraw/zinc/16/81/48/317168148.db2.gz VHNCTLOZHOQOPK-JTQLQIEISA-N 1 0 306.753 2.932 20 5 DFBDRO CON1CCC([N@H+](C)C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000453614865 317193298 /nfs/dbraw/zinc/19/32/98/317193298.db2.gz FEQRYBZHYXVPCQ-SDNWHVSQSA-N 1 0 319.405 2.956 20 5 DFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3cn[nH]c3)C2)cc1 ZINC000459502994 317326081 /nfs/dbraw/zinc/32/60/81/317326081.db2.gz GEYKDZCMUCHYHN-HNNXBMFYSA-N 1 0 300.362 2.740 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000459512198 317327688 /nfs/dbraw/zinc/32/76/88/317327688.db2.gz PUTZXHRZFOWRAH-UHFFFAOYSA-N 1 0 316.405 2.692 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+](CCO)CC2CCCCC2)c1 ZINC000485882020 317339428 /nfs/dbraw/zinc/33/94/28/317339428.db2.gz HSCBTNZAQCCAHW-UHFFFAOYSA-N 1 0 322.405 2.848 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000491806323 317593253 /nfs/dbraw/zinc/59/32/53/317593253.db2.gz GWFDFKIDKJGVSO-TZMCWYRMSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000494625950 317660688 /nfs/dbraw/zinc/66/06/88/317660688.db2.gz MVVGUKYUDXSDNW-CQSZACIVSA-N 1 0 322.386 2.667 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645808 317661659 /nfs/dbraw/zinc/66/16/59/317661659.db2.gz DJKSYAJACYONRL-TZMCWYRMSA-N 1 0 314.769 2.532 20 5 DFBDRO COc1cc(C[NH+]2CCC(OC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000539808704 317811537 /nfs/dbraw/zinc/81/15/37/317811537.db2.gz QRWLIUUKKISFJL-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000566183083 317941858 /nfs/dbraw/zinc/94/18/58/317941858.db2.gz ANTMNLUXQDPYRV-NSHDSACASA-N 1 0 323.418 2.655 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCOCC2CCC2)n1 ZINC000573410647 318018534 /nfs/dbraw/zinc/01/85/34/318018534.db2.gz MKNBGHIAWDYGAU-HUUCEWRRSA-N 1 0 322.409 2.681 20 5 DFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000574868702 318045824 /nfs/dbraw/zinc/04/58/24/318045824.db2.gz NYAPYCHUTTWXLL-INIZCTEOSA-N 1 0 317.389 2.618 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000575774154 318082911 /nfs/dbraw/zinc/08/29/11/318082911.db2.gz MVRRRVHBLNRRQH-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1cc(N2CC[C@@]3(CC[NH2+]C3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575854729 318087469 /nfs/dbraw/zinc/08/74/69/318087469.db2.gz HIGPABWYHOYLMF-QGZVFWFLSA-N 1 0 312.373 2.641 20 5 DFBDRO CC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000578859716 318290590 /nfs/dbraw/zinc/29/05/90/318290590.db2.gz IDVWDPQCVYIBHD-HNNXBMFYSA-N 1 0 322.405 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2cnn(CCC3CC[NH2+]CC3)c2)cc1 ZINC000579343439 318323725 /nfs/dbraw/zinc/32/37/25/318323725.db2.gz BSRYWOVXECHIHV-UHFFFAOYSA-N 1 0 300.362 2.848 20 5 DFBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579344767 318324087 /nfs/dbraw/zinc/32/40/87/318324087.db2.gz MKJOPLWRBKCZJH-KGLIPLIRSA-N 1 0 322.405 2.750 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000579593279 318341303 /nfs/dbraw/zinc/34/13/03/318341303.db2.gz ZSHSLJKRJNKAPI-AWEZNQCLSA-N 1 0 318.764 2.706 20 5 DFBDRO CN(C)[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000580034690 318369984 /nfs/dbraw/zinc/36/99/84/318369984.db2.gz XPHAHWMOPQMPIR-IAGOWNOFSA-N 1 0 303.406 2.902 20 5 DFBDRO C[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093184 318375768 /nfs/dbraw/zinc/37/57/68/318375768.db2.gz BJGUHNOCTVISGQ-XJKSGUPXSA-N 1 0 303.406 2.904 20 5 DFBDRO Cc1cc(N2CC[C@H](C[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000580169405 318380717 /nfs/dbraw/zinc/38/07/17/318380717.db2.gz WDDPPKKROYGSQZ-CYBMUJFWSA-N 1 0 314.389 2.839 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000382435838 323298821 /nfs/dbraw/zinc/29/88/21/323298821.db2.gz VNZYYQSRMJWDOD-SCZZXKLOSA-N 1 0 314.183 2.897 20 5 DFBDRO Cc1sc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000580302834 323366768 /nfs/dbraw/zinc/36/67/68/323366768.db2.gz ANHWYRGVLRRPOP-JTQLQIEISA-N 1 0 323.418 2.569 20 5 DFBDRO Cn1cncc1CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000580341545 323373380 /nfs/dbraw/zinc/37/33/80/323373380.db2.gz DSBLPIKKBMXTEO-UHFFFAOYSA-N 1 0 314.389 2.926 20 5 DFBDRO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581603626 323547297 /nfs/dbraw/zinc/54/72/97/323547297.db2.gz JMSLNBPHWBVRMV-JSGCOSHPSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H](CCC1CC1)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581603627 323547633 /nfs/dbraw/zinc/54/76/33/323547633.db2.gz JMSLNBPHWBVRMV-OCCSQVGLSA-N 1 0 308.378 2.503 20 5 DFBDRO CC(C)Oc1nc(N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000583703901 323901219 /nfs/dbraw/zinc/90/12/19/323901219.db2.gz NUKNZLDTMCZTPU-UHFFFAOYSA-N 1 0 310.398 2.553 20 5 DFBDRO Cc1ccc(CN2CCc3ccccc3[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583753278 323908380 /nfs/dbraw/zinc/90/83/80/323908380.db2.gz UXXKZTJUEQEHBO-GOSISDBHSA-N 1 0 311.385 2.961 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584341522 333805036 /nfs/dbraw/zinc/80/50/36/333805036.db2.gz UUXGGJIJZZYSBJ-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000584467357 337347323 /nfs/dbraw/zinc/34/73/23/337347323.db2.gz IVNDKAWHUREIQO-GDBMZVCRSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305812906 533784110 /nfs/dbraw/zinc/78/41/10/533784110.db2.gz IRGLEORNTWBYML-DZGCQCFKSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1cc(F)c(NC(=O)N2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000296732805 533810809 /nfs/dbraw/zinc/81/08/09/533810809.db2.gz MPNVTKIKBVTBCX-UHFFFAOYSA-N 1 0 324.356 2.600 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296833837 533818337 /nfs/dbraw/zinc/81/83/37/533818337.db2.gz WTXJQNFNIKNMPM-IHRRRGAJSA-N 1 0 319.405 2.750 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CCC2)C1 ZINC000292415678 533877272 /nfs/dbraw/zinc/87/72/72/533877272.db2.gz POKGQTMXGZAVOW-LLVKDONJSA-N 1 0 323.418 2.603 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)CC2([NH+](C)C)CCC2)c1 ZINC000302472792 533995469 /nfs/dbraw/zinc/99/54/69/533995469.db2.gz DISCATASDMSILP-UHFFFAOYSA-N 1 0 311.357 2.663 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000332004317 534319129 /nfs/dbraw/zinc/31/91/29/534319129.db2.gz YDGZZRLSRXKIKS-ZDUSSCGKSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354403587 521718744 /nfs/dbraw/zinc/71/87/44/521718744.db2.gz PJQMJNBQACBJBN-DOMZBBRYSA-N 1 0 305.378 2.540 20 5 DFBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000338359965 525456337 /nfs/dbraw/zinc/45/63/37/525456337.db2.gz VBGRPOOWBGMICH-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000364887543 525562991 /nfs/dbraw/zinc/56/29/91/525562991.db2.gz ZZDYQNFJNJFFGT-KRWDZBQOSA-N 1 0 303.406 2.963 20 5 DFBDRO Cc1ccn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)n1 ZINC000365152460 525588342 /nfs/dbraw/zinc/58/83/42/525588342.db2.gz DFTGTUNERLITEU-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000365941976 525714177 /nfs/dbraw/zinc/71/41/77/525714177.db2.gz MOHHYAKXERXMJN-TZMCWYRMSA-N 1 0 300.362 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@H](c2cccnc2)C1 ZINC000294716583 534886815 /nfs/dbraw/zinc/88/68/15/534886815.db2.gz CFFCRQCKTBUYGA-RDJZCZTQSA-N 1 0 313.357 3.000 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330701507 526672063 /nfs/dbraw/zinc/67/20/63/526672063.db2.gz HUCLHEZFHXNBGK-CVEARBPZSA-N 1 0 322.405 2.703 20 5 DFBDRO [NH3+]C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000155839511 527206127 /nfs/dbraw/zinc/20/61/27/527206127.db2.gz IRHANHCAEOVGKC-SNVBAGLBSA-N 1 0 309.395 2.624 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000321576002 527217699 /nfs/dbraw/zinc/21/76/99/527217699.db2.gz PRGLZGXLVHHGKL-XJKSGUPXSA-N 1 0 317.389 2.718 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000153848213 527336044 /nfs/dbraw/zinc/33/60/44/527336044.db2.gz KFXFVLPUIPLSPE-LBPRGKRZSA-N 1 0 324.812 2.955 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365166808 527386879 /nfs/dbraw/zinc/38/68/79/527386879.db2.gz ZUISZOOBLSIGIX-QAPCUYQASA-N 1 0 312.369 2.980 20 5 DFBDRO CC[NH+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000330801623 527931349 /nfs/dbraw/zinc/93/13/49/527931349.db2.gz AJCIEAGFDCQPGC-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO CC[NH+]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000331308709 527972032 /nfs/dbraw/zinc/97/20/32/527972032.db2.gz BLXFZSOWMHHSCI-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000295095526 528155565 /nfs/dbraw/zinc/15/55/65/528155565.db2.gz JUEKVPZJSDAQCP-IUODEOHRSA-N 1 0 323.393 2.717 20 5 DFBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000299660935 528195386 /nfs/dbraw/zinc/19/53/86/528195386.db2.gz HKNLKJSQURVGRF-UHFFFAOYSA-N 1 0 322.365 2.814 20 5 DFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000299612533 528254480 /nfs/dbraw/zinc/25/44/80/528254480.db2.gz XSSJJOHHZJUEON-OAHLLOKOSA-N 1 0 318.421 2.938 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000295637373 528267990 /nfs/dbraw/zinc/26/79/90/528267990.db2.gz CFZDSHDZSDKTRS-AWEZNQCLSA-N 1 0 322.405 2.976 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000292921561 528280355 /nfs/dbraw/zinc/28/03/55/528280355.db2.gz BUDFDORYSIASOK-INIZCTEOSA-N 1 0 322.405 2.880 20 5 DFBDRO CCOc1cc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317042248 528313838 /nfs/dbraw/zinc/31/38/38/528313838.db2.gz OMAUXZYLAOPJFR-UBHSHLNASA-N 1 0 305.378 2.557 20 5 DFBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000318057735 529019946 /nfs/dbraw/zinc/01/99/46/529019946.db2.gz UJLRQUBQRUWMQM-IUODEOHRSA-N 1 0 307.394 2.939 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000299426878 529023080 /nfs/dbraw/zinc/02/30/80/529023080.db2.gz TYDKZBVXHRFOIW-CYBMUJFWSA-N 1 0 320.393 2.837 20 5 DFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)C[C@@H]21 ZINC000172968290 535041313 /nfs/dbraw/zinc/04/13/13/535041313.db2.gz BYMUUYVFQHDZCM-OKILXGFUSA-N 1 0 304.346 2.549 20 5 DFBDRO CC(C)(CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+]1CCCC1 ZINC000357965291 535155041 /nfs/dbraw/zinc/15/50/41/535155041.db2.gz SZTNFSZJAWRWNL-UHFFFAOYSA-N 1 0 310.373 2.850 20 5 DFBDRO CC(C)(CNc1nc2sccn2c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000357943970 535157708 /nfs/dbraw/zinc/15/77/08/535157708.db2.gz MODWOGJIYOUNRF-UHFFFAOYSA-N 1 0 323.422 2.838 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000357999553 535413527 /nfs/dbraw/zinc/41/35/27/535413527.db2.gz ACVYKOUXZNOXRE-QWHCGFSZSA-N 1 0 318.377 2.929 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])c1 ZINC000278259371 214052566 /nfs/dbraw/zinc/05/25/66/214052566.db2.gz QIOGXUMWICOBCG-UHFFFAOYSA-N 1 0 321.333 2.506 20 5 DFBDRO CC[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278379452 214128455 /nfs/dbraw/zinc/12/84/55/214128455.db2.gz LNCKPIOODMITFO-UHFFFAOYSA-N 1 0 318.299 2.905 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000278548402 214227920 /nfs/dbraw/zinc/22/79/20/214227920.db2.gz BCJLHTFOKSINLD-UONOGXRCSA-N 1 0 314.769 2.532 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1cccc(F)c1 ZINC000413028956 295669389 /nfs/dbraw/zinc/66/93/89/295669389.db2.gz RBUPTDHGUQZJND-CQSZACIVSA-N 1 0 322.315 2.983 20 5 DFBDRO CC(C)(C)[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000164019235 197652064 /nfs/dbraw/zinc/65/20/64/197652064.db2.gz JCPMXOKXMWKZSY-GOEBONIOSA-N 1 0 306.406 2.913 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000315798698 231144142 /nfs/dbraw/zinc/14/41/42/231144142.db2.gz PIEPXLMPIOZQSD-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO CC(C)OC1CC([NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000459313051 299078885 /nfs/dbraw/zinc/07/88/85/299078885.db2.gz ZYZHHNUCJKAWNL-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NCCC[NH2+]Cc1cccnc1 ZINC000316843847 231153335 /nfs/dbraw/zinc/15/33/35/231153335.db2.gz LNQGIVGGLTYTOH-UHFFFAOYSA-N 1 0 304.325 2.721 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000319354738 231183856 /nfs/dbraw/zinc/18/38/56/231183856.db2.gz WECMEXDHRFHEBV-BRWVUGGUSA-N 1 0 304.390 2.763 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413118930 295678163 /nfs/dbraw/zinc/67/81/63/295678163.db2.gz MOYLAHNMDKLRSJ-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413126569 295678675 /nfs/dbraw/zinc/67/86/75/295678675.db2.gz UAZCZISGMBNSHW-NSHDSACASA-N 1 0 318.299 2.761 20 5 DFBDRO C[NH2+]C(C)(C)CNc1c(Br)cccc1[N+](=O)[O-] ZINC000596174870 398347206 /nfs/dbraw/zinc/34/72/06/398347206.db2.gz NAVBIXUGMREAFQ-UHFFFAOYSA-N 1 0 302.172 2.767 20 5 DFBDRO Cc1cc(N2CC(C[NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596246407 398366848 /nfs/dbraw/zinc/36/68/48/398366848.db2.gz DQLCSLRFINLILF-UHFFFAOYSA-N 1 0 317.311 2.920 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1NCC[C@H]1CC[NH2+]C1 ZINC000087834910 185232781 /nfs/dbraw/zinc/23/27/81/185232781.db2.gz URWIGCLVPPPXJE-SECBINFHSA-N 1 0 314.183 2.769 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CCC[NH2+]1 ZINC000087834845 185232848 /nfs/dbraw/zinc/23/28/48/185232848.db2.gz IQTXNXQUTUYSJR-VIFPVBQESA-N 1 0 300.156 2.521 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000237226472 398368876 /nfs/dbraw/zinc/36/88/76/398368876.db2.gz UHTSJHROUMDRAE-UHFFFAOYSA-N 1 0 300.314 2.671 20 5 DFBDRO C[C@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000596254338 398369000 /nfs/dbraw/zinc/36/90/00/398369000.db2.gz AZZVYMZFDNAQAI-SNVBAGLBSA-N 1 0 310.785 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000413176336 295683251 /nfs/dbraw/zinc/68/32/51/295683251.db2.gz ROEUVMZHCFFINN-HNNXBMFYSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000413187269 295684320 /nfs/dbraw/zinc/68/43/20/295684320.db2.gz QZOTWCWLCFNMGO-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@@H](C)C1 ZINC000596269576 398373204 /nfs/dbraw/zinc/37/32/04/398373204.db2.gz UGIZUASKDCDINX-ZDUSSCGKSA-N 1 0 322.409 2.698 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000237895481 398374522 /nfs/dbraw/zinc/37/45/22/398374522.db2.gz FBUQMQMJKLENLP-HUUCEWRRSA-N 1 0 305.378 2.509 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000081849287 398373820 /nfs/dbraw/zinc/37/38/20/398373820.db2.gz JHDGDKJADKTPIF-LSDHHAIUSA-N 1 0 317.389 2.514 20 5 DFBDRO Cc1noc(COc2ccc3c(c2)nc(C)n3C)c1[N+](=O)[O-] ZINC000596287106 398376988 /nfs/dbraw/zinc/37/69/88/398376988.db2.gz YWGYCZBIWJXDKN-UHFFFAOYSA-N 1 0 302.290 2.665 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596305918 398381919 /nfs/dbraw/zinc/38/19/19/398381919.db2.gz DHJHIAWWMFAWGP-LBPRGKRZSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068677 185280709 /nfs/dbraw/zinc/28/07/09/185280709.db2.gz CZNPULQJNZWBRZ-ZOWXZIJZSA-N 1 0 307.394 2.939 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000090184031 185286080 /nfs/dbraw/zinc/28/60/80/185286080.db2.gz ZXULPIFVJJQELX-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)C2CCC2)cc1[N+](=O)[O-] ZINC000090184034 185286130 /nfs/dbraw/zinc/28/61/30/185286130.db2.gz ZXULPIFVJJQELX-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000090454159 185297285 /nfs/dbraw/zinc/29/72/85/185297285.db2.gz GTSGYGJCMMKWDI-DGCLKSJQSA-N 1 0 300.362 2.834 20 5 DFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000090538065 185301641 /nfs/dbraw/zinc/30/16/41/185301641.db2.gz OAODIOPSNKFQED-HNNXBMFYSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000090539011 185301668 /nfs/dbraw/zinc/30/16/68/185301668.db2.gz MNRZPSQNDHYKFB-NSHDSACASA-N 1 0 300.318 2.888 20 5 DFBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552692 185302711 /nfs/dbraw/zinc/30/27/11/185302711.db2.gz VUYZQXBROWZWNP-UKRRQHHQSA-N 1 0 307.394 2.657 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Cl ZINC000090552864 185302762 /nfs/dbraw/zinc/30/27/62/185302762.db2.gz PVMUZTDOKXYSCQ-LLVKDONJSA-N 1 0 321.764 2.761 20 5 DFBDRO CO[C@@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132498 398389266 /nfs/dbraw/zinc/38/92/66/398389266.db2.gz HMJQMHYZJYAVBG-BPUTZDHNSA-N 1 0 322.405 2.735 20 5 DFBDRO C[C@@H]1CC2(C[N@@H+]1CCOc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592181106 398397227 /nfs/dbraw/zinc/39/72/27/398397227.db2.gz CLHXZBLNWWMRAL-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCC[C@@H]1O ZINC000181442308 199297804 /nfs/dbraw/zinc/29/78/04/199297804.db2.gz VQRUPAQSLGFEEE-FZMZJTMJSA-N 1 0 319.361 2.719 20 5 DFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000066811491 398400869 /nfs/dbraw/zinc/40/08/69/398400869.db2.gz ONRPVYNFQVPTPG-OAHLLOKOSA-N 1 0 318.421 2.938 20 5 DFBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592201421 398401531 /nfs/dbraw/zinc/40/15/31/398401531.db2.gz SLNAKIWOTPZAGR-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181561030 199317721 /nfs/dbraw/zinc/31/77/21/199317721.db2.gz XRYRMDKAXYVMPX-LSDHHAIUSA-N 1 0 310.394 2.812 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000084726403 398406644 /nfs/dbraw/zinc/40/66/44/398406644.db2.gz RFINJYUYFCJLIT-KRWDZBQOSA-N 1 0 320.437 2.587 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248583404 398406878 /nfs/dbraw/zinc/40/68/78/398406878.db2.gz PFBCIUCPPPTEGD-OEUWWYETSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+](C)C ZINC000596428085 398409748 /nfs/dbraw/zinc/40/97/48/398409748.db2.gz DTQPXVYJBZOLSE-VIFPVBQESA-N 1 0 303.309 2.948 20 5 DFBDRO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592332306 398413111 /nfs/dbraw/zinc/41/31/11/398413111.db2.gz WAMPXGOLVAGUME-GXFFZTMASA-N 1 0 323.418 2.516 20 5 DFBDRO CC[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000596454190 398416460 /nfs/dbraw/zinc/41/64/60/398416460.db2.gz NCOCINQQJBKCPL-WFASDCNBSA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)Oc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356108 398414439 /nfs/dbraw/zinc/41/44/39/398414439.db2.gz SXBKSUTWYKLLGJ-LLVKDONJSA-N 1 0 318.333 2.857 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592397533 398420806 /nfs/dbraw/zinc/42/08/06/398420806.db2.gz NCEVJYKYFVUAMN-DYVFJYSZSA-N 1 0 322.405 2.731 20 5 DFBDRO C[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000584876146 398424357 /nfs/dbraw/zinc/42/43/57/398424357.db2.gz RCDKWMVRAHQJAI-UONOGXRCSA-N 1 0 319.405 2.546 20 5 DFBDRO Cc1cc(N2C[C@@H]3COC[C@@]3(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596480593 398425024 /nfs/dbraw/zinc/42/50/24/398425024.db2.gz NCELZTDEYKGWME-SJKOYZFVSA-N 1 0 313.357 2.924 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596489894 398427774 /nfs/dbraw/zinc/42/77/74/398427774.db2.gz XJPPTFBWXLYRQN-UHFFFAOYSA-N 1 0 308.382 2.837 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCS[C@H]1C ZINC000592397971 398421174 /nfs/dbraw/zinc/42/11/74/398421174.db2.gz HAFXAZLTIJDKSM-UHIISALHSA-N 1 0 323.418 2.796 20 5 DFBDRO COc1cc(N2CCc3ccccc3[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000592466966 398430303 /nfs/dbraw/zinc/43/03/03/398430303.db2.gz BZEJDVLSKGQCMS-MRXNPFEDSA-N 1 0 313.357 2.666 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000330909100 529930270 /nfs/dbraw/zinc/93/02/70/529930270.db2.gz UPGDXTMQOLOTIK-ZDUSSCGKSA-N 1 0 305.378 2.541 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000596516872 398436799 /nfs/dbraw/zinc/43/67/99/398436799.db2.gz ITCROJVAATZHEA-SECBINFHSA-N 1 0 318.299 2.905 20 5 DFBDRO [NH3+]C1CCC(C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000592558175 398444973 /nfs/dbraw/zinc/44/49/73/398444973.db2.gz ADJASPLRSBZSDQ-UHFFFAOYSA-N 1 0 317.389 2.603 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592545470 398445130 /nfs/dbraw/zinc/44/51/30/398445130.db2.gz SZKTZQCAJNJKSP-KGLIPLIRSA-N 1 0 319.405 2.719 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570431 398449806 /nfs/dbraw/zinc/44/98/06/398449806.db2.gz KYBWXOIMWJBJNG-CQSZACIVSA-N 1 0 321.425 2.654 20 5 DFBDRO Cc1cnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571520 398450611 /nfs/dbraw/zinc/45/06/11/398450611.db2.gz URRSOYMAJKYHID-AWEZNQCLSA-N 1 0 304.394 2.832 20 5 DFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000315416618 530049559 /nfs/dbraw/zinc/04/95/59/530049559.db2.gz UWKBPSWFXNXKPC-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586767166 398455455 /nfs/dbraw/zinc/45/54/55/398455455.db2.gz JPUDYQZRZJAVHX-NSHDSACASA-N 1 0 313.348 2.835 20 5 DFBDRO CCC[NH+](CCC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000027269890 398461592 /nfs/dbraw/zinc/46/15/92/398461592.db2.gz NFONNCPZUMWDIT-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO O=C(NCC[NH+]1CCCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000027348430 398462317 /nfs/dbraw/zinc/46/23/17/398462317.db2.gz ZKORYUURSKQSIN-UHFFFAOYSA-N 1 0 306.366 2.592 20 5 DFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC(CO)CC1 ZINC000089923731 398469518 /nfs/dbraw/zinc/46/95/18/398469518.db2.gz UPRUEYRGSCOORG-UHFFFAOYSA-N 1 0 319.361 2.719 20 5 DFBDRO Nc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000596650996 398472235 /nfs/dbraw/zinc/47/22/35/398472235.db2.gz NHHKXMLKPLHFIF-CABCVRRESA-N 1 0 315.377 2.647 20 5 DFBDRO Cc1c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286757351 219149767 /nfs/dbraw/zinc/14/97/67/219149767.db2.gz FRDOJGYHORGPMR-WMLDXEAASA-N 1 0 303.406 2.962 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090053353 398476193 /nfs/dbraw/zinc/47/61/93/398476193.db2.gz WBSSGWAOEDQQTN-IRXDYDNUSA-N 1 0 322.405 2.813 20 5 DFBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000227761076 201807683 /nfs/dbraw/zinc/80/76/83/201807683.db2.gz QWKCUYMQMYZKJQ-UHFFFAOYSA-N 1 0 309.366 2.551 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592772782 398482964 /nfs/dbraw/zinc/48/29/64/398482964.db2.gz PVOUKPGKPDPSKJ-KCPJHIHWSA-N 1 0 305.378 2.502 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCC2)nc1 ZINC000029622800 398489138 /nfs/dbraw/zinc/48/91/38/398489138.db2.gz OWXUFYJVFPCBGE-UHFFFAOYSA-N 1 0 322.434 2.763 20 5 DFBDRO CCOC1CC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000588215065 398490118 /nfs/dbraw/zinc/49/01/18/398490118.db2.gz YHNAKZZMRXTONK-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@H+](C)C1 ZINC000592828820 398492185 /nfs/dbraw/zinc/49/21/85/398492185.db2.gz JZXQFMJFKFQQAC-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689102 210094105 /nfs/dbraw/zinc/09/41/05/210094105.db2.gz WUGCVZDNJVIHEU-JPQUEUOBSA-N 1 0 301.390 2.634 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000588820224 398509595 /nfs/dbraw/zinc/50/95/95/398509595.db2.gz JSNINTGBMBIJTQ-CQSZACIVSA-N 1 0 321.425 2.574 20 5 DFBDRO CC(C)([NH3+])CCC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966065 398512153 /nfs/dbraw/zinc/51/21/53/398512153.db2.gz WQPULIYTTBZKNT-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO CC[C@@H]([NH2+]CCc1cncc(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000593017858 398521577 /nfs/dbraw/zinc/52/15/77/398521577.db2.gz CNUIOIXDCZGRQJ-MRXNPFEDSA-N 1 0 300.362 2.977 20 5 DFBDRO CCOC[C@@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000593029146 398524876 /nfs/dbraw/zinc/52/48/76/398524876.db2.gz VDYDFIGBKBKUAX-CQSZACIVSA-N 1 0 324.377 2.532 20 5 DFBDRO Cc1ccccc1C1([NH2+]CCn2ccc([N+](=O)[O-])n2)CCC1 ZINC000593040138 398528726 /nfs/dbraw/zinc/52/87/26/398528726.db2.gz ONOHRZIHEOWYAG-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593049842 398530329 /nfs/dbraw/zinc/53/03/29/398530329.db2.gz SGSMMOLJCSEKNL-OTYXRUKQSA-N 1 0 302.321 2.760 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000032729890 398536272 /nfs/dbraw/zinc/53/62/72/398536272.db2.gz XMBIRQXGLOMDHI-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cc2n(n1)CCC2 ZINC000414094568 295766664 /nfs/dbraw/zinc/76/66/64/295766664.db2.gz GJLSXKPIKXWBOZ-GFCCVEGCSA-N 1 0 300.362 2.631 20 5 DFBDRO CCOc1cc(C[N@H+](CC)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000593068599 398536921 /nfs/dbraw/zinc/53/69/21/398536921.db2.gz DJMQWCFCKAYNIU-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000032732403 398537577 /nfs/dbraw/zinc/53/75/77/398537577.db2.gz FYMGWFOGKOURFW-OLZOCXBDSA-N 1 0 319.405 2.896 20 5 DFBDRO O=C1[C@@H]([NH2+]C2(C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000593079805 398539664 /nfs/dbraw/zinc/53/96/64/398539664.db2.gz GWWCJORIWMFLKO-HNNXBMFYSA-N 1 0 315.373 2.622 20 5 DFBDRO C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000593082278 398540717 /nfs/dbraw/zinc/54/07/17/398540717.db2.gz UUZGENAPAUITBH-NSHDSACASA-N 1 0 303.362 2.844 20 5 DFBDRO CC(C)[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000279776227 215135553 /nfs/dbraw/zinc/13/55/53/215135553.db2.gz APCOYTVYFOGEIR-MRXNPFEDSA-N 1 0 302.378 2.821 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc3c(c2)CCO3)cc1 ZINC000322038596 398555465 /nfs/dbraw/zinc/55/54/65/398555465.db2.gz NLGMSEJXBQGGGW-UHFFFAOYSA-N 1 0 312.369 2.905 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000321971825 398555790 /nfs/dbraw/zinc/55/57/90/398555790.db2.gz HSOAUKJIKNKWIQ-LSDHHAIUSA-N 1 0 313.361 2.577 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000589494549 398556106 /nfs/dbraw/zinc/55/61/06/398556106.db2.gz NMYQVPQVZXRPIZ-RYUDHWBXSA-N 1 0 306.362 2.859 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322282243 398556572 /nfs/dbraw/zinc/55/65/72/398556572.db2.gz OERFFLCQLGWTKJ-PZSREKOKSA-N 1 0 313.357 2.659 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000589502406 398557208 /nfs/dbraw/zinc/55/72/08/398557208.db2.gz SBFJDXZVMQOMDL-UHFFFAOYSA-N 1 0 304.346 2.757 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c1 ZINC000589514792 398558588 /nfs/dbraw/zinc/55/85/88/398558588.db2.gz MKYGNPIKBJFKHE-SMDDNHRTSA-N 1 0 304.346 2.756 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000589571735 398560585 /nfs/dbraw/zinc/56/05/85/398560585.db2.gz REIJAPTULSNFGH-LBPRGKRZSA-N 1 0 323.393 2.832 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000593190056 398568709 /nfs/dbraw/zinc/56/87/09/398568709.db2.gz DELACAKELCXCPP-HZSPNIEDSA-N 1 0 319.405 2.765 20 5 DFBDRO Cc1cccc(C(=O)NCCC[N@@H+](C)CC(C)C)c1[N+](=O)[O-] ZINC000593206253 398571742 /nfs/dbraw/zinc/57/17/42/398571742.db2.gz AQUZIFJDLPTTNB-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589689339 398570685 /nfs/dbraw/zinc/57/06/85/398570685.db2.gz IDICCPABXGGRCL-ZDUSSCGKSA-N 1 0 323.368 2.708 20 5 DFBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000589744588 398574259 /nfs/dbraw/zinc/57/42/59/398574259.db2.gz WIPGPJCGLPVRLJ-OAHLLOKOSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000593233546 398576937 /nfs/dbraw/zinc/57/69/37/398576937.db2.gz SFESIYMOLIYSAO-GRDNDAEWSA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C[NH3+] ZINC000593229893 398576270 /nfs/dbraw/zinc/57/62/70/398576270.db2.gz RGZCQYGAMMIHBP-RYUDHWBXSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H]1C[NH3+] ZINC000593233743 398576737 /nfs/dbraw/zinc/57/67/37/398576737.db2.gz WKLBGRUIAUOGPC-BZNIZROVSA-N 1 0 300.362 2.707 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1nccc3c1cccc3[N+](=O)[O-])C2 ZINC000593235505 398577642 /nfs/dbraw/zinc/57/76/42/398577642.db2.gz UKVLXSBPSKWMMG-SJCJKPOMSA-N 1 0 312.373 2.708 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936496 215252061 /nfs/dbraw/zinc/25/20/61/215252061.db2.gz XBJUGICNOSJGKP-UKRRQHHQSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589939090 398584343 /nfs/dbraw/zinc/58/43/43/398584343.db2.gz OUZBJOAEJSZARB-JQWIXIFHSA-N 1 0 304.268 2.530 20 5 DFBDRO CO[C@]1(CO)CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597186738 398585177 /nfs/dbraw/zinc/58/51/77/398585177.db2.gz HWPVCBDMDLASPM-QGZVFWFLSA-N 1 0 322.405 2.692 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000092621899 398588329 /nfs/dbraw/zinc/58/83/29/398588329.db2.gz OQAXVCLERJICQO-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092623023 398588529 /nfs/dbraw/zinc/58/85/29/398588529.db2.gz YUEVVLNGQFXLGP-JTQLQIEISA-N 1 0 301.293 2.702 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccncc1[N+](=O)[O-] ZINC000133406597 185981976 /nfs/dbraw/zinc/98/19/76/185981976.db2.gz FKWRKAZYJRNVRE-UHFFFAOYSA-N 1 0 323.397 2.576 20 5 DFBDRO CC(C)([NH2+]CCOC[C@@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000590019906 398590528 /nfs/dbraw/zinc/59/05/28/398590528.db2.gz XUQBSXXDOLWHMV-ZDUSSCGKSA-N 1 0 308.378 2.615 20 5 DFBDRO CCc1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000414427509 295799951 /nfs/dbraw/zinc/79/99/51/295799951.db2.gz JPJGXGNGGKMMPU-UHFFFAOYSA-N 1 0 320.780 2.933 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000597229918 398598670 /nfs/dbraw/zinc/59/86/70/398598670.db2.gz DNERBCMOJDPPTL-HNNXBMFYSA-N 1 0 319.405 2.640 20 5 DFBDRO C[C@H](O)C1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000597234356 398599649 /nfs/dbraw/zinc/59/96/49/398599649.db2.gz JMZYOZABEAKUHY-NSHDSACASA-N 1 0 302.330 2.858 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590146700 398600415 /nfs/dbraw/zinc/60/04/15/398600415.db2.gz CZPFKBNGOKMDOV-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000597236943 398600503 /nfs/dbraw/zinc/60/05/03/398600503.db2.gz ZHMRZQZFDYEFLU-GDBMZVCRSA-N 1 0 306.362 2.806 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000043147076 398614761 /nfs/dbraw/zinc/61/47/61/398614761.db2.gz YKPDXWKFMHSNJA-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000072637807 398627099 /nfs/dbraw/zinc/62/70/99/398627099.db2.gz GLUKFJDDGYLPHL-UHFFFAOYSA-N 1 0 317.389 2.964 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697653 398630263 /nfs/dbraw/zinc/63/02/63/398630263.db2.gz NAFVMPOYIMBZKB-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072698131 398630872 /nfs/dbraw/zinc/63/08/72/398630872.db2.gz OYWIBCPDLGKCGK-JSGCOSHPSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c2c(c1)COCO2 ZINC000152631176 186091693 /nfs/dbraw/zinc/09/16/93/186091693.db2.gz KLXXKDIOBQCBBI-TXEJJXNPSA-N 1 0 304.346 2.693 20 5 DFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000593465394 398636452 /nfs/dbraw/zinc/63/64/52/398636452.db2.gz RKGRKQJKOLARSM-BZNIZROVSA-N 1 0 300.362 2.529 20 5 DFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173308067 186174573 /nfs/dbraw/zinc/17/45/73/186174573.db2.gz RBPQENZFHKWTIZ-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173308081 186174747 /nfs/dbraw/zinc/17/47/47/186174747.db2.gz RBPQENZFHKWTIZ-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000593472753 398640173 /nfs/dbraw/zinc/64/01/73/398640173.db2.gz JSXFLEDUIUKVBT-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414651291 295811845 /nfs/dbraw/zinc/81/18/45/295811845.db2.gz BRNHUUDPERTVER-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000414655847 295812582 /nfs/dbraw/zinc/81/25/82/295812582.db2.gz HQDQTNINIMRFFP-BXUZGUMPSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1ccc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000414658014 295812874 /nfs/dbraw/zinc/81/28/74/295812874.db2.gz KWRZOKJLSFNQPR-ZDUSSCGKSA-N 1 0 308.382 2.740 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@H](C)C1 ZINC000187990512 186240303 /nfs/dbraw/zinc/24/03/03/186240303.db2.gz LWMNQMHJRDKDGW-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000191848944 186263735 /nfs/dbraw/zinc/26/37/35/186263735.db2.gz OHWNHBUQWBZYGU-AWEZNQCLSA-N 1 0 321.377 2.710 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191860949 186266171 /nfs/dbraw/zinc/26/61/71/186266171.db2.gz WHXJXCWTMACAQZ-HNNXBMFYSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414667493 295813705 /nfs/dbraw/zinc/81/37/05/295813705.db2.gz XXINYNQCJRUUQB-NEPJUHHUSA-N 1 0 306.366 2.542 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189950718 186253785 /nfs/dbraw/zinc/25/37/85/186253785.db2.gz JPTPQABYMFRZOB-DOMZBBRYSA-N 1 0 308.378 2.634 20 5 DFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000590655502 398646415 /nfs/dbraw/zinc/64/64/15/398646415.db2.gz ACZAXXGBAZWERM-BDJLRTHQSA-N 1 0 324.377 2.517 20 5 DFBDRO Cc1ccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237443379 186289696 /nfs/dbraw/zinc/28/96/96/186289696.db2.gz MIDWOWUQVOLTDR-CHWSQXEVSA-N 1 0 305.378 2.868 20 5 DFBDRO Cc1c(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000237497808 186297984 /nfs/dbraw/zinc/29/79/84/186297984.db2.gz PKLWDWGYULTOTJ-DGCLKSJQSA-N 1 0 305.378 2.868 20 5 DFBDRO Cc1c(NC(=O)N[C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000414691377 295816515 /nfs/dbraw/zinc/81/65/15/295816515.db2.gz BLCWOYVIUOBOTL-CYBMUJFWSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cc1[N+](=O)[O-] ZINC000073011004 398655125 /nfs/dbraw/zinc/65/51/25/398655125.db2.gz VYBQEYDZRNZWFA-INIZCTEOSA-N 1 0 319.405 2.640 20 5 DFBDRO C[NH+](C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000171887021 198001308 /nfs/dbraw/zinc/00/13/08/198001308.db2.gz FFMCVDFCRKKYPT-LBPRGKRZSA-N 1 0 319.386 2.689 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000459743362 299179564 /nfs/dbraw/zinc/17/95/64/299179564.db2.gz DEGVXKOORYPJGY-UONOGXRCSA-N 1 0 316.361 2.518 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CCSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000172590346 198118629 /nfs/dbraw/zinc/11/86/29/198118629.db2.gz MHJJTDXEIHPFKK-NSHDSACASA-N 1 0 323.418 2.669 20 5 DFBDRO CO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590757227 398668037 /nfs/dbraw/zinc/66/80/37/398668037.db2.gz CGEWSQFJOQSJTB-XJKSGUPXSA-N 1 0 308.378 2.721 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459767749 299186519 /nfs/dbraw/zinc/18/65/19/299186519.db2.gz KULMYQNOJYZHEA-CQSZACIVSA-N 1 0 320.389 2.647 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459767822 299186631 /nfs/dbraw/zinc/18/66/31/299186631.db2.gz FLDFOCGYRSWYCD-ZLDLUXBVSA-N 1 0 303.362 2.620 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncn1 ZINC000590778680 398672972 /nfs/dbraw/zinc/67/29/72/398672972.db2.gz UOIWAEUFRKULRT-NSHDSACASA-N 1 0 311.345 2.759 20 5 DFBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459773842 299188800 /nfs/dbraw/zinc/18/88/00/299188800.db2.gz KPUUQBNKJADZRB-CABCVRRESA-N 1 0 317.345 2.907 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459774423 299188866 /nfs/dbraw/zinc/18/88/66/299188866.db2.gz UBGARKRFNCOJQO-GJZGRUSLSA-N 1 0 306.362 2.651 20 5 DFBDRO Cc1c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000172835642 198155673 /nfs/dbraw/zinc/15/56/73/198155673.db2.gz MZPQAGAORVEJAH-AWEZNQCLSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000172964023 198171185 /nfs/dbraw/zinc/17/11/85/198171185.db2.gz BYNXHVFGRVHHEU-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727673 398678023 /nfs/dbraw/zinc/67/80/23/398678023.db2.gz PRTZOMWHEIXTSH-ZIAGYGMSSA-N 1 0 319.405 2.512 20 5 DFBDRO Cc1c(C[NH2+][C@H](CC(N)=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000182046307 199379526 /nfs/dbraw/zinc/37/95/26/199379526.db2.gz YEHGSUHYJSPOIO-OAHLLOKOSA-N 1 0 319.405 2.817 20 5 DFBDRO C[C@@H]([NH2+]CCCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173442619 198215848 /nfs/dbraw/zinc/21/58/48/198215848.db2.gz YQBMTPSKDIJHRD-CYBMUJFWSA-N 1 0 308.378 2.831 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000072976065 191261716 /nfs/dbraw/zinc/26/17/16/191261716.db2.gz WIVWEWSIFDRFJR-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000072975853 191262174 /nfs/dbraw/zinc/26/21/74/191262174.db2.gz ROIJQRDGKQOFGR-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000173723215 198244817 /nfs/dbraw/zinc/24/48/17/198244817.db2.gz XTHIZWGCZMSEDD-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000073666966 398693310 /nfs/dbraw/zinc/69/33/10/398693310.db2.gz VLMUIJGYOMGXCC-OAHLLOKOSA-N 1 0 322.409 2.539 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000331997187 234368564 /nfs/dbraw/zinc/36/85/64/234368564.db2.gz BJIQZJXTVBCRQP-DZGCQCFKSA-N 1 0 318.377 2.652 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000174102297 198292203 /nfs/dbraw/zinc/29/22/03/198292203.db2.gz WJBAERCOPPKWCM-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(C)OCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174248757 198309671 /nfs/dbraw/zinc/30/96/71/198309671.db2.gz DBZZAEWBTJQEKA-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCCC1(C[NH3+])CC1 ZINC000593914730 398703071 /nfs/dbraw/zinc/70/30/71/398703071.db2.gz PTLFLCPVEWKMAA-UHFFFAOYSA-N 1 0 323.418 2.566 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000174641411 198363197 /nfs/dbraw/zinc/36/31/97/198363197.db2.gz VQHBNGTVLDWHDV-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000597859599 398706419 /nfs/dbraw/zinc/70/64/19/398706419.db2.gz VWEJESXZXUGZCE-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000174655827 198365571 /nfs/dbraw/zinc/36/55/71/198365571.db2.gz AYFMEOATDUKEBS-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444157 398707562 /nfs/dbraw/zinc/70/75/62/398707562.db2.gz XJCJHJWCANQLMW-HIFRSBDPSA-N 1 0 308.378 2.599 20 5 DFBDRO CCCC[N@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000182145134 199393698 /nfs/dbraw/zinc/39/36/98/199393698.db2.gz PVJCKROPSOOFEO-UHFFFAOYSA-N 1 0 307.350 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415251959 295872471 /nfs/dbraw/zinc/87/24/71/295872471.db2.gz AMMSANYYFGIAHU-GXFFZTMASA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415262109 295873227 /nfs/dbraw/zinc/87/32/27/295873227.db2.gz AQJZEVXYMVBRTE-VXGBXAGGSA-N 1 0 306.366 2.603 20 5 DFBDRO O=C(C[N@@H+]1CC[C@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591061978 398720307 /nfs/dbraw/zinc/72/03/07/398720307.db2.gz PXYXJPUUVOHYEX-ZDUSSCGKSA-N 1 0 303.362 2.655 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597921836 398721014 /nfs/dbraw/zinc/72/10/14/398721014.db2.gz CLAICMVIXLWZEF-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921458 398721309 /nfs/dbraw/zinc/72/13/09/398721309.db2.gz FQVHUMAVUKFHAQ-JSGCOSHPSA-N 1 0 319.405 2.687 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597923112 398721799 /nfs/dbraw/zinc/72/17/99/398721799.db2.gz LKIZLLFFDVRENB-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597925430 398723078 /nfs/dbraw/zinc/72/30/78/398723078.db2.gz PCFYYFDFVQLTRR-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415483849 295886610 /nfs/dbraw/zinc/88/66/10/295886610.db2.gz NAPBLVGUJHBNIS-CYBMUJFWSA-N 1 0 318.377 2.570 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415486190 295886980 /nfs/dbraw/zinc/88/69/80/295886980.db2.gz RFIMBOJNALOERJ-RYUDHWBXSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415480533 295886310 /nfs/dbraw/zinc/88/63/10/295886310.db2.gz HNUPMTHRAJQZTE-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415491069 295887294 /nfs/dbraw/zinc/88/72/94/295887294.db2.gz YSVJOVGEFLMJEY-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000415508673 295888736 /nfs/dbraw/zinc/88/87/36/295888736.db2.gz VMSLBVWOVOYJGG-UHFFFAOYSA-N 1 0 320.393 2.968 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415502792 295888250 /nfs/dbraw/zinc/88/82/50/295888250.db2.gz NZPSXRRWDRKQDT-UHFFFAOYSA-N 1 0 306.366 2.686 20 5 DFBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594042928 398729873 /nfs/dbraw/zinc/72/98/73/398729873.db2.gz JWTVEXZHUSKAAI-HOTGVXAUSA-N 1 0 308.378 2.911 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000591152845 398733486 /nfs/dbraw/zinc/73/34/86/398733486.db2.gz FEEAYQJDWJFDRE-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000047143647 398738003 /nfs/dbraw/zinc/73/80/03/398738003.db2.gz DEXDZBPZEZOKKH-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO COC(=O)c1cc(OCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000113440726 398740051 /nfs/dbraw/zinc/74/00/51/398740051.db2.gz HIULTMQHTJCRAX-UHFFFAOYSA-N 1 0 322.361 2.636 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000591243864 398742022 /nfs/dbraw/zinc/74/20/22/398742022.db2.gz CZMHNXRZYCRJJG-ZFWWWQNUSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000591271696 398744824 /nfs/dbraw/zinc/74/48/24/398744824.db2.gz WXCSGEQVLAMQTG-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591298991 398746257 /nfs/dbraw/zinc/74/62/57/398746257.db2.gz UTPJITSWFPZGSN-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1c1cccs1 ZINC000591348276 398750788 /nfs/dbraw/zinc/75/07/88/398750788.db2.gz KCAAQAYIWGWXQJ-WCFLWFBJSA-N 1 0 306.391 2.635 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[NH2+]C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000591433966 398759305 /nfs/dbraw/zinc/75/93/05/398759305.db2.gz YOLAUNJVFWZFEI-VXGBXAGGSA-N 1 0 300.362 2.638 20 5 DFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000591439976 398760801 /nfs/dbraw/zinc/76/08/01/398760801.db2.gz KJNMJGYZPDJLKO-RYUDHWBXSA-N 1 0 318.352 2.588 20 5 DFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000591439944 398760884 /nfs/dbraw/zinc/76/08/84/398760884.db2.gz GGVWGNIXFJVTSU-WPRPVWTQSA-N 1 0 321.274 2.750 20 5 DFBDRO CC[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591437831 398760887 /nfs/dbraw/zinc/76/08/87/398760887.db2.gz OVXTZNXPFXTHGN-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH3+] ZINC000591437265 398760892 /nfs/dbraw/zinc/76/08/92/398760892.db2.gz FSKPQVCWSRXUOQ-XHDPSFHLSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000591446979 398762078 /nfs/dbraw/zinc/76/20/78/398762078.db2.gz GROSMZYKASDHLG-GDBMZVCRSA-N 1 0 307.369 2.840 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000594195772 398762634 /nfs/dbraw/zinc/76/26/34/398762634.db2.gz JAXQCHPSKOTRQF-ZBFHGGJFSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591449313 398762812 /nfs/dbraw/zinc/76/28/12/398762812.db2.gz VCAKFOFEUOUGGX-BBRMVZONSA-N 1 0 319.405 2.566 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000591443313 398762369 /nfs/dbraw/zinc/76/23/69/398762369.db2.gz ZNZZHBVFLKQTQO-CABCVRRESA-N 1 0 318.421 2.823 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749518 398764088 /nfs/dbraw/zinc/76/40/88/398764088.db2.gz TYVCMLAGJYINGC-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000598261926 398779556 /nfs/dbraw/zinc/77/95/56/398779556.db2.gz IRKBYVQGIWLZAU-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598264892 398779929 /nfs/dbraw/zinc/77/99/29/398779929.db2.gz RGBSLEQCHXVZFR-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])c1 ZINC000591676577 398780287 /nfs/dbraw/zinc/78/02/87/398780287.db2.gz YCTCTTOENFMXTP-QMTHXVAHSA-N 1 0 323.418 2.516 20 5 DFBDRO CC1(C)C[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000591678082 398780330 /nfs/dbraw/zinc/78/03/30/398780330.db2.gz ICDZYCPDKZUKIH-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598262861 398780356 /nfs/dbraw/zinc/78/03/56/398780356.db2.gz MXUQVYYQMYKHMI-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591685939 398780719 /nfs/dbraw/zinc/78/07/19/398780719.db2.gz CCXPEOVWCGVRQY-HNNXBMFYSA-N 1 0 317.389 2.590 20 5 DFBDRO Cc1ccc(NCCC[NH2+]C[C@H](O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591742661 398784051 /nfs/dbraw/zinc/78/40/51/398784051.db2.gz PZOQCGBOBGJSNF-HNNXBMFYSA-N 1 0 309.410 2.702 20 5 DFBDRO CC[C@@H](C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000591769570 398786124 /nfs/dbraw/zinc/78/61/24/398786124.db2.gz YCZCFNRLADDPNZ-DOMZBBRYSA-N 1 0 323.393 2.574 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000594388934 398790405 /nfs/dbraw/zinc/79/04/05/398790405.db2.gz CXDBWXCBTSRKHR-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000276931380 213184782 /nfs/dbraw/zinc/18/47/82/213184782.db2.gz QYTQHKYOICBABW-LBPRGKRZSA-N 1 0 308.378 2.898 20 5 DFBDRO COC(=O)C1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000237123320 202159224 /nfs/dbraw/zinc/15/92/24/202159224.db2.gz KJRAFBLFZHYWOS-LKSINWNRSA-N 1 0 306.362 2.977 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000598342592 398796132 /nfs/dbraw/zinc/79/61/32/398796132.db2.gz LNXJXWKAKCUPAF-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000598343080 398796147 /nfs/dbraw/zinc/79/61/47/398796147.db2.gz RZHVLCLQEKSEES-CQSZACIVSA-N 1 0 319.405 2.932 20 5 DFBDRO CC(C)[NH+](CCNC(=O)CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000087007280 192609768 /nfs/dbraw/zinc/60/97/68/192609768.db2.gz IBLMRPIFZVLHLV-UHFFFAOYSA-N 1 0 321.421 2.762 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276899261 213161758 /nfs/dbraw/zinc/16/17/58/213161758.db2.gz LOEMZNZSRIISAS-HIFRSBDPSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276848427 213131718 /nfs/dbraw/zinc/13/17/18/213131718.db2.gz DDEHDESGAGSBJU-GOEBONIOSA-N 1 0 322.405 2.976 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000179021664 198969693 /nfs/dbraw/zinc/96/96/93/198969693.db2.gz XEHUJPCPDCIWFI-LBPRGKRZSA-N 1 0 319.405 2.574 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594519083 398815538 /nfs/dbraw/zinc/81/55/38/398815538.db2.gz SUFHIGWSVUYJNB-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598466133 398817902 /nfs/dbraw/zinc/81/79/02/398817902.db2.gz KSVWFGDVNGRZCU-UHFFFAOYSA-N 1 0 311.357 2.584 20 5 DFBDRO Cc1c(CN2CC[NH+](C3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051685197 398825447 /nfs/dbraw/zinc/82/54/47/398825447.db2.gz IFLDKIGYLMDKJX-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000594592315 398825788 /nfs/dbraw/zinc/82/57/88/398825788.db2.gz PYHQXQDTJXLAHN-UTUOFQBUSA-N 1 0 311.357 2.644 20 5 DFBDRO COc1cccc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594592261 398825836 /nfs/dbraw/zinc/82/58/36/398825836.db2.gz OWCYIYAETDDWPF-RWMBFGLXSA-N 1 0 323.393 2.513 20 5 DFBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000052160116 398833531 /nfs/dbraw/zinc/83/35/31/398833531.db2.gz GEWSANNKDRNZBL-UHFFFAOYSA-N 1 0 308.338 2.647 20 5 DFBDRO CN(CC(C)(C)[NH3+])c1ccc(Br)cc1[N+](=O)[O-] ZINC000594693628 398843209 /nfs/dbraw/zinc/84/32/09/398843209.db2.gz QQSXTHLINJFBKQ-UHFFFAOYSA-N 1 0 302.172 2.531 20 5 DFBDRO CN(CC(C)(C)[NH3+])c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000594692220 398843271 /nfs/dbraw/zinc/84/32/71/398843271.db2.gz PUZUITQYJUQCLT-UHFFFAOYSA-N 1 0 306.391 2.892 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486047 398841685 /nfs/dbraw/zinc/84/16/85/398841685.db2.gz UFGUTRAGNVBKII-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO COc1cccc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000594696650 398843866 /nfs/dbraw/zinc/84/38/66/398843866.db2.gz JICQUBLZDNFIJE-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000594697244 398843963 /nfs/dbraw/zinc/84/39/63/398843963.db2.gz PDEYPJOFZHBHFW-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1cccc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000594692728 398843383 /nfs/dbraw/zinc/84/33/83/398843383.db2.gz BVVNFEUIJGVUFN-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-] ZINC000180331219 199146124 /nfs/dbraw/zinc/14/61/24/199146124.db2.gz NBODSYUGPJRSES-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC(C)C1 ZINC000598675986 398853445 /nfs/dbraw/zinc/85/34/45/398853445.db2.gz CAWDVQYMFQURFW-CPCZMJQVSA-N 1 0 305.378 2.948 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C)C[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000467786787 299274658 /nfs/dbraw/zinc/27/46/58/299274658.db2.gz JDCFCSBGTMGIJH-GFCCVEGCSA-N 1 0 323.393 2.914 20 5 DFBDRO Cc1c(C(=O)NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000076250139 398849582 /nfs/dbraw/zinc/84/95/82/398849582.db2.gz OVNCZNGLRVOYPJ-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CC2(F)F)n1 ZINC000598679375 398854379 /nfs/dbraw/zinc/85/43/79/398854379.db2.gz HSANOELTMUZADU-GRYCIOLGSA-N 1 0 314.336 2.910 20 5 DFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076421484 398855998 /nfs/dbraw/zinc/85/59/98/398855998.db2.gz BEIDGMUWFROFMQ-CYBMUJFWSA-N 1 0 308.382 2.693 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180578486 199179092 /nfs/dbraw/zinc/17/90/92/199179092.db2.gz XRAHMLULUGSPNJ-UKRRQHHQSA-N 1 0 315.377 2.632 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC(C)C ZINC000053365371 398869908 /nfs/dbraw/zinc/86/99/08/398869908.db2.gz PWZCDLACPXCCQD-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO Cn1ncc(C2CCC2)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000594919689 398871062 /nfs/dbraw/zinc/87/10/62/398871062.db2.gz JOUBJDPZRBHMOJ-UHFFFAOYSA-N 1 0 314.389 2.928 20 5 DFBDRO CC(C)C(=O)NC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000076968693 398877559 /nfs/dbraw/zinc/87/75/59/398877559.db2.gz XMCAMJXLKHDQDN-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO COC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594955771 398880920 /nfs/dbraw/zinc/88/09/20/398880920.db2.gz ARBYMGGMDYPVSU-NBUZRDOWSA-N 1 0 320.389 2.639 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000053898863 398884322 /nfs/dbraw/zinc/88/43/22/398884322.db2.gz XKHDWNKUIWPEDX-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594961270 398882480 /nfs/dbraw/zinc/88/24/80/398882480.db2.gz MLLILKWMJIJRHS-OMBKVPLQSA-N 1 0 322.430 2.887 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000280674020 215785523 /nfs/dbraw/zinc/78/55/23/215785523.db2.gz UZDRVPBBOKHZQB-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1c(C2CC2)cnn1C ZINC000594986246 398887380 /nfs/dbraw/zinc/88/73/80/398887380.db2.gz UQKXPOIMDXDXQF-UHFFFAOYSA-N 1 0 300.362 2.804 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)c([N+](=O)[O-])cc1O ZINC000594992833 398888112 /nfs/dbraw/zinc/88/81/12/398888112.db2.gz YYIFLPBHKFYWMP-LBPRGKRZSA-N 1 0 316.304 2.690 20 5 DFBDRO O=C(CC[NH+]1Cc2ccccc2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000155513861 283376340 /nfs/dbraw/zinc/37/63/40/283376340.db2.gz YXGZMPQUXSBRNJ-UHFFFAOYSA-N 1 0 311.341 2.939 20 5 DFBDRO Cc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594997486 398888521 /nfs/dbraw/zinc/88/85/21/398888521.db2.gz XEJWLFDMJBVFAS-KRWDZBQOSA-N 1 0 322.405 2.561 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCCc1ccco1)OCCO2 ZINC000594997661 398888705 /nfs/dbraw/zinc/88/87/05/398888705.db2.gz PMOPNIGAKYLTDZ-UHFFFAOYSA-N 1 0 318.329 2.681 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000595001712 398889565 /nfs/dbraw/zinc/88/95/65/398889565.db2.gz WEOUAVQLNRZMSW-SJKOYZFVSA-N 1 0 318.348 2.988 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000140423796 398890317 /nfs/dbraw/zinc/89/03/17/398890317.db2.gz FFVQIPMMEUKYAE-CQSZACIVSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@H]1C(C)C ZINC000140422843 398890595 /nfs/dbraw/zinc/89/05/95/398890595.db2.gz ZUPAZTVXMQNSIF-ZDUSSCGKSA-N 1 0 305.378 2.962 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000595008297 398891171 /nfs/dbraw/zinc/89/11/71/398891171.db2.gz DCYFRMOOXYJXAN-MJBXVCDLSA-N 1 0 319.405 2.881 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008199 398891197 /nfs/dbraw/zinc/89/11/97/398891197.db2.gz BUTWJPOBSRHMLF-STQMWFEESA-N 1 0 307.394 2.596 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCCC1 ZINC000172823842 283387087 /nfs/dbraw/zinc/38/70/87/283387087.db2.gz SEIUDTSFIPETQP-LBPRGKRZSA-N 1 0 309.414 2.654 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000595009894 398890823 /nfs/dbraw/zinc/89/08/23/398890823.db2.gz UFKZURIAJJVEMZ-ZOWXZIJZSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000595013976 398891834 /nfs/dbraw/zinc/89/18/34/398891834.db2.gz SYIABSNYBXUJDM-CHWSQXEVSA-N 1 0 307.394 2.596 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915994 398892880 /nfs/dbraw/zinc/89/28/80/398892880.db2.gz SGBGQMHSWQVNNY-AWEZNQCLSA-N 1 0 312.345 2.619 20 5 DFBDRO CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019507 398893471 /nfs/dbraw/zinc/89/34/71/398893471.db2.gz XCYPVBULHVBBQV-QWHCGFSZSA-N 1 0 307.394 2.738 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCN(CC(F)F)CC2)c1 ZINC000598918497 398893489 /nfs/dbraw/zinc/89/34/89/398893489.db2.gz IAOWRKLIZXVEBG-UHFFFAOYSA-N 1 0 313.348 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCNc1ccccn1 ZINC000595024469 398893781 /nfs/dbraw/zinc/89/37/81/398893781.db2.gz GEWSHAJNBBPEQS-LBPRGKRZSA-N 1 0 316.361 2.761 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000595029860 398895323 /nfs/dbraw/zinc/89/53/23/398895323.db2.gz ZROXAEHQVFBVQI-SGMGOOAPSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000595030205 398895283 /nfs/dbraw/zinc/89/52/83/398895283.db2.gz YPINTUDLXYIJNA-HEHGZKQESA-N 1 0 321.421 2.983 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC1(O)CCC1 ZINC000595042648 398896782 /nfs/dbraw/zinc/89/67/82/398896782.db2.gz AVNXVGMJOYIDMT-GFCCVEGCSA-N 1 0 308.378 2.949 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595058446 398899013 /nfs/dbraw/zinc/89/90/13/398899013.db2.gz BOTGOWXFXZAMKM-PPCJFCATSA-N 1 0 310.419 2.935 20 5 DFBDRO C[C@@H]1C[N@H+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000054449450 398899896 /nfs/dbraw/zinc/89/98/96/398899896.db2.gz LWGWSJCWGRPLOI-BETUJISGSA-N 1 0 307.394 2.895 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccsc2C(F)(F)F)c1 ZINC000598968411 398900017 /nfs/dbraw/zinc/90/00/17/398900017.db2.gz ZKAQRJKRAZTDIM-UHFFFAOYSA-N 1 0 320.296 2.661 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069922 398901806 /nfs/dbraw/zinc/90/18/06/398901806.db2.gz TWDSWSHDBPAURX-NWDGAFQWSA-N 1 0 308.378 2.805 20 5 DFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000595074160 398902510 /nfs/dbraw/zinc/90/25/10/398902510.db2.gz UHNJUNICTNHBNQ-XJKSGUPXSA-N 1 0 322.405 2.995 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](CO)CC1CC1)CCC2 ZINC000595092818 398903746 /nfs/dbraw/zinc/90/37/46/398903746.db2.gz XEXVHBKGDDTCIO-DYVFJYSZSA-N 1 0 304.390 2.970 20 5 DFBDRO CCCN1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094132 398904650 /nfs/dbraw/zinc/90/46/50/398904650.db2.gz DOENBEARLUDXNF-SJORKVTESA-N 1 0 317.433 2.990 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3CC(O)C3)cs2)c1 ZINC000599006158 398906732 /nfs/dbraw/zinc/90/67/32/398906732.db2.gz FICAELQHMVTDMJ-UHFFFAOYSA-N 1 0 319.386 2.579 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2CC(O)C2)o1 ZINC000599006343 398906768 /nfs/dbraw/zinc/90/67/68/398906768.db2.gz HFVQHOFIYDOHTR-UHFFFAOYSA-N 1 0 302.330 2.715 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599007635 398906961 /nfs/dbraw/zinc/90/69/61/398906961.db2.gz RPKSIONJOQAPTD-CZUORRHYSA-N 1 0 306.362 2.651 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595105194 398906075 /nfs/dbraw/zinc/90/60/75/398906075.db2.gz RBMDSUKPOJQNDW-STQMWFEESA-N 1 0 319.405 2.892 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCO[C@H]2c2cn[nH]c2)c1 ZINC000599013374 398907520 /nfs/dbraw/zinc/90/75/20/398907520.db2.gz ZWYCWSPWJAJQBX-XJKSGUPXSA-N 1 0 316.361 2.575 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCCC23CC3)c([N+](=O)[O-])cc1O ZINC000599016066 398907927 /nfs/dbraw/zinc/90/79/27/398907927.db2.gz JEHPGNZWAYJCDM-GFCCVEGCSA-N 1 0 306.362 2.979 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000146254459 398909860 /nfs/dbraw/zinc/90/98/60/398909860.db2.gz PYRJFAPZVWVOIW-VIFPVBQESA-N 1 0 324.768 2.606 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225806 398911768 /nfs/dbraw/zinc/91/17/68/398911768.db2.gz OSPOWHJBQWJVDI-HOCLYGCPSA-N 1 0 317.389 2.589 20 5 DFBDRO Cc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)cc([N+](=O)[O-])c1 ZINC000147206693 398911940 /nfs/dbraw/zinc/91/19/40/398911940.db2.gz VBJWFQNEBANKNZ-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])c1 ZINC000595258747 398913392 /nfs/dbraw/zinc/91/33/92/398913392.db2.gz SZOQZCNYXURKEM-MNOVXSKESA-N 1 0 323.418 2.516 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)Cc1ccsc1 ZINC000187794397 200157705 /nfs/dbraw/zinc/15/77/05/200157705.db2.gz ITKUMRNJKCJAHY-GFCCVEGCSA-N 1 0 308.407 2.806 20 5 DFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187680629 200144075 /nfs/dbraw/zinc/14/40/75/200144075.db2.gz BPYOPPGKWYDQII-CWRNSKLLSA-N 1 0 304.390 2.665 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000599063239 398915539 /nfs/dbraw/zinc/91/55/39/398915539.db2.gz XZNHWNOJYWLXIX-NHYWBVRUSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599065361 398915882 /nfs/dbraw/zinc/91/58/82/398915882.db2.gz KMADFMDUDOKXQH-SMDDNHRTSA-N 1 0 313.348 2.975 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@H]1CCOC1 ZINC000595296073 398918036 /nfs/dbraw/zinc/91/80/36/398918036.db2.gz XDFBIWPONCOIJF-RDJZCZTQSA-N 1 0 322.405 2.857 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000595308100 398920483 /nfs/dbraw/zinc/92/04/83/398920483.db2.gz DHMXZLVKVIOATF-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237665985 202324143 /nfs/dbraw/zinc/32/41/43/202324143.db2.gz DFMOBQOWEBCUJD-HNNXBMFYSA-N 1 0 305.378 2.541 20 5 DFBDRO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000595326311 398922656 /nfs/dbraw/zinc/92/26/56/398922656.db2.gz BBAODBINDCRIBR-NILFDRSVSA-N 1 0 323.393 2.917 20 5 DFBDRO Cc1c(C(=O)N[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000237842606 202366978 /nfs/dbraw/zinc/36/69/78/202366978.db2.gz FCSVMQNRYCSTBN-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)F ZINC000188751257 200299906 /nfs/dbraw/zinc/29/99/06/200299906.db2.gz UALIWLPTKSJMRV-LLVKDONJSA-N 1 0 302.321 2.787 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOCC(F)F)C1CC1 ZINC000188766536 200300254 /nfs/dbraw/zinc/30/02/54/200300254.db2.gz RKZYPLGZDDWPDX-CYBMUJFWSA-N 1 0 314.332 2.787 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCOC1 ZINC000595355078 398926664 /nfs/dbraw/zinc/92/66/64/398926664.db2.gz VOVCPMUVTDWEIS-PBHICJAKSA-N 1 0 320.389 2.611 20 5 DFBDRO Cc1noc(CN(C)[C@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595357286 398926717 /nfs/dbraw/zinc/92/67/17/398926717.db2.gz ZEZSSHBJYCOONR-SNVBAGLBSA-N 1 0 305.334 2.660 20 5 DFBDRO Cc1noc(CN(C)[C@@H](C)Cc2ccc(O)cc2)c1[N+](=O)[O-] ZINC000595357285 398926805 /nfs/dbraw/zinc/92/68/05/398926805.db2.gz ZEZSSHBJYCOONR-JTQLQIEISA-N 1 0 305.334 2.660 20 5 DFBDRO CN1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000417312409 296009004 /nfs/dbraw/zinc/00/90/04/296009004.db2.gz NQZGDXCRPJUKDF-BBRMVZONSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797346 299305694 /nfs/dbraw/zinc/30/56/94/299305694.db2.gz HZFYHDZHATWBKP-FZMZJTMJSA-N 1 0 302.330 2.810 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000189313238 200380630 /nfs/dbraw/zinc/38/06/30/200380630.db2.gz KJBONUBWUZTGDZ-HZPDHXFCSA-N 1 0 314.389 2.792 20 5 DFBDRO COC[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417325227 296010064 /nfs/dbraw/zinc/01/00/64/296010064.db2.gz DEDKPJHJMGVGGX-HOCLYGCPSA-N 1 0 308.378 2.613 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO[C@@H]2CC2(F)F)C2CC2)cc1 ZINC000595405060 398932853 /nfs/dbraw/zinc/93/28/53/398932853.db2.gz RYWISJAGAHHYLV-CQSZACIVSA-N 1 0 312.316 2.983 20 5 DFBDRO Cc1n[nH]c(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417346348 296012151 /nfs/dbraw/zinc/01/21/51/296012151.db2.gz UJHDKVNUUYWVTG-OAHLLOKOSA-N 1 0 315.377 2.621 20 5 DFBDRO CCN1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349786 296012657 /nfs/dbraw/zinc/01/26/57/296012657.db2.gz MMIUTCZXWXYENE-CZUORRHYSA-N 1 0 317.389 2.573 20 5 DFBDRO CN(C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355355 296013480 /nfs/dbraw/zinc/01/34/80/296013480.db2.gz NKQILRRLIQKZKA-ZBFHGGJFSA-N 1 0 317.433 2.990 20 5 DFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)[NH2+]1 ZINC000599179881 398935187 /nfs/dbraw/zinc/93/51/87/398935187.db2.gz KJQBZXYDIIEXIF-VHSXEESVSA-N 1 0 315.320 2.773 20 5 DFBDRO COC[C@@](C)(O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351198 296012776 /nfs/dbraw/zinc/01/27/76/296012776.db2.gz RHLYQTWQUBUVJL-IRXDYDNUSA-N 1 0 322.405 2.739 20 5 DFBDRO CN(C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000417350992 296012878 /nfs/dbraw/zinc/01/28/78/296012878.db2.gz BMYKHFGPGLVKBO-OAHLLOKOSA-N 1 0 303.406 2.600 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153237791 398935326 /nfs/dbraw/zinc/93/53/26/398935326.db2.gz JGUBUDAIEKGEBI-BETUJISGSA-N 1 0 303.362 2.574 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153237996 398935421 /nfs/dbraw/zinc/93/54/21/398935421.db2.gz JGUBUDAIEKGEBI-STQMWFEESA-N 1 0 303.362 2.574 20 5 DFBDRO CC[C@@H]1CN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@H](C)[NH2+]1 ZINC000599179697 398935510 /nfs/dbraw/zinc/93/55/10/398935510.db2.gz RDDVMBULYJNPNS-VHSXEESVSA-N 1 0 313.785 2.834 20 5 DFBDRO Cc1cc(N[C@H]2CO[C@@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599181766 398935686 /nfs/dbraw/zinc/93/56/86/398935686.db2.gz UFXLXJAWEQRKIV-SJKOYZFVSA-N 1 0 313.357 2.853 20 5 DFBDRO CC[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281218577 216161425 /nfs/dbraw/zinc/16/14/25/216161425.db2.gz ZIWGSDMUVOTFJF-SPLOXXLWSA-N 1 0 310.419 2.937 20 5 DFBDRO Cc1noc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)c1[N+](=O)[O-] ZINC000595435970 398937791 /nfs/dbraw/zinc/93/77/91/398937791.db2.gz KSILEZRJYBBWAC-ZXLZKYRFSA-N 1 0 317.345 2.934 20 5 DFBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595465763 398944274 /nfs/dbraw/zinc/94/42/74/398944274.db2.gz FUQFIGVMTKUOSP-MJBXVCDLSA-N 1 0 323.393 2.797 20 5 DFBDRO CCO[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000599260421 398944294 /nfs/dbraw/zinc/94/42/94/398944294.db2.gz DRUJAJFQVDMQMC-KRWDZBQOSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCCO)CC1 ZINC000155009570 398944465 /nfs/dbraw/zinc/94/44/65/398944465.db2.gz UKWBKRMJAYHCSO-ZDUSSCGKSA-N 1 0 308.378 2.519 20 5 DFBDRO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1[N+](=O)[O-] ZINC000595470525 398944947 /nfs/dbraw/zinc/94/49/47/398944947.db2.gz ONNWDGHFNOETBX-SCUASFONSA-N 1 0 323.393 2.653 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483215 398947620 /nfs/dbraw/zinc/94/76/20/398947620.db2.gz KHMPDUOPMHJTFH-AWEZNQCLSA-N 1 0 323.368 2.615 20 5 DFBDRO 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 398949802 /nfs/dbraw/zinc/94/98/02/398949802.db2.gz UNEBYJLTAOWZQF-BOOVAVIHSA-N 1 0 306.337 2.589 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332935 398948761 /nfs/dbraw/zinc/94/87/61/398948761.db2.gz BQRHPUBKPYCJJZ-DGCLKSJQSA-N 1 0 322.365 2.670 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595499071 398950351 /nfs/dbraw/zinc/95/03/51/398950351.db2.gz UQFHMPFTTUJIGZ-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO CCN1CCC([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000157496223 398953801 /nfs/dbraw/zinc/95/38/01/398953801.db2.gz AOTIKUKLMGTZAO-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000157610813 398954939 /nfs/dbraw/zinc/95/49/39/398954939.db2.gz CESXARURWLCMDO-QWRGUYRKSA-N 1 0 321.377 2.709 20 5 DFBDRO CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196070 398957227 /nfs/dbraw/zinc/95/72/27/398957227.db2.gz BXYSOBHSHFLRHL-OLZOCXBDSA-N 1 0 307.394 2.796 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000604561539 398958323 /nfs/dbraw/zinc/95/83/23/398958323.db2.gz CRPKBSNVLDMHDQ-CQSZACIVSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000271905061 209311872 /nfs/dbraw/zinc/31/18/72/209311872.db2.gz WKHTVUHRKWISOQ-ARFHVFGLSA-N 1 0 302.374 2.685 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000078559739 398965888 /nfs/dbraw/zinc/96/58/88/398965888.db2.gz HHYDJMOJWVISNJ-GFCCVEGCSA-N 1 0 322.365 2.671 20 5 DFBDRO COc1cc(CN(C)CCOC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000613380814 398966147 /nfs/dbraw/zinc/96/61/47/398966147.db2.gz HTRIOQXDLSHVFC-UHFFFAOYSA-N 1 0 314.357 2.989 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000613390651 398968410 /nfs/dbraw/zinc/96/84/10/398968410.db2.gz WVMIKDCAEQYELA-BLLLJJGKSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000613390664 398969221 /nfs/dbraw/zinc/96/92/21/398969221.db2.gz WVMIKDCAEQYELA-MLGOLLRUSA-N 1 0 318.348 2.988 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000271882263 209292526 /nfs/dbraw/zinc/29/25/26/209292526.db2.gz PUAOXHKETMFLMA-BMFZPTHFSA-N 1 0 318.373 2.651 20 5 DFBDRO Cc1c(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000193450336 201054306 /nfs/dbraw/zinc/05/43/06/201054306.db2.gz IGTQRGUSVZZNQJ-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000193895917 201139827 /nfs/dbraw/zinc/13/98/27/201139827.db2.gz QFYYPGLIKXBLTE-MZGVZZPPSA-N 1 0 317.389 2.693 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194026835 201165226 /nfs/dbraw/zinc/16/52/26/201165226.db2.gz PUAOXHKETMFLMA-VNQPRFMTSA-N 1 0 318.373 2.651 20 5 DFBDRO CSCC[C@H](CO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587600 297309639 /nfs/dbraw/zinc/30/96/39/297309639.db2.gz QWYNIXHWVSICCA-DOMZBBRYSA-N 1 0 310.419 2.676 20 5 DFBDRO COC(=O)C1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296147398 283752675 /nfs/dbraw/zinc/75/26/75/283752675.db2.gz VSKNPGWWUIDHHU-XGNXJENSSA-N 1 0 306.362 2.977 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000417853817 296058170 /nfs/dbraw/zinc/05/81/70/296058170.db2.gz PNKUSJTUFZKJPK-GFCCVEGCSA-N 1 0 322.409 2.781 20 5 DFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000600229523 399014008 /nfs/dbraw/zinc/01/40/08/399014008.db2.gz UXLNSOAKQKHIKT-MRXNPFEDSA-N 1 0 317.389 2.732 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599606107 399028580 /nfs/dbraw/zinc/02/85/80/399028580.db2.gz RXOTUJPFZREIKV-OAHLLOKOSA-N 1 0 320.393 2.619 20 5 DFBDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671379 399027614 /nfs/dbraw/zinc/02/76/14/399027614.db2.gz FEAJWQSVLNHMTI-WMLDXEAASA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000418124377 296079631 /nfs/dbraw/zinc/07/96/31/296079631.db2.gz HQYSFHUFDUYPBQ-UHFFFAOYSA-N 1 0 322.405 2.561 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632146 399036392 /nfs/dbraw/zinc/03/63/92/399036392.db2.gz UTTRJAMRFXZGCL-DXVXHNSZSA-N 1 0 308.403 2.641 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@H]1CCO ZINC000595695837 399039368 /nfs/dbraw/zinc/03/93/68/399039368.db2.gz ICAVRHKSNWRXDY-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000595697607 399041379 /nfs/dbraw/zinc/04/13/79/399041379.db2.gz LYTSINIQWXPUQT-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO [NH3+]C[C@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000255618806 283894339 /nfs/dbraw/zinc/89/43/39/283894339.db2.gz JFUWSAZGRKDKLU-YDZSZYSISA-N 1 0 317.389 2.632 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599672393 399054639 /nfs/dbraw/zinc/05/46/39/399054639.db2.gz OFRBIXASBZBLNB-JNSHFYNHSA-N 1 0 308.378 2.585 20 5 DFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599675587 399057311 /nfs/dbraw/zinc/05/73/11/399057311.db2.gz SESOEFBLWFUXOP-LXZKKBNFSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000079550620 399057553 /nfs/dbraw/zinc/05/75/53/399057553.db2.gz NUWZPMJFEYDLDJ-UONOGXRCSA-N 1 0 318.377 2.652 20 5 DFBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000293037365 223363772 /nfs/dbraw/zinc/36/37/72/223363772.db2.gz QKDFOMJFEKPPKQ-CYBMUJFWSA-N 1 0 316.304 2.711 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3c(F)cccc3F)CCC2)n1 ZINC000599692339 399066237 /nfs/dbraw/zinc/06/62/37/399066237.db2.gz DODMCRUJDXQCNE-UHFFFAOYSA-N 1 0 322.315 2.739 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271768091 209198195 /nfs/dbraw/zinc/19/81/95/209198195.db2.gz DOSFMHNNXDOHIE-OAHLLOKOSA-N 1 0 300.362 2.612 20 5 DFBDRO CC(C)OC[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000613746092 399074758 /nfs/dbraw/zinc/07/47/58/399074758.db2.gz VHPGOTVZHLVGNE-WRLNGNIRSA-N 1 0 320.389 2.734 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618324076 399082550 /nfs/dbraw/zinc/08/25/50/399082550.db2.gz YWUDTNRNVBCNST-MRXNPFEDSA-N 1 0 319.361 2.863 20 5 DFBDRO CC(C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058610991 399089016 /nfs/dbraw/zinc/08/90/16/399089016.db2.gz IZDZUCATQGOXNF-LLVKDONJSA-N 1 0 323.422 2.836 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808304 399093725 /nfs/dbraw/zinc/09/37/25/399093725.db2.gz CNKALWOAYQVGMJ-STQMWFEESA-N 1 0 303.362 2.574 20 5 DFBDRO Cc1c(C(=O)N2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000058910919 399101602 /nfs/dbraw/zinc/10/16/02/399101602.db2.gz VOBOAXPUGMOUQL-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ccon3)CC2)cc1 ZINC000595829680 399102312 /nfs/dbraw/zinc/10/23/12/399102312.db2.gz ZEAPPDODKBHXMM-UHFFFAOYSA-N 1 0 317.345 2.841 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830178 399102468 /nfs/dbraw/zinc/10/24/68/399102468.db2.gz CZCSEPNFIFDGAD-KBPBESRZSA-N 1 0 317.389 2.600 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000419319883 296134454 /nfs/dbraw/zinc/13/44/54/296134454.db2.gz PDTPVANDFGJBGY-HUUCEWRRSA-N 1 0 319.405 2.972 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000419319881 296134516 /nfs/dbraw/zinc/13/45/16/296134516.db2.gz PDTPVANDFGJBGY-CABCVRRESA-N 1 0 319.405 2.972 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419338927 296135760 /nfs/dbraw/zinc/13/57/60/296135760.db2.gz CMFXCPWGGREJDP-TUAOUCFPSA-N 1 0 321.377 2.518 20 5 DFBDRO C[C@H]1[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000419353073 296136164 /nfs/dbraw/zinc/13/61/64/296136164.db2.gz KSHFXUROMQMXKX-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO COCCCC[N@H+](C)Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000419381978 296138711 /nfs/dbraw/zinc/13/87/11/296138711.db2.gz IAGSNGBETXYBLC-UHFFFAOYSA-N 1 0 320.349 2.503 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600681719 399116467 /nfs/dbraw/zinc/11/64/67/399116467.db2.gz IVVPZXKGVGXDHK-SMDDNHRTSA-N 1 0 301.346 2.695 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1=CCSC1 ZINC000595889241 399123673 /nfs/dbraw/zinc/12/36/73/399123673.db2.gz SOHBOLIEDWBLTA-LLVKDONJSA-N 1 0 321.402 2.527 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccs3)C2)nc1 ZINC000093534325 193266149 /nfs/dbraw/zinc/26/61/49/193266149.db2.gz CIMVLKUAENZCFZ-NSHDSACASA-N 1 0 304.375 2.738 20 5 DFBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000060361107 399125012 /nfs/dbraw/zinc/12/50/12/399125012.db2.gz QJTROASUXBEULU-HNNXBMFYSA-N 1 0 319.405 2.579 20 5 DFBDRO CN(CC1=CCSC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000595889204 399124409 /nfs/dbraw/zinc/12/44/09/399124409.db2.gz ROECRBMWWKNGJW-UHFFFAOYSA-N 1 0 300.330 2.978 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600723601 399125589 /nfs/dbraw/zinc/12/55/89/399125589.db2.gz CKWBRILZTBTHFE-DGCLKSJQSA-N 1 0 317.311 2.554 20 5 DFBDRO COCCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000263795949 203570283 /nfs/dbraw/zinc/57/02/83/203570283.db2.gz PAFBWVVUBFZGON-UHFFFAOYSA-N 1 0 311.357 2.647 20 5 DFBDRO CO[C@@H](C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263803519 203573769 /nfs/dbraw/zinc/57/37/69/203573769.db2.gz KRDXDNPSNQFVHJ-LBPRGKRZSA-N 1 0 318.377 2.510 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346632 284200410 /nfs/dbraw/zinc/20/04/10/284200410.db2.gz LBEAUKVAQIQMFQ-STQMWFEESA-N 1 0 323.780 2.605 20 5 DFBDRO COCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000595908351 399131705 /nfs/dbraw/zinc/13/17/05/399131705.db2.gz IEZPCQRJGNMHNI-UHFFFAOYSA-N 1 0 318.377 2.910 20 5 DFBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595908734 399132229 /nfs/dbraw/zinc/13/22/29/399132229.db2.gz KBIMIBAGVKAHFQ-LBPRGKRZSA-N 1 0 305.378 2.536 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595913320 399132948 /nfs/dbraw/zinc/13/29/48/399132948.db2.gz RRXYMDBEBVJBAA-LLVKDONJSA-N 1 0 321.377 2.520 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420128019 296159306 /nfs/dbraw/zinc/15/93/06/296159306.db2.gz SQPFLVBWBAQUPX-SNVBAGLBSA-N 1 0 315.320 2.632 20 5 DFBDRO O=[N+]([O-])c1cnccc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000340923280 284218586 /nfs/dbraw/zinc/21/85/86/284218586.db2.gz MYSYUYYPNRMSST-CQSZACIVSA-N 1 0 304.394 2.621 20 5 DFBDRO [NH3+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000420176747 296160662 /nfs/dbraw/zinc/16/06/62/296160662.db2.gz XMDVJMZNHAWLNF-LLVKDONJSA-N 1 0 316.336 2.581 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000600754834 399136046 /nfs/dbraw/zinc/13/60/46/399136046.db2.gz CMFQGTZURQURSH-HUUCEWRRSA-N 1 0 320.389 2.671 20 5 DFBDRO C[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H]1C[NH3+] ZINC000420191542 296161376 /nfs/dbraw/zinc/16/13/76/296161376.db2.gz RRVVYMUYEILEGU-NHYWBVRUSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1c(NC(=O)c2cc3c(s2)CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000595931730 399139711 /nfs/dbraw/zinc/13/97/11/399139711.db2.gz WNDXQMPKEZCTBR-UHFFFAOYSA-N 1 0 317.370 2.863 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420207488 296162409 /nfs/dbraw/zinc/16/24/09/296162409.db2.gz LDUFJIXQXFWQDW-AWEZNQCLSA-N 1 0 312.373 2.845 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420200779 296161946 /nfs/dbraw/zinc/16/19/46/296161946.db2.gz OHFFADVZIUHIBW-BXUZGUMPSA-N 1 0 321.377 2.619 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420202204 296162013 /nfs/dbraw/zinc/16/20/13/296162013.db2.gz IYUDUMVUOIVZNY-CYBMUJFWSA-N 1 0 302.378 2.953 20 5 DFBDRO Cc1cc(NC[C@H](C)C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000420211291 296162603 /nfs/dbraw/zinc/16/26/03/296162603.db2.gz FJLLFZDGRRFZNL-SSDOTTSWSA-N 1 0 302.172 2.672 20 5 DFBDRO CCOC(=O)c1cc(NCC[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420219789 296163184 /nfs/dbraw/zinc/16/31/84/296163184.db2.gz YYNRUQIWMNNKSF-LBPRGKRZSA-N 1 0 321.377 2.573 20 5 DFBDRO C[NH2+]CCC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000420223964 296163315 /nfs/dbraw/zinc/16/33/15/296163315.db2.gz DJQXOFZMGNIJLK-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO CC(C)c1ccc([C@@H]([NH3+])CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000420222592 296163443 /nfs/dbraw/zinc/16/34/43/296163443.db2.gz SHSBDVCJOZFDQR-ZDUSSCGKSA-N 1 0 303.366 2.564 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1ncc(Cl)cc1[N+](=O)[O-] ZINC000420221403 296163454 /nfs/dbraw/zinc/16/34/54/296163454.db2.gz ZFSDLGYXUOXBSM-DGQGSHBHSA-N 1 0 310.785 2.961 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000420226307 296163718 /nfs/dbraw/zinc/16/37/18/296163718.db2.gz ZSDGSIKODNEQOU-VIFPVBQESA-N 1 0 301.293 2.608 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C[NH2+]1 ZINC000420228777 296163762 /nfs/dbraw/zinc/16/37/62/296163762.db2.gz FSPZEVSXBCWYGU-OLZOCXBDSA-N 1 0 312.373 2.843 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420231357 296164276 /nfs/dbraw/zinc/16/42/76/296164276.db2.gz JSVYCJBAKATSGI-WDEREUQCSA-N 1 0 318.402 2.905 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420237815 296164642 /nfs/dbraw/zinc/16/46/42/296164642.db2.gz CQPHHRXUVUSWTK-WPRPVWTQSA-N 1 0 301.293 2.749 20 5 DFBDRO CC(C)NC(=O)c1ccc(N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420254321 296166035 /nfs/dbraw/zinc/16/60/35/296166035.db2.gz CWMAQXUGZILSFH-GFCCVEGCSA-N 1 0 322.409 2.662 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000596012864 399148236 /nfs/dbraw/zinc/14/82/36/399148236.db2.gz BSWCMCPHOOUCTF-KGLIPLIRSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264609872 204026603 /nfs/dbraw/zinc/02/66/03/204026603.db2.gz PGLWDISNACKKDF-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420257036 296166338 /nfs/dbraw/zinc/16/63/38/296166338.db2.gz VYPAETNNNKBHIB-PSASIEDQSA-N 1 0 303.284 2.848 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420258512 296166621 /nfs/dbraw/zinc/16/66/21/296166621.db2.gz XTQRANHAQQIHFX-GXFFZTMASA-N 1 0 316.336 2.722 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000341246426 284259011 /nfs/dbraw/zinc/25/90/11/284259011.db2.gz JBDJDDGRHJQWKQ-OUCADQQQSA-N 1 0 306.362 2.581 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420280938 296168844 /nfs/dbraw/zinc/16/88/44/296168844.db2.gz VHWDCAVOZCLYMI-ZIAGYGMSSA-N 1 0 317.389 2.623 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420282009 296168885 /nfs/dbraw/zinc/16/88/85/296168885.db2.gz WIDLAKAQFCBBPN-RKDXNWHRSA-N 1 0 301.293 2.736 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420276598 296168371 /nfs/dbraw/zinc/16/83/71/296168371.db2.gz PHBLPDJYPRHYBL-UONOGXRCSA-N 1 0 317.389 2.623 20 5 DFBDRO COC(=O)c1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(C)c1[N+](=O)[O-] ZINC000420277099 296168390 /nfs/dbraw/zinc/16/83/90/296168390.db2.gz IEBGWLMMUMVTKD-VXGBXAGGSA-N 1 0 321.377 2.619 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(NCC[NH+]3CCSCC3)ccc2c1 ZINC000264814043 204176748 /nfs/dbraw/zinc/17/67/48/204176748.db2.gz PPHOEHUWBNIVER-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO C[N@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CCC1 ZINC000600821909 399155312 /nfs/dbraw/zinc/15/53/12/399155312.db2.gz QBOSRLRMJKYWDS-UHFFFAOYSA-N 1 0 317.389 2.570 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1cccc(F)c1 ZINC000596053261 399156633 /nfs/dbraw/zinc/15/66/33/399156633.db2.gz CJBLGKJNJMLMEC-ZDUSSCGKSA-N 1 0 320.324 2.549 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@H+](C)C1CCC1 ZINC000600839779 399158971 /nfs/dbraw/zinc/15/89/71/399158971.db2.gz NTMZWMJCHHHBDB-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420292497 296170266 /nfs/dbraw/zinc/17/02/66/296170266.db2.gz WPNAWDCNKRJALZ-NWDGAFQWSA-N 1 0 321.377 2.619 20 5 DFBDRO CCSC1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000596066172 399161185 /nfs/dbraw/zinc/16/11/85/399161185.db2.gz PPSMCYZOSLQOPX-UHFFFAOYSA-N 1 0 323.418 2.799 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000618571463 399163720 /nfs/dbraw/zinc/16/37/20/399163720.db2.gz SMAUDGKHQOZKBP-KBXIAJHMSA-N 1 0 322.409 2.680 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000080652868 399166793 /nfs/dbraw/zinc/16/67/93/399166793.db2.gz KWJZDRFEOLACBA-HNNXBMFYSA-N 1 0 307.394 2.662 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000278193218 214014929 /nfs/dbraw/zinc/01/49/29/214014929.db2.gz RMKQIIRDZSUPKL-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NCCC[NH+]1CCC(O)CC1 ZINC000596084536 399167545 /nfs/dbraw/zinc/16/75/45/399167545.db2.gz AZMXLLDMHOUYJZ-UHFFFAOYSA-N 1 0 313.785 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCOCCF ZINC000596095510 399171585 /nfs/dbraw/zinc/17/15/85/399171585.db2.gz QDXZULDPEIOKTB-DZGCQCFKSA-N 1 0 310.369 2.882 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420376976 296182582 /nfs/dbraw/zinc/18/25/82/296182582.db2.gz VRPLPPQEEDXQEG-OGHNNQOOSA-N 1 0 321.421 2.858 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342061759 284319025 /nfs/dbraw/zinc/31/90/25/284319025.db2.gz NEKAHOMOXHSCJD-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc(N(C)CC[NH+]2CCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000596112461 399178657 /nfs/dbraw/zinc/17/86/57/399178657.db2.gz PSEPPYVCLLLTME-UHFFFAOYSA-N 1 0 313.785 2.789 20 5 DFBDRO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[NH2+]1 ZINC000600955845 399186650 /nfs/dbraw/zinc/18/66/50/399186650.db2.gz SGEHGORTWIGIGL-PSASIEDQSA-N 1 0 301.293 2.749 20 5 DFBDRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000271694549 209131493 /nfs/dbraw/zinc/13/14/93/209131493.db2.gz FYCXUDIXGGRCAA-NSHDSACASA-N 1 0 318.333 2.571 20 5 DFBDRO Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000600960872 399188613 /nfs/dbraw/zinc/18/86/13/399188613.db2.gz FHUUJBSGMBJJQV-AOOOYVTPSA-N 1 0 315.295 2.863 20 5 DFBDRO COc1cc(NCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000600958811 399187535 /nfs/dbraw/zinc/18/75/35/399187535.db2.gz LTZXFNLHAIJTOW-UHFFFAOYSA-N 1 0 313.357 2.861 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000600958599 399187541 /nfs/dbraw/zinc/18/75/41/399187541.db2.gz IRAZIVFQYRVMSI-LBPRGKRZSA-N 1 0 300.362 2.851 20 5 DFBDRO Cc1cccc(C(=O)NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000198232249 399192935 /nfs/dbraw/zinc/19/29/35/399192935.db2.gz IQLKRYNWWVGYDO-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420579114 296191008 /nfs/dbraw/zinc/19/10/08/296191008.db2.gz DOMVRHASPAFLBP-LBPRGKRZSA-N 1 0 322.409 2.616 20 5 DFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000600998532 399199144 /nfs/dbraw/zinc/19/91/44/399199144.db2.gz WQRALIZXAGWGNW-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cccc1[N+](=O)[O-] ZINC000063726356 399204187 /nfs/dbraw/zinc/20/41/87/399204187.db2.gz LRUCTBYDYYAPIQ-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000016518967 182048569 /nfs/dbraw/zinc/04/85/69/182048569.db2.gz NVUMJLRGONVXSQ-GHMZBOCLSA-N 1 0 309.366 2.565 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000266511655 205399684 /nfs/dbraw/zinc/39/96/84/205399684.db2.gz DTIXIHBDZLYJPY-KBPBESRZSA-N 1 0 315.377 2.660 20 5 DFBDRO O=C(NCCC[NH+]1CCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000017742317 182085677 /nfs/dbraw/zinc/08/56/77/182085677.db2.gz DWUAKGONXWRCTE-UHFFFAOYSA-N 1 0 306.366 2.592 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000018179152 182097146 /nfs/dbraw/zinc/09/71/46/182097146.db2.gz ACALCIAHLQIKKB-UHFFFAOYSA-N 1 0 306.366 2.589 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342704660 284391900 /nfs/dbraw/zinc/39/19/00/284391900.db2.gz SBBSXKJUWFNULY-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1F ZINC000282990208 217372553 /nfs/dbraw/zinc/37/25/53/217372553.db2.gz DXUOIVUUVFODHO-AWEZNQCLSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCCC3)CC2)nc1 ZINC000064129110 399216802 /nfs/dbraw/zinc/21/68/02/399216802.db2.gz UNQVPEAIWADEQS-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccccc1 ZINC000601100107 399226867 /nfs/dbraw/zinc/22/68/67/399226867.db2.gz LIYXGOKKQFCCNU-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO CCOC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000064569236 399227672 /nfs/dbraw/zinc/22/76/72/399227672.db2.gz WZTUHMGMOCAKHP-UHFFFAOYSA-N 1 0 312.391 2.822 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134700 399237359 /nfs/dbraw/zinc/23/73/59/399237359.db2.gz KCJQVWJHRIOLRP-VXGBXAGGSA-N 1 0 301.346 2.883 20 5 DFBDRO C[NH+](C)CCCC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601136571 399237983 /nfs/dbraw/zinc/23/79/83/399237983.db2.gz UBBXWWXCGQDYDL-UHFFFAOYSA-N 1 0 310.373 2.687 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456465 206081891 /nfs/dbraw/zinc/08/18/91/206081891.db2.gz PMJJENGUOUJHBW-MLGOLLRUSA-N 1 0 309.385 2.896 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000024340332 182378691 /nfs/dbraw/zinc/37/86/91/182378691.db2.gz VSZDRBMGOBLKOZ-UHFFFAOYSA-N 1 0 309.395 2.589 20 5 DFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1(C)C ZINC000601186818 399250661 /nfs/dbraw/zinc/25/06/61/399250661.db2.gz BOIFZCPXNYWTBP-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601217068 399256802 /nfs/dbraw/zinc/25/68/02/399256802.db2.gz WCBLTCIYJVRZDV-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO CC(C)[N@H+](CCC1OCCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000267913754 206334582 /nfs/dbraw/zinc/33/45/82/206334582.db2.gz GUUXIJMOCZEBCL-UHFFFAOYSA-N 1 0 308.378 2.958 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601298296 399272607 /nfs/dbraw/zinc/27/26/07/399272607.db2.gz HDADVILDJDQNPG-CABZTGNLSA-N 1 0 318.320 2.660 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000601304147 399274403 /nfs/dbraw/zinc/27/44/03/399274403.db2.gz KUENEFIPKNAOFN-GUSZCTEKSA-N 1 0 304.390 2.809 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000601335369 399278531 /nfs/dbraw/zinc/27/85/31/399278531.db2.gz STVJGHQTIHECAM-BXUZGUMPSA-N 1 0 309.797 2.822 20 5 DFBDRO Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)[nH+]1 ZINC000344432247 284601249 /nfs/dbraw/zinc/60/12/49/284601249.db2.gz GVMMENZXNZPUFG-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421374425 296250115 /nfs/dbraw/zinc/25/01/15/296250115.db2.gz OUKRMNLBJYGZGN-BYPUDFOVSA-N 1 0 302.374 2.987 20 5 DFBDRO CCC[NH+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487899364 299484191 /nfs/dbraw/zinc/48/41/91/299484191.db2.gz VRYSJHQFIKHXMH-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000421476566 296258554 /nfs/dbraw/zinc/25/85/54/296258554.db2.gz JYAUIYVOUOVZHV-KBPBESRZSA-N 1 0 319.405 2.766 20 5 DFBDRO CS[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000614977738 399287637 /nfs/dbraw/zinc/28/76/37/399287637.db2.gz HDGNKKDKTIIGQE-NEPJUHHUSA-N 1 0 313.448 2.672 20 5 DFBDRO CC(C)[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000608972360 399302421 /nfs/dbraw/zinc/30/24/21/399302421.db2.gz BQAQGJJUJWCSIE-HNNXBMFYSA-N 1 0 306.410 2.724 20 5 DFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CC(C)C ZINC000042547257 183282799 /nfs/dbraw/zinc/28/27/99/183282799.db2.gz ZMIZVODJEGIASS-LBPRGKRZSA-N 1 0 311.382 2.674 20 5 DFBDRO Cc1nccn1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260479 399311481 /nfs/dbraw/zinc/31/14/81/399311481.db2.gz RDCXCYDHXXCQKN-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601671234 399318402 /nfs/dbraw/zinc/31/84/02/399318402.db2.gz KMGLTYZRBLVPBH-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(=O)c1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000609620310 399326702 /nfs/dbraw/zinc/32/67/02/399326702.db2.gz PZVRSHWJLDYXNC-NSHDSACASA-N 1 0 305.378 2.940 20 5 DFBDRO Cc1c(C(=O)NC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000421684137 296272348 /nfs/dbraw/zinc/27/23/48/296272348.db2.gz IPJYUIBRMOYURD-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601739899 399329484 /nfs/dbraw/zinc/32/94/84/399329484.db2.gz RUMBNRHJHKHOCP-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CCOCC2)CC1 ZINC000283965885 217829077 /nfs/dbraw/zinc/82/90/77/217829077.db2.gz CDHGJBGVJHHWSN-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO CS[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274150822 211386666 /nfs/dbraw/zinc/38/66/66/211386666.db2.gz YFSYLUFAZPBRJO-HZPDHXFCSA-N 1 0 321.446 2.606 20 5 DFBDRO CCC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421850600 296277855 /nfs/dbraw/zinc/27/78/55/296277855.db2.gz DKBDBNIIWLIZNW-AWEZNQCLSA-N 1 0 305.378 2.681 20 5 DFBDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421878724 296278478 /nfs/dbraw/zinc/27/84/78/296278478.db2.gz NVUQYGLLPFDDQV-STQMWFEESA-N 1 0 308.378 2.830 20 5 DFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000619418339 399342710 /nfs/dbraw/zinc/34/27/10/399342710.db2.gz LFNCYUMANOGKIP-AWEZNQCLSA-N 1 0 307.325 2.547 20 5 DFBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619433844 399345831 /nfs/dbraw/zinc/34/58/31/399345831.db2.gz YZKZCOHEIFMRJC-NEPJUHHUSA-N 1 0 306.362 2.892 20 5 DFBDRO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000610277812 399352566 /nfs/dbraw/zinc/35/25/66/399352566.db2.gz TVCORQVMLOHVOR-CQSZACIVSA-N 1 0 305.378 2.668 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000284787403 218177963 /nfs/dbraw/zinc/17/79/63/218177963.db2.gz NTYXCGLZNVLHEH-HOTGVXAUSA-N 1 0 306.362 2.617 20 5 DFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284928926 218238261 /nfs/dbraw/zinc/23/82/61/218238261.db2.gz DKQXFKYZFYMBQG-IAQYHMDHSA-N 1 0 307.394 2.625 20 5 DFBDRO Cn1ccnc1CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105875695 194153819 /nfs/dbraw/zinc/15/38/19/194153819.db2.gz QOYDSFGZULGJNL-UHFFFAOYSA-N 1 0 314.389 2.783 20 5 DFBDRO C[N@H+](CCNc1cccnc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000610510465 399375442 /nfs/dbraw/zinc/37/54/42/399375442.db2.gz GAMHPYMRURJUEP-UHFFFAOYSA-N 1 0 304.325 2.673 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000610517616 399375891 /nfs/dbraw/zinc/37/58/91/399375891.db2.gz JWYPHHURVFVQON-WFASDCNBSA-N 1 0 315.377 2.574 20 5 DFBDRO CCOCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1CC ZINC000106117000 194187939 /nfs/dbraw/zinc/18/79/39/194187939.db2.gz ZKEBCWPOMHYTTO-MRXNPFEDSA-N 1 0 321.421 2.528 20 5 DFBDRO CCOCC[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1CC ZINC000106117081 194188175 /nfs/dbraw/zinc/18/81/75/194188175.db2.gz BLMWDIRDXQRONR-INIZCTEOSA-N 1 0 321.421 2.528 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@H]3CCCOC3)CC2)cc1 ZINC000610570051 399380924 /nfs/dbraw/zinc/38/09/24/399380924.db2.gz RVQNMRIHDSRMTL-AWEZNQCLSA-N 1 0 306.362 2.617 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)cc1[N+](=O)[O-] ZINC000106469487 194218982 /nfs/dbraw/zinc/21/89/82/194218982.db2.gz UJBPMYRWGYJBTP-GFCCVEGCSA-N 1 0 318.377 2.534 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610587001 399383318 /nfs/dbraw/zinc/38/33/18/399383318.db2.gz IHQUVAKRDGACDV-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO C[S@@](=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000610591761 399384336 /nfs/dbraw/zinc/38/43/36/399384336.db2.gz WNHFKFSUGIBVJG-OAQYLSRUSA-N 1 0 304.371 2.622 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4CC[C@@H](C3)[NH2+]4)o2)c1 ZINC000602022954 399385714 /nfs/dbraw/zinc/38/57/14/399385714.db2.gz UUCRWCUMUWHXHN-OKILXGFUSA-N 1 0 313.357 2.791 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1[N+](=O)[O-] ZINC000106789818 194254033 /nfs/dbraw/zinc/25/40/33/194254033.db2.gz ROLJFWPRYPZGJY-CYBMUJFWSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@H]([NH2+]CCCc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285306305 218373571 /nfs/dbraw/zinc/37/35/71/218373571.db2.gz SGXPITWYMDBCCX-LBPRGKRZSA-N 1 0 300.362 2.855 20 5 DFBDRO COC(=O)c1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000285366106 218399492 /nfs/dbraw/zinc/39/94/92/218399492.db2.gz QOWQKMZMKVVXEW-UHFFFAOYSA-N 1 0 318.329 2.649 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2 ZINC000285400929 218416913 /nfs/dbraw/zinc/41/69/13/218416913.db2.gz DYPOWWBXXLKSBA-AQFXKWCLSA-N 1 0 320.389 2.519 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610678137 399391896 /nfs/dbraw/zinc/39/18/96/399391896.db2.gz DKKNXIKLHBGQBK-KOLCDFICSA-N 1 0 315.320 2.948 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000610678654 399392000 /nfs/dbraw/zinc/39/20/00/399392000.db2.gz YVNZMSVZVMZXQN-XHDPSFHLSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)[C@@H](C)C1 ZINC000610678628 399392286 /nfs/dbraw/zinc/39/22/86/399392286.db2.gz XPTWXEGLPRROKV-FZMZJTMJSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602083193 399392599 /nfs/dbraw/zinc/39/25/99/399392599.db2.gz KQJVZXFQBNOCRW-HNNXBMFYSA-N 1 0 319.405 2.674 20 5 DFBDRO CC(C)(C)OCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000610682052 399393075 /nfs/dbraw/zinc/39/30/75/399393075.db2.gz NOHLZICBJBLDIC-CYBMUJFWSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](OC(F)F)C2)cc1 ZINC000619815601 399393225 /nfs/dbraw/zinc/39/32/25/399393225.db2.gz VPFFLPQOEWCBIW-ZDUSSCGKSA-N 1 0 316.304 2.677 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2OCCO2)CC1 ZINC000110084991 194308430 /nfs/dbraw/zinc/30/84/30/194308430.db2.gz CKRGSHJPNCJZPK-GFCCVEGCSA-N 1 0 306.362 2.741 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C2OCCO2)CC1 ZINC000110084989 194308545 /nfs/dbraw/zinc/30/85/45/194308545.db2.gz CKRGSHJPNCJZPK-LBPRGKRZSA-N 1 0 306.362 2.741 20 5 DFBDRO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000602133165 399399633 /nfs/dbraw/zinc/39/96/33/399399633.db2.gz ORGZQOMWWVHQMV-GFCCVEGCSA-N 1 0 307.394 2.750 20 5 DFBDRO Cc1c(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000602149058 399401594 /nfs/dbraw/zinc/40/15/94/399401594.db2.gz QKFROOJLLUKMKI-MRXNPFEDSA-N 1 0 317.389 2.536 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000056343668 184011312 /nfs/dbraw/zinc/01/13/12/184011312.db2.gz LRABXXSJKRMZKE-CYBMUJFWSA-N 1 0 320.393 2.838 20 5 DFBDRO C[NH+](C)CCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000056358158 184011566 /nfs/dbraw/zinc/01/15/66/184011566.db2.gz RWZKXZMGMKIMNZ-UHFFFAOYSA-N 1 0 320.393 2.790 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000610828320 399410476 /nfs/dbraw/zinc/41/04/76/399410476.db2.gz RSDBXUJZXFWZBF-AHIWAGSCSA-N 1 0 319.405 2.811 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000610828068 399410683 /nfs/dbraw/zinc/41/06/83/399410683.db2.gz JGMUOGXZNAYFIT-GHJWDPDVSA-N 1 0 319.405 2.811 20 5 DFBDRO CC[N@@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000611097911 399433480 /nfs/dbraw/zinc/43/34/80/399433480.db2.gz KNPMQTGODOMRBN-LBPRGKRZSA-N 1 0 320.393 2.770 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000061031004 184160508 /nfs/dbraw/zinc/16/05/08/184160508.db2.gz DPJVGGFXYQHVLK-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000269043079 207192364 /nfs/dbraw/zinc/19/23/64/207192364.db2.gz NLFNEAJHLXEFGN-KBPBESRZSA-N 1 0 322.409 2.600 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611158500 399440212 /nfs/dbraw/zinc/44/02/12/399440212.db2.gz QHKDJTUIGKPECA-WBMJQRKESA-N 1 0 324.352 2.945 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H](C(F)F)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000611180505 399442837 /nfs/dbraw/zinc/44/28/37/399442837.db2.gz YSQODWKGQWLZBQ-JTQLQIEISA-N 1 0 313.304 2.510 20 5 DFBDRO CC(C)[NH2+]CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602428458 399441533 /nfs/dbraw/zinc/44/15/33/399441533.db2.gz NUWFKACEQJOQMC-UHFFFAOYSA-N 1 0 319.405 2.521 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000269063708 207213214 /nfs/dbraw/zinc/21/32/14/207213214.db2.gz UUOWVVMKXQYKLA-PBHICJAKSA-N 1 0 320.389 2.730 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC2CCSCC2)CC1 ZINC000602433037 399442335 /nfs/dbraw/zinc/44/23/35/399442335.db2.gz KMWUAFGNFFJTRI-UHFFFAOYSA-N 1 0 321.446 2.860 20 5 DFBDRO CCC1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611262680 399453600 /nfs/dbraw/zinc/45/36/00/399453600.db2.gz JKTATSIWWDTBRI-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]([NH3+])CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602462808 399450582 /nfs/dbraw/zinc/45/05/82/399450582.db2.gz RLVWNXHRQXCRKA-LSDHHAIUSA-N 1 0 307.394 2.926 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000611248134 399451104 /nfs/dbraw/zinc/45/11/04/399451104.db2.gz BZNPBWKUOJFSAU-JSGCOSHPSA-N 1 0 307.394 2.738 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000602466868 399452489 /nfs/dbraw/zinc/45/24/89/399452489.db2.gz PLTMPLKMXIXATL-JSGCOSHPSA-N 1 0 307.394 2.844 20 5 DFBDRO C[C@@H](O)CCN(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602471983 399452796 /nfs/dbraw/zinc/45/27/96/399452796.db2.gz DXWZNNQDECQHJK-SSDOTTSWSA-N 1 0 323.212 2.622 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000611274780 399456447 /nfs/dbraw/zinc/45/64/47/399456447.db2.gz GFARFZCGEBRMIC-ZQUHVBMZSA-N 1 0 302.374 2.966 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCn1ccnc1 ZINC000602502131 399461631 /nfs/dbraw/zinc/46/16/31/399461631.db2.gz DHUDMQDNWOZZCG-UHFFFAOYSA-N 1 0 314.267 2.600 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC2CCCC2)cccc1[N+](=O)[O-] ZINC000611335746 399462753 /nfs/dbraw/zinc/46/27/53/399462753.db2.gz ZDHQCCXQULCAMR-GFCCVEGCSA-N 1 0 305.378 2.613 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000062979823 184264474 /nfs/dbraw/zinc/26/44/74/184264474.db2.gz NVKJRABFZLBCSW-CQSZACIVSA-N 1 0 309.797 2.918 20 5 DFBDRO Cc1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)o1 ZINC000602510072 399464099 /nfs/dbraw/zinc/46/40/99/399464099.db2.gz JBLUPCWDPADUID-UHFFFAOYSA-N 1 0 301.302 2.970 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC000611335670 399462809 /nfs/dbraw/zinc/46/28/09/399462809.db2.gz HIEAVPTVJHNPST-LBPRGKRZSA-N 1 0 305.378 2.613 20 5 DFBDRO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])ncn1 ZINC000611337251 399463050 /nfs/dbraw/zinc/46/30/50/399463050.db2.gz LFWHDFBNHAMRPE-LBPRGKRZSA-N 1 0 300.362 2.804 20 5 DFBDRO CC(C)NC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064349972 184295210 /nfs/dbraw/zinc/29/52/10/184295210.db2.gz RJYSGQCYOLYBMS-UHFFFAOYSA-N 1 0 307.394 2.720 20 5 DFBDRO CC[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCC1 ZINC000602509840 399464279 /nfs/dbraw/zinc/46/42/79/399464279.db2.gz UTWGPWYNOLBLCE-GFCCVEGCSA-N 1 0 318.377 2.700 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)Cc2ccccc2)cc1 ZINC000602524486 399468121 /nfs/dbraw/zinc/46/81/21/399468121.db2.gz KHTMEPLSGIOLJQ-KRWDZBQOSA-N 1 0 314.385 2.578 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602528630 399468447 /nfs/dbraw/zinc/46/84/47/399468447.db2.gz OFPIPVKNULPYNI-MRXNPFEDSA-N 1 0 319.405 2.788 20 5 DFBDRO [NH3+]Cc1cccc2c1N(C(=O)c1csc([N+](=O)[O-])c1)CCC2 ZINC000602540377 399471025 /nfs/dbraw/zinc/47/10/25/399471025.db2.gz NFPXMHDZRSRYJB-UHFFFAOYSA-N 1 0 317.370 2.708 20 5 DFBDRO CC(C)([NH2+]Cc1cnc2ccnn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000611402665 399471060 /nfs/dbraw/zinc/47/10/60/399471060.db2.gz KNXJPJWQLVHZNM-UHFFFAOYSA-N 1 0 311.345 2.662 20 5 DFBDRO CC1(C[NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)COC1 ZINC000602544604 399471738 /nfs/dbraw/zinc/47/17/38/399471738.db2.gz HYNCYCHUZRISMO-UHFFFAOYSA-N 1 0 321.196 2.545 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000602550996 399474118 /nfs/dbraw/zinc/47/41/18/399474118.db2.gz ATZRQCBNSBGAFH-GHMZBOCLSA-N 1 0 323.418 2.577 20 5 DFBDRO CC(C)C([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000611434167 399476303 /nfs/dbraw/zinc/47/63/03/399476303.db2.gz SZRDKKFGUXFLPO-AWEZNQCLSA-N 1 0 310.394 2.605 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422753967 296327115 /nfs/dbraw/zinc/32/71/15/296327115.db2.gz JBWKHUCSDAOGNA-ZIAGYGMSSA-N 1 0 319.405 2.638 20 5 DFBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOCC1 ZINC000602561751 399476490 /nfs/dbraw/zinc/47/64/90/399476490.db2.gz FADSWIUAGAHISD-UHFFFAOYSA-N 1 0 305.334 2.642 20 5 DFBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602561138 399475632 /nfs/dbraw/zinc/47/56/32/399475632.db2.gz MQKBHTZYVFGSBN-CYBMUJFWSA-N 1 0 307.350 2.887 20 5 DFBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568226 399478792 /nfs/dbraw/zinc/47/87/92/399478792.db2.gz JUPRWVBICXUIMX-MNOVXSKESA-N 1 0 305.334 2.641 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294431511 224025679 /nfs/dbraw/zinc/02/56/79/224025679.db2.gz UUDUDNYKAHMHMT-WNMQOVRZSA-N 1 0 305.378 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4OCC[C@@H]43)nc2c1 ZINC000602567903 399478140 /nfs/dbraw/zinc/47/81/40/399478140.db2.gz LVCFHYMMJXRLDL-BZPMIXESSA-N 1 0 317.345 2.783 20 5 DFBDRO Cc1ncc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c(=O)[nH]1 ZINC000346811336 284953962 /nfs/dbraw/zinc/95/39/62/284953962.db2.gz TZEHZXSNIBTSCX-NSHDSACASA-N 1 0 316.361 2.510 20 5 DFBDRO CC1(C)C[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568090 399479024 /nfs/dbraw/zinc/47/90/24/399479024.db2.gz WGEPKZBUFFCLJH-GFCCVEGCSA-N 1 0 304.394 2.594 20 5 DFBDRO C[C@@H]1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H](C)O1 ZINC000602580675 399481464 /nfs/dbraw/zinc/48/14/64/399481464.db2.gz YKFJYGUXLRAPQQ-NXEZZACHSA-N 1 0 305.334 2.782 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602580761 399481721 /nfs/dbraw/zinc/48/17/21/399481721.db2.gz FVJWJGOENBTDEC-MNOVXSKESA-N 1 0 305.334 2.641 20 5 DFBDRO CC[NH+](CC)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602585238 399483806 /nfs/dbraw/zinc/48/38/06/399483806.db2.gz DUXAXDKCTPXKHJ-UHFFFAOYSA-N 1 0 306.366 2.558 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000611515319 399485804 /nfs/dbraw/zinc/48/58/04/399485804.db2.gz HIBGDQFQHPJKCE-CYBMUJFWSA-N 1 0 316.361 2.706 20 5 DFBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000602610171 399489393 /nfs/dbraw/zinc/48/93/93/399489393.db2.gz GZRWTOUEWFCXGK-DLBZAZTESA-N 1 0 304.390 2.932 20 5 DFBDRO COCC[C@H](Cc1ccco1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602610317 399489605 /nfs/dbraw/zinc/48/96/05/399489605.db2.gz SPUOCOJBHICAFE-OAHLLOKOSA-N 1 0 318.373 2.968 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(OCCCO)CC1 ZINC000611516331 399486709 /nfs/dbraw/zinc/48/67/09/399486709.db2.gz GJPZEUKFPNGEJF-AWEZNQCLSA-N 1 0 322.405 2.828 20 5 DFBDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606311 399488394 /nfs/dbraw/zinc/48/83/94/399488394.db2.gz OWZIJGOQPVBZPX-NXEZZACHSA-N 1 0 318.295 2.816 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@@H](C4CC4)C3)nc2c1 ZINC000602616481 399491573 /nfs/dbraw/zinc/49/15/73/399491573.db2.gz JDVAZADVCLQMLI-IAQYHMDHSA-N 1 0 317.345 2.783 20 5 DFBDRO Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC2 ZINC000611567450 399492915 /nfs/dbraw/zinc/49/29/15/399492915.db2.gz XRTBQUNIZBAZMP-NSHDSACASA-N 1 0 314.345 2.678 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)n1 ZINC000611616886 399498953 /nfs/dbraw/zinc/49/89/53/399498953.db2.gz UWOQPTAUXJOLDR-UHFFFAOYSA-N 1 0 304.394 2.893 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616856 399499057 /nfs/dbraw/zinc/49/90/57/399499057.db2.gz RKSGLFGBOIHXDO-CQSZACIVSA-N 1 0 306.410 2.775 20 5 DFBDRO CO[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000602657413 399504986 /nfs/dbraw/zinc/50/49/86/399504986.db2.gz GFQAIXDWQGTHPT-KRWDZBQOSA-N 1 0 322.405 2.511 20 5 DFBDRO CC[NH+](CC)CCSc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000611704855 399507575 /nfs/dbraw/zinc/50/75/75/399507575.db2.gz CQKRNLHJHHGOLE-UHFFFAOYSA-N 1 0 306.391 2.972 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422830637 296341091 /nfs/dbraw/zinc/34/10/91/296341091.db2.gz VZTVPEDBYGEHAS-ZDUSSCGKSA-N 1 0 319.405 2.838 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708972 399508813 /nfs/dbraw/zinc/50/88/13/399508813.db2.gz OUCRJXXCADOLMW-XHDPSFHLSA-N 1 0 315.377 2.679 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000422843632 296343389 /nfs/dbraw/zinc/34/33/89/296343389.db2.gz IZVDRLKARMATEQ-MFKMUULPSA-N 1 0 323.418 2.516 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCSC[C@H]1CCO ZINC000347365769 285017016 /nfs/dbraw/zinc/01/70/16/285017016.db2.gz UMTMNHOHQBPVIW-LRFDDAOPSA-N 1 0 322.430 2.798 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000422858337 296345897 /nfs/dbraw/zinc/34/58/97/296345897.db2.gz ZUPWSRGRYDTEBP-JSGCOSHPSA-N 1 0 319.405 2.918 20 5 DFBDRO COCCO[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347386581 285025703 /nfs/dbraw/zinc/02/57/03/285025703.db2.gz YRBDJXDPUGXVNN-SHRNQRGKSA-N 1 0 320.389 2.735 20 5 DFBDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119774134 195034924 /nfs/dbraw/zinc/03/49/24/195034924.db2.gz PHUUQMQOKAJQNQ-ZNMIVQPWSA-N 1 0 321.421 2.745 20 5 DFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(F)F ZINC000602673349 399514650 /nfs/dbraw/zinc/51/46/50/399514650.db2.gz SNYBSDGMNCGFAF-LBPRGKRZSA-N 1 0 314.336 2.592 20 5 DFBDRO CO[C@@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602673645 399514748 /nfs/dbraw/zinc/51/47/48/399514748.db2.gz AHIHADYZQZFGCE-HNNXBMFYSA-N 1 0 305.334 2.641 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000602679200 399516958 /nfs/dbraw/zinc/51/69/58/399516958.db2.gz PLVUJGDUDOFCAJ-SKDRFNHKSA-N 1 0 318.295 2.864 20 5 DFBDRO Cc1nc(C[NH3+])ccc1[C@@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000422951701 296359919 /nfs/dbraw/zinc/35/99/19/296359919.db2.gz ZVLFOENMUKZHSQ-LLVKDONJSA-N 1 0 300.362 2.608 20 5 DFBDRO Cn1cc(C[N@@H+]2CCc3ccccc3C(C)(C)C2)c([N+](=O)[O-])n1 ZINC000602708619 399532817 /nfs/dbraw/zinc/53/28/17/399532817.db2.gz RGWJESPGZMGIDU-UHFFFAOYSA-N 1 0 314.389 2.664 20 5 DFBDRO O=[N+]([O-])c1sc(CN2C[C@@H]3C[C@@H]3C2)cc1Br ZINC000602721833 399540102 /nfs/dbraw/zinc/54/01/02/399540102.db2.gz XDLRGQYVROIKNY-KNVOCYPGSA-N 1 0 303.181 2.871 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2Cc3ccccc3CO2)cc1 ZINC000602721802 399540451 /nfs/dbraw/zinc/54/04/51/399540451.db2.gz WFYAZRWSXDSUNL-SFHVURJKSA-N 1 0 312.369 2.868 20 5 DFBDRO C[N@@H+]1CCCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724444 399541276 /nfs/dbraw/zinc/54/12/76/399541276.db2.gz SXTYGDLMJQKURX-GFCCVEGCSA-N 1 0 318.377 2.558 20 5 DFBDRO C[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCO[C@@H]1C1CC1 ZINC000273076457 210456301 /nfs/dbraw/zinc/45/63/01/210456301.db2.gz PNCNVPFCBURAPN-HZPDHXFCSA-N 1 0 306.362 2.521 20 5 DFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000611906772 399542591 /nfs/dbraw/zinc/54/25/91/399542591.db2.gz HFCDPJNTPUEMFT-OAHLLOKOSA-N 1 0 318.377 2.849 20 5 DFBDRO Cc1ccc(CC[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000602732410 399546040 /nfs/dbraw/zinc/54/60/40/399546040.db2.gz OIMVPOOEWVMLJX-SFHVURJKSA-N 1 0 314.385 2.943 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000364742398 285110600 /nfs/dbraw/zinc/11/06/00/285110600.db2.gz KSVDINKGNCSMTM-QGZVFWFLSA-N 1 0 314.389 2.889 20 5 DFBDRO [NH3+]C1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000159147516 197331457 /nfs/dbraw/zinc/33/14/57/197331457.db2.gz SKHKLDHQTXDMHD-UHFFFAOYSA-N 1 0 319.405 2.695 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])c1 ZINC000193681764 285112049 /nfs/dbraw/zinc/11/20/49/285112049.db2.gz CYSGGTKCQVHTJM-NSHDSACASA-N 1 0 321.333 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)CC(F)(F)F)C2CC2)cc1 ZINC000189791863 285112214 /nfs/dbraw/zinc/11/22/14/285112214.db2.gz ZFCLCBCHECRDBK-CYBMUJFWSA-N 1 0 318.295 2.873 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158939033 197313516 /nfs/dbraw/zinc/31/35/16/197313516.db2.gz KCOLMTCCXLFQSB-CJNGLKHVSA-N 1 0 319.405 2.520 20 5 DFBDRO Cn1cc(C[NH+]2CC(C)(C)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000602752690 399556080 /nfs/dbraw/zinc/55/60/80/399556080.db2.gz ZHSKGZPYHFGZGV-UHFFFAOYSA-N 1 0 300.362 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CC=CCC1)CCC2 ZINC000359062600 285144515 /nfs/dbraw/zinc/14/45/15/285144515.db2.gz YYTVTUPWYUSLAD-QGZVFWFLSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000120278533 195133993 /nfs/dbraw/zinc/13/39/93/195133993.db2.gz HHZOHPZIDKPBRG-WFASDCNBSA-N 1 0 320.393 2.625 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000602779865 399569959 /nfs/dbraw/zinc/56/99/59/399569959.db2.gz SYDCGCJJFZBLCN-MLGOLLRUSA-N 1 0 300.362 2.793 20 5 DFBDRO CCS[C@H]1CCCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602784086 399571413 /nfs/dbraw/zinc/57/14/13/399571413.db2.gz MILIKUSSROEFMW-ZDUSSCGKSA-N 1 0 312.439 2.707 20 5 DFBDRO CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000120304560 195139392 /nfs/dbraw/zinc/13/93/92/195139392.db2.gz VWSPJVJPFFQAAQ-CQSZACIVSA-N 1 0 317.345 2.659 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000332531394 285163497 /nfs/dbraw/zinc/16/34/97/285163497.db2.gz HFRAYCMBKWDFTB-OAHLLOKOSA-N 1 0 319.405 2.676 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271296616 208788074 /nfs/dbraw/zinc/78/80/74/208788074.db2.gz JHENEKUHRLRYHQ-SNVBAGLBSA-N 1 0 315.320 2.584 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000602789801 399574512 /nfs/dbraw/zinc/57/45/12/399574512.db2.gz ZDUTXGZTJXEASM-QGZVFWFLSA-N 1 0 314.389 2.763 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000602789800 399574870 /nfs/dbraw/zinc/57/48/70/399574870.db2.gz ZDUTXGZTJXEASM-KRWDZBQOSA-N 1 0 314.389 2.763 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000602808649 399583637 /nfs/dbraw/zinc/58/36/37/399583637.db2.gz NIJSDXDOGUXBSP-SWLSCSKDSA-N 1 0 315.377 2.578 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2ccco2)C2CCCC2)c1 ZINC000174823058 285189101 /nfs/dbraw/zinc/18/91/01/285189101.db2.gz WKKVYLDZHUPFDX-UHFFFAOYSA-N 1 0 304.350 2.829 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000602838255 399596023 /nfs/dbraw/zinc/59/60/23/399596023.db2.gz CRZNJOQNGOLMAF-LBPRGKRZSA-N 1 0 320.368 2.802 20 5 DFBDRO CCN(C#N)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602840809 399597860 /nfs/dbraw/zinc/59/78/60/399597860.db2.gz LVYWWMIZYMDCDF-OAHLLOKOSA-N 1 0 302.378 2.577 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000154477301 196968687 /nfs/dbraw/zinc/96/86/87/196968687.db2.gz YEYAFKFSGBBWEP-UHFFFAOYSA-N 1 0 311.407 2.564 20 5 DFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C(C)(C)C ZINC000602872958 399611585 /nfs/dbraw/zinc/61/15/85/399611585.db2.gz FEKGIHGMADIWCB-MRXNPFEDSA-N 1 0 321.421 2.636 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602888152 399616026 /nfs/dbraw/zinc/61/60/26/399616026.db2.gz LHVNSDCLPILJSD-HIFRSBDPSA-N 1 0 315.377 2.975 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2c2cn[nH]c2)cc1 ZINC000602887231 399616196 /nfs/dbraw/zinc/61/61/96/399616196.db2.gz NMKDTJBXJOVZPC-INIZCTEOSA-N 1 0 316.361 2.924 20 5 DFBDRO CCC[C@@H]([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120539472 195186976 /nfs/dbraw/zinc/18/69/76/195186976.db2.gz LGDHBPUXJAJADK-QGZVFWFLSA-N 1 0 321.421 2.748 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000120808561 195242025 /nfs/dbraw/zinc/24/20/25/195242025.db2.gz CNXMMHYXQQHMPE-UHFFFAOYSA-N 1 0 307.394 2.789 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]2c2ncccn2)c1 ZINC000602895840 399618236 /nfs/dbraw/zinc/61/82/36/399618236.db2.gz CPKHIQUNDKEZAV-HNNXBMFYSA-N 1 0 314.345 2.601 20 5 DFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000347979295 285279887 /nfs/dbraw/zinc/27/98/87/285279887.db2.gz FMJMOTDUSABMFS-UHFFFAOYSA-N 1 0 307.325 2.547 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000423586232 296431201 /nfs/dbraw/zinc/43/12/01/296431201.db2.gz YSZKQPLZYZJHPU-LLVKDONJSA-N 1 0 323.418 2.579 20 5 DFBDRO Cc1cnn([C@H]2CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000289716568 221175596 /nfs/dbraw/zinc/17/55/96/221175596.db2.gz CPNJZYNDNSDQDX-INIZCTEOSA-N 1 0 300.362 2.589 20 5 DFBDRO Cc1cc(Cl)c(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000294860398 224269777 /nfs/dbraw/zinc/26/97/77/224269777.db2.gz CZQXFMQORMVAGM-UHFFFAOYSA-N 1 0 323.780 2.548 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602931564 399632064 /nfs/dbraw/zinc/63/20/64/399632064.db2.gz OGKKYYYVNOPDRR-MKBNYLNASA-N 1 0 306.362 2.787 20 5 DFBDRO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967477 399642255 /nfs/dbraw/zinc/64/22/55/399642255.db2.gz JFNZICLKYJQKDS-GMTAPVOTSA-N 1 0 320.315 2.843 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997829 399654428 /nfs/dbraw/zinc/65/44/28/399654428.db2.gz RUCXVDUJTFWTCV-YCPHGPKFSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997828 399654433 /nfs/dbraw/zinc/65/44/33/399654433.db2.gz RUCXVDUJTFWTCV-LZWOXQAQSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c(F)c1 ZINC000602997225 399655139 /nfs/dbraw/zinc/65/51/39/399655139.db2.gz GAKQOQXXQOGANT-BPUTZDHNSA-N 1 0 308.353 2.859 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000603054405 399667412 /nfs/dbraw/zinc/66/74/12/399667412.db2.gz JLCIMKCENSFSHA-LLVKDONJSA-N 1 0 307.394 2.808 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@](C)(CO)c1ccccc1 ZINC000612580235 399681367 /nfs/dbraw/zinc/68/13/67/399681367.db2.gz CICQPPQBTPAIIS-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000612610330 399688624 /nfs/dbraw/zinc/68/86/24/399688624.db2.gz XZVAWKXFLDODNX-JOCHJYFZSA-N 1 0 318.398 2.930 20 5 DFBDRO O=[N+]([O-])c1ccccc1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000603187375 399705183 /nfs/dbraw/zinc/70/51/83/399705183.db2.gz SAKYNOIFWNJQKT-UHFFFAOYSA-N 1 0 315.377 2.657 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423709057 296441033 /nfs/dbraw/zinc/44/10/33/296441033.db2.gz QFUQAAVNKBEEJW-OCCSQVGLSA-N 1 0 319.405 2.966 20 5 DFBDRO Cc1nn(CC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322833 399743717 /nfs/dbraw/zinc/74/37/17/399743717.db2.gz VIBJEVQFWNLHRQ-RYUDHWBXSA-N 1 0 317.393 2.626 20 5 DFBDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000295013610 533566484 /nfs/dbraw/zinc/56/64/84/533566484.db2.gz MKFPQIUTABQUSP-OAHLLOKOSA-N 1 0 308.378 2.850 20 5 DFBDRO COc1cccc(NCCC[NH2+]Cc2cccnc2)c1[N+](=O)[O-] ZINC000322546580 533618894 /nfs/dbraw/zinc/61/88/94/533618894.db2.gz PJRUGTDANIKQBC-UHFFFAOYSA-N 1 0 316.361 2.590 20 5 DFBDRO CCc1nn(C)c(N(C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603423938 399773251 /nfs/dbraw/zinc/77/32/51/399773251.db2.gz RPDLPOMGMFYBRO-UHFFFAOYSA-N 1 0 323.441 2.593 20 5 DFBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423936496 296467946 /nfs/dbraw/zinc/46/79/46/296467946.db2.gz CNNLDWMIVNCSFK-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H](NC1CC[NH+](CC2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284091002 131047664 /nfs/dbraw/zinc/04/76/64/131047664.db2.gz MGTAEGVZZMHFHY-GFCCVEGCSA-N 1 0 318.421 2.702 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617742721 399785765 /nfs/dbraw/zinc/78/57/65/399785765.db2.gz VMSCNTBIVARQMX-CYBMUJFWSA-N 1 0 307.394 2.546 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1OC ZINC000366645162 131261342 /nfs/dbraw/zinc/26/13/42/131261342.db2.gz RRIRMUIKKAEPJN-ZBFHGGJFSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000366654767 131305369 /nfs/dbraw/zinc/30/53/69/131305369.db2.gz MHZIXVPHQVOWLZ-NWDGAFQWSA-N 1 0 317.345 2.594 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000366659783 131347965 /nfs/dbraw/zinc/34/79/65/131347965.db2.gz YBSYFIRMFBEDGY-QGZVFWFLSA-N 1 0 320.389 2.519 20 5 DFBDRO C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339837 285499016 /nfs/dbraw/zinc/49/90/16/285499016.db2.gz RLSCJIZVQQPVQU-IJEWVQPXSA-N 1 0 305.422 2.846 20 5 DFBDRO Cc1ccccc1C[NH+]1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603840152 399807778 /nfs/dbraw/zinc/80/77/78/399807778.db2.gz KNBWIZWXCPUFNF-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215996189 542875144 /nfs/dbraw/zinc/87/51/44/542875144.db2.gz MKIWKDZMGGDARU-IUCAKERBSA-N 1 0 303.284 2.787 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)cccc1[N+](=O)[O-] ZINC000348697836 285644837 /nfs/dbraw/zinc/64/48/37/285644837.db2.gz NJPPIWLKTUHEKG-DZGCQCFKSA-N 1 0 315.373 2.725 20 5 DFBDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173305747 145339556 /nfs/dbraw/zinc/33/95/56/145339556.db2.gz HKVHCESQFPYVJR-LBPRGKRZSA-N 1 0 313.357 2.805 20 5 DFBDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000173392636 145341346 /nfs/dbraw/zinc/34/13/46/145341346.db2.gz NVNIBIDQWHTDKI-LBPRGKRZSA-N 1 0 313.357 2.587 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000182036657 145629389 /nfs/dbraw/zinc/62/93/89/145629389.db2.gz HQVFCPARQBBCRT-HUUCEWRRSA-N 1 0 322.409 2.509 20 5 DFBDRO Cn1cc(C[NH2+]Cc2ccco2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237935725 146055503 /nfs/dbraw/zinc/05/55/03/146055503.db2.gz UAKMULLTECFPMS-UHFFFAOYSA-N 1 0 312.329 2.878 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000238013566 146056833 /nfs/dbraw/zinc/05/68/33/146056833.db2.gz FIDHZXMYRBDPTF-DKISHCGFSA-N 1 0 312.369 2.801 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245492757 146077975 /nfs/dbraw/zinc/07/79/75/146077975.db2.gz KBRZQQYNCZNHQP-WFASDCNBSA-N 1 0 320.393 2.789 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc1 ZINC000245706121 146096099 /nfs/dbraw/zinc/09/60/99/146096099.db2.gz FBZBIPSEDVBWSV-KGLIPLIRSA-N 1 0 302.378 2.832 20 5 DFBDRO C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000246036779 146115940 /nfs/dbraw/zinc/11/59/40/146115940.db2.gz PZZGYHZADNCUNS-CJNGLKHVSA-N 1 0 317.389 2.822 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000246062777 146117906 /nfs/dbraw/zinc/11/79/06/146117906.db2.gz YMYHFNNCTHKCHK-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000246743132 146154530 /nfs/dbraw/zinc/15/45/30/146154530.db2.gz WWLCBSZLRQXBJK-INIZCTEOSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000247782540 146170389 /nfs/dbraw/zinc/17/03/89/146170389.db2.gz TYNWFFYSNKFGLN-QWRGUYRKSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000255436753 146232465 /nfs/dbraw/zinc/23/24/65/146232465.db2.gz NZECJVNEEHBFSK-GMNBZTITSA-N 1 0 301.390 2.778 20 5 DFBDRO [NH3+]C[C@H]1CCCC[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261795452 146277132 /nfs/dbraw/zinc/27/71/32/146277132.db2.gz YEIDMKZDWFIZDN-SCZZXKLOSA-N 1 0 307.379 2.529 20 5 DFBDRO Cc1c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cccc1[N+](=O)[O-] ZINC000261801579 146278858 /nfs/dbraw/zinc/27/88/58/146278858.db2.gz FTQUYIFYKFSQFW-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000261871897 146292156 /nfs/dbraw/zinc/29/21/56/146292156.db2.gz XNAMXJANPJKLQO-XJKSGUPXSA-N 1 0 315.348 2.661 20 5 DFBDRO C[C@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262044292 146326195 /nfs/dbraw/zinc/32/61/95/146326195.db2.gz CEJXPGBHTJFSLC-NWDGAFQWSA-N 1 0 300.362 2.943 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000262070184 146329897 /nfs/dbraw/zinc/32/98/97/146329897.db2.gz FZRCWXQIOXACDD-UHFFFAOYSA-N 1 0 303.406 2.601 20 5 DFBDRO Cc1c(CN2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000262126023 146337200 /nfs/dbraw/zinc/33/72/00/146337200.db2.gz LAYSLDKKXQMPRT-UHFFFAOYSA-N 1 0 303.406 2.867 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262372540 146354847 /nfs/dbraw/zinc/35/48/47/146354847.db2.gz XPEJFNOECMCGTR-MNOVXSKESA-N 1 0 315.295 2.944 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000354371286 147010468 /nfs/dbraw/zinc/01/04/68/147010468.db2.gz GSMAMUHADMWWLU-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000355330484 147267656 /nfs/dbraw/zinc/26/76/56/147267656.db2.gz DFARIHDTRWKRCK-HNNXBMFYSA-N 1 0 314.389 2.844 20 5 DFBDRO CC[N@H+](CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1)C(C)C ZINC000357233283 147914344 /nfs/dbraw/zinc/91/43/44/147914344.db2.gz KVYOSUSBMSZPAE-UHFFFAOYSA-N 1 0 323.393 2.832 20 5 DFBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357931079 148180982 /nfs/dbraw/zinc/18/09/82/148180982.db2.gz PLRVQMVZACXDHK-MRXNPFEDSA-N 1 0 314.389 2.807 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)c1cnn(C)c1 ZINC000358020692 148215645 /nfs/dbraw/zinc/21/56/45/148215645.db2.gz GCLAAYLXOYXGOD-ZDUSSCGKSA-N 1 0 304.350 2.578 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCN1CC=C(C)CC1 ZINC000358169438 148268316 /nfs/dbraw/zinc/26/83/16/148268316.db2.gz PMQOMPRXHBIWFZ-UHFFFAOYSA-N 1 0 319.405 2.735 20 5 DFBDRO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000360605297 148887342 /nfs/dbraw/zinc/88/73/42/148887342.db2.gz QQQTYQGWUKHAEE-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000350699040 286075214 /nfs/dbraw/zinc/07/52/14/286075214.db2.gz DVABQHSIZITAIO-UHFFFAOYSA-N 1 0 306.341 2.843 20 5 DFBDRO C[C@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000361350308 149093527 /nfs/dbraw/zinc/09/35/27/149093527.db2.gz DWDMQFPDAXZQBD-WBVHZDCISA-N 1 0 304.390 2.667 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000361438052 149115797 /nfs/dbraw/zinc/11/57/97/149115797.db2.gz TWIIGEKQFPJURQ-SUMWQHHRSA-N 1 0 320.389 2.926 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+](CC2CC2)C2CCC2)c1 ZINC000361587381 149157853 /nfs/dbraw/zinc/15/78/53/149157853.db2.gz VTKNNPMMACVOQE-INIZCTEOSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000362743224 149356639 /nfs/dbraw/zinc/35/66/39/149356639.db2.gz WBNGAJNZUMFVBL-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO COCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426293753 296622985 /nfs/dbraw/zinc/62/29/85/296622985.db2.gz HTBLPVUONZBLHR-CHWSQXEVSA-N 1 0 310.398 2.537 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000371198095 150000714 /nfs/dbraw/zinc/00/07/14/150000714.db2.gz ZZRCYSZCRWILBQ-CVEARBPZSA-N 1 0 317.389 2.504 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nccn2C1 ZINC000371480943 150053831 /nfs/dbraw/zinc/05/38/31/150053831.db2.gz SCXISNWBTBETIX-HIFRSBDPSA-N 1 0 314.389 2.717 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccn2)C2CCCC2)n1 ZINC000371555696 150064637 /nfs/dbraw/zinc/06/46/37/150064637.db2.gz VFEWHRBOUJKOOT-MRXNPFEDSA-N 1 0 315.377 2.707 20 5 DFBDRO COc1cc(C[N@H+]2CCC[C@@H](OC)CC2)c([N+](=O)[O-])cc1OC ZINC000371685704 150080078 /nfs/dbraw/zinc/08/00/78/150080078.db2.gz NWHAEQZCNPAWDK-CYBMUJFWSA-N 1 0 324.377 2.613 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000371749070 150090342 /nfs/dbraw/zinc/09/03/42/150090342.db2.gz XVNHBTFXKZMVBI-OAHLLOKOSA-N 1 0 300.362 2.589 20 5 DFBDRO Cc1sc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000372433229 150173070 /nfs/dbraw/zinc/17/30/70/150173070.db2.gz CWTHWPWYZIITPV-UHFFFAOYSA-N 1 0 323.418 2.665 20 5 DFBDRO CC[C@@](C)(O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000372460072 150176164 /nfs/dbraw/zinc/17/61/64/150176164.db2.gz MDRHVWDHNCAZDZ-QGZVFWFLSA-N 1 0 319.405 2.736 20 5 DFBDRO CC(C)(NC(=O)C[C@H]1CCC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000372931394 150203884 /nfs/dbraw/zinc/20/38/84/150203884.db2.gz VYNDKGHZNYHENO-ZDUSSCGKSA-N 1 0 319.405 2.726 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000372977080 150210898 /nfs/dbraw/zinc/21/08/98/150210898.db2.gz IXYXFGAXZOPWQQ-GDBMZVCRSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351619760 286171814 /nfs/dbraw/zinc/17/18/14/286171814.db2.gz LFHRXUMJYPQWSJ-MNOVXSKESA-N 1 0 324.356 2.680 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000373167957 150240175 /nfs/dbraw/zinc/24/01/75/150240175.db2.gz XSIQXPHMCNYRIL-VFYPNZCPSA-N 1 0 318.373 2.536 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000373978969 150285941 /nfs/dbraw/zinc/28/59/41/150285941.db2.gz UMMUKXMFASVUCX-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374413646 150362426 /nfs/dbraw/zinc/36/24/26/150362426.db2.gz XZKHADBJIZPGKZ-ZIAGYGMSSA-N 1 0 320.389 2.852 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374413645 150362628 /nfs/dbraw/zinc/36/26/28/150362628.db2.gz XZKHADBJIZPGKZ-UONOGXRCSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000374469071 150372270 /nfs/dbraw/zinc/37/22/70/150372270.db2.gz NDONZYZJMOGBPK-DGCLKSJQSA-N 1 0 300.362 2.834 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351668308 286188221 /nfs/dbraw/zinc/18/82/21/286188221.db2.gz VPIQEANTJLOIBT-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352357380 286352032 /nfs/dbraw/zinc/35/20/32/286352032.db2.gz RAKMUUATVNAIOY-CQSZACIVSA-N 1 0 312.373 2.816 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358201 286352361 /nfs/dbraw/zinc/35/23/61/286352361.db2.gz WKOGDXPYGYCNEP-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000428562527 296705620 /nfs/dbraw/zinc/70/56/20/296705620.db2.gz UTZMOLYMFLSHOG-GFCCVEGCSA-N 1 0 302.305 2.697 20 5 DFBDRO COc1cc(C[NH2+]CC2(C(F)(F)F)CC2)c([N+](=O)[O-])cc1O ZINC000353048086 286538450 /nfs/dbraw/zinc/53/84/50/286538450.db2.gz OZGGSQGIVFIHNE-UHFFFAOYSA-N 1 0 320.267 2.741 20 5 DFBDRO C[C@H]1CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353135927 286559651 /nfs/dbraw/zinc/55/96/51/286559651.db2.gz KCHXKLQHBKTUCA-XHDPSFHLSA-N 1 0 300.362 2.883 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429240388 296737754 /nfs/dbraw/zinc/73/77/54/296737754.db2.gz TVUQBXCBHAQNKM-NSHDSACASA-N 1 0 302.305 2.697 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000182070837 158000904 /nfs/dbraw/zinc/00/09/04/158000904.db2.gz LEKZXWDOQVEEMN-LBPRGKRZSA-N 1 0 306.362 2.677 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000184719594 158037213 /nfs/dbraw/zinc/03/72/13/158037213.db2.gz CEZWRDAXOSMRAY-GFCCVEGCSA-N 1 0 306.362 2.677 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)c1 ZINC000185300668 158053563 /nfs/dbraw/zinc/05/35/63/158053563.db2.gz QZVWWQZUSJRYLR-LLVKDONJSA-N 1 0 322.315 2.559 20 5 DFBDRO Cc1cnc(OCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000185694135 158069217 /nfs/dbraw/zinc/06/92/17/158069217.db2.gz GPXWRKPQIYKONF-UHFFFAOYSA-N 1 0 319.336 2.948 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246366761 158088910 /nfs/dbraw/zinc/08/89/10/158088910.db2.gz YCDXUYRBGWRNTK-BZUAXINKSA-N 1 0 322.430 2.988 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246785215 158097962 /nfs/dbraw/zinc/09/79/62/158097962.db2.gz NRMBAAJCGHTNGP-ZFWWWQNUSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000248563468 158184785 /nfs/dbraw/zinc/18/47/85/158184785.db2.gz BHGDBQCSXVAENF-CABCVRRESA-N 1 0 308.403 2.610 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355127997 158279717 /nfs/dbraw/zinc/27/97/17/158279717.db2.gz HCYOOMXNZPDRRR-KBPBESRZSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357041722 158354995 /nfs/dbraw/zinc/35/49/95/158354995.db2.gz PLVQXISDJKNNDW-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000358384599 158374489 /nfs/dbraw/zinc/37/44/89/158374489.db2.gz ZJBITJMHAMSJRM-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCCO)CC1 ZINC000360099323 158436885 /nfs/dbraw/zinc/43/68/85/158436885.db2.gz SBPAFDGINCEMRQ-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430243288 296779907 /nfs/dbraw/zinc/77/99/07/296779907.db2.gz ZGARIPJNYBWFGR-HNNXBMFYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@](C)(C[NH3+])C(C)C ZINC000430585409 296797659 /nfs/dbraw/zinc/79/76/59/296797659.db2.gz SGLSMCOPVWLWQN-MRXNPFEDSA-N 1 0 309.410 2.845 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000430809072 296808554 /nfs/dbraw/zinc/80/85/54/296808554.db2.gz COSBOZVHYBLFPW-STQMWFEESA-N 1 0 323.393 2.818 20 5 DFBDRO C[C@@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273044240 287000861 /nfs/dbraw/zinc/00/08/61/287000861.db2.gz WORNBWMSUBEMOZ-SNVBAGLBSA-N 1 0 323.780 2.628 20 5 DFBDRO C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272481687 287055002 /nfs/dbraw/zinc/05/50/02/287055002.db2.gz CEMMHGQYXRDLMP-IAQYHMDHSA-N 1 0 300.362 2.806 20 5 DFBDRO O=C(CC[N@@H+]1CCC2(CCC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000128895433 196001465 /nfs/dbraw/zinc/00/14/65/196001465.db2.gz XDWKKYUQNYPGBE-UHFFFAOYSA-N 1 0 321.352 2.939 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129208174 196029387 /nfs/dbraw/zinc/02/93/87/196029387.db2.gz IPIPRHGSXBKUQL-ZDUSSCGKSA-N 1 0 320.393 2.627 20 5 DFBDRO C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CCC1CC1 ZINC000129308257 196038220 /nfs/dbraw/zinc/03/82/20/196038220.db2.gz OHLSDZFKGJPFPP-UHFFFAOYSA-N 1 0 309.341 2.794 20 5 DFBDRO C[NH2+]C[C@H](C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000129525539 196055447 /nfs/dbraw/zinc/05/54/47/196055447.db2.gz WAZNXXGMZVRFPF-QMMMGPOBSA-N 1 0 302.172 2.625 20 5 DFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000054057561 425889505 /nfs/dbraw/zinc/88/95/05/425889505.db2.gz YVTOFJXNESYZSM-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000132084746 196224860 /nfs/dbraw/zinc/22/48/60/196224860.db2.gz ZKJGAUZKEFBADT-QMTHXVAHSA-N 1 0 319.386 2.985 20 5 DFBDRO CCC[C@@H](C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000132926980 196297338 /nfs/dbraw/zinc/29/73/38/196297338.db2.gz AXDOMGQMHGMAIZ-OCCSQVGLSA-N 1 0 307.394 2.811 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000134132224 196364378 /nfs/dbraw/zinc/36/43/78/196364378.db2.gz GLNFXNCBNRTDIH-RRFJBIMHSA-N 1 0 321.421 2.663 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000433060454 296897185 /nfs/dbraw/zinc/89/71/85/296897185.db2.gz HBYFYVPCDSDKEO-PFSRBDOWSA-N 1 0 320.389 2.503 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000134247488 196373788 /nfs/dbraw/zinc/37/37/88/196373788.db2.gz SSUWICKDZYAEHS-LDYMZIIASA-N 1 0 315.167 2.624 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291161000 222184092 /nfs/dbraw/zinc/18/40/92/222184092.db2.gz CLGXSPRFBAAFNB-SFHVURJKSA-N 1 0 312.369 2.731 20 5 DFBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])cn1 ZINC000299347467 229064804 /nfs/dbraw/zinc/06/48/04/229064804.db2.gz XJLZVICMXVDRAB-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000302152386 230128002 /nfs/dbraw/zinc/12/80/02/230128002.db2.gz LBXWSEXYNAFJFT-AWEZNQCLSA-N 1 0 319.409 2.841 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000302152387 230128377 /nfs/dbraw/zinc/12/83/77/230128377.db2.gz LBXWSEXYNAFJFT-CQSZACIVSA-N 1 0 319.409 2.841 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066531607 425904647 /nfs/dbraw/zinc/90/46/47/425904647.db2.gz LSENMNMVHRHJHH-STQMWFEESA-N 1 0 317.389 2.747 20 5 DFBDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccco1 ZINC000067276836 425909467 /nfs/dbraw/zinc/90/94/67/425909467.db2.gz UVIAWIGOZGGKLM-LLVKDONJSA-N 1 0 321.333 2.594 20 5 DFBDRO Cc1cccc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000010812473 425704728 /nfs/dbraw/zinc/70/47/28/425704728.db2.gz GMFUGLCGRVWFLH-UHFFFAOYSA-N 1 0 319.405 2.942 20 5 DFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000025420281 425805212 /nfs/dbraw/zinc/80/52/12/425805212.db2.gz WZKSVCONBWHCBZ-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO CC(C)[NH+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000045794868 425862779 /nfs/dbraw/zinc/86/27/79/425862779.db2.gz NKQQFWIPQHZJLI-UHFFFAOYSA-N 1 0 308.382 2.835 20 5 DFBDRO CCOC(=O)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000039004263 425851024 /nfs/dbraw/zinc/85/10/24/425851024.db2.gz MBUTZCIHRYVNJF-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO CC(C)[N@H+](CCN1CCOC[C@H]1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000192701062 268045637 /nfs/dbraw/zinc/04/56/37/268045637.db2.gz RCXBPMHCZWATHN-OAHLLOKOSA-N 1 0 321.421 2.526 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000047873420 425872315 /nfs/dbraw/zinc/87/23/15/425872315.db2.gz XWTHNQCXQMWYON-JTQLQIEISA-N 1 0 309.395 2.590 20 5 DFBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406574 425869503 /nfs/dbraw/zinc/86/95/03/425869503.db2.gz ORWJNTFMTOCCNX-LLVKDONJSA-N 1 0 302.334 2.877 20 5 DFBDRO CC(C)(C)OC(=O)NC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000229841047 268145600 /nfs/dbraw/zinc/14/56/00/268145600.db2.gz ALOIYNAYYOEUMH-UHFFFAOYSA-N 1 0 321.377 2.740 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](CO)c1ccccc1 ZINC000264040803 268172341 /nfs/dbraw/zinc/17/23/41/268172341.db2.gz SALATGBDRFEKHV-MRXNPFEDSA-N 1 0 316.357 2.639 20 5 DFBDRO Cc1c(C[NH+]2CCC(C3(C)OCCO3)CC2)cccc1[N+](=O)[O-] ZINC000268103751 268183045 /nfs/dbraw/zinc/18/30/45/268183045.db2.gz LCWYQILSWVWCID-UHFFFAOYSA-N 1 0 320.389 2.878 20 5 DFBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000270961033 268241284 /nfs/dbraw/zinc/24/12/84/268241284.db2.gz HAOAJRSUAICYTO-BVKQBWKVSA-N 1 0 318.295 2.899 20 5 DFBDRO Cc1cc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000270965770 268241862 /nfs/dbraw/zinc/24/18/62/268241862.db2.gz HIVPSADRMMGOOT-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000271442563 268249262 /nfs/dbraw/zinc/24/92/62/268249262.db2.gz DONKNIQZMHXVDF-OLZOCXBDSA-N 1 0 305.378 2.563 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000286731256 268274414 /nfs/dbraw/zinc/27/44/14/268274414.db2.gz CZJOPEUIRWLOAM-BLLLJJGKSA-N 1 0 307.369 2.793 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000296330717 268302006 /nfs/dbraw/zinc/30/20/06/268302006.db2.gz QTDPMISXKZBZNI-MAZHCROVSA-N 1 0 320.389 2.897 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723580 268358955 /nfs/dbraw/zinc/35/89/55/268358955.db2.gz LUPYQAITKJJJTG-TZMCWYRMSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000125800241 425991589 /nfs/dbraw/zinc/99/15/89/425991589.db2.gz UYVVJRGGXUUOMO-CQSZACIVSA-N 1 0 307.394 2.940 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000126536161 426024064 /nfs/dbraw/zinc/02/40/64/426024064.db2.gz HQIOATRGNYWZBC-CHWSQXEVSA-N 1 0 305.378 2.565 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000337471707 268499453 /nfs/dbraw/zinc/49/94/53/268499453.db2.gz PVWINZCGHBNIKD-MDZLAQPJSA-N 1 0 321.377 2.709 20 5 DFBDRO CC[C@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000111255183 426042017 /nfs/dbraw/zinc/04/20/17/426042017.db2.gz WZVNPBJXCZVVGG-RYUDHWBXSA-N 1 0 323.393 2.908 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000074332776 426045996 /nfs/dbraw/zinc/04/59/96/426045996.db2.gz QOKYYXRPPSFRJY-UHFFFAOYSA-N 1 0 321.421 2.762 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000113232012 426108789 /nfs/dbraw/zinc/10/87/89/426108789.db2.gz LOAXZBSFGYUDNC-ZYHUDNBSSA-N 1 0 323.780 2.557 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000113248398 426109455 /nfs/dbraw/zinc/10/94/55/426109455.db2.gz LBKNFKFJOIIASF-QWHCGFSZSA-N 1 0 312.373 2.816 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000113267877 426110100 /nfs/dbraw/zinc/11/01/00/426110100.db2.gz USRCIZFKXWJAMT-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164188376 426112203 /nfs/dbraw/zinc/11/22/03/426112203.db2.gz QTLVGBDUEYUEDN-SWLSCSKDSA-N 1 0 320.393 2.753 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000164608827 426116065 /nfs/dbraw/zinc/11/60/65/426116065.db2.gz NVXITMHGSGXKEP-SMDDNHRTSA-N 1 0 320.393 2.753 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000114140287 426127383 /nfs/dbraw/zinc/12/73/83/426127383.db2.gz SQVYIHNCFGECQE-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)CO ZINC000077422531 426132907 /nfs/dbraw/zinc/13/29/07/426132907.db2.gz OHPJDOXJYGYYDB-GHMZBOCLSA-N 1 0 321.402 2.825 20 5 DFBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077422536 426133068 /nfs/dbraw/zinc/13/30/68/426133068.db2.gz OHPJDOXJYGYYDB-MNOVXSKESA-N 1 0 321.402 2.825 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000112465399 426080783 /nfs/dbraw/zinc/08/07/83/426080783.db2.gz HBJVKJWNWOZHTE-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)c(F)c1 ZINC000127791651 426085685 /nfs/dbraw/zinc/08/56/85/426085685.db2.gz BTMVYKSCIRAWEJ-UHFFFAOYSA-N 1 0 312.732 2.716 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000112635714 426086497 /nfs/dbraw/zinc/08/64/97/426086497.db2.gz DOBSHRBQWIMXRH-SECBINFHSA-N 1 0 314.183 2.769 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129758291 426140654 /nfs/dbraw/zinc/14/06/54/426140654.db2.gz GDFMNSPTKNMIFJ-TVQRCGJNSA-N 1 0 311.769 2.590 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000114725458 426143577 /nfs/dbraw/zinc/14/35/77/426143577.db2.gz ZLRXHRYSXJLXCM-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000077730501 426147004 /nfs/dbraw/zinc/14/70/04/426147004.db2.gz ZEYNODPSAZGWBH-AWEZNQCLSA-N 1 0 307.394 2.609 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000115521361 426166528 /nfs/dbraw/zinc/16/65/28/426166528.db2.gz BXAYLOORJHANHY-HIFRSBDPSA-N 1 0 322.409 2.539 20 5 DFBDRO COCCC[N@H+](C)CCNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000078372844 426166855 /nfs/dbraw/zinc/16/68/55/426166855.db2.gz IUYDHCKKRFSMAQ-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338472667 268682234 /nfs/dbraw/zinc/68/22/34/268682234.db2.gz CVEABOAJAYMNAI-HNNXBMFYSA-N 1 0 319.405 2.865 20 5 DFBDRO CC(C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000132411545 426170039 /nfs/dbraw/zinc/17/00/39/426170039.db2.gz UDZFVJYKNXYEHX-INIZCTEOSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000132439975 426170191 /nfs/dbraw/zinc/17/01/91/426170191.db2.gz WWWDKWPRQDPXFZ-DTWKUNHWSA-N 1 0 303.284 2.787 20 5 DFBDRO CSc1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000171103222 426170521 /nfs/dbraw/zinc/17/05/21/426170521.db2.gz IGNMKFZNEOQICJ-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000133327007 426173986 /nfs/dbraw/zinc/17/39/86/426173986.db2.gz OOTBJFOBXNGVDM-LBPRGKRZSA-N 1 0 323.368 2.586 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000133918258 426185354 /nfs/dbraw/zinc/18/53/54/426185354.db2.gz JCPKDVJCYAHKRC-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000079625479 426198627 /nfs/dbraw/zinc/19/86/27/426198627.db2.gz DIWXOEDQBCOFHI-GFCCVEGCSA-N 1 0 320.393 2.757 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135617795 426224926 /nfs/dbraw/zinc/22/49/26/426224926.db2.gz PTVHVVDNTVLSNH-INIZCTEOSA-N 1 0 314.389 2.880 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000173784005 426247507 /nfs/dbraw/zinc/24/75/07/426247507.db2.gz AJRSQSOELYRROX-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173781751 426247785 /nfs/dbraw/zinc/24/77/85/426247785.db2.gz VQHDYRGTDRTXJR-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000174187353 426252188 /nfs/dbraw/zinc/25/21/88/426252188.db2.gz CFSXNTFNRBJPPN-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171766874 426210414 /nfs/dbraw/zinc/21/04/14/426210414.db2.gz YRFHXMAHXSUVIU-SLEUVZQESA-N 1 0 305.378 2.724 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117338557 426211828 /nfs/dbraw/zinc/21/18/28/426211828.db2.gz DPCQTGMJRZMZJZ-LLVKDONJSA-N 1 0 307.350 2.623 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](COC)C1 ZINC000175230624 426290208 /nfs/dbraw/zinc/29/02/08/426290208.db2.gz UNHROHWBCHUWTA-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO CCC[C@@H]([NH2+]CCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000089517652 426295252 /nfs/dbraw/zinc/29/52/52/426295252.db2.gz OYTIVOQOSJREEV-CQSZACIVSA-N 1 0 304.350 2.960 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000151435916 426295362 /nfs/dbraw/zinc/29/53/62/426295362.db2.gz OKMTVWPKVXDZQF-KBPBESRZSA-N 1 0 310.394 2.587 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)cc1[N+](=O)[O-] ZINC000151430221 426295733 /nfs/dbraw/zinc/29/57/33/426295733.db2.gz QSSIMUAKAUKXHQ-UKRRQHHQSA-N 1 0 310.394 2.587 20 5 DFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])s1)C2 ZINC000175040075 426276089 /nfs/dbraw/zinc/27/60/89/426276089.db2.gz UFYKPDRGQPWWTJ-NWDGAFQWSA-N 1 0 323.418 2.744 20 5 DFBDRO CC(C)CCOCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523126 426276358 /nfs/dbraw/zinc/27/63/58/426276358.db2.gz GDQNILNRKIPXSN-CQSZACIVSA-N 1 0 322.409 2.539 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CCN(c2cccs2)CC1 ZINC000121434863 426342229 /nfs/dbraw/zinc/34/22/29/426342229.db2.gz ZMFFZJBNGWYOND-UHFFFAOYSA-N 1 0 303.387 2.979 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000121962527 426356914 /nfs/dbraw/zinc/35/69/14/426356914.db2.gz BMBUAYTZTIWWIO-UHFFFAOYSA-N 1 0 320.393 2.837 20 5 DFBDRO CC[N@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000152869252 426358718 /nfs/dbraw/zinc/35/87/18/426358718.db2.gz HEXMMFWAEJTCHM-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccccc3)CC2)n1 ZINC000176202524 426359727 /nfs/dbraw/zinc/35/97/27/426359727.db2.gz JJZHGOFGBLQUIA-UHFFFAOYSA-N 1 0 300.362 2.671 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000122143091 426360609 /nfs/dbraw/zinc/36/06/09/426360609.db2.gz WXBBZMMQWUQCLE-CJNGLKHVSA-N 1 0 308.378 2.831 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152940961 426362709 /nfs/dbraw/zinc/36/27/09/426362709.db2.gz VBBHOHGAVCYNIB-MELADBBJSA-N 1 0 317.389 2.962 20 5 DFBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176244006 426363347 /nfs/dbraw/zinc/36/33/47/426363347.db2.gz WTHULDQCBMUNEC-INIZCTEOSA-N 1 0 314.389 2.807 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153045559 426368203 /nfs/dbraw/zinc/36/82/03/426368203.db2.gz MSVUXPPZPIFZSF-UKRRQHHQSA-N 1 0 312.373 2.919 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122500197 426378808 /nfs/dbraw/zinc/37/88/08/426378808.db2.gz YMYHFNNCTHKCHK-AGIUHOORSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCC2)C1 ZINC000123072878 426412246 /nfs/dbraw/zinc/41/22/46/426412246.db2.gz FKJGSAYNMYIFIR-GFCCVEGCSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(CCC2)C1 ZINC000123072609 426413050 /nfs/dbraw/zinc/41/30/50/426413050.db2.gz FKJGSAYNMYIFIR-LBPRGKRZSA-N 1 0 303.362 2.798 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000123138224 426416569 /nfs/dbraw/zinc/41/65/69/426416569.db2.gz GEEVTGMSUZYELA-HNNXBMFYSA-N 1 0 320.320 2.566 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176899757 426423066 /nfs/dbraw/zinc/42/30/66/426423066.db2.gz HTLROYGQRKNVPD-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000340880052 269026510 /nfs/dbraw/zinc/02/65/10/269026510.db2.gz LCTCBSCCGKRVOV-UKRRQHHQSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000177218658 426454866 /nfs/dbraw/zinc/45/48/66/426454866.db2.gz AFYQCDMAAPTDHR-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H](c1ccccc1)N(CC(N)=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000123872825 426458082 /nfs/dbraw/zinc/45/80/82/426458082.db2.gz TURXFNXVUZZBJE-CYBMUJFWSA-N 1 0 313.357 2.643 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000177464238 426481873 /nfs/dbraw/zinc/48/18/73/426481873.db2.gz XCZYNUZLRDCYCR-KZGTWKPJSA-N 1 0 317.389 2.597 20 5 DFBDRO CCC(=O)c1ccc(NCC[N@H+](C)CCCOC)c([N+](=O)[O-])c1 ZINC000280163169 426510627 /nfs/dbraw/zinc/51/06/27/426510627.db2.gz CAQLIZDTQWAWDZ-UHFFFAOYSA-N 1 0 323.393 2.568 20 5 DFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000186365852 426515147 /nfs/dbraw/zinc/51/51/47/426515147.db2.gz XMSLPYMVNJKAFP-LBPRGKRZSA-N 1 0 321.377 2.551 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000177753178 426516803 /nfs/dbraw/zinc/51/68/03/426516803.db2.gz WYYIOTVBBQSXMZ-CABCVRRESA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288261396 426517464 /nfs/dbraw/zinc/51/74/64/426517464.db2.gz GNEVXLXPHIQLIQ-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO Cn1nccc1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000195504413 426529987 /nfs/dbraw/zinc/52/99/87/426529987.db2.gz OQGQIKWGHCLTPD-UHFFFAOYSA-N 1 0 314.389 2.750 20 5 DFBDRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195517867 426533694 /nfs/dbraw/zinc/53/36/94/426533694.db2.gz ZILZDNRHYLAZFG-ZDUSSCGKSA-N 1 0 316.361 2.741 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280288041 426542898 /nfs/dbraw/zinc/54/28/98/426542898.db2.gz DYGMWMNYBABISV-HOTGVXAUSA-N 1 0 308.378 2.519 20 5 DFBDRO C[C@@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000177976983 426549040 /nfs/dbraw/zinc/54/90/40/426549040.db2.gz QPTOJABHAVRAHP-KBPBESRZSA-N 1 0 319.405 2.579 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539059 426552121 /nfs/dbraw/zinc/55/21/21/426552121.db2.gz OQXSYPGNNQUVOB-HNNXBMFYSA-N 1 0 300.362 2.950 20 5 DFBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177531953 426493465 /nfs/dbraw/zinc/49/34/65/426493465.db2.gz UFIXTWZPJJFSHL-CZUORRHYSA-N 1 0 300.362 2.669 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264548792 426572407 /nfs/dbraw/zinc/57/24/07/426572407.db2.gz CJACUKUEPSOEHA-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272647996 426573128 /nfs/dbraw/zinc/57/31/28/426573128.db2.gz PJXWNLVAGCGFAL-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273098920 426592497 /nfs/dbraw/zinc/59/24/97/426592497.db2.gz VJORMFCYZBKYEB-JKSUJKDBSA-N 1 0 306.362 2.651 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000265195920 426594854 /nfs/dbraw/zinc/59/48/54/426594854.db2.gz ZINOSWTZUAREIV-QGZVFWFLSA-N 1 0 300.358 2.803 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)cc1[N+](=O)[O-] ZINC000273164887 426604213 /nfs/dbraw/zinc/60/42/13/426604213.db2.gz UXBBJUSMYDHSIS-QGZVFWFLSA-N 1 0 314.385 2.987 20 5 DFBDRO CC[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000178343269 426609899 /nfs/dbraw/zinc/60/98/99/426609899.db2.gz AVJXCWOWHKTSBR-OAHLLOKOSA-N 1 0 305.378 2.648 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000280601621 426611755 /nfs/dbraw/zinc/61/17/55/426611755.db2.gz YGZGPIJFOALAPR-JJRVBVJISA-N 1 0 320.389 2.672 20 5 DFBDRO C[C@@H](O)c1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289351275 426633598 /nfs/dbraw/zinc/63/35/98/426633598.db2.gz JFEXVHSUIVBUDG-LLVKDONJSA-N 1 0 321.402 2.779 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346172 426649077 /nfs/dbraw/zinc/64/90/77/426649077.db2.gz BPWUXTQTOXJFOY-MNOVXSKESA-N 1 0 324.356 2.728 20 5 DFBDRO Cn1nc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000187391155 426657949 /nfs/dbraw/zinc/65/79/49/426657949.db2.gz WGMTXCRQOFSFDP-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO CCC[C@H]([NH2+]CCCN1CCOC1=O)c1cccc([N+](=O)[O-])c1 ZINC000178589021 426660929 /nfs/dbraw/zinc/66/09/29/426660929.db2.gz PIWYLUAFAOBOQC-HNNXBMFYSA-N 1 0 321.377 2.868 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[NH+]1CCCC1 ZINC000236142635 426663323 /nfs/dbraw/zinc/66/33/23/426663323.db2.gz AMCNGCDOJJYVHJ-UHFFFAOYSA-N 1 0 304.272 2.516 20 5 DFBDRO CC(C)(NC(=O)CCC1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000236652866 426670208 /nfs/dbraw/zinc/67/02/08/426670208.db2.gz QLGQPUJZISDQJY-UHFFFAOYSA-N 1 0 319.405 2.726 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273522615 426678783 /nfs/dbraw/zinc/67/87/83/426678783.db2.gz YYWFLAXJSJYVGV-UHFFFAOYSA-N 1 0 324.356 2.539 20 5 DFBDRO Cc1occc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000178724955 426682313 /nfs/dbraw/zinc/68/23/13/426682313.db2.gz SKVNVLCWCNIDGP-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO O=[N+]([O-])c1cnc(NCc2ccccc2C[NH+]2CCCC2)nc1 ZINC000273580144 426690537 /nfs/dbraw/zinc/69/05/37/426690537.db2.gz FNLSIWATOGLQQL-UHFFFAOYSA-N 1 0 313.361 2.593 20 5 DFBDRO CCOc1ccc(NC(=O)CN2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280935844 426688993 /nfs/dbraw/zinc/68/89/93/426688993.db2.gz VQRKPDXSBRPIFQ-UHFFFAOYSA-N 1 0 319.361 2.584 20 5 DFBDRO CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265900045 426706571 /nfs/dbraw/zinc/70/65/71/426706571.db2.gz URNMHEAVMCKNLB-ZDUSSCGKSA-N 1 0 323.393 2.669 20 5 DFBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178867498 426709704 /nfs/dbraw/zinc/70/97/04/426709704.db2.gz MVFQLOJHWBRCKE-SJORKVTESA-N 1 0 315.373 2.804 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000266125674 426722343 /nfs/dbraw/zinc/72/23/43/426722343.db2.gz PYMUGOWXTRVSMH-CHWSQXEVSA-N 1 0 300.362 2.879 20 5 DFBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000290231984 426720567 /nfs/dbraw/zinc/72/05/67/426720567.db2.gz IRQDPOTYXCYCSM-UXEPBGEESA-N 1 0 314.341 2.740 20 5 DFBDRO CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@@H]1CC[NH2+]C1 ZINC000178917284 426720553 /nfs/dbraw/zinc/72/05/53/426720553.db2.gz PHXJLSVQVOHOOG-GFCCVEGCSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000273611885 426696178 /nfs/dbraw/zinc/69/61/78/426696178.db2.gz MGJWGUGCFDOMMY-ZDUSSCGKSA-N 1 0 317.349 2.535 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000266868110 426785794 /nfs/dbraw/zinc/78/57/94/426785794.db2.gz JHDGDKJADKTPIF-CABCVRRESA-N 1 0 317.389 2.514 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000266831884 426786682 /nfs/dbraw/zinc/78/66/82/426786682.db2.gz DWGQTOSDJACMNT-DCBWTQNWSA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000188133081 426725359 /nfs/dbraw/zinc/72/53/59/426725359.db2.gz MXLHLTJLAKDUEY-LLVKDONJSA-N 1 0 308.769 2.838 20 5 DFBDRO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245985064 426789056 /nfs/dbraw/zinc/78/90/56/426789056.db2.gz WDCGVDQCJTXBDS-XJKSGUPXSA-N 1 0 308.378 2.783 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179551136 426800014 /nfs/dbraw/zinc/80/00/14/426800014.db2.gz BQKKZHWMRIQKIU-AWEZNQCLSA-N 1 0 319.405 2.734 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000290607865 426803154 /nfs/dbraw/zinc/80/31/54/426803154.db2.gz FLKNAVGWRFMPRZ-SECBINFHSA-N 1 0 309.395 2.740 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000188985194 426807644 /nfs/dbraw/zinc/80/76/44/426807644.db2.gz TWHTZIJHRWDBKL-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO COC[C@](C)([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000274679524 426816972 /nfs/dbraw/zinc/81/69/72/426816972.db2.gz HVCROJZUBBLRKU-LLVKDONJSA-N 1 0 308.165 2.677 20 5 DFBDRO COCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1ccccc1 ZINC000267088619 426821107 /nfs/dbraw/zinc/82/11/07/426821107.db2.gz PJAKYTJHCXXCSW-CQSZACIVSA-N 1 0 318.377 2.501 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2ccc(F)cc2)C2CC2)n1 ZINC000267077690 426821135 /nfs/dbraw/zinc/82/11/35/426821135.db2.gz MDHDAWNNPQKNGB-UHFFFAOYSA-N 1 0 318.352 2.638 20 5 DFBDRO CC(C)OCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000267078540 426821249 /nfs/dbraw/zinc/82/12/49/426821249.db2.gz RZGSCWAZGYKOCD-UHFFFAOYSA-N 1 0 307.394 2.896 20 5 DFBDRO Cc1cc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)ccc1[N+](=O)[O-] ZINC000274774738 426833006 /nfs/dbraw/zinc/83/30/06/426833006.db2.gz DJYWBJNCUAAVEL-GFCCVEGCSA-N 1 0 318.377 2.675 20 5 DFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282169869 426843397 /nfs/dbraw/zinc/84/33/97/426843397.db2.gz MEQIDUBICUJCIL-KGLIPLIRSA-N 1 0 308.378 2.898 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)CC)cc1[N+](=O)[O-] ZINC000189404839 426849875 /nfs/dbraw/zinc/84/98/75/426849875.db2.gz SKMYGWUCZPZBKI-VXGBXAGGSA-N 1 0 323.393 2.511 20 5 DFBDRO CCC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282205150 426854415 /nfs/dbraw/zinc/85/44/15/426854415.db2.gz HARCUGJNZLYSHP-LHSJRXKWSA-N 1 0 310.419 2.937 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000266886556 426790790 /nfs/dbraw/zinc/79/07/90/426790790.db2.gz CIQNOLHDADQRKP-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266900581 426791727 /nfs/dbraw/zinc/79/17/27/426791727.db2.gz UECSYTKLMOSMKL-KBPBESRZSA-N 1 0 316.357 2.685 20 5 DFBDRO C[NH+](C)CCC1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268120538 426919645 /nfs/dbraw/zinc/91/96/45/426919645.db2.gz ANMFLWREUOZWPB-UHFFFAOYSA-N 1 0 323.368 2.538 20 5 DFBDRO O=[N+]([O-])c1ccn(CCN2CC[C@H]2c2ccc(Cl)cc2)n1 ZINC000267301023 426867670 /nfs/dbraw/zinc/86/76/70/426867670.db2.gz CTZJUZVQNXMUQX-ZDUSSCGKSA-N 1 0 306.753 2.892 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)(C)O ZINC000295225251 426868833 /nfs/dbraw/zinc/86/88/33/426868833.db2.gz WEXOHMDDGKWJFC-GFCCVEGCSA-N 1 0 310.394 2.973 20 5 DFBDRO COC(=O)[C@]1(C)C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282277947 426870216 /nfs/dbraw/zinc/87/02/16/426870216.db2.gz DSJUTGSGUNDKRA-BFQNTYOBSA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1c(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246898843 426877122 /nfs/dbraw/zinc/87/71/22/426877122.db2.gz YDBKLXCQPRLRKS-WCQYABFASA-N 1 0 320.393 2.850 20 5 DFBDRO CN(C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000275632852 426882324 /nfs/dbraw/zinc/88/23/24/426882324.db2.gz BJBHKVMVGZPAAO-MRXNPFEDSA-N 1 0 317.433 2.990 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000295271546 426887288 /nfs/dbraw/zinc/88/72/88/426887288.db2.gz HSKLHNLOBZQGPZ-GOSISDBHSA-N 1 0 314.385 2.673 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247030407 426895508 /nfs/dbraw/zinc/89/55/08/426895508.db2.gz HSEGGJICVOSJAC-IUODEOHRSA-N 1 0 319.405 2.616 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOCC(F)F)C2CC2)c1 ZINC000189577703 426896252 /nfs/dbraw/zinc/89/62/52/426896252.db2.gz UTUVJYRLQNOMKD-UHFFFAOYSA-N 1 0 300.305 2.841 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415195 426906277 /nfs/dbraw/zinc/90/62/77/426906277.db2.gz IVXCKOMCAJPJLS-KBPBESRZSA-N 1 0 321.421 2.762 20 5 DFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCc1cn[nH]c1 ZINC000291539661 426910526 /nfs/dbraw/zinc/91/05/26/426910526.db2.gz LDIXPFKYLUPDRF-UHFFFAOYSA-N 1 0 315.160 2.957 20 5 DFBDRO C[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000291562594 426913771 /nfs/dbraw/zinc/91/37/71/426913771.db2.gz YBMFZPCNMDOJCD-SSDOTTSWSA-N 1 0 320.176 2.582 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[NH+](C)C ZINC000291694884 426953934 /nfs/dbraw/zinc/95/39/34/426953934.db2.gz FXFRZPTWIYQTAZ-SECBINFHSA-N 1 0 314.773 2.567 20 5 DFBDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189805558 426956301 /nfs/dbraw/zinc/95/63/01/426956301.db2.gz XJMYHOIRFBXCCK-SWLSCSKDSA-N 1 0 323.393 2.573 20 5 DFBDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189812381 426956333 /nfs/dbraw/zinc/95/63/33/426956333.db2.gz TULRLEMNEAHSJU-WFASDCNBSA-N 1 0 323.393 2.573 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000181734765 426977583 /nfs/dbraw/zinc/97/75/83/426977583.db2.gz LIRJVLAPYZZZIL-HUUCEWRRSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295489639 426979056 /nfs/dbraw/zinc/97/90/56/426979056.db2.gz ZVJYBYCIMRPIJM-BLLLJJGKSA-N 1 0 317.389 2.646 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000248326265 426991170 /nfs/dbraw/zinc/99/11/70/426991170.db2.gz BTRAYRCSMWLPJK-SRVKXCTJSA-N 1 0 321.377 2.661 20 5 DFBDRO CCC1(C)CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000337705296 426930719 /nfs/dbraw/zinc/93/07/19/426930719.db2.gz ZQGGOICSYFCZFJ-HNNXBMFYSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+](C3CC3)CC2)c(Cl)c1 ZINC000182099723 427013685 /nfs/dbraw/zinc/01/36/85/427013685.db2.gz VDBNIYOVETYDPK-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000283461695 427017722 /nfs/dbraw/zinc/01/77/22/427017722.db2.gz VLKZFZLKFHQURF-CABCVRRESA-N 1 0 317.389 2.837 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)C ZINC000276255105 427017808 /nfs/dbraw/zinc/01/78/08/427017808.db2.gz AEHVOYBYUGASKM-UHFFFAOYSA-N 1 0 312.341 2.755 20 5 DFBDRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248636427 427025374 /nfs/dbraw/zinc/02/53/74/427025374.db2.gz YCJAXMPGJVVEKF-LSDHHAIUSA-N 1 0 322.405 2.989 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000276289898 427026670 /nfs/dbraw/zinc/02/66/70/427026670.db2.gz WRYNUEFUOPTHST-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000248895404 427062397 /nfs/dbraw/zinc/06/23/97/427062397.db2.gz LGAJRMBGMIAAJY-KSLFURFDSA-N 1 0 318.373 2.739 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295991581 427038815 /nfs/dbraw/zinc/03/88/15/427038815.db2.gz LZTNDMMSLVBZGE-YHWZYXNKSA-N 1 0 303.362 2.835 20 5 DFBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1C(F)(F)F ZINC000190205019 427046994 /nfs/dbraw/zinc/04/69/94/427046994.db2.gz DVFNZJXVXYSBEJ-JTQLQIEISA-N 1 0 320.315 2.702 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000276424587 427064441 /nfs/dbraw/zinc/06/44/41/427064441.db2.gz OJARMKHLZSBPLR-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000249004840 427075121 /nfs/dbraw/zinc/07/51/21/427075121.db2.gz SHMHMWYVNQSVIO-IUODEOHRSA-N 1 0 320.393 2.753 20 5 DFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CCC[N@H+](C)C1 ZINC000276540831 427095390 /nfs/dbraw/zinc/09/53/90/427095390.db2.gz DFABCHOZJCVEJB-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000249259269 427102635 /nfs/dbraw/zinc/10/26/35/427102635.db2.gz GRLQAWZVRYABQD-WCQYABFASA-N 1 0 304.375 2.909 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967514 427109237 /nfs/dbraw/zinc/10/92/37/427109237.db2.gz GLKCFQHVVTWXEE-QFYYESIMSA-N 1 0 319.336 2.700 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@H](C)C1 ZINC000190453944 427112283 /nfs/dbraw/zinc/11/22/83/427112283.db2.gz DMPJSAGFNUGZHP-NEPJUHHUSA-N 1 0 323.418 2.607 20 5 DFBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000182625364 427113436 /nfs/dbraw/zinc/11/34/36/427113436.db2.gz WKCFPJYAZMQDAL-ZDUSSCGKSA-N 1 0 318.377 2.929 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940857 427138193 /nfs/dbraw/zinc/13/81/93/427138193.db2.gz AGSKZFSZIPVWLW-XJKSGUPXSA-N 1 0 307.369 2.650 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000249775503 427144698 /nfs/dbraw/zinc/14/46/98/427144698.db2.gz WGZUNBHTCDNQOD-XQQFMLRXSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000953 427145420 /nfs/dbraw/zinc/14/54/20/427145420.db2.gz UWQPCEFBJQFBBE-WFASDCNBSA-N 1 0 309.435 2.683 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277272269 427146952 /nfs/dbraw/zinc/14/69/52/427146952.db2.gz RSCPFHVTBVDEQB-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)C1 ZINC000292251950 427148462 /nfs/dbraw/zinc/14/84/62/427148462.db2.gz KGXSGPUPZRMSGI-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO [NH3+]CCCCCCC(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000269258147 427153245 /nfs/dbraw/zinc/15/32/45/427153245.db2.gz XLEZOIUBVMFBES-UHFFFAOYSA-N 1 0 313.785 2.774 20 5 DFBDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277301982 427156733 /nfs/dbraw/zinc/15/67/33/427156733.db2.gz CKSHNYJEBCETKX-NHYWBVRUSA-N 1 0 317.345 2.764 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000284224620 427159866 /nfs/dbraw/zinc/15/98/66/427159866.db2.gz DATFIGZNXNDWSY-GFCCVEGCSA-N 1 0 308.378 2.949 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000162486756 271084283 /nfs/dbraw/zinc/08/42/83/271084283.db2.gz LRGFZXUQECANOO-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000296389357 427164593 /nfs/dbraw/zinc/16/45/93/427164593.db2.gz UFIKPQXPLJQKMX-MAZHCROVSA-N 1 0 318.373 2.521 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237544792 271250003 /nfs/dbraw/zinc/25/00/03/271250003.db2.gz DWRFLDXDUDHRSA-LBPRGKRZSA-N 1 0 305.378 2.600 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCCC2)c1 ZINC000237777834 271252869 /nfs/dbraw/zinc/25/28/69/271252869.db2.gz UIAYVHHWVZSCQK-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000266102620 271284067 /nfs/dbraw/zinc/28/40/67/271284067.db2.gz GEGYJKYWDLMIPP-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481749 271296881 /nfs/dbraw/zinc/29/68/81/271296881.db2.gz FXLGPDDCBJIEJN-DZGCQCFKSA-N 1 0 307.394 2.657 20 5 DFBDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296537132 427216838 /nfs/dbraw/zinc/21/68/38/427216838.db2.gz DUOYWESHGMDWCC-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO CCC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296540227 427217090 /nfs/dbraw/zinc/21/70/90/427217090.db2.gz FAILSNIJMHXVNB-AGIUHOORSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000252113107 427173278 /nfs/dbraw/zinc/17/32/78/427173278.db2.gz IBCFYDRSKWGYHM-WDEREUQCSA-N 1 0 323.422 2.836 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c(F)c1 ZINC000284298692 427179195 /nfs/dbraw/zinc/17/91/95/427179195.db2.gz UVIPVUOOKWEOJY-LLVKDONJSA-N 1 0 311.332 2.543 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277388810 427188110 /nfs/dbraw/zinc/18/81/10/427188110.db2.gz DAMCNWHGFDWRRE-ZDUSSCGKSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)[NH+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000183054984 427189913 /nfs/dbraw/zinc/18/99/13/427189913.db2.gz JJJLYLICKCWBOU-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000296483335 427194569 /nfs/dbraw/zinc/19/45/69/427194569.db2.gz KPXIOFFEIIGUEV-LLVKDONJSA-N 1 0 309.366 2.508 20 5 DFBDRO Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000269441982 427197876 /nfs/dbraw/zinc/19/78/76/427197876.db2.gz SUCCPFOOAGGUTE-XJKSGUPXSA-N 1 0 316.405 2.751 20 5 DFBDRO C[C@H]1C[N@H+](CCCNc2ccc(F)cc2[N+](=O)[O-])CCCO1 ZINC000277454023 427208840 /nfs/dbraw/zinc/20/88/40/427208840.db2.gz KCOJRLSTMYVJAU-LBPRGKRZSA-N 1 0 311.357 2.647 20 5 DFBDRO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296542655 427215338 /nfs/dbraw/zinc/21/53/38/427215338.db2.gz FIRQQJOQRYCZMD-ZDUSSCGKSA-N 1 0 307.394 2.894 20 5 DFBDRO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000296794971 427235528 /nfs/dbraw/zinc/23/55/28/427235528.db2.gz TVKNUAREOILXBA-SWLSCSKDSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1nn(C)c(C)c1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285466079 427238719 /nfs/dbraw/zinc/23/87/19/427238719.db2.gz ZSKVXTOKYNJJRP-UHFFFAOYSA-N 1 0 302.378 2.620 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)n1 ZINC000183284676 427240589 /nfs/dbraw/zinc/24/05/89/427240589.db2.gz JBAZZNUDJBHZGY-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000269687515 427252885 /nfs/dbraw/zinc/25/28/85/427252885.db2.gz TZPWXGCLMRRPOJ-CQSZACIVSA-N 1 0 304.371 2.748 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000338320250 427258738 /nfs/dbraw/zinc/25/87/38/427258738.db2.gz NXZAZLSXZITUMC-UHFFFAOYSA-N 1 0 310.325 2.699 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183428596 427267175 /nfs/dbraw/zinc/26/71/75/427267175.db2.gz YPSWWTMCVAXMBK-LBPRGKRZSA-N 1 0 302.378 2.834 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191293715 427310682 /nfs/dbraw/zinc/31/06/82/427310682.db2.gz IANNSMWXFXIFMD-LSDHHAIUSA-N 1 0 317.389 2.868 20 5 DFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269942849 427312345 /nfs/dbraw/zinc/31/23/45/427312345.db2.gz PIZURQXYESJAPO-HNNXBMFYSA-N 1 0 320.437 2.589 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000270367510 427336347 /nfs/dbraw/zinc/33/63/47/427336347.db2.gz AWKKMZCDZGNTGY-GDBMZVCRSA-N 1 0 306.362 2.806 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000261902583 427342959 /nfs/dbraw/zinc/34/29/59/427342959.db2.gz PBAAVYNQFSLLPE-FPMFFAJLSA-N 1 0 312.373 2.707 20 5 DFBDRO CC1([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183824713 427348807 /nfs/dbraw/zinc/34/88/07/427348807.db2.gz FVRJXPHIZWMQER-AWEZNQCLSA-N 1 0 306.362 2.570 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000331118360 427348837 /nfs/dbraw/zinc/34/88/37/427348837.db2.gz LNPCYEULPQJQAS-QWHCGFSZSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000330670962 427288051 /nfs/dbraw/zinc/28/80/51/427288051.db2.gz DUYPCQQLILWUIX-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]2c2ccncc2)c1 ZINC000271004658 427369876 /nfs/dbraw/zinc/36/98/76/427369876.db2.gz KWGFWYKVXVBNER-IAGOWNOFSA-N 1 0 313.357 2.860 20 5 DFBDRO CCN(CCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271022395 427376726 /nfs/dbraw/zinc/37/67/26/427376726.db2.gz VBXQYRYAQBHKJY-UHFFFAOYSA-N 1 0 307.375 2.533 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000278012988 427385617 /nfs/dbraw/zinc/38/56/17/427385617.db2.gz SOEPGZHYPOIAQE-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285976363 427390096 /nfs/dbraw/zinc/39/00/96/427390096.db2.gz FBAOPEOHSOLRBN-GXTWGEPZSA-N 1 0 323.418 2.797 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297299630 427392903 /nfs/dbraw/zinc/39/29/03/427392903.db2.gz YJSOWDLUXJRWCP-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000285981349 427393847 /nfs/dbraw/zinc/39/38/47/427393847.db2.gz BYRSQVISRIHPEF-UHFFFAOYSA-N 1 0 321.406 2.884 20 5 DFBDRO COC(=O)[C@@H](C)N(Cc1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000191641794 427396006 /nfs/dbraw/zinc/39/60/06/427396006.db2.gz KVUZPBIWIVROGX-GFCCVEGCSA-N 1 0 306.362 2.819 20 5 DFBDRO COc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000271079678 427398516 /nfs/dbraw/zinc/39/85/16/427398516.db2.gz IKHGFCWXRAOQAO-NSHDSACASA-N 1 0 311.357 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C1CC1 ZINC000293732844 427416817 /nfs/dbraw/zinc/41/68/17/427416817.db2.gz UYDBJPMZLVHYPS-INIZCTEOSA-N 1 0 302.374 2.986 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285888138 427364743 /nfs/dbraw/zinc/36/47/43/427364743.db2.gz ZAJQXJUDFJLVII-WFASDCNBSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@@H](C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183971218 427366298 /nfs/dbraw/zinc/36/62/98/427366298.db2.gz GBEBAJMKURNBRV-FZMZJTMJSA-N 1 0 321.402 2.820 20 5 DFBDRO CCN(CCCO)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000271200394 427447864 /nfs/dbraw/zinc/44/78/64/427447864.db2.gz PNWQGHOJZJDNNF-UHFFFAOYSA-N 1 0 321.402 2.923 20 5 DFBDRO CC(C)[C@@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000340151009 271710564 /nfs/dbraw/zinc/71/05/64/271710564.db2.gz KNAGNCXZHHYVDE-OAHLLOKOSA-N 1 0 306.410 2.580 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000184405813 427452906 /nfs/dbraw/zinc/45/29/06/427452906.db2.gz NSGFEHUULPRKKU-OCCSQVGLSA-N 1 0 312.341 2.790 20 5 DFBDRO C[C@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293866940 427471062 /nfs/dbraw/zinc/47/10/62/427471062.db2.gz USSOHRBGXVCCSR-ZDUSSCGKSA-N 1 0 306.410 2.560 20 5 DFBDRO CC(=O)c1ccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000286297136 427484499 /nfs/dbraw/zinc/48/44/99/427484499.db2.gz HXWVVQIAFNVUOC-YIONKMFJSA-N 1 0 317.389 2.859 20 5 DFBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293918138 427488942 /nfs/dbraw/zinc/48/89/42/427488942.db2.gz XERIWVYCSBYMEA-SJKOYZFVSA-N 1 0 315.373 2.735 20 5 DFBDRO Cc1nnsc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000293740046 427420795 /nfs/dbraw/zinc/42/07/95/427420795.db2.gz QPDUSPHOYASTGZ-ZDUSSCGKSA-N 1 0 318.402 2.866 20 5 DFBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184244778 427424223 /nfs/dbraw/zinc/42/42/23/427424223.db2.gz SYHBWBFQLVPFPQ-LLVKDONJSA-N 1 0 324.352 2.743 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000286120124 427429446 /nfs/dbraw/zinc/42/94/46/427429446.db2.gz GORXXOWITURXAB-UHFFFAOYSA-N 1 0 309.366 2.526 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000338678455 427434876 /nfs/dbraw/zinc/43/48/76/427434876.db2.gz QVWPJARUMHCLDP-ZDUSSCGKSA-N 1 0 307.394 2.993 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])s1 ZINC000293788582 427435420 /nfs/dbraw/zinc/43/54/20/427435420.db2.gz AGTVHCYWJIKGBE-UHFFFAOYSA-N 1 0 311.407 2.652 20 5 DFBDRO CCC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278614891 427445423 /nfs/dbraw/zinc/44/54/23/427445423.db2.gz BTWTZRXHTMYVNH-UHOFOFEASA-N 1 0 308.378 2.566 20 5 DFBDRO Nc1ccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323728 427492326 /nfs/dbraw/zinc/49/23/26/427492326.db2.gz UXGRWRBPLWWYAF-WFASDCNBSA-N 1 0 316.405 2.630 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000286326483 427493759 /nfs/dbraw/zinc/49/37/59/427493759.db2.gz LFEFTBMBDQEEFK-QWHCGFSZSA-N 1 0 305.378 2.666 20 5 DFBDRO CN(CCc1cnccn1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271332372 427497708 /nfs/dbraw/zinc/49/77/08/427497708.db2.gz LXZPRTVWBKBGMU-UHFFFAOYSA-N 1 0 306.753 2.713 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286359742 427502439 /nfs/dbraw/zinc/50/24/39/427502439.db2.gz NBHUSFGHCWKNPU-CHWSQXEVSA-N 1 0 316.405 2.626 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000341253357 271802606 /nfs/dbraw/zinc/80/26/06/271802606.db2.gz CCDAZIXEVIKAOK-RISCZKNCSA-N 1 0 324.377 2.517 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000271349367 427505546 /nfs/dbraw/zinc/50/55/46/427505546.db2.gz SMOCFFPHFVHEQD-VIFPVBQESA-N 1 0 301.293 2.560 20 5 DFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286375516 427508120 /nfs/dbraw/zinc/50/81/20/427508120.db2.gz OBJPLDKHWYRGSS-OCCSQVGLSA-N 1 0 305.378 2.666 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271368590 427512110 /nfs/dbraw/zinc/51/21/10/427512110.db2.gz JKDWOGCXKLPBSE-RYUDHWBXSA-N 1 0 324.377 2.517 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271421095 427531302 /nfs/dbraw/zinc/53/13/02/427531302.db2.gz MBWKQDIFQHGFKH-KEDPEKRHSA-N 1 0 318.373 2.883 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000271442567 427539553 /nfs/dbraw/zinc/53/95/53/427539553.db2.gz DONKNIQZMHXVDF-STQMWFEESA-N 1 0 305.378 2.563 20 5 DFBDRO C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294073648 427539775 /nfs/dbraw/zinc/53/97/75/427539775.db2.gz HZIMZXJAFSZVLC-GFCCVEGCSA-N 1 0 319.405 2.770 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271444232 427540451 /nfs/dbraw/zinc/54/04/51/427540451.db2.gz DTMRMVLNIHVDLP-ZFWWWQNUSA-N 1 0 305.378 2.645 20 5 DFBDRO CCCCN(CC)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341582683 271853499 /nfs/dbraw/zinc/85/34/99/271853499.db2.gz GSDRJXJRVODHIO-ZDUSSCGKSA-N 1 0 307.394 2.894 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279060290 427545361 /nfs/dbraw/zinc/54/53/61/427545361.db2.gz KTCZHBBGVXOXHQ-VXGBXAGGSA-N 1 0 318.295 2.830 20 5 DFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncc([N+](=O)[O-])s1 ZINC000192488863 427550636 /nfs/dbraw/zinc/55/06/36/427550636.db2.gz XKXCZHJMQLJCTL-UHFFFAOYSA-N 1 0 324.381 2.759 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[N@H+](C)C1CCCCC1 ZINC000192527370 427557793 /nfs/dbraw/zinc/55/77/93/427557793.db2.gz HFIWWOVOVWOIHL-UHFFFAOYSA-N 1 0 323.441 2.820 20 5 DFBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124641 427567592 /nfs/dbraw/zinc/56/75/92/427567592.db2.gz QJUVDTOGTCJCSR-GYPBFWFCSA-N 1 0 310.419 2.674 20 5 DFBDRO CC(C)NC(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279148104 427576147 /nfs/dbraw/zinc/57/61/47/427576147.db2.gz SNCMXQLQMHGDPZ-HNNXBMFYSA-N 1 0 319.405 2.822 20 5 DFBDRO Cc1cnc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000185040883 427586263 /nfs/dbraw/zinc/58/62/63/427586263.db2.gz DRAXQDFTDSSFSE-GWCFXTLKSA-N 1 0 307.375 2.744 20 5 DFBDRO CC(=O)c1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000287420718 427603930 /nfs/dbraw/zinc/60/39/30/427603930.db2.gz UCLOCQMZVAMTHW-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342156914 271956089 /nfs/dbraw/zinc/95/60/89/271956089.db2.gz PVKIVDGHCCVTCH-WFASDCNBSA-N 1 0 324.402 2.822 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000192870055 427628776 /nfs/dbraw/zinc/62/87/76/427628776.db2.gz PFWUHWCSBNBZLR-SNVBAGLBSA-N 1 0 305.359 2.946 20 5 DFBDRO COc1ccc(CN2C[C@@H](C)O[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310532 427636046 /nfs/dbraw/zinc/63/60/46/427636046.db2.gz NAPVHGVUOURSMD-BZNIZROVSA-N 1 0 306.362 2.603 20 5 DFBDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192943305 427639537 /nfs/dbraw/zinc/63/95/37/427639537.db2.gz HAYQUSVDDBGDPY-YLQAJVPDSA-N 1 0 320.389 2.756 20 5 DFBDRO CC(C)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000192998280 427649335 /nfs/dbraw/zinc/64/93/35/427649335.db2.gz GHNMCYUGXFLCGG-HZPDHXFCSA-N 1 0 317.389 2.571 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287651175 427663076 /nfs/dbraw/zinc/66/30/76/427663076.db2.gz LFMIBRDILHMKKA-ZYHUDNBSSA-N 1 0 304.268 2.794 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@H]1C ZINC000342483229 272017422 /nfs/dbraw/zinc/01/74/22/272017422.db2.gz YSAAKZWBDWJURE-VXGBXAGGSA-N 1 0 305.378 2.716 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000342610507 272030606 /nfs/dbraw/zinc/03/06/06/272030606.db2.gz XEOFLEILFHPLSD-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082009 427625250 /nfs/dbraw/zinc/62/52/50/427625250.db2.gz HJSHPLGJPNDLTG-IUODEOHRSA-N 1 0 305.378 2.646 20 5 DFBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342692485 272042176 /nfs/dbraw/zinc/04/21/76/272042176.db2.gz DIQICSNJGIUDGV-HUUCEWRRSA-N 1 0 322.405 2.845 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000343252251 272105451 /nfs/dbraw/zinc/10/54/51/272105451.db2.gz JAEREZOLNDRONW-UHFFFAOYSA-N 1 0 312.801 2.955 20 5 DFBDRO Cc1ccc(CN(CCO)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339081963 427667628 /nfs/dbraw/zinc/66/76/28/427667628.db2.gz PRCOJBDUKBINHX-UHFFFAOYSA-N 1 0 316.357 2.603 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H]1c1cccnc1 ZINC000343390301 272134638 /nfs/dbraw/zinc/13/46/38/272134638.db2.gz MGEMMFPSZKCAJO-IRXDYDNUSA-N 1 0 313.357 2.918 20 5 DFBDRO COc1cc(C[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000343449269 272150022 /nfs/dbraw/zinc/15/00/22/272150022.db2.gz VYOPOBYERYHZCX-ZDUSSCGKSA-N 1 0 324.377 2.613 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000343511155 272163094 /nfs/dbraw/zinc/16/30/94/272163094.db2.gz SSWWYFAIQMPYPT-QWHCGFSZSA-N 1 0 305.378 2.565 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000343600112 272180130 /nfs/dbraw/zinc/18/01/30/272180130.db2.gz JLYYNGHAIAXINQ-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(CF)CC1 ZINC000295058369 427676351 /nfs/dbraw/zinc/67/63/51/427676351.db2.gz BYGJECOLKHYBKE-UHFFFAOYSA-N 1 0 323.368 2.913 20 5 DFBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914221 272236372 /nfs/dbraw/zinc/23/63/72/272236372.db2.gz VBTABUXIFUISII-GOEBONIOSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616475 427681204 /nfs/dbraw/zinc/68/12/04/427681204.db2.gz JPHJTURZQUMBFP-BXUZGUMPSA-N 1 0 321.377 2.662 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344065479 272254850 /nfs/dbraw/zinc/25/48/50/272254850.db2.gz OKMJZRBIYPPDAX-GJZGRUSLSA-N 1 0 320.389 2.623 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344192769 272284487 /nfs/dbraw/zinc/28/44/87/272284487.db2.gz XWJYAUUVXZEGGF-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344218987 272289492 /nfs/dbraw/zinc/28/94/92/272289492.db2.gz URMFSQJSPMXLKJ-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CC[C@@]1(C)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000344223457 272291057 /nfs/dbraw/zinc/29/10/57/272291057.db2.gz SOJFICSGEFKNBW-KRWDZBQOSA-N 1 0 317.389 2.606 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000344608375 272346807 /nfs/dbraw/zinc/34/68/07/272346807.db2.gz GCZHKAPBKWBJFB-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344629847 272349630 /nfs/dbraw/zinc/34/96/30/272349630.db2.gz BJRCYEHZVOSZDC-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000344693673 272357257 /nfs/dbraw/zinc/35/72/57/272357257.db2.gz BTIRFTRPXQMYQV-GJZGRUSLSA-N 1 0 308.378 2.897 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc2ccnn21 ZINC000344832912 272375965 /nfs/dbraw/zinc/37/59/65/272375965.db2.gz OBVSCABUMNTTRF-LCYFTJDESA-N 1 0 323.356 2.831 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000344832214 272375983 /nfs/dbraw/zinc/37/59/83/272375983.db2.gz NKWFUDWMRRHMJI-AGEOTTOMSA-N 1 0 318.295 2.901 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1cnn(C)c1 ZINC000344858562 272377652 /nfs/dbraw/zinc/37/76/52/272377652.db2.gz HDWBLDPIZGENCE-NTEUORMPSA-N 1 0 314.389 2.954 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000344861235 272378772 /nfs/dbraw/zinc/37/87/72/272378772.db2.gz JVWDCLMITXCEFP-QLBUUCPGSA-N 1 0 317.389 2.597 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1cc(C)cn1 ZINC000344902757 272383770 /nfs/dbraw/zinc/38/37/70/272383770.db2.gz NNECEJRPYRXWJN-JYRVWZFOSA-N 1 0 300.362 2.793 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344923928 272384931 /nfs/dbraw/zinc/38/49/31/272384931.db2.gz XNRBMYYQWGBOKO-WCQYABFASA-N 1 0 306.366 2.507 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000336859818 427764013 /nfs/dbraw/zinc/76/40/13/427764013.db2.gz LENPLXHUWFBZFA-CYBMUJFWSA-N 1 0 302.378 2.953 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000339387518 427765573 /nfs/dbraw/zinc/76/55/73/427765573.db2.gz KNFWWKRPWJUGDO-NSHDSACASA-N 1 0 319.365 2.678 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000339397165 427767413 /nfs/dbraw/zinc/76/74/13/427767413.db2.gz QEHQOZVNMBQXKQ-CYBMUJFWSA-N 1 0 304.350 2.809 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000301085172 427774585 /nfs/dbraw/zinc/77/45/85/427774585.db2.gz HSXPYIFIAILMFZ-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO CC[N@H+](C)CCNc1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301107744 427776293 /nfs/dbraw/zinc/77/62/93/427776293.db2.gz LZUABPXEYQWXIB-UHFFFAOYSA-N 1 0 315.377 2.724 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339459786 427778169 /nfs/dbraw/zinc/77/81/69/427778169.db2.gz TWDDCEIKAVVJIS-SNVBAGLBSA-N 1 0 303.318 2.555 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000301224172 427782154 /nfs/dbraw/zinc/78/21/54/427782154.db2.gz ARBGUSGVWDQMIU-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC(C)CC1 ZINC000301355780 427791531 /nfs/dbraw/zinc/79/15/31/427791531.db2.gz OKQDITXMNPYAHX-UHFFFAOYSA-N 1 0 307.394 2.885 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000301333857 427789760 /nfs/dbraw/zinc/78/97/60/427789760.db2.gz FNQAIIZRYUNBNY-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339623535 427803401 /nfs/dbraw/zinc/80/34/01/427803401.db2.gz UQGJACSSZOVUNC-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1cnc(NCC[N@@H+](C)Cc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000301573986 427806508 /nfs/dbraw/zinc/80/65/08/427806508.db2.gz XYGAAVGECJQUDI-UHFFFAOYSA-N 1 0 318.352 2.981 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000301580288 427807209 /nfs/dbraw/zinc/80/72/09/427807209.db2.gz SQCPNJFSSAHRMM-KKUMJFAQSA-N 1 0 301.390 2.824 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301576213 427807327 /nfs/dbraw/zinc/80/73/27/427807327.db2.gz MFTRYSUUBODCBZ-DGCLKSJQSA-N 1 0 321.377 2.666 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000301598270 427808165 /nfs/dbraw/zinc/80/81/65/427808165.db2.gz HGFOEHINYWNUHE-QMTHXVAHSA-N 1 0 311.357 2.883 20 5 DFBDRO COc1ccc([C@@H](C)N(C)Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000355658749 427838235 /nfs/dbraw/zinc/83/82/35/427838235.db2.gz MKYWSVAUSPTIIP-LLVKDONJSA-N 1 0 304.350 2.530 20 5 DFBDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405866 427840858 /nfs/dbraw/zinc/84/08/58/427840858.db2.gz WDXDBYMCJFZKNK-KGLIPLIRSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1[nH+]ccc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1Cl ZINC000355675716 427845023 /nfs/dbraw/zinc/84/50/23/427845023.db2.gz AQXXZHKKDGVNDX-UHFFFAOYSA-N 1 0 321.768 2.990 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730865 427866046 /nfs/dbraw/zinc/86/60/46/427866046.db2.gz HKFLOLANDTVBLR-QPSCCSFWSA-N 1 0 322.405 2.701 20 5 DFBDRO C[C@H](Nc1c2c(ccc1[N+](=O)[O-])NCC2)C(C)(C)C[NH+](C)C ZINC000302890155 427889003 /nfs/dbraw/zinc/88/90/03/427889003.db2.gz PHJZAEFHJJQPLZ-NSHDSACASA-N 1 0 306.410 2.951 20 5 DFBDRO C[C@@H]1C[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345769769 427896012 /nfs/dbraw/zinc/89/60/12/427896012.db2.gz CXXGOKBMHXQDKG-OLZOCXBDSA-N 1 0 319.405 2.676 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337448746 427910791 /nfs/dbraw/zinc/91/07/91/427910791.db2.gz DKLSGOYLOILUOT-CABZTGNLSA-N 1 0 311.769 2.965 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]CCC=C(C)C)cc1[N+](=O)[O-] ZINC000359702149 427978465 /nfs/dbraw/zinc/97/84/65/427978465.db2.gz XLECEHQOVQCYNF-UHFFFAOYSA-N 1 0 322.361 2.593 20 5 DFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ncccc2[N+](=O)[O-])c1 ZINC000347127055 272731327 /nfs/dbraw/zinc/73/13/27/272731327.db2.gz GOQGTULTAUQAEG-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000413210242 427990313 /nfs/dbraw/zinc/99/03/13/427990313.db2.gz OUTPRPUYBYWSQV-GJZGRUSLSA-N 1 0 316.336 2.986 20 5 DFBDRO Cn1ccc(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)n1 ZINC000345865134 427933934 /nfs/dbraw/zinc/93/39/34/427933934.db2.gz YWRGSWNPMODPOG-UHFFFAOYSA-N 1 0 312.329 2.878 20 5 DFBDRO Cc1cc(-c2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143912 428021161 /nfs/dbraw/zinc/02/11/61/428021161.db2.gz HINHKGPNLAUVTK-MFKMUULPSA-N 1 0 302.334 2.618 20 5 DFBDRO Cc1cc(-c2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143907 428021729 /nfs/dbraw/zinc/02/17/29/428021729.db2.gz HINHKGPNLAUVTK-GWCFXTLKSA-N 1 0 302.334 2.618 20 5 DFBDRO Cc1c(CNCc2c[nH+]ccc2N(C)C)cccc1[N+](=O)[O-] ZINC000359806748 428025491 /nfs/dbraw/zinc/02/54/91/428025491.db2.gz WTHSNYYIHMUSOI-UHFFFAOYSA-N 1 0 300.362 2.654 20 5 DFBDRO Cc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000369666802 428031697 /nfs/dbraw/zinc/03/16/97/428031697.db2.gz XOMKAGKCQNKCOS-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CSC1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000356126654 428032456 /nfs/dbraw/zinc/03/24/56/428032456.db2.gz MUZBBYCSFWCTPS-LBPRGKRZSA-N 1 0 322.434 2.762 20 5 DFBDRO CCC[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347425038 272786702 /nfs/dbraw/zinc/78/67/02/272786702.db2.gz YVJVTBTTXAQRFQ-UHFFFAOYSA-N 1 0 315.377 2.824 20 5 DFBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncc([N+](=O)[O-])cc1F ZINC000413454740 428052731 /nfs/dbraw/zinc/05/27/31/428052731.db2.gz NBLSPUSNTKUEPM-UHFFFAOYSA-N 1 0 324.381 2.759 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000340367774 428002787 /nfs/dbraw/zinc/00/27/87/428002787.db2.gz APHRXMFBIGWJGC-BBRMVZONSA-N 1 0 306.362 2.806 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H](CO)C[NH+]1CCCCC1 ZINC000346099782 428019747 /nfs/dbraw/zinc/01/97/47/428019747.db2.gz IHSWPMWPLIRWJU-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000359909983 428073284 /nfs/dbraw/zinc/07/32/84/428073284.db2.gz ZMWUUBWSXIAIGF-CZUORRHYSA-N 1 0 319.405 2.520 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](C2CCC2)CC1 ZINC000341464414 428074837 /nfs/dbraw/zinc/07/48/37/428074837.db2.gz IXHRPWAMVVZTNC-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CCO)c1ccco1 ZINC000346242579 428089409 /nfs/dbraw/zinc/08/94/09/428089409.db2.gz SDUOHOWBRPFCDS-JHAQOBCDSA-N 1 0 302.330 2.914 20 5 DFBDRO Cc1ccccc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369971574 428098764 /nfs/dbraw/zinc/09/87/64/428098764.db2.gz BLHPAAZTJWHHJP-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1c(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017590 428111414 /nfs/dbraw/zinc/11/14/14/428111414.db2.gz KPNPSPVQLSTTLO-CHWSQXEVSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044568 428118185 /nfs/dbraw/zinc/11/81/85/428118185.db2.gz FBVKUARQRZSLAA-DGCLKSJQSA-N 1 0 318.352 2.845 20 5 DFBDRO C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046818 428121267 /nfs/dbraw/zinc/12/12/67/428121267.db2.gz TZUOCQKBEGAZDK-MNOVXSKESA-N 1 0 306.391 2.768 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000370057671 428124010 /nfs/dbraw/zinc/12/40/10/428124010.db2.gz ZHDYZLJZXOLTQC-OAHLLOKOSA-N 1 0 314.389 2.926 20 5 DFBDRO C[C@@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000352356639 428132503 /nfs/dbraw/zinc/13/25/03/428132503.db2.gz MWSUNEVTVGBGNJ-YPMHNXCESA-N 1 0 312.373 3.180 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362520 428135364 /nfs/dbraw/zinc/13/53/64/428135364.db2.gz VXRALEVHUWXHNG-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535954 428139139 /nfs/dbraw/zinc/13/91/39/428139139.db2.gz XRDLEFDXMFRNKM-GPCFVJJQSA-N 1 0 301.390 2.684 20 5 DFBDRO COc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539658 428141386 /nfs/dbraw/zinc/14/13/86/428141386.db2.gz BNFBKRWEBUFGFW-OCCSQVGLSA-N 1 0 307.394 2.518 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CC2)c2c(c1)COCO2 ZINC000377533766 428150461 /nfs/dbraw/zinc/15/04/61/428150461.db2.gz MEKXTEQYPUTGEE-OAHLLOKOSA-N 1 0 304.346 2.836 20 5 DFBDRO COc1cc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000352556405 428150703 /nfs/dbraw/zinc/15/07/03/428150703.db2.gz ZLMZGCSKWHCELY-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081573 428151895 /nfs/dbraw/zinc/15/18/95/428151895.db2.gz GMFGGMIRFWLCET-JSGCOSHPSA-N 1 0 307.369 2.963 20 5 DFBDRO Cc1cc(C)n(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000352549315 428148185 /nfs/dbraw/zinc/14/81/85/428148185.db2.gz APINPMKSDKCXDY-UHFFFAOYSA-N 1 0 302.378 2.583 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000360228454 428213172 /nfs/dbraw/zinc/21/31/72/428213172.db2.gz BTRFTMHWCMXKCZ-LRDDRELGSA-N 1 0 323.368 2.647 20 5 DFBDRO CC1CC[NH+](CCN2CCOc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000352710136 428216456 /nfs/dbraw/zinc/21/64/56/428216456.db2.gz QHJUAILXBKIYJW-UHFFFAOYSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2COc3ccccc3O2)cc1 ZINC000360274494 428232005 /nfs/dbraw/zinc/23/20/05/428232005.db2.gz LHFJXZVYFSYNGS-HNNXBMFYSA-N 1 0 314.341 2.915 20 5 DFBDRO Cc1cnn(CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000341869755 428234553 /nfs/dbraw/zinc/23/45/53/428234553.db2.gz AKBZHKUXXDADNO-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414069227 428196922 /nfs/dbraw/zinc/19/69/22/428196922.db2.gz JBPVAKBKYBEJNT-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346501440 428198985 /nfs/dbraw/zinc/19/89/85/428198985.db2.gz ZLFQJWVYPGQLRJ-RYUDHWBXSA-N 1 0 320.393 2.850 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC000414342736 428263819 /nfs/dbraw/zinc/26/38/19/428263819.db2.gz MSZGMGSPOGSBBX-GXTWGEPZSA-N 1 0 307.394 2.738 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000346671892 428266441 /nfs/dbraw/zinc/26/64/41/428266441.db2.gz WCGJCEWEBRTIAO-MBNYWOFBSA-N 1 0 306.362 2.848 20 5 DFBDRO CCN1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353948 428268529 /nfs/dbraw/zinc/26/85/29/428268529.db2.gz ZRFZQDOAXXOVKL-HZPDHXFCSA-N 1 0 303.406 2.600 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000370690012 428275926 /nfs/dbraw/zinc/27/59/26/428275926.db2.gz NOAKEFIOHUZHIH-UHFFFAOYSA-N 1 0 304.394 2.678 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881001 428291871 /nfs/dbraw/zinc/29/18/71/428291871.db2.gz YWRRPASJLZZLJG-GJZGRUSLSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352879326 428293041 /nfs/dbraw/zinc/29/30/41/428293041.db2.gz WCZYVLFUDXRXHC-YPMHNXCESA-N 1 0 306.366 2.507 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352778748 428242258 /nfs/dbraw/zinc/24/22/58/428242258.db2.gz MDHZUKOTSOMIPP-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1c(NC(=O)CC[NH2+][C@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000352814821 428261148 /nfs/dbraw/zinc/26/11/48/428261148.db2.gz JYLMXVPLDKUVLO-GWCFXTLKSA-N 1 0 323.418 2.573 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346666733 428262668 /nfs/dbraw/zinc/26/26/68/428262668.db2.gz YWJHAUYHNVLOLT-LMRQPLJMSA-N 1 0 317.389 2.550 20 5 DFBDRO Cc1c(Cc2nc([C@@H]([NH3+])CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000414617274 428355251 /nfs/dbraw/zinc/35/52/51/428355251.db2.gz LAYCPTYNXMULII-LBPRGKRZSA-N 1 0 304.350 2.923 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](c3nnc[nH]3)C2)ccc1Cl ZINC000378172535 428326637 /nfs/dbraw/zinc/32/66/37/428326637.db2.gz GJNGTPMWZIVADM-LLVKDONJSA-N 1 0 321.768 2.746 20 5 DFBDRO Cc1sc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000378234979 428342384 /nfs/dbraw/zinc/34/23/84/428342384.db2.gz VUQOLJXPBZDOPE-GFCCVEGCSA-N 1 0 323.418 2.569 20 5 DFBDRO CO[C@@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000346860375 428351232 /nfs/dbraw/zinc/35/12/32/428351232.db2.gz UOFYNTAOWKUVEQ-LSDHHAIUSA-N 1 0 321.421 2.656 20 5 DFBDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000353123260 428392541 /nfs/dbraw/zinc/39/25/41/428392541.db2.gz WRROAKJQDQYLHA-JOCHJYFZSA-N 1 0 318.398 2.763 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000342307603 428396883 /nfs/dbraw/zinc/39/68/83/428396883.db2.gz SRLWKHWXEHPOSN-LBPRGKRZSA-N 1 0 305.378 2.694 20 5 DFBDRO CCOC1CC(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)C1 ZINC000285893133 273696165 /nfs/dbraw/zinc/69/61/65/273696165.db2.gz GIPXXGGVAJSEFR-UHFFFAOYSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC2)CC1 ZINC000378327667 428365545 /nfs/dbraw/zinc/36/55/45/428365545.db2.gz SXKBDHOOVNERQQ-GFCCVEGCSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1ccc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000360628014 428374554 /nfs/dbraw/zinc/37/45/54/428374554.db2.gz DNQVAYHZXHDMNR-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@H]2CC[NH2+]C2)s1 ZINC000414889869 428448160 /nfs/dbraw/zinc/44/81/60/428448160.db2.gz ULNKMHBDPHTPJC-NSHDSACASA-N 1 0 303.387 2.775 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](CC)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000353267511 428461729 /nfs/dbraw/zinc/46/17/29/428461729.db2.gz PUPPNTSQLMGUTI-DZGCQCFKSA-N 1 0 303.366 2.706 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940094 428463835 /nfs/dbraw/zinc/46/38/35/428463835.db2.gz XEXBLYIMAUACFF-MLGOLLRUSA-N 1 0 315.373 2.942 20 5 DFBDRO C[C@H]1C[NH2+]CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347037095 428418227 /nfs/dbraw/zinc/41/82/27/428418227.db2.gz FRDPITKDTSZXIA-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342941492 428491921 /nfs/dbraw/zinc/49/19/21/428491921.db2.gz XBJZGRVHXSWCTD-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(F)c1 ZINC000415034653 428494832 /nfs/dbraw/zinc/49/48/32/428494832.db2.gz CVOOIIZJWSJXAG-DOTOQJQBSA-N 1 0 315.348 2.579 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000357360320 428500713 /nfs/dbraw/zinc/50/07/13/428500713.db2.gz CYXMVJNWOJNAGL-UHFFFAOYSA-N 1 0 323.368 2.715 20 5 DFBDRO CC[N@@H+]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000372762038 428501051 /nfs/dbraw/zinc/50/10/51/428501051.db2.gz DBLKDEOHSYTFQR-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000361070284 428531495 /nfs/dbraw/zinc/53/14/95/428531495.db2.gz VAMWHZYQTPJHIN-WBVHZDCISA-N 1 0 315.417 2.742 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@H]1C ZINC000343070597 428515387 /nfs/dbraw/zinc/51/53/87/428515387.db2.gz FIQXUQIRGXNLSL-GHMZBOCLSA-N 1 0 311.407 2.649 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000373176574 428521000 /nfs/dbraw/zinc/52/10/00/428521000.db2.gz LVQFIGJVTAIOBR-HNNXBMFYSA-N 1 0 300.362 2.708 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347283184 428525755 /nfs/dbraw/zinc/52/57/55/428525755.db2.gz JRURLRDNUINZTF-UHFFFAOYSA-N 1 0 312.345 2.587 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361595932 428583451 /nfs/dbraw/zinc/58/34/51/428583451.db2.gz PURDNZWADHXHRD-WDEREUQCSA-N 1 0 320.315 2.844 20 5 DFBDRO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@]2(CCOC2)O1 ZINC000373468217 428586486 /nfs/dbraw/zinc/58/64/86/428586486.db2.gz USPRXPVWCKFPRI-DOTOQJQBSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415479228 428586869 /nfs/dbraw/zinc/58/68/69/428586869.db2.gz FHPRAPXXYUDQED-HNNXBMFYSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415486413 428588039 /nfs/dbraw/zinc/58/80/39/428588039.db2.gz RULNRDANWQEWTK-CQSZACIVSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415491399 428588762 /nfs/dbraw/zinc/58/87/62/428588762.db2.gz ZOBNNZXVOUBJSY-QWHCGFSZSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347312108 428539642 /nfs/dbraw/zinc/53/96/42/428539642.db2.gz YNPZYOCYZDXFSC-IINYFYTJSA-N 1 0 324.356 2.584 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000347350109 428559177 /nfs/dbraw/zinc/55/91/77/428559177.db2.gz CJTVGMTVCXVMHE-SHRNQRGKSA-N 1 0 301.390 2.778 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(O)CCC1 ZINC000353486714 428559506 /nfs/dbraw/zinc/55/95/06/428559506.db2.gz YPHAAOSKDWBYRQ-UHFFFAOYSA-N 1 0 317.345 2.597 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC(c2ccccc2)C1 ZINC000361330892 428560088 /nfs/dbraw/zinc/56/00/88/428560088.db2.gz JSNXSNPVSUUVQX-UHFFFAOYSA-N 1 0 300.362 2.669 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ncccc2C)cc1[N+](=O)[O-] ZINC000404812113 428573740 /nfs/dbraw/zinc/57/37/40/428573740.db2.gz HZBSUOGKGZMKAJ-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415424488 428579676 /nfs/dbraw/zinc/57/96/76/428579676.db2.gz BEPIIGOYLUWPSY-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO O=C(NCCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCC[NH2+]1 ZINC000373529346 428597135 /nfs/dbraw/zinc/59/71/35/428597135.db2.gz MSIJZBUPXPMARD-MRXNPFEDSA-N 1 0 319.405 2.566 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415581897 428599015 /nfs/dbraw/zinc/59/90/15/428599015.db2.gz NZVAKFKJBQUCBK-GFCCVEGCSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415586853 428599105 /nfs/dbraw/zinc/59/91/05/428599105.db2.gz WAQNRMICOXROMN-ZWNOBZJWSA-N 1 0 320.393 2.803 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000358405622 428599483 /nfs/dbraw/zinc/59/94/83/428599483.db2.gz CBGYGOKCEONMEC-ZDUSSCGKSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408147644 428609774 /nfs/dbraw/zinc/60/97/74/428609774.db2.gz HBXPFWBAWVUOPP-STQMWFEESA-N 1 0 320.393 2.768 20 5 DFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000356115591 274182342 /nfs/dbraw/zinc/18/23/42/274182342.db2.gz KMRRZEFTBUGNGD-HZPDHXFCSA-N 1 0 321.446 2.919 20 5 DFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000298355664 274195418 /nfs/dbraw/zinc/19/54/18/274195418.db2.gz SZDFKSWVQXHJAC-XQQFMLRXSA-N 1 0 317.389 2.745 20 5 DFBDRO COc1cc(N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000374153507 428666018 /nfs/dbraw/zinc/66/60/18/428666018.db2.gz JSKHNWBBJFRWGS-KGLIPLIRSA-N 1 0 305.378 2.666 20 5 DFBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000358758957 428662189 /nfs/dbraw/zinc/66/21/89/428662189.db2.gz SJBXMYKZMKEEEM-HNNXBMFYSA-N 1 0 300.362 2.538 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000416308743 428715578 /nfs/dbraw/zinc/71/55/78/428715578.db2.gz RTOGODCVPYDLIL-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362360860 428719788 /nfs/dbraw/zinc/71/97/88/428719788.db2.gz SGSIHMWRKRLMKG-UHFFFAOYSA-N 1 0 318.352 3.160 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000348361053 428720762 /nfs/dbraw/zinc/72/07/62/428720762.db2.gz FPKUSPSGYARRAB-AWEZNQCLSA-N 1 0 318.377 3.386 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000286426254 274438893 /nfs/dbraw/zinc/43/88/93/274438893.db2.gz NIGFOEGVEAECSJ-QMTHXVAHSA-N 1 0 311.332 2.936 20 5 DFBDRO CC[C@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000362389615 428729620 /nfs/dbraw/zinc/72/96/20/428729620.db2.gz BMYDTTPYSDNHDF-DOTOQJQBSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000348522989 428768454 /nfs/dbraw/zinc/76/84/54/428768454.db2.gz AXNRUQUXFUBVKM-STQMWFEESA-N 1 0 300.305 2.887 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000353901390 428770904 /nfs/dbraw/zinc/77/09/04/428770904.db2.gz HJUSQMWSEAYDTJ-GFCCVEGCSA-N 1 0 320.393 2.621 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC23CCC3)c([N+](=O)[O-])c1 ZINC000411311216 428775086 /nfs/dbraw/zinc/77/50/86/428775086.db2.gz QNELWSAHGVDOKJ-UHFFFAOYSA-N 1 0 319.361 2.560 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348534746 428775507 /nfs/dbraw/zinc/77/55/07/428775507.db2.gz PVTULQGTIIBXRI-NEPJUHHUSA-N 1 0 316.304 2.853 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348534107 428775645 /nfs/dbraw/zinc/77/56/45/428775645.db2.gz OXIDTESGSSTQNM-ZYHUDNBSSA-N 1 0 316.304 2.853 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000353930192 428781451 /nfs/dbraw/zinc/78/14/51/428781451.db2.gz KZSGSJAZQYTIKU-CYBMUJFWSA-N 1 0 320.393 2.763 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000359033266 428782840 /nfs/dbraw/zinc/78/28/40/428782840.db2.gz HQAAJPFFXZVGOG-UKRRQHHQSA-N 1 0 319.405 2.812 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2nccn21 ZINC000348632201 428799223 /nfs/dbraw/zinc/79/92/23/428799223.db2.gz HKPOOGHLNWJGRM-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000354019806 428824154 /nfs/dbraw/zinc/82/41/54/428824154.db2.gz KPMLZPQQMMJVNL-NSHDSACASA-N 1 0 317.345 2.507 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251865118 274593327 /nfs/dbraw/zinc/59/33/27/274593327.db2.gz SVTYZLZKFQOLTG-WCBMZHEXSA-N 1 0 303.284 2.787 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000362974907 428828640 /nfs/dbraw/zinc/82/86/40/428828640.db2.gz BZYSCHPCVUNCBE-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@H]2CCC[C@@H]21 ZINC000363323463 428907590 /nfs/dbraw/zinc/90/75/90/428907590.db2.gz YSIAKWDTRJDLAI-HOCLYGCPSA-N 1 0 306.362 2.747 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363098057 428857596 /nfs/dbraw/zinc/85/75/96/428857596.db2.gz ZISSDKYSPZQVOT-NEPJUHHUSA-N 1 0 323.780 2.605 20 5 DFBDRO COC(=O)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000345354629 428858889 /nfs/dbraw/zinc/85/88/89/428858889.db2.gz XHNCLLNZSDLHJT-GFCCVEGCSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305202 428901175 /nfs/dbraw/zinc/90/11/75/428901175.db2.gz AFOYDKPPDFHGGO-RYUDHWBXSA-N 1 0 306.391 2.731 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000297399909 274686216 /nfs/dbraw/zinc/68/62/16/274686216.db2.gz PCMLGUONCPHQLD-FGEZKYSXSA-N 1 0 319.405 2.718 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203201 428914945 /nfs/dbraw/zinc/91/49/45/428914945.db2.gz ALQLZXFZAWHYLG-GDBMZVCRSA-N 1 0 321.421 2.778 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423564739 428971207 /nfs/dbraw/zinc/97/12/07/428971207.db2.gz SBXXGZVRHBIQBT-QGZVFWFLSA-N 1 0 317.389 2.544 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000363451926 428920011 /nfs/dbraw/zinc/92/00/11/428920011.db2.gz YSVPJTFDMBXDKB-LSDHHAIUSA-N 1 0 320.389 2.722 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000363451924 428920864 /nfs/dbraw/zinc/92/08/64/428920864.db2.gz YSVPJTFDMBXDKB-GJZGRUSLSA-N 1 0 320.389 2.722 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000345524526 428920857 /nfs/dbraw/zinc/92/08/57/428920857.db2.gz GBHIOTOQEUUMMR-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1nc(C)n([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375784115 428971577 /nfs/dbraw/zinc/97/15/77/428971577.db2.gz BATAJHADICAJSM-MRXNPFEDSA-N 1 0 315.377 2.640 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345593586 428950500 /nfs/dbraw/zinc/95/05/00/428950500.db2.gz XSFKTENTTZPZNI-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO C[C@@H](CCC[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420260481 428952393 /nfs/dbraw/zinc/95/23/93/428952393.db2.gz NMPLNVRUWLXUJC-JTQLQIEISA-N 1 0 306.391 3.258 20 5 DFBDRO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420257260 428953402 /nfs/dbraw/zinc/95/34/02/428953402.db2.gz IJVLPWMZKYHRKY-LLVKDONJSA-N 1 0 318.352 3.335 20 5 DFBDRO C[C@H](CCC[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420260482 428953827 /nfs/dbraw/zinc/95/38/27/428953827.db2.gz NMPLNVRUWLXUJC-SNVBAGLBSA-N 1 0 306.391 3.258 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420278850 428954360 /nfs/dbraw/zinc/95/43/60/428954360.db2.gz SAPILIDZCRNBSH-CMPLNLGQSA-N 1 0 318.402 3.258 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000375768470 428966231 /nfs/dbraw/zinc/96/62/31/428966231.db2.gz NRHMQXFIVXRWNX-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO CCc1nn(C)c(NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000354323961 428967670 /nfs/dbraw/zinc/96/76/70/428967670.db2.gz ISGOEAXKFGGKEZ-VXGBXAGGSA-N 1 0 309.414 2.566 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915653 429018959 /nfs/dbraw/zinc/01/89/59/429018959.db2.gz VUGCIJIDINFDFF-GIPNMCIBSA-N 1 0 318.295 2.901 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000421804976 429034770 /nfs/dbraw/zinc/03/47/70/429034770.db2.gz VIBRYOHPJJSDLS-CYBMUJFWSA-N 1 0 317.389 2.592 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000421748537 429026665 /nfs/dbraw/zinc/02/66/65/429026665.db2.gz GCGXBRAISFMIKC-LBPRGKRZSA-N 1 0 319.405 2.673 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423602058 428980192 /nfs/dbraw/zinc/98/01/92/428980192.db2.gz HFOPFYIRFRDLPE-SMDDNHRTSA-N 1 0 305.378 2.589 20 5 DFBDRO CCn1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1=O ZINC000433066757 428991096 /nfs/dbraw/zinc/99/10/96/428991096.db2.gz KSLGLIRMDGLTJV-ZDUSSCGKSA-N 1 0 315.373 2.936 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421398185 428994047 /nfs/dbraw/zinc/99/40/47/428994047.db2.gz GELNHUSITKRFGW-ZDUSSCGKSA-N 1 0 308.378 2.577 20 5 DFBDRO COc1cc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839718 428995052 /nfs/dbraw/zinc/99/50/52/428995052.db2.gz DITIERVJGIPGIG-HZPDHXFCSA-N 1 0 320.389 2.993 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000452001922 429034539 /nfs/dbraw/zinc/03/45/39/429034539.db2.gz GGAAKMFUXYDCGB-TZMCWYRMSA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000424137325 429096186 /nfs/dbraw/zinc/09/61/86/429096186.db2.gz LTHAPHBXJRUEDJ-TZMCWYRMSA-N 1 0 319.405 2.953 20 5 DFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452018986 429039195 /nfs/dbraw/zinc/03/91/95/429039195.db2.gz RQONNQRTPOZFKV-TZMCWYRMSA-N 1 0 304.350 2.518 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000421854823 429040957 /nfs/dbraw/zinc/04/09/57/429040957.db2.gz LCMILUULKAFMGI-APIJFGDWSA-N 1 0 322.409 2.822 20 5 DFBDRO CON1CCC([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000421866169 429042299 /nfs/dbraw/zinc/04/22/99/429042299.db2.gz AFYCMNWQUZZTMT-INIZCTEOSA-N 1 0 319.405 2.933 20 5 DFBDRO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000452092170 429054304 /nfs/dbraw/zinc/05/43/04/429054304.db2.gz SRABGXRJJOJZQD-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC(C)(C)C1 ZINC000452098610 429057146 /nfs/dbraw/zinc/05/71/46/429057146.db2.gz AQLINOJDYDOHBW-UHFFFAOYSA-N 1 0 307.394 2.656 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423967541 429066571 /nfs/dbraw/zinc/06/65/71/429066571.db2.gz STLRNXMZVAAFDH-GDBMZVCRSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349533 429069329 /nfs/dbraw/zinc/06/93/29/429069329.db2.gz VYSNHFTXXOJIHX-KSSFIOAISA-N 1 0 311.385 2.883 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000376259892 429085479 /nfs/dbraw/zinc/08/54/79/429085479.db2.gz IDVGJMOHZLEUOM-ZYHUDNBSSA-N 1 0 311.332 2.936 20 5 DFBDRO C[NH+](C)[C@@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413124469 429142827 /nfs/dbraw/zinc/14/28/27/429142827.db2.gz OUAKHPWUNUAHFS-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](OCC3CC3)C2)cc1 ZINC000494705413 429147792 /nfs/dbraw/zinc/14/77/92/429147792.db2.gz ZDMYDFKCUZOEQS-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435590347 429150484 /nfs/dbraw/zinc/15/04/84/429150484.db2.gz YQLVZZDJUUVWNP-HNNXBMFYSA-N 1 0 318.421 3.507 20 5 DFBDRO C[C@@H]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC[N@@H+]1C ZINC000413157265 429150736 /nfs/dbraw/zinc/15/07/36/429150736.db2.gz HHKHJEYPQUEPEX-RKDXNWHRSA-N 1 0 318.299 2.903 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376512020 429125779 /nfs/dbraw/zinc/12/57/79/429125779.db2.gz GAZZOKAYWRZCDF-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363874800 429132115 /nfs/dbraw/zinc/13/21/15/429132115.db2.gz JFQPAJQPVHCYEJ-BPQIPLTHSA-N 1 0 315.417 2.819 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413119852 429142480 /nfs/dbraw/zinc/14/24/80/429142480.db2.gz YZSIAESRNWAAKN-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487747405 429166968 /nfs/dbraw/zinc/16/69/68/429166968.db2.gz GOOIPCMVWMTNTN-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000317346665 275037745 /nfs/dbraw/zinc/03/77/45/275037745.db2.gz YNSPHCLIMABLQS-GHMZBOCLSA-N 1 0 301.350 2.510 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CC=CCC1)CCC2 ZINC000359062599 275037885 /nfs/dbraw/zinc/03/78/85/275037885.db2.gz YYTVTUPWYUSLAD-KRWDZBQOSA-N 1 0 301.390 2.824 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](C3CCC3)CC2)c1 ZINC000297116307 275038823 /nfs/dbraw/zinc/03/88/23/275038823.db2.gz MALPNDORRAQXAN-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](C2CC2)[C@H]2CCc3ccccc32)c1 ZINC000157774494 275041944 /nfs/dbraw/zinc/04/19/44/275041944.db2.gz BWQCATQYLUENKO-KRWDZBQOSA-N 1 0 312.373 2.943 20 5 DFBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000364202931 429172959 /nfs/dbraw/zinc/17/29/59/429172959.db2.gz JZKGYCGLLASRCE-UKRRQHHQSA-N 1 0 323.780 2.592 20 5 DFBDRO COc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364283019 429174772 /nfs/dbraw/zinc/17/47/72/429174772.db2.gz QSLTXWONFMGAQW-BFHYXJOUSA-N 1 0 317.389 2.524 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000364311668 429179478 /nfs/dbraw/zinc/17/94/78/429179478.db2.gz WTQHGFBSGSHISA-YSVLISHTSA-N 1 0 320.389 2.892 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCCC3CCOCC3)C2)c1 ZINC000364329352 429183435 /nfs/dbraw/zinc/18/34/35/429183435.db2.gz QUJPJPJCQIZUPV-OAHLLOKOSA-N 1 0 322.409 2.635 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CC1(C)C ZINC000489437452 429242563 /nfs/dbraw/zinc/24/25/63/429242563.db2.gz ZGMJWXPZCLAPKR-CQSZACIVSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1sc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000456197623 429255610 /nfs/dbraw/zinc/25/56/10/429255610.db2.gz IVCVYPQJXYZDDJ-UHFFFAOYSA-N 1 0 313.423 2.815 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000425277239 429256297 /nfs/dbraw/zinc/25/62/97/429256297.db2.gz CKYGCHHMBQNKDC-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@@H]2C1 ZINC000425290017 429259187 /nfs/dbraw/zinc/25/91/87/429259187.db2.gz WMENHHJPAGEBQU-XJKSGUPXSA-N 1 0 312.373 2.673 20 5 DFBDRO CN(C(=O)C[N@H+](C)C1(C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000489837867 429264512 /nfs/dbraw/zinc/26/45/12/429264512.db2.gz HPRDRLYVYMUOJC-UHFFFAOYSA-N 1 0 305.378 2.822 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000449082971 429327135 /nfs/dbraw/zinc/32/71/35/429327135.db2.gz RHIOFLPPLUBANN-UKPHBRMFSA-N 1 0 303.406 2.742 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CO)c(F)c1 ZINC000449095109 429331404 /nfs/dbraw/zinc/33/14/04/429331404.db2.gz WGMRJSRKLVASHP-GFCCVEGCSA-N 1 0 318.348 2.947 20 5 DFBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449117813 429335937 /nfs/dbraw/zinc/33/59/37/429335937.db2.gz QILRVDNOQONSKS-NSHDSACASA-N 1 0 302.378 2.666 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCN1CCCCC1=O ZINC000449132866 429341024 /nfs/dbraw/zinc/34/10/24/429341024.db2.gz BWSIZXRIVAUBPZ-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449151930 429345162 /nfs/dbraw/zinc/34/51/62/429345162.db2.gz ZCKIZEJANVLHMI-MLGOLLRUSA-N 1 0 318.348 2.988 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426488700 429397017 /nfs/dbraw/zinc/39/70/17/429397017.db2.gz XJMRKAQZQJRMEK-JSGCOSHPSA-N 1 0 306.362 2.857 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365891740 429398198 /nfs/dbraw/zinc/39/81/98/429398198.db2.gz LSBYDOGSDYBGPR-XJKSGUPXSA-N 1 0 321.446 2.779 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000365823978 429379700 /nfs/dbraw/zinc/37/97/00/429379700.db2.gz IOIAFPZGRYWIKI-OAHLLOKOSA-N 1 0 318.352 2.638 20 5 DFBDRO Cc1ccc([C@@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365840324 429382732 /nfs/dbraw/zinc/38/27/32/429382732.db2.gz MOLNDXQLKMRSBM-MRXNPFEDSA-N 1 0 314.389 2.979 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449318213 429385766 /nfs/dbraw/zinc/38/57/66/429385766.db2.gz UYQOTZQYNOQQEQ-GFCCVEGCSA-N 1 0 308.378 2.705 20 5 DFBDRO CCc1nnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449331993 429389879 /nfs/dbraw/zinc/38/98/79/429389879.db2.gz BFSBQINJSSOVCF-JTQLQIEISA-N 1 0 306.391 2.730 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513810 429439114 /nfs/dbraw/zinc/43/91/14/429439114.db2.gz ULCRVKPRZXCXMT-YOEHRIQHSA-N 1 0 324.421 2.982 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449587854 429456873 /nfs/dbraw/zinc/45/68/73/429456873.db2.gz PGGRTXJYJIOYTG-KBPBESRZSA-N 1 0 316.405 2.870 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000492058539 429460645 /nfs/dbraw/zinc/46/06/45/429460645.db2.gz DQXZKVZOQOPYLP-LBPRGKRZSA-N 1 0 309.797 2.918 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449455241 429422976 /nfs/dbraw/zinc/42/29/76/429422976.db2.gz BXOSSQVZDSMILD-IEVHZMJVSA-N 1 0 320.389 2.639 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449461036 429424562 /nfs/dbraw/zinc/42/45/62/429424562.db2.gz PBYUQGDAVLHYPL-JLJPHGGASA-N 1 0 322.405 2.557 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449499160 429435681 /nfs/dbraw/zinc/43/56/81/429435681.db2.gz SXMYHXKULGUBDK-DOMZBBRYSA-N 1 0 308.378 2.850 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449747281 429495317 /nfs/dbraw/zinc/49/53/17/429495317.db2.gz IQTVCZNYNHURRC-CQSZACIVSA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1(C)C ZINC000449784628 429510199 /nfs/dbraw/zinc/51/01/99/429510199.db2.gz XRSDSTNSCFPMDZ-CQSZACIVSA-N 1 0 305.422 2.990 20 5 DFBDRO CCOc1cc(CN(C)C2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000492488378 429550099 /nfs/dbraw/zinc/55/00/99/429550099.db2.gz ULMNLTLPVFJTHA-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CC2(C)OCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000279209386 275859847 /nfs/dbraw/zinc/85/98/47/275859847.db2.gz XZABEVPBQUBTLL-CQSZACIVSA-N 1 0 306.362 2.670 20 5 DFBDRO COC(=O)c1cc(N[C@@H](C)C[N@H+](C)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000521948184 429570089 /nfs/dbraw/zinc/57/00/89/429570089.db2.gz ZURBLJCUPBHMOO-LBPRGKRZSA-N 1 0 323.393 2.830 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000521116450 429539814 /nfs/dbraw/zinc/53/98/14/429539814.db2.gz LPTFIRMDRPMTFA-OEFJIQFBSA-N 1 0 303.406 2.880 20 5 DFBDRO COc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000429535646 429615148 /nfs/dbraw/zinc/61/51/48/429615148.db2.gz CKQNOCCISMJSQB-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450375775 429612724 /nfs/dbraw/zinc/61/27/24/429612724.db2.gz FMPCDRWMSLXYSE-BLLLJJGKSA-N 1 0 314.389 3.284 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000430214494 429663654 /nfs/dbraw/zinc/66/36/54/429663654.db2.gz ZOGFQEPDKWWYIV-DZGCQCFKSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217182 429664214 /nfs/dbraw/zinc/66/42/14/429664214.db2.gz IVPBGBYOKFFEDS-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279135105 276067516 /nfs/dbraw/zinc/06/75/16/276067516.db2.gz RJWCEZUFCHLUFO-IAQYHMDHSA-N 1 0 319.405 2.774 20 5 DFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271740556 276090353 /nfs/dbraw/zinc/09/03/53/276090353.db2.gz CBYKMMUILAZVPX-CHWSQXEVSA-N 1 0 307.394 2.892 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188078410 276167621 /nfs/dbraw/zinc/16/76/21/276167621.db2.gz CEDMCAVKJVJBDG-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367625175 429689865 /nfs/dbraw/zinc/68/98/65/429689865.db2.gz XDCZQXYRPQYVAC-OAGGEKHMSA-N 1 0 319.405 2.566 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408172515 276234421 /nfs/dbraw/zinc/23/44/21/276234421.db2.gz XJPPDDWXJMYJOZ-KGLIPLIRSA-N 1 0 304.394 2.670 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)CC(C)C ZINC000470867668 429711337 /nfs/dbraw/zinc/71/13/37/429711337.db2.gz USNCWKUIGKPICO-CQSZACIVSA-N 1 0 308.426 3.467 20 5 DFBDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000430758373 429713856 /nfs/dbraw/zinc/71/38/56/429713856.db2.gz AFFJLVGCRVWJRA-QGZVFWFLSA-N 1 0 319.405 2.676 20 5 DFBDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262318 429798485 /nfs/dbraw/zinc/79/84/85/429798485.db2.gz XJTPYSBGLJSPRK-BBRMVZONSA-N 1 0 322.405 2.975 20 5 DFBDRO CC(C)[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487079258 429764485 /nfs/dbraw/zinc/76/44/85/429764485.db2.gz BMUABGLGZCQMPJ-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CCOc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487070590 429765558 /nfs/dbraw/zinc/76/55/58/429765558.db2.gz UWJLUECRCQYVIJ-HNNXBMFYSA-N 1 0 307.394 2.770 20 5 DFBDRO COc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000451102996 429767065 /nfs/dbraw/zinc/76/70/65/429767065.db2.gz LUQMFGSPPQAYMG-JTQLQIEISA-N 1 0 302.334 2.553 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000431554635 429769827 /nfs/dbraw/zinc/76/98/27/429769827.db2.gz DGBOUUNNTOHESZ-OCCSQVGLSA-N 1 0 322.409 2.553 20 5 DFBDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110138 429769994 /nfs/dbraw/zinc/76/99/94/429769994.db2.gz ZSSUOWMJTKQSDP-RYUDHWBXSA-N 1 0 307.394 2.939 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000090538368 276532506 /nfs/dbraw/zinc/53/25/06/276532506.db2.gz QSZMUBFHZRYNNJ-CQSZACIVSA-N 1 0 310.304 2.810 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451413872 429824815 /nfs/dbraw/zinc/82/48/15/429824815.db2.gz HRFNQDJLAOZPAG-DJSGYFEHSA-N 1 0 308.353 2.859 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000451475770 429832664 /nfs/dbraw/zinc/83/26/64/429832664.db2.gz DDKZTHVALZKPOT-IMJJTQAJSA-N 1 0 320.389 2.897 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@@H]21 ZINC000451481736 429834571 /nfs/dbraw/zinc/83/45/71/429834571.db2.gz UPTALQBYDWOZFU-XHSDSOJGSA-N 1 0 320.389 2.767 20 5 DFBDRO Nc1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccn1 ZINC000451552134 429851876 /nfs/dbraw/zinc/85/18/76/429851876.db2.gz VSDRTXUBXFOONI-OAHLLOKOSA-N 1 0 312.373 2.952 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCn3cccn3)C2)cc1 ZINC000451549657 429852054 /nfs/dbraw/zinc/85/20/54/429852054.db2.gz PYEDHQUSLXXNGM-OAHLLOKOSA-N 1 0 300.362 2.671 20 5 DFBDRO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551697 429852186 /nfs/dbraw/zinc/85/21/86/429852186.db2.gz UQFGPAIMGSFPMG-DOTOQJQBSA-N 1 0 322.405 2.560 20 5 DFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCn3ccnc3)C2)cc1 ZINC000451551196 429852383 /nfs/dbraw/zinc/85/23/83/429852383.db2.gz TUGMPKLUEMBRLC-HNNXBMFYSA-N 1 0 300.362 2.671 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451593409 429859179 /nfs/dbraw/zinc/85/91/79/429859179.db2.gz HVIYUKHNBXFECT-NVXWUHKLSA-N 1 0 324.421 2.982 20 5 DFBDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494242669 429861413 /nfs/dbraw/zinc/86/14/13/429861413.db2.gz URXPBLPALXLHIR-BZNIZROVSA-N 1 0 317.345 2.907 20 5 DFBDRO CS[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000432332255 429814558 /nfs/dbraw/zinc/81/45/58/429814558.db2.gz VWKRPDRQIBYWJY-NWDGAFQWSA-N 1 0 315.826 2.730 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432322637 429814651 /nfs/dbraw/zinc/81/46/51/429814651.db2.gz MOYQSMHYAHOGSB-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608156 429877768 /nfs/dbraw/zinc/87/77/68/429877768.db2.gz LXISTTJEZVBHNE-JSGCOSHPSA-N 1 0 300.362 2.911 20 5 DFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC3[N+](=O)[O-])c2C1 ZINC000368948459 429903442 /nfs/dbraw/zinc/90/34/42/429903442.db2.gz JUNKORYTAYIEPT-CZUORRHYSA-N 1 0 317.389 2.652 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700758 429875236 /nfs/dbraw/zinc/87/52/36/429875236.db2.gz OPMUFDVZUYRTPD-WWGRRREGSA-N 1 0 320.389 2.586 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000573582917 429962731 /nfs/dbraw/zinc/96/27/31/429962731.db2.gz SNWCVTKWWDNVCS-GFCCVEGCSA-N 1 0 303.362 2.776 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000558183049 429964033 /nfs/dbraw/zinc/96/40/33/429964033.db2.gz SQIOILAEFKFITO-AOOOYVTPSA-N 1 0 320.315 2.881 20 5 DFBDRO CCOc1cc(C[NH2+]C(C)(C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000557605630 429947021 /nfs/dbraw/zinc/94/70/21/429947021.db2.gz OQMCGHXWBDUETJ-UHFFFAOYSA-N 1 0 318.377 2.752 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCO[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000369459078 429949598 /nfs/dbraw/zinc/94/95/98/429949598.db2.gz UGFSVHHKRCRENS-XJKSGUPXSA-N 1 0 306.362 2.747 20 5 DFBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000574030700 430004032 /nfs/dbraw/zinc/00/40/32/430004032.db2.gz KJAKDUSIMSWFLR-CBBWQLFWSA-N 1 0 322.409 2.822 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000134788461 276837493 /nfs/dbraw/zinc/83/74/93/276837493.db2.gz DKLFSUVZUQOXJW-CQSZACIVSA-N 1 0 312.373 2.797 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cncs3)c2c1 ZINC000561753851 430100120 /nfs/dbraw/zinc/10/01/20/430100120.db2.gz OBDHUBKTXKJBBP-UHFFFAOYSA-N 1 0 302.359 2.865 20 5 DFBDRO CCCC[C@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562058825 430106240 /nfs/dbraw/zinc/10/62/40/430106240.db2.gz SNWMUPRJORJLQX-KBPBESRZSA-N 1 0 310.394 2.845 20 5 DFBDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562058830 430107429 /nfs/dbraw/zinc/10/74/29/430107429.db2.gz SNWMUPRJORJLQX-ZIAGYGMSSA-N 1 0 310.394 2.845 20 5 DFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547158 430132868 /nfs/dbraw/zinc/13/28/68/430132868.db2.gz WCTOMCHIMLARJI-NHYWBVRUSA-N 1 0 316.405 2.763 20 5 DFBDRO CO[C@@H](C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000353782327 277276361 /nfs/dbraw/zinc/27/63/61/277276361.db2.gz TVRJGQCUAVTGKA-LBPRGKRZSA-N 1 0 324.377 2.707 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542254408 430205611 /nfs/dbraw/zinc/20/56/11/430205611.db2.gz SXQOKWJOWYJDJJ-SWLSCSKDSA-N 1 0 310.394 2.749 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000156664093 277285768 /nfs/dbraw/zinc/28/57/68/277285768.db2.gz IEVZHEWNAXXUBF-SNVBAGLBSA-N 1 0 314.183 2.546 20 5 DFBDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000153006689 277333364 /nfs/dbraw/zinc/33/33/64/277333364.db2.gz LKNRPELZQBCXQG-LBPRGKRZSA-N 1 0 321.377 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@@H](O)C2CCCCC2)cc1 ZINC000565534469 430217130 /nfs/dbraw/zinc/21/71/30/430217130.db2.gz BAVBMNAIGJJNRH-MRXNPFEDSA-N 1 0 308.378 2.504 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000543243083 430241650 /nfs/dbraw/zinc/24/16/50/430241650.db2.gz GISPXELMLZWMMN-UHFFFAOYSA-N 1 0 312.329 2.770 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543639821 430255845 /nfs/dbraw/zinc/25/58/45/430255845.db2.gz ARYDSKNFPUKHDD-NSHDSACASA-N 1 0 324.356 2.586 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000582024444 430262522 /nfs/dbraw/zinc/26/25/22/430262522.db2.gz YTLCWFWOVSWDEC-UHFFFAOYSA-N 1 0 309.414 2.841 20 5 DFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(F)c1 ZINC000582246438 430281469 /nfs/dbraw/zinc/28/14/69/430281469.db2.gz ZMFJPVLLKRJTCK-UHFFFAOYSA-N 1 0 319.336 2.708 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582333958 430288516 /nfs/dbraw/zinc/28/85/16/430288516.db2.gz PWABLPHEFLUPCC-OLZOCXBDSA-N 1 0 307.394 2.543 20 5 DFBDRO CC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000582481749 430302468 /nfs/dbraw/zinc/30/24/68/430302468.db2.gz GDGHYOIKIOVAQY-CYBMUJFWSA-N 1 0 308.378 2.504 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000583074703 430360911 /nfs/dbraw/zinc/36/09/11/430360911.db2.gz HAOQRBRPIDAGGV-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000271612123 277602194 /nfs/dbraw/zinc/60/21/94/277602194.db2.gz KVYSBQKWQOEJGZ-TZMCWYRMSA-N 1 0 305.378 2.645 20 5 DFBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000548159982 430453515 /nfs/dbraw/zinc/45/35/15/430453515.db2.gz CHQGIGAMCNDPFF-UKRRQHHQSA-N 1 0 307.394 2.705 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCCN1CCO[C@@H](C)C1 ZINC000584211284 430469662 /nfs/dbraw/zinc/46/96/62/430469662.db2.gz QJQWKDDNWKXFGH-NSHDSACASA-N 1 0 313.785 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000548635151 430486615 /nfs/dbraw/zinc/48/66/15/430486615.db2.gz RZTJXBJKFTVXEW-OLZOCXBDSA-N 1 0 300.362 2.765 20 5 DFBDRO Cc1cc(Nc2ccn(C3CC[NH+](C)CC3)n2)c([N+](=O)[O-])s1 ZINC000596214638 430509978 /nfs/dbraw/zinc/50/99/78/430509978.db2.gz FNKMLRUGRLZXGJ-UHFFFAOYSA-N 1 0 321.406 3.172 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549039580 430516095 /nfs/dbraw/zinc/51/60/95/430516095.db2.gz QJQSGRQHASZWBX-RCBQFDQVSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1nc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000599128015 430527007 /nfs/dbraw/zinc/52/70/07/430527007.db2.gz VKIISKXURWELCD-AWEZNQCLSA-N 1 0 304.394 3.117 20 5 DFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554754115 430651692 /nfs/dbraw/zinc/65/16/92/430651692.db2.gz ZDGREFTXUUQLEO-MJBXVCDLSA-N 1 0 319.405 2.639 20 5 DFBDRO CCCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000571873919 430658929 /nfs/dbraw/zinc/65/89/29/430658929.db2.gz JTOGHXZNXJQKHC-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO COc1cccc(N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000274642221 278016477 /nfs/dbraw/zinc/01/64/77/278016477.db2.gz DKAVLIRWYLJGIP-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000556511558 430686565 /nfs/dbraw/zinc/68/65/65/430686565.db2.gz XKYRWJLOZBBARN-CQSZACIVSA-N 1 0 319.405 2.641 20 5 DFBDRO CC(=O)c1ccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000295026301 278247127 /nfs/dbraw/zinc/24/71/27/278247127.db2.gz VKHAGDAJVVQVAO-GFCCVEGCSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273063044 278250307 /nfs/dbraw/zinc/25/03/07/278250307.db2.gz YQZCWLQNAJZXPT-JTQLQIEISA-N 1 0 323.780 2.628 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nccs1 ZINC000112532147 278364838 /nfs/dbraw/zinc/36/48/38/278364838.db2.gz HNJWHIKFIWIIMC-VHSXEESVSA-N 1 0 320.374 2.729 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000182657349 278866894 /nfs/dbraw/zinc/86/68/94/278866894.db2.gz PMKNCLFLGLHCHK-ZDUSSCGKSA-N 1 0 306.362 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368498788 278866915 /nfs/dbraw/zinc/86/69/15/278866915.db2.gz KMXNXMAJOUSAGJ-KCTSRDHCSA-N 1 0 317.389 2.611 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237440288 279404732 /nfs/dbraw/zinc/40/47/32/279404732.db2.gz NPFCFDXBZSAZSM-ZANVPECISA-N 1 0 311.769 2.590 20 5 DFBDRO Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000072012243 280215073 /nfs/dbraw/zinc/21/50/73/280215073.db2.gz HUEJTGUQTKZOIQ-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000408172497 280399339 /nfs/dbraw/zinc/39/93/39/280399339.db2.gz XBDPGWYZPSPYAF-CQSZACIVSA-N 1 0 304.394 2.671 20 5 DFBDRO Cc1cc(N2CC[C@H](C)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302100181 280572549 /nfs/dbraw/zinc/57/25/49/280572549.db2.gz UUXORTHKOGDOSB-QFYYESIMSA-N 1 0 301.346 2.659 20 5 DFBDRO Cc1cc(N2C[C@@H](O)C(C)(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000279498813 280584549 /nfs/dbraw/zinc/58/45/49/280584549.db2.gz PDUCXRJNPZZDFL-OAHLLOKOSA-N 1 0 301.346 2.659 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000359158687 281008611 /nfs/dbraw/zinc/00/86/11/281008611.db2.gz LQTVBIIJBUKMAQ-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)n1 ZINC000178243551 281014296 /nfs/dbraw/zinc/01/42/96/281014296.db2.gz FCHDJPPNFADDCH-KGLIPLIRSA-N 1 0 304.394 2.750 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296791893 281021958 /nfs/dbraw/zinc/02/19/58/281021958.db2.gz QQGJYYGEIKRRPX-GXTWGEPZSA-N 1 0 321.377 2.737 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000363355426 289082260 /nfs/dbraw/zinc/08/22/60/289082260.db2.gz JQQLSONVPJYEFU-AWEZNQCLSA-N 1 0 318.352 2.675 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000363414796 289091951 /nfs/dbraw/zinc/09/19/51/289091951.db2.gz RPEPYALUFCZZRG-HYVNUMGLSA-N 1 0 301.390 2.511 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000415710545 289122922 /nfs/dbraw/zinc/12/29/22/289122922.db2.gz ZMGTYWGJLMTOGO-GFCCVEGCSA-N 1 0 320.393 2.847 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415758583 289131274 /nfs/dbraw/zinc/13/12/74/289131274.db2.gz HRFBTNLXSVDKQM-NHYWBVRUSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415764523 289132495 /nfs/dbraw/zinc/13/24/95/289132495.db2.gz PRPOWETVGHYDLJ-AAEUAGOBSA-N 1 0 320.393 2.667 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415763663 289132563 /nfs/dbraw/zinc/13/25/63/289132563.db2.gz OTCPQKRMSAEPCJ-AWEZNQCLSA-N 1 0 322.409 2.994 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000415768065 289133210 /nfs/dbraw/zinc/13/32/10/289133210.db2.gz VBIBREFGZVVTRX-ZDUSSCGKSA-N 1 0 320.393 2.763 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180392545 289941849 /nfs/dbraw/zinc/94/18/49/289941849.db2.gz KRAAOSVCIWKNNS-MJBXVCDLSA-N 1 0 319.405 2.750 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000237606033 289981782 /nfs/dbraw/zinc/98/17/82/289981782.db2.gz MKNNHJCEQURJBX-NSHDSACASA-N 1 0 314.345 2.936 20 5 DFBDRO COc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286347182 295306870 /nfs/dbraw/zinc/30/68/70/295306870.db2.gz MHLGHZBCRHMVQO-CHWSQXEVSA-N 1 0 305.378 2.666 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc2ncc([N+](=O)[O-])n2n1 ZINC000156478368 295336512 /nfs/dbraw/zinc/33/65/12/295336512.db2.gz QFSKJNOQEVSZIV-LBPRGKRZSA-N 1 0 320.397 2.560 20 5 DFBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000364202932 295336750 /nfs/dbraw/zinc/33/67/50/295336750.db2.gz JZKGYCGLLASRCE-ZFWWWQNUSA-N 1 0 323.780 2.592 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495424987 299926683 /nfs/dbraw/zinc/92/66/83/299926683.db2.gz UTTKZQBSXPKIQY-CHWSQXEVSA-N 1 0 321.377 2.785 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000438513538 297096853 /nfs/dbraw/zinc/09/68/53/297096853.db2.gz ZXPYNXLPMLVMMB-STQMWFEESA-N 1 0 305.378 2.900 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441237304 297177109 /nfs/dbraw/zinc/17/71/09/297177109.db2.gz RYZJITOSPJNVGS-CABCVRRESA-N 1 0 320.389 2.722 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441237307 297177144 /nfs/dbraw/zinc/17/71/44/297177144.db2.gz RYZJITOSPJNVGS-LSDHHAIUSA-N 1 0 320.389 2.722 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3cccc4c[nH]nc43)nc2c1 ZINC000446853583 297288958 /nfs/dbraw/zinc/28/89/58/297288958.db2.gz WDARSLWUMVXCEH-UHFFFAOYSA-N 1 0 322.328 2.637 20 5 DFBDRO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515287 297305997 /nfs/dbraw/zinc/30/59/97/297305997.db2.gz BNAGWCLXGJLINB-ZIAGYGMSSA-N 1 0 310.398 2.680 20 5 DFBDRO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536557 297307187 /nfs/dbraw/zinc/30/71/87/297307187.db2.gz OJPWGTPTZNYANC-RRFJBIMHSA-N 1 0 323.441 2.595 20 5 DFBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536032 297307359 /nfs/dbraw/zinc/30/73/59/297307359.db2.gz KJMQIJPMGJIAQS-BFHYXJOUSA-N 1 0 324.425 2.662 20 5 DFBDRO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447560948 297308210 /nfs/dbraw/zinc/30/82/10/297308210.db2.gz GIZKRGWKBOIPLD-CABCVRRESA-N 1 0 324.425 2.927 20 5 DFBDRO CCOCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447563785 297308746 /nfs/dbraw/zinc/30/87/46/297308746.db2.gz SKKGPOYVPCPWGH-ZIAGYGMSSA-N 1 0 310.398 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCSCC2)n1 ZINC000447586086 297309503 /nfs/dbraw/zinc/30/95/03/297309503.db2.gz LLJBMUISSSMJOS-CHWSQXEVSA-N 1 0 310.423 2.760 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447594272 297310010 /nfs/dbraw/zinc/31/00/10/297310010.db2.gz XXQDKWFPQOGAAW-BRWVUGGUSA-N 1 0 320.389 2.756 20 5 DFBDRO Cc1ncc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c(=O)[nH]1 ZINC000447603040 297310670 /nfs/dbraw/zinc/31/06/70/297310670.db2.gz WIJWXIXJVBEHSQ-HNNXBMFYSA-N 1 0 314.345 2.566 20 5 DFBDRO CCn1nnc(C)c1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000449168726 297416814 /nfs/dbraw/zinc/41/68/14/297416814.db2.gz DYFAZSGHDHIKDT-NSHDSACASA-N 1 0 303.366 2.674 20 5 DFBDRO CC(C)(NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000449307694 297442341 /nfs/dbraw/zinc/44/23/41/297442341.db2.gz QVLJKKHJKXFICP-SWLSCSKDSA-N 1 0 319.405 2.854 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000449309355 297442499 /nfs/dbraw/zinc/44/24/99/297442499.db2.gz DHWPLYVYYGPUOX-DOMZBBRYSA-N 1 0 314.389 2.927 20 5 DFBDRO C[C@H]([NH2+]Cc1cnc(N(C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449350470 297451931 /nfs/dbraw/zinc/45/19/31/297451931.db2.gz WGAKEBUIBBDNJG-JTQLQIEISA-N 1 0 306.391 2.968 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449713099 297517587 /nfs/dbraw/zinc/51/75/87/297517587.db2.gz VXVIBQFLVPRSCP-GXSJLCMTSA-N 1 0 319.386 2.667 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c([N+](=O)[O-])cc1OC ZINC000449743141 297524478 /nfs/dbraw/zinc/52/44/78/297524478.db2.gz VDTUBNGJAVPGIY-AAEUAGOBSA-N 1 0 306.362 2.748 20 5 DFBDRO Cc1nc(N(CC[NH+](C)C)CC2CCCCC2)ncc1[N+](=O)[O-] ZINC000450396426 297624177 /nfs/dbraw/zinc/62/41/77/297624177.db2.gz WVVYKGRMRPEKIV-UHFFFAOYSA-N 1 0 321.425 2.642 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451507274 297819475 /nfs/dbraw/zinc/81/94/75/297819475.db2.gz VPYNRZYDJKJKFM-KMUNFCNLSA-N 1 0 306.337 2.781 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000452576026 297995145 /nfs/dbraw/zinc/99/51/45/297995145.db2.gz SSWXGUSVUOMSDI-UPJWGTAASA-N 1 0 305.378 2.645 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000453115235 298063059 /nfs/dbraw/zinc/06/30/59/298063059.db2.gz WVHMBNKRVKMSLE-HUUCEWRRSA-N 1 0 306.362 2.651 20 5 DFBDRO C[C@@H](Cc1cnccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000453157221 298067682 /nfs/dbraw/zinc/06/76/82/298067682.db2.gz YKPPRHPJILOSON-AWEZNQCLSA-N 1 0 314.389 2.928 20 5 DFBDRO COC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453216404 298071718 /nfs/dbraw/zinc/07/17/18/298071718.db2.gz DVTSAIGFSQZUMH-KBPBESRZSA-N 1 0 322.409 2.824 20 5 DFBDRO CCN1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453372757 298087711 /nfs/dbraw/zinc/08/77/11/298087711.db2.gz VEBGSQRSJOYBJK-NHYWBVRUSA-N 1 0 317.389 2.528 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000454144171 298126102 /nfs/dbraw/zinc/12/61/02/298126102.db2.gz JOLINSZKTAFOPG-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488122 298572619 /nfs/dbraw/zinc/57/26/19/298572619.db2.gz RZHFGLIETAAYMI-LLVKDONJSA-N 1 0 324.356 2.730 20 5 DFBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000495752752 299967501 /nfs/dbraw/zinc/96/75/01/299967501.db2.gz JRYDDKOXWZBHKO-LBPRGKRZSA-N 1 0 321.377 2.724 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505835197 300228451 /nfs/dbraw/zinc/22/84/51/300228451.db2.gz VYYFQUSZJDBRKP-LBPRGKRZSA-N 1 0 318.352 2.847 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000507268476 300235323 /nfs/dbraw/zinc/23/53/23/300235323.db2.gz RHBSINUNXJCIBB-CDMKHQONSA-N 1 0 323.418 2.571 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000517095621 300383262 /nfs/dbraw/zinc/38/32/62/300383262.db2.gz WIEDYJYEEZEIRM-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000518773281 300432243 /nfs/dbraw/zinc/43/22/43/300432243.db2.gz FUIFEPUGVXIIGA-MNOVXSKESA-N 1 0 307.394 2.748 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000520586665 300503102 /nfs/dbraw/zinc/50/31/02/300503102.db2.gz GZSNBBBBZFAJMT-GFCCVEGCSA-N 1 0 320.393 2.840 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@H]1CCCO1 ZINC000526046413 300619269 /nfs/dbraw/zinc/61/92/69/300619269.db2.gz DHPVTZZLOTUEIN-OOXMNIKJSA-N 1 0 320.389 2.783 20 5 DFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000530627353 301060390 /nfs/dbraw/zinc/06/03/90/301060390.db2.gz UVLIMYLMYZUKDL-LBPRGKRZSA-N 1 0 318.352 2.532 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000530835581 301067959 /nfs/dbraw/zinc/06/79/59/301067959.db2.gz NNIJXQNTJZYEEM-ZDUSSCGKSA-N 1 0 319.405 2.617 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccccc3F)CC2)c1 ZINC000531101154 301079338 /nfs/dbraw/zinc/07/93/38/301079338.db2.gz IWNYUNFXLIQDDQ-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532279380 301141931 /nfs/dbraw/zinc/14/19/31/301141931.db2.gz IRCSWKIZVVGSLB-ZIAGYGMSSA-N 1 0 318.373 2.998 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000532971902 301179399 /nfs/dbraw/zinc/17/93/99/301179399.db2.gz MXFGQOBJMMZJEP-RYUDHWBXSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534342373 301229961 /nfs/dbraw/zinc/22/99/61/301229961.db2.gz MDURQBIJMGQYKJ-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC1(C)C ZINC000536871243 301291994 /nfs/dbraw/zinc/29/19/94/301291994.db2.gz OHMWZJRGSXJWOS-VXGBXAGGSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081575 301336875 /nfs/dbraw/zinc/33/68/75/301336875.db2.gz GMFGGMIRFWLCET-TZMCWYRMSA-N 1 0 307.369 2.963 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Cn1cccn1 ZINC000558688039 301855922 /nfs/dbraw/zinc/85/59/22/301855922.db2.gz QCADRANXRSKUHF-CYBMUJFWSA-N 1 0 318.377 2.616 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C[NH+](C)C ZINC000561095835 301922822 /nfs/dbraw/zinc/92/28/22/301922822.db2.gz YYQBRGPIHRWMQX-GFCCVEGCSA-N 1 0 321.421 2.820 20 5 DFBDRO C[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562397870 301969116 /nfs/dbraw/zinc/96/91/16/301969116.db2.gz XCDQZBDCKPYUCG-UONOGXRCSA-N 1 0 319.405 2.689 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[NH+](C2CCCC2)CC1 ZINC000562784077 302001993 /nfs/dbraw/zinc/00/19/93/302001993.db2.gz AYVFEGGDMIATED-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000562783072 302002392 /nfs/dbraw/zinc/00/23/92/302002392.db2.gz YVWHQCZDJDNOQX-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149591 302041513 /nfs/dbraw/zinc/04/15/13/302041513.db2.gz MTCQAQLQWXIYBM-HNNXBMFYSA-N 1 0 309.797 2.824 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418081 302069922 /nfs/dbraw/zinc/06/99/22/302069922.db2.gz SXESEZYXQJBUDC-SWLSCSKDSA-N 1 0 319.405 2.724 20 5 DFBDRO Cc1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000563551068 302082325 /nfs/dbraw/zinc/08/23/25/302082325.db2.gz XAUWTYSFYPCYQW-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000563633626 302089480 /nfs/dbraw/zinc/08/94/80/302089480.db2.gz AVSZBFSSCAETGB-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO CCCC[C@H](C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000563841161 302102078 /nfs/dbraw/zinc/10/20/78/302102078.db2.gz JYCAEQHWTHWAAP-ZDUSSCGKSA-N 1 0 319.405 2.994 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)c1ccccc1 ZINC000563898209 302107431 /nfs/dbraw/zinc/10/74/31/302107431.db2.gz FGSVEFXNVCLGKN-PBHICJAKSA-N 1 0 312.369 2.948 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)c1ccccc1 ZINC000563898211 302107531 /nfs/dbraw/zinc/10/75/31/302107531.db2.gz FGSVEFXNVCLGKN-WMLDXEAASA-N 1 0 312.369 2.948 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000567792719 302389895 /nfs/dbraw/zinc/38/98/95/302389895.db2.gz OFYCCURHBNZCBL-YOEHRIQHSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCn4ccnc43)c2c1 ZINC000572110357 302643267 /nfs/dbraw/zinc/64/32/67/302643267.db2.gz FOMAOTXVXZYIRL-HNNXBMFYSA-N 1 0 311.345 2.550 20 5 DFBDRO Cc1cc(N2CC[NH2+]C(C)(C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000573585799 302711737 /nfs/dbraw/zinc/71/17/37/302711737.db2.gz MXCBPGFDCBETRY-UHFFFAOYSA-N 1 0 300.362 2.640 20 5 DFBDRO COCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000574109101 302740625 /nfs/dbraw/zinc/74/06/25/302740625.db2.gz LFETWDNLCNDZIB-AWEZNQCLSA-N 1 0 322.405 2.997 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000301200794 304810804 /nfs/dbraw/zinc/81/08/04/304810804.db2.gz QDZKUQMWRFFRLN-AWEZNQCLSA-N 1 0 304.394 2.835 20 5 DFBDRO CCC[C@@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000180399889 316032950 /nfs/dbraw/zinc/03/29/50/316032950.db2.gz BSOSQKRQLXOHHT-CQSZACIVSA-N 1 0 319.405 2.789 20 5 DFBDRO CC(C)CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554734 316063199 /nfs/dbraw/zinc/06/31/99/316063199.db2.gz WMQDVEOUWROKQM-OAHLLOKOSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000183304378 316137777 /nfs/dbraw/zinc/13/77/77/316137777.db2.gz STFZLHHUXUGTOK-QGZVFWFLSA-N 1 0 303.406 2.963 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000317403156 316247660 /nfs/dbraw/zinc/24/76/60/316247660.db2.gz GZGCTIUCFJYZKK-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000320107836 316252851 /nfs/dbraw/zinc/25/28/51/316252851.db2.gz ABYPFILGDAUMGL-JTQLQIEISA-N 1 0 321.406 2.742 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000320107841 316252864 /nfs/dbraw/zinc/25/28/64/316252864.db2.gz ABYPFILGDAUMGL-SNVBAGLBSA-N 1 0 321.406 2.742 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@H](CO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000353517726 316529232 /nfs/dbraw/zinc/52/92/32/316529232.db2.gz YTZBZBZSLHNOLI-MLGOLLRUSA-N 1 0 304.390 2.925 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000414517887 316616349 /nfs/dbraw/zinc/61/63/49/316616349.db2.gz AEXGOLKFFNHBFR-CQSZACIVSA-N 1 0 304.321 2.600 20 5 DFBDRO [NH3+]C[C@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414802257 316663272 /nfs/dbraw/zinc/66/32/72/316663272.db2.gz MQITWTUUCJUBBN-AWEZNQCLSA-N 1 0 318.402 2.545 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000446730116 317020911 /nfs/dbraw/zinc/02/09/11/317020911.db2.gz ULGOEZFIGIXMOB-CYBMUJFWSA-N 1 0 308.378 2.960 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449673028 317052249 /nfs/dbraw/zinc/05/22/49/317052249.db2.gz NSZKKWHCEWZOQT-AAEUAGOBSA-N 1 0 318.295 2.648 20 5 DFBDRO C[N@@H+]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000450211293 317068668 /nfs/dbraw/zinc/06/86/68/317068668.db2.gz PAKUPWSUGCWLPB-UHFFFAOYSA-N 1 0 318.402 2.860 20 5 DFBDRO CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452853557 317139137 /nfs/dbraw/zinc/13/91/37/317139137.db2.gz NZYLKDKNTBSTMS-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO COC[C@](C)(O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453248500 317172002 /nfs/dbraw/zinc/17/20/02/317172002.db2.gz FNJMPJSDNXIZJN-NVXWUHKLSA-N 1 0 322.405 2.694 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453265491 317173173 /nfs/dbraw/zinc/17/31/73/317173173.db2.gz JUMNVGOZDUKYMG-XQLPTFJDSA-N 1 0 324.425 2.926 20 5 DFBDRO Cc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000453293802 317177552 /nfs/dbraw/zinc/17/75/52/317177552.db2.gz PWBRPJCQYCFCBW-LSDHHAIUSA-N 1 0 315.377 2.768 20 5 DFBDRO COCC(COC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453327494 317178372 /nfs/dbraw/zinc/17/83/72/317178372.db2.gz DYPWUSXCWNDJTQ-HNNXBMFYSA-N 1 0 308.378 2.568 20 5 DFBDRO COCC(COC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453327496 317178426 /nfs/dbraw/zinc/17/84/26/317178426.db2.gz DYPWUSXCWNDJTQ-OAHLLOKOSA-N 1 0 308.378 2.568 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C2CC2)n1 ZINC000453395148 317183251 /nfs/dbraw/zinc/18/32/51/317183251.db2.gz XETVMQWHMGGGOQ-AJNGGQMLSA-N 1 0 304.394 2.911 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ccc(C)cn2)cc1[N+](=O)[O-] ZINC000453596799 317192923 /nfs/dbraw/zinc/19/29/23/317192923.db2.gz HDINLVZMUATOFN-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO CCCC[N@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000488064757 317365628 /nfs/dbraw/zinc/36/56/28/317365628.db2.gz BYBIOSLEXPSCKI-UHFFFAOYSA-N 1 0 302.378 2.709 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488133163 317369094 /nfs/dbraw/zinc/36/90/94/317369094.db2.gz ZBYREDDGMGLEPA-STQMWFEESA-N 1 0 314.389 2.850 20 5 DFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491533317 317581514 /nfs/dbraw/zinc/58/15/14/317581514.db2.gz PGFANCILRFODJP-JXMNSVBMSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000491533415 317581625 /nfs/dbraw/zinc/58/16/25/317581625.db2.gz PGFANCILRFODJP-YCABEKBOSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491533316 317581752 /nfs/dbraw/zinc/58/17/52/317581752.db2.gz PGFANCILRFODJP-CLOOOTJHSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(C)(CO)[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000518451623 317713697 /nfs/dbraw/zinc/71/36/97/317713697.db2.gz YVEDGMCXQQTPOJ-GMNBZTITSA-N 1 0 304.390 2.995 20 5 DFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000542911381 317823096 /nfs/dbraw/zinc/82/30/96/317823096.db2.gz CJCVVGMFIHWDDL-QGZVFWFLSA-N 1 0 300.358 2.769 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000558296134 317880547 /nfs/dbraw/zinc/88/05/47/317880547.db2.gz RWSMNVBRTLRKPI-HIFRSBDPSA-N 1 0 315.373 2.725 20 5 DFBDRO CC[C@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000574631543 318029216 /nfs/dbraw/zinc/02/92/16/318029216.db2.gz LLZDYXGRCQMQMG-IIAWOOMASA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000574757323 318038604 /nfs/dbraw/zinc/03/86/04/318038604.db2.gz ZZHIBQZNOGHQFA-AJNOYIKESA-N 1 0 324.384 2.650 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000574808937 318041939 /nfs/dbraw/zinc/04/19/39/318041939.db2.gz IXNPCEAIWOELSC-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCn1ccnc1 ZINC000574823614 318043378 /nfs/dbraw/zinc/04/33/78/318043378.db2.gz VJQNUQSGAVDFLQ-OAHLLOKOSA-N 1 0 300.362 2.849 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)cn1 ZINC000575839151 318086367 /nfs/dbraw/zinc/08/63/67/318086367.db2.gz NZFXTXPYPQHHCD-LBPRGKRZSA-N 1 0 314.345 2.911 20 5 DFBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCS1 ZINC000576577465 318135309 /nfs/dbraw/zinc/13/53/09/318135309.db2.gz VYEFRTSQZCCZAM-OAHLLOKOSA-N 1 0 323.418 2.799 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000576583816 318135996 /nfs/dbraw/zinc/13/59/96/318135996.db2.gz HQBATINUEPTJCP-SWLSCSKDSA-N 1 0 319.405 2.953 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000578450580 318261919 /nfs/dbraw/zinc/26/19/19/318261919.db2.gz FZMQLLHKQQONBI-CABCVRRESA-N 1 0 308.378 2.631 20 5 DFBDRO C[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000578828978 318287504 /nfs/dbraw/zinc/28/75/04/318287504.db2.gz CVEKKSZQEIRBTL-CYBMUJFWSA-N 1 0 319.405 2.689 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000578949721 318296468 /nfs/dbraw/zinc/29/64/68/318296468.db2.gz NYVXSFPNWUUEAO-STQMWFEESA-N 1 0 300.362 2.879 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2CC[NH3+])c1 ZINC000579101469 318307233 /nfs/dbraw/zinc/30/72/33/318307233.db2.gz XNGFHVQNFBNNQV-NSHDSACASA-N 1 0 323.418 2.660 20 5 DFBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579344766 318323937 /nfs/dbraw/zinc/32/39/37/318323937.db2.gz MKJOPLWRBKCZJH-KBPBESRZSA-N 1 0 322.405 2.750 20 5 DFBDRO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000383386359 323304250 /nfs/dbraw/zinc/30/42/50/323304250.db2.gz NOCXYRFECRWFCT-VIFPVBQESA-N 1 0 324.125 2.752 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387556314 323326350 /nfs/dbraw/zinc/32/63/50/323326350.db2.gz VYOYIBRNGXWAAO-BXUZGUMPSA-N 1 0 307.394 2.796 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387556315 323326358 /nfs/dbraw/zinc/32/63/58/323326358.db2.gz VYOYIBRNGXWAAO-FZMZJTMJSA-N 1 0 307.394 2.796 20 5 DFBDRO COc1ccc(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000389992137 323340392 /nfs/dbraw/zinc/34/03/92/323340392.db2.gz FSLXNMFQNTYMED-CABCVRRESA-N 1 0 319.405 2.710 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000580770146 323432456 /nfs/dbraw/zinc/43/24/56/323432456.db2.gz QUUITWOWWTUVSG-QPSCCSFWSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@@H](C(=O)NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000581861168 323578515 /nfs/dbraw/zinc/57/85/15/323578515.db2.gz JDCNRGVLQPTSFR-CQSZACIVSA-N 1 0 319.405 2.691 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000583316878 323833354 /nfs/dbraw/zinc/83/33/54/323833354.db2.gz WUFOAVVMSBYRNA-CQSZACIVSA-N 1 0 317.389 2.782 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])nc1 ZINC000309787902 533746509 /nfs/dbraw/zinc/74/65/09/533746509.db2.gz GYUCJHKCTMBDJX-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000305863158 533821620 /nfs/dbraw/zinc/82/16/20/533821620.db2.gz YSGJGPODTXAOQK-YOEHRIQHSA-N 1 0 320.389 2.730 20 5 DFBDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293798548 533836239 /nfs/dbraw/zinc/83/62/39/533836239.db2.gz RAHKNKAXLXLNSD-LBPRGKRZSA-N 1 0 307.394 2.913 20 5 DFBDRO COc1cc(C[NH2+]CCC(C)(F)F)c([N+](=O)[O-])cc1OC ZINC000294657016 533873576 /nfs/dbraw/zinc/87/35/76/533873576.db2.gz ABYPWBXQEKSVDP-UHFFFAOYSA-N 1 0 304.293 2.747 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293692949 533886912 /nfs/dbraw/zinc/88/69/12/533886912.db2.gz MPEDFEABHFFDFL-CYBMUJFWSA-N 1 0 317.389 2.541 20 5 DFBDRO C[C@H]1C[NH+](CCCCNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301981014 533928949 /nfs/dbraw/zinc/92/89/49/533928949.db2.gz AYFTZYGYOPACMD-RYUDHWBXSA-N 1 0 313.423 2.958 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000331997211 533972863 /nfs/dbraw/zinc/97/28/63/533972863.db2.gz BJIQZJXTVBCRQP-UKRRQHHQSA-N 1 0 318.377 2.652 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000322662155 534245158 /nfs/dbraw/zinc/24/51/58/534245158.db2.gz GCBACBRWRHDMGZ-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000302213275 534246689 /nfs/dbraw/zinc/24/66/89/534246689.db2.gz ZFMLFZSMZWNKGL-OLZOCXBDSA-N 1 0 321.377 2.666 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000302213277 534247073 /nfs/dbraw/zinc/24/70/73/534247073.db2.gz ZFMLFZSMZWNKGL-STQMWFEESA-N 1 0 321.377 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000299508470 534333541 /nfs/dbraw/zinc/33/35/41/534333541.db2.gz QWLYCHSNFSRIAI-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286445915 518180748 /nfs/dbraw/zinc/18/07/48/518180748.db2.gz SWUMDVJKUCYXEQ-YPMHNXCESA-N 1 0 320.349 2.566 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000293692952 534432085 /nfs/dbraw/zinc/43/20/85/534432085.db2.gz MPEDFEABHFFDFL-ZDUSSCGKSA-N 1 0 317.389 2.541 20 5 DFBDRO Cc1nc(N(C)CC[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301651065 534437842 /nfs/dbraw/zinc/43/78/42/534437842.db2.gz PZTVEPYSAOBKPH-UHFFFAOYSA-N 1 0 306.410 2.999 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000322108953 534592263 /nfs/dbraw/zinc/59/22/63/534592263.db2.gz OBNJXXFPVKWNNO-UKRRQHHQSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000364204219 525176165 /nfs/dbraw/zinc/17/61/65/525176165.db2.gz WQGSJIHRBFIJLA-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363811115 525204154 /nfs/dbraw/zinc/20/41/54/525204154.db2.gz CIKDGUCNYFHJEJ-KBPBESRZSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000154793538 525544373 /nfs/dbraw/zinc/54/43/73/525544373.db2.gz NFFYNCKCHCFZMU-GFCCVEGCSA-N 1 0 300.362 2.907 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317351641 534882060 /nfs/dbraw/zinc/88/20/60/534882060.db2.gz YYQJTMLOQFDOBF-MNOVXSKESA-N 1 0 306.322 2.542 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000365165793 527350153 /nfs/dbraw/zinc/35/01/53/527350153.db2.gz CNPCCYLJEDNQPK-YJBOKZPZSA-N 1 0 312.369 2.980 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369005736 527403326 /nfs/dbraw/zinc/40/33/26/527403326.db2.gz WCOMLKUULZLNSX-ZFWWWQNUSA-N 1 0 305.378 2.508 20 5 DFBDRO Cc1nn(C)c(N[C@H]2CC[N@@H+](C3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000364268023 527679932 /nfs/dbraw/zinc/67/99/32/527679932.db2.gz SOXVMSNHXSAZKH-ZDUSSCGKSA-N 1 0 321.425 2.846 20 5 DFBDRO CCC1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000296200287 527798960 /nfs/dbraw/zinc/79/89/60/527798960.db2.gz JHZWEDVRYZTBQM-UHFFFAOYSA-N 1 0 317.389 2.796 20 5 DFBDRO CCC[N@H+](CC)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000299387490 527963962 /nfs/dbraw/zinc/96/39/62/527963962.db2.gz QBHMLWYFMMITLW-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO CC(C)C[NH+]1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302035654 527964162 /nfs/dbraw/zinc/96/41/62/527964162.db2.gz LUBAXEBVBHRORP-UHFFFAOYSA-N 1 0 307.394 2.619 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000331262661 528061732 /nfs/dbraw/zinc/06/17/32/528061732.db2.gz MWYPKAQWVLCCDM-CQSZACIVSA-N 1 0 319.405 2.884 20 5 DFBDRO CCOc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301967899 528307616 /nfs/dbraw/zinc/30/76/16/528307616.db2.gz XCIDACRVDKQXKY-TZMCWYRMSA-N 1 0 307.394 2.770 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](O)C(F)F ZINC000295016812 529181622 /nfs/dbraw/zinc/18/16/22/529181622.db2.gz KCPFHANWBYVGTH-MNOVXSKESA-N 1 0 308.712 2.742 20 5 DFBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354471913 535011496 /nfs/dbraw/zinc/01/14/96/535011496.db2.gz DAOJKGNPQNBVAG-UHFFFAOYSA-N 1 0 303.309 2.948 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CCO)C1 ZINC000357822409 535022714 /nfs/dbraw/zinc/02/27/14/535022714.db2.gz YPWWXMIUSQPYFR-ZDUSSCGKSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000249743565 535943170 /nfs/dbraw/zinc/94/31/70/535943170.db2.gz KOJKCZIGIMXGBH-SDDRHHMPSA-N 1 0 323.393 2.955 20 5 DFBDRO C[NH+](C)Cc1ccccc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000362632544 536045388 /nfs/dbraw/zinc/04/53/88/536045388.db2.gz DRRMXLVBHLIEDY-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000261770801 536350210 /nfs/dbraw/zinc/35/02/10/536350210.db2.gz NBVCFMQSKBYKFK-UWVGGRQHSA-N 1 0 322.390 2.982 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000278486411 214185839 /nfs/dbraw/zinc/18/58/39/214185839.db2.gz GPHFDTMPMSXWOV-HNNXBMFYSA-N 1 0 312.373 2.863 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000278545154 214226271 /nfs/dbraw/zinc/22/62/71/214226271.db2.gz AODUIWWXTCOBHO-UHFFFAOYSA-N 1 0 314.345 2.546 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000278548401 214227746 /nfs/dbraw/zinc/22/77/46/214227746.db2.gz BCJLHTFOKSINLD-KGLIPLIRSA-N 1 0 314.769 2.532 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000413027714 295669315 /nfs/dbraw/zinc/66/93/15/295669315.db2.gz ZRTMQXNEXBBGRY-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c1 ZINC000278733578 214362661 /nfs/dbraw/zinc/36/26/61/214362661.db2.gz IGNDOEXGJUELCZ-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[NH+]1CCCCC1 ZINC000318477222 231170247 /nfs/dbraw/zinc/17/02/47/231170247.db2.gz UZKVMHUVRWYREY-UHFFFAOYSA-N 1 0 318.299 2.906 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413111702 295677136 /nfs/dbraw/zinc/67/71/36/295677136.db2.gz IYNCZKYCGVBLEM-VIFPVBQESA-N 1 0 318.299 2.539 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000317198489 231158674 /nfs/dbraw/zinc/15/86/74/231158674.db2.gz LBWLUNUIAQVDJU-MNOVXSKESA-N 1 0 323.780 2.605 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000322601532 231211525 /nfs/dbraw/zinc/21/15/25/231211525.db2.gz MVOVPMZRSZLTME-IIAWOOMASA-N 1 0 320.389 2.729 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1 ZINC000322605920 231211853 /nfs/dbraw/zinc/21/18/53/231211853.db2.gz YYJAWQPQUJBRBM-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214687 185219959 /nfs/dbraw/zinc/21/99/59/185219959.db2.gz WJNGPDLLPLEAAY-GFCCVEGCSA-N 1 0 318.377 2.510 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000050999235 425882375 /nfs/dbraw/zinc/88/23/75/425882375.db2.gz ITSIMHYOYYPWHN-ZFWWWQNUSA-N 1 0 319.405 2.894 20 5 DFBDRO Cc1c(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000066157993 398359755 /nfs/dbraw/zinc/35/97/55/398359755.db2.gz GCCFBWTYQKYVKZ-CYBMUJFWSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066157063 398359858 /nfs/dbraw/zinc/35/98/58/398359858.db2.gz SZRDUXJUPCJYIJ-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO C[C@H]1CC[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)[N@@H+]1C ZINC000596224115 398361827 /nfs/dbraw/zinc/36/18/27/398361827.db2.gz VXDQRDPMIOJWPC-IUCAKERBSA-N 1 0 318.299 2.903 20 5 DFBDRO O=c1[nH]ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000596226748 398362254 /nfs/dbraw/zinc/36/22/54/398362254.db2.gz TZBJBVXMSSPSKF-ZDUSSCGKSA-N 1 0 320.393 2.904 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596229718 398363104 /nfs/dbraw/zinc/36/31/04/398363104.db2.gz DWKAMJKHZMJDGX-CMPLNLGQSA-N 1 0 320.349 2.830 20 5 DFBDRO CC[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000596269618 398372721 /nfs/dbraw/zinc/37/27/21/398372721.db2.gz VOZZFZOGLLUCTG-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000237869840 398375154 /nfs/dbraw/zinc/37/51/54/398375154.db2.gz FBUQMQMJKLENLP-LSDHHAIUSA-N 1 0 305.378 2.509 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000296636586 529666819 /nfs/dbraw/zinc/66/68/19/529666819.db2.gz XSZHQAVUHKTJRS-CDMKHQONSA-N 1 0 302.321 2.958 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000011520293 398382903 /nfs/dbraw/zinc/38/29/03/398382903.db2.gz GMZMMBYAGOSJRM-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[N@H+](C)C1 ZINC000083174574 398384833 /nfs/dbraw/zinc/38/48/33/398384833.db2.gz YZIUQMUUYXXTKV-LBPRGKRZSA-N 1 0 318.377 2.510 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278205147 214021735 /nfs/dbraw/zinc/02/17/35/214021735.db2.gz FIAOXDAXHPGFJE-VIFPVBQESA-N 1 0 318.299 2.903 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245885232 398388715 /nfs/dbraw/zinc/38/87/15/398388715.db2.gz OQDRUNDEJFACMM-UMVBOHGHSA-N 1 0 322.405 2.749 20 5 DFBDRO CS[C@H](CO)[C@H](C)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272824077 210223928 /nfs/dbraw/zinc/22/39/28/210223928.db2.gz JLMMGAYNWMFOIL-ZUZCIYMTSA-N 1 0 321.402 2.976 20 5 DFBDRO CS[C@@H](CO)[C@@H](C)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272824071 210222578 /nfs/dbraw/zinc/22/25/78/210222578.db2.gz JLMMGAYNWMFOIL-BMIGLBTASA-N 1 0 321.402 2.976 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000015257949 398393976 /nfs/dbraw/zinc/39/39/76/398393976.db2.gz WFLBIMFIPCQHGH-TXEJJXNPSA-N 1 0 306.362 2.939 20 5 DFBDRO C[N@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000592179964 398397039 /nfs/dbraw/zinc/39/70/39/398397039.db2.gz AXDGJPHJDLTWFK-UHFFFAOYSA-N 1 0 307.350 2.623 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCC[C@@H]1O ZINC000181442332 199297824 /nfs/dbraw/zinc/29/78/24/199297824.db2.gz VQRUPAQSLGFEEE-RISCZKNCSA-N 1 0 319.361 2.719 20 5 DFBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])CCSC ZINC000592200115 398400909 /nfs/dbraw/zinc/40/09/09/398400909.db2.gz KCLBJYYGERNRFL-UHFFFAOYSA-N 1 0 314.407 2.667 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181550254 199316209 /nfs/dbraw/zinc/31/62/09/199316209.db2.gz VHZQOMUTXQZQGJ-CJNGLKHVSA-N 1 0 319.405 2.894 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000017281360 398403650 /nfs/dbraw/zinc/40/36/50/398403650.db2.gz HHGLZTFLTPNONF-UHFFFAOYSA-N 1 0 308.338 2.788 20 5 DFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000181578289 199320964 /nfs/dbraw/zinc/32/09/64/199320964.db2.gz NQWCPDDPGONKJG-OAHLLOKOSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@H](CCNc1ncc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000596433228 398410550 /nfs/dbraw/zinc/41/05/50/398410550.db2.gz SJXVJDUBUGOADI-MRVPVSSYSA-N 1 0 317.187 2.504 20 5 DFBDRO Cc1cc(N2CC[C@@H](O)C(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596428788 398409755 /nfs/dbraw/zinc/40/97/55/398409755.db2.gz CPGDYJOZFRLQMF-CQSZACIVSA-N 1 0 323.299 2.658 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883768 529811291 /nfs/dbraw/zinc/81/12/91/529811291.db2.gz YAFFLNHPHZMJMC-YXMMZVCTSA-N 1 0 301.390 2.636 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592331243 398412749 /nfs/dbraw/zinc/41/27/49/398412749.db2.gz ZYGAVNBIRVYEPC-CYBMUJFWSA-N 1 0 305.378 2.590 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncccc1[N+](=O)[O-] ZINC000286692706 219112278 /nfs/dbraw/zinc/11/22/78/219112278.db2.gz ZCSIEQQUERQUPF-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000067052667 398414502 /nfs/dbraw/zinc/41/45/02/398414502.db2.gz PHPRNFDMWYLVQV-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000255080701 398424249 /nfs/dbraw/zinc/42/42/49/398424249.db2.gz ZDYRLTWBEMJNDX-GMNBZTITSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000067269186 398425774 /nfs/dbraw/zinc/42/57/74/398425774.db2.gz YDSGRRPRPLUJDC-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000023991615 398427374 /nfs/dbraw/zinc/42/73/74/398427374.db2.gz VJUJXNRRKHILOQ-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000592400067 398421798 /nfs/dbraw/zinc/42/17/98/398421798.db2.gz QGPKXPFAAPGTCN-ZDEQEGDKSA-N 1 0 310.423 2.759 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000592466672 398430320 /nfs/dbraw/zinc/43/03/20/398430320.db2.gz WPJYSLRIZDHQQY-ZDUSSCGKSA-N 1 0 306.410 2.678 20 5 DFBDRO Cc1cc(N2CC[C@@H]3COC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596525784 398438334 /nfs/dbraw/zinc/43/83/34/398438334.db2.gz AEIGYLCQBPLEHN-OLZOCXBDSA-N 1 0 313.357 2.924 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596546065 398443795 /nfs/dbraw/zinc/44/37/95/398443795.db2.gz WUVHLTSLLXMRPI-APPDUMDISA-N 1 0 315.373 2.906 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592542190 398444623 /nfs/dbraw/zinc/44/46/23/398444623.db2.gz PMSUPEWDBBPQQL-DCBWTQNWSA-N 1 0 305.378 2.598 20 5 DFBDRO CC[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592545471 398445075 /nfs/dbraw/zinc/44/50/75/398445075.db2.gz SZKTZQCAJNJKSP-UONOGXRCSA-N 1 0 319.405 2.719 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000592543787 398445095 /nfs/dbraw/zinc/44/50/95/398445095.db2.gz JWOGHVRDHANICR-CQSZACIVSA-N 1 0 319.405 2.590 20 5 DFBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1=CC[N@H+](C)CC1 ZINC000286720143 219128467 /nfs/dbraw/zinc/12/84/67/219128467.db2.gz DZGWAWHMVMDNDR-VIFPVBQESA-N 1 0 319.390 2.662 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796331 398447720 /nfs/dbraw/zinc/44/77/20/398447720.db2.gz QLAHJIVBDUFTKC-OLZOCXBDSA-N 1 0 305.378 2.633 20 5 DFBDRO CC[C@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413521006 295716206 /nfs/dbraw/zinc/71/62/06/295716206.db2.gz QMIVASUGEDOUTH-UKRRQHHQSA-N 1 0 323.418 2.509 20 5 DFBDRO C[N@H+](Cc1ccccc1)CC(C)(C)Nc1ncc([N+](=O)[O-])cn1 ZINC000302224980 530000164 /nfs/dbraw/zinc/00/01/64/530000164.db2.gz OHQZNFYOWYJTMW-UHFFFAOYSA-N 1 0 315.377 2.707 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ccc(N)cc2[N+](=O)[O-])cc1 ZINC000286743458 219140972 /nfs/dbraw/zinc/14/09/72/219140972.db2.gz RALWIDYHYXTLEY-UHFFFAOYSA-N 1 0 314.389 2.893 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596626742 398464309 /nfs/dbraw/zinc/46/43/09/398464309.db2.gz QMPOTGYXDQCZFB-ZDUSSCGKSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000089602787 398459267 /nfs/dbraw/zinc/45/92/67/398459267.db2.gz FCHPYUAUQDJORQ-HNNXBMFYSA-N 1 0 305.378 2.568 20 5 DFBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089602778 398459379 /nfs/dbraw/zinc/45/93/79/398459379.db2.gz QHOVFCVYSMUMOC-OAHLLOKOSA-N 1 0 305.378 2.568 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000027132930 398459819 /nfs/dbraw/zinc/45/98/19/398459819.db2.gz LXUZSOLHVCUDGA-NSHDSACASA-N 1 0 323.393 2.908 20 5 DFBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@@H]1CC[N@H+](CC)C1 ZINC000596636838 398467160 /nfs/dbraw/zinc/46/71/60/398467160.db2.gz WJAWCCBIQFAEDM-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1sc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027769414 398467150 /nfs/dbraw/zinc/46/71/50/398467150.db2.gz OGJIHXHTXQGYMO-JTQLQIEISA-N 1 0 311.407 2.569 20 5 DFBDRO Nc1cccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000596650998 398472282 /nfs/dbraw/zinc/47/22/82/398472282.db2.gz NHHKXMLKPLHFIF-HUUCEWRRSA-N 1 0 315.377 2.647 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000181695268 199340031 /nfs/dbraw/zinc/34/00/31/199340031.db2.gz JXKFBZRZCBOYJL-KBMXLJTQSA-N 1 0 320.389 2.897 20 5 DFBDRO CC1(C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000083419594 192370702 /nfs/dbraw/zinc/37/07/02/192370702.db2.gz CYVQIJITJPANAM-UHFFFAOYSA-N 1 0 323.418 2.751 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090145557 398482524 /nfs/dbraw/zinc/48/25/24/398482524.db2.gz QJDSRIQNBUTHFJ-HUUCEWRRSA-N 1 0 305.378 2.568 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822843 398509542 /nfs/dbraw/zinc/50/95/42/398509542.db2.gz GWQHYDPGYQMRHI-UONOGXRCSA-N 1 0 321.425 2.573 20 5 DFBDRO C[C@H](CCCCO)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959282 398519494 /nfs/dbraw/zinc/51/94/94/398519494.db2.gz VAZAQLYGAZKYJX-GFCCVEGCSA-N 1 0 305.378 2.759 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000068722855 398522636 /nfs/dbraw/zinc/52/26/36/398522636.db2.gz CIVKZAWXGIFOGE-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000072986874 282519367 /nfs/dbraw/zinc/51/93/67/282519367.db2.gz GDQSLAMEXNHFJG-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCC1CC[NH+](C2CC2)CC1 ZINC000277709588 213710210 /nfs/dbraw/zinc/71/02/10/213710210.db2.gz IMVDDPZZAQTHEV-UHFFFAOYSA-N 1 0 310.785 2.930 20 5 DFBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000272652410 210057277 /nfs/dbraw/zinc/05/72/77/210057277.db2.gz FRQCMWGHWRRGEJ-OAHLLOKOSA-N 1 0 320.345 2.606 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000589162146 398531086 /nfs/dbraw/zinc/53/10/86/398531086.db2.gz JILLPSWZNVEQTC-RYUDHWBXSA-N 1 0 306.284 2.632 20 5 DFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000593060784 398534999 /nfs/dbraw/zinc/53/49/99/398534999.db2.gz IHONMUWWNXXRFS-HNNXBMFYSA-N 1 0 319.336 2.637 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000032729889 398536339 /nfs/dbraw/zinc/53/63/39/398536339.db2.gz XMBIRQXGLOMDHI-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075541 398538983 /nfs/dbraw/zinc/53/89/83/398538983.db2.gz GQRUWDQASFIWJA-ZDUSSCGKSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000321134905 398552062 /nfs/dbraw/zinc/55/20/62/398552062.db2.gz ULHKISTZPPOUDL-ZFWWWQNUSA-N 1 0 317.389 2.507 20 5 DFBDRO CCCCOC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000279773298 215134223 /nfs/dbraw/zinc/13/42/23/215134223.db2.gz TTWYPBLKJPJGPB-KRWDZBQOSA-N 1 0 322.405 2.737 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950652 398555209 /nfs/dbraw/zinc/55/52/09/398555209.db2.gz GUIFUGKLMRYABV-HUUCEWRRSA-N 1 0 319.405 2.567 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000589494552 398556396 /nfs/dbraw/zinc/55/63/96/398556396.db2.gz NMYQVPQVZXRPIZ-TXEJJXNPSA-N 1 0 306.362 2.859 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322282245 398556493 /nfs/dbraw/zinc/55/64/93/398556493.db2.gz OERFFLCQLGWTKJ-YLVFBTJISA-N 1 0 313.357 2.659 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322282242 398556557 /nfs/dbraw/zinc/55/65/57/398556557.db2.gz OERFFLCQLGWTKJ-KHIZAZIESA-N 1 0 313.357 2.659 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H]1CN(CC)CCO1)c1cccc([N+](=O)[O-])c1 ZINC000322374990 398557281 /nfs/dbraw/zinc/55/72/81/398557281.db2.gz BNZJABNSRMNISB-DLBZAZTESA-N 1 0 321.421 2.746 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@H](C)CC2)c1 ZINC000589513051 398558628 /nfs/dbraw/zinc/55/86/28/398558628.db2.gz ZXQBIDIKWDAFNA-LLVKDONJSA-N 1 0 324.402 2.709 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000589514788 398558825 /nfs/dbraw/zinc/55/88/25/398558825.db2.gz MKYGNPIKBJFKHE-FZMZJTMJSA-N 1 0 304.346 2.756 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000593190058 398568302 /nfs/dbraw/zinc/56/83/02/398568302.db2.gz DELACAKELCXCPP-MGPQQGTHSA-N 1 0 319.405 2.765 20 5 DFBDRO Cc1cc(C(=O)NCCC[N@@H+](C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000593203731 398571684 /nfs/dbraw/zinc/57/16/84/398571684.db2.gz FYWWHZJIKWHYPO-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000127044151 185915310 /nfs/dbraw/zinc/91/53/10/185915310.db2.gz DAKYLHPCMXQXCX-HNNXBMFYSA-N 1 0 307.394 2.942 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NCCC1CC[NH2+]CC1)CCCC2 ZINC000593233444 398576962 /nfs/dbraw/zinc/57/69/62/398576962.db2.gz PQPKTFSDCWBPMD-UHFFFAOYSA-N 1 0 304.394 2.670 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593232460 398577009 /nfs/dbraw/zinc/57/70/09/398577009.db2.gz OLPLLUXJIPRAIO-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH3+] ZINC000593229212 398576204 /nfs/dbraw/zinc/57/62/04/398576204.db2.gz HVLSDUBYZXMVJL-SMDDNHRTSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCCC2CC[NH2+]CC2)c1 ZINC000593233883 398577440 /nfs/dbraw/zinc/57/74/40/398577440.db2.gz ZLZKXXGNMKFPHI-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589938410 398584263 /nfs/dbraw/zinc/58/42/63/398584263.db2.gz QKFGAVYBGIAUCY-YPMHNXCESA-N 1 0 318.295 2.839 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589939127 398584443 /nfs/dbraw/zinc/58/44/43/398584443.db2.gz RVUJZFYZUKXDOG-PWSUYJOCSA-N 1 0 304.268 2.530 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589938128 398584524 /nfs/dbraw/zinc/58/45/24/398584524.db2.gz FFODGLIZPPYNOU-YPMHNXCESA-N 1 0 318.295 2.839 20 5 DFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000092622497 398588695 /nfs/dbraw/zinc/58/86/95/398588695.db2.gz FFPSLVXCFANTQR-UHFFFAOYSA-N 1 0 301.293 2.702 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092649964 398589242 /nfs/dbraw/zinc/58/92/42/398589242.db2.gz BOVUMQFUYMXPEX-UHFFFAOYSA-N 1 0 315.320 2.728 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590012292 398590487 /nfs/dbraw/zinc/59/04/87/398590487.db2.gz QCYJYUDGLJXCTC-BBRMVZONSA-N 1 0 319.405 2.518 20 5 DFBDRO CCOc1cc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656975 398590962 /nfs/dbraw/zinc/59/09/62/398590962.db2.gz VOXZKARNAXCJMR-OCCSQVGLSA-N 1 0 307.394 2.912 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000597223628 398597056 /nfs/dbraw/zinc/59/70/56/398597056.db2.gz ROJZHWZZVMIKLY-ZIAGYGMSSA-N 1 0 312.373 2.837 20 5 DFBDRO Cc1n[nH]c(C2CC[NH+](Cc3ccc(C)c([N+](=O)[O-])c3)CC2)n1 ZINC000092736721 398597546 /nfs/dbraw/zinc/59/75/46/398597546.db2.gz CVAFUDVRPAEWMC-UHFFFAOYSA-N 1 0 315.377 2.709 20 5 DFBDRO Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134557 398599299 /nfs/dbraw/zinc/59/92/99/398599299.db2.gz WWFWXMWRNHFONB-UWVGGRQHSA-N 1 0 315.295 2.578 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000070791791 398599876 /nfs/dbraw/zinc/59/98/76/398599876.db2.gz NPHRZIQYMWNKJN-LLVKDONJSA-N 1 0 323.422 2.980 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000597236945 398600549 /nfs/dbraw/zinc/60/05/49/398600549.db2.gz ZHMRZQZFDYEFLU-HOCLYGCPSA-N 1 0 306.362 2.806 20 5 DFBDRO CC(C)CCC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090552367 282678173 /nfs/dbraw/zinc/67/81/73/282678173.db2.gz WIWAOPFSWCBKLQ-UHFFFAOYSA-N 1 0 321.421 2.905 20 5 DFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000459690753 299165920 /nfs/dbraw/zinc/16/59/20/299165920.db2.gz FOPRYXIKQCDTEC-ZDUSSCGKSA-N 1 0 316.332 3.000 20 5 DFBDRO COc1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000459694141 299166564 /nfs/dbraw/zinc/16/65/64/299166564.db2.gz DEHAUYBLLYJRPJ-DZGCQCFKSA-N 1 0 318.373 2.604 20 5 DFBDRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664974 398629609 /nfs/dbraw/zinc/62/96/09/398629609.db2.gz WREDPGATPAWARG-JSGCOSHPSA-N 1 0 313.361 2.632 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072697850 398630334 /nfs/dbraw/zinc/63/03/34/398630334.db2.gz PVDSBCKBKPSFQF-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152632467 186092005 /nfs/dbraw/zinc/09/20/05/186092005.db2.gz LCWYPFDPAIDMLU-UPJWGTAASA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590569163 398632693 /nfs/dbraw/zinc/63/26/93/398632693.db2.gz NMNIPDYRMZXUJG-SMDDNHRTSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1sc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155696137 186103734 /nfs/dbraw/zinc/10/37/34/186103734.db2.gz ATHJJZFYGVTCNX-LLVKDONJSA-N 1 0 311.407 2.602 20 5 DFBDRO CCC[C@H]([NH2+][C@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000164178102 186151090 /nfs/dbraw/zinc/15/10/90/186151090.db2.gz BGYQYUUVJFUVSS-DOMZBBRYSA-N 1 0 303.366 2.706 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414655825 295812393 /nfs/dbraw/zinc/81/23/93/295812393.db2.gz HNNAFUBDIUVLMI-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000590652463 398645437 /nfs/dbraw/zinc/64/54/37/398645437.db2.gz CFZZUAZOAKIOSM-CMPLNLGQSA-N 1 0 304.350 2.518 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871793 398643676 /nfs/dbraw/zinc/64/36/76/398643676.db2.gz GJRYIDRJUMHYGS-LOWVWBTDSA-N 1 0 305.378 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c(Br)c1 ZINC000044493464 398646272 /nfs/dbraw/zinc/64/62/72/398646272.db2.gz ACESPQULSRTBNG-SECBINFHSA-N 1 0 314.183 2.911 20 5 DFBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000590661414 398647955 /nfs/dbraw/zinc/64/79/55/398647955.db2.gz GZARDEHNDHZWDK-IAQYHMDHSA-N 1 0 302.330 2.810 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000194291868 186278015 /nfs/dbraw/zinc/27/80/15/186278015.db2.gz LOJDLCMJDYUUFP-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@@H]1CC[N@H+](C)C1 ZINC000094121282 398653405 /nfs/dbraw/zinc/65/34/05/398653405.db2.gz FYDITKAMRDBZPA-CQSZACIVSA-N 1 0 319.405 2.544 20 5 DFBDRO Cc1c(NC(=O)NCC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000414705098 295817682 /nfs/dbraw/zinc/81/76/82/295817682.db2.gz NMJQVHLFFBMZFY-UHFFFAOYSA-N 1 0 306.366 2.686 20 5 DFBDRO CCc1nn(C)c(NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000094137067 398654119 /nfs/dbraw/zinc/65/41/19/398654119.db2.gz ISKPLVQSAXVNIQ-CHWSQXEVSA-N 1 0 323.441 2.671 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000171948587 198012895 /nfs/dbraw/zinc/01/28/95/198012895.db2.gz YIRKNZZAGAJCGZ-GFCCVEGCSA-N 1 0 323.393 2.910 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459762472 299185189 /nfs/dbraw/zinc/18/51/89/299185189.db2.gz KHQOYZUVLGPHDP-CABCVRRESA-N 1 0 318.373 2.604 20 5 DFBDRO Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000593694783 398672077 /nfs/dbraw/zinc/67/20/77/398672077.db2.gz SFUYJAFNNJERLS-LBPRGKRZSA-N 1 0 319.386 2.522 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(CO)CCC1 ZINC000593694156 398672613 /nfs/dbraw/zinc/67/26/13/398672613.db2.gz WVLRQVYSHIBAJJ-UHFFFAOYSA-N 1 0 308.378 2.636 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459774424 299188937 /nfs/dbraw/zinc/18/89/37/299188937.db2.gz UBGARKRFNCOJQO-HUUCEWRRSA-N 1 0 306.362 2.651 20 5 DFBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000172858115 198159158 /nfs/dbraw/zinc/15/91/58/198159158.db2.gz CMLOEVQPQFSGFB-QWHCGFSZSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000173051393 198181371 /nfs/dbraw/zinc/18/13/71/198181371.db2.gz YAENZPLHMZHJAC-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459787919 299193486 /nfs/dbraw/zinc/19/34/86/299193486.db2.gz QOPPVDHGDLGRSH-HKCMKHECSA-N 1 0 303.362 2.700 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072897154 191249356 /nfs/dbraw/zinc/24/93/56/191249356.db2.gz RJBBDBBDXLJOIC-CHWSQXEVSA-N 1 0 305.378 2.678 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000072975852 191262201 /nfs/dbraw/zinc/26/22/01/191262201.db2.gz ROIJQRDGKQOFGR-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415060126 295853131 /nfs/dbraw/zinc/85/31/31/295853131.db2.gz XZKSRGCCWNCRNZ-FWOBMTDDSA-N 1 0 323.396 2.953 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173576882 198230119 /nfs/dbraw/zinc/23/01/19/198230119.db2.gz RNHOFOFQGPRBGL-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000174243616 198310300 /nfs/dbraw/zinc/31/03/00/198310300.db2.gz AFEARHUNOYGUMM-INIZCTEOSA-N 1 0 306.362 2.617 20 5 DFBDRO C[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593914176 398703120 /nfs/dbraw/zinc/70/31/20/398703120.db2.gz AHVLWMWSFPZFDT-CJNGLKHVSA-N 1 0 319.405 2.503 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593910410 398703179 /nfs/dbraw/zinc/70/31/79/398703179.db2.gz WFEBMOAONJLTRE-DOMZBBRYSA-N 1 0 305.378 2.552 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000593918799 398703743 /nfs/dbraw/zinc/70/37/43/398703743.db2.gz JLVGSCRHVBXBCQ-UHFFFAOYSA-N 1 0 319.405 2.838 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000597859306 398705939 /nfs/dbraw/zinc/70/59/39/398705939.db2.gz UCMYWRCMGZKVTE-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO C[N@@H+](CCc1ccc(Cl)cc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174862141 198393970 /nfs/dbraw/zinc/39/39/70/198393970.db2.gz XYSWTLWSPNHKPD-UHFFFAOYSA-N 1 0 308.769 2.619 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cccc1[N+](=O)[O-] ZINC000108496911 398712168 /nfs/dbraw/zinc/71/21/68/398712168.db2.gz WITDHGRCJYHAOD-ZDUSSCGKSA-N 1 0 318.377 2.509 20 5 DFBDRO C[C@H](CCNC(=O)c1cc(F)ccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182233297 199407606 /nfs/dbraw/zinc/40/76/06/199407606.db2.gz XXMNGBABSAHEOC-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO CCOC(=O)c1cc(NCC(C)(C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000277055310 213266599 /nfs/dbraw/zinc/26/65/99/213266599.db2.gz HKARPUZOMCRZJA-UHFFFAOYSA-N 1 0 309.366 2.524 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061807 398720160 /nfs/dbraw/zinc/72/01/60/398720160.db2.gz JESBRSAAMRIRMW-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000277043057 213259218 /nfs/dbraw/zinc/25/92/18/213259218.db2.gz PMEIRYCNVJFTSO-NSHDSACASA-N 1 0 309.366 2.507 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCCC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000594017187 398721666 /nfs/dbraw/zinc/72/16/66/398721666.db2.gz UCFHMBJLPYALOO-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922923 398721968 /nfs/dbraw/zinc/72/19/68/398721968.db2.gz GYFXXSDAOTUHNW-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597924674 398722014 /nfs/dbraw/zinc/72/20/14/398722014.db2.gz JPKNWDBOVQXYHC-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597924997 398722215 /nfs/dbraw/zinc/72/22/15/398722215.db2.gz MBKRQDVALLAKHN-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1F ZINC000594019380 398722905 /nfs/dbraw/zinc/72/29/05/398722905.db2.gz IHONMUWWNXXRFS-OAHLLOKOSA-N 1 0 319.336 2.637 20 5 DFBDRO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000597945555 398725596 /nfs/dbraw/zinc/72/55/96/398725596.db2.gz IAUNVLWSCVTROE-CQSZACIVSA-N 1 0 319.405 2.884 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415491487 295887405 /nfs/dbraw/zinc/88/74/05/295887405.db2.gz ZVHVULCLUROIJH-MRXNPFEDSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415579242 295891687 /nfs/dbraw/zinc/89/16/87/295891687.db2.gz JXQGLAMBUIOCQZ-ZDUSSCGKSA-N 1 0 308.382 2.707 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415582421 295892033 /nfs/dbraw/zinc/89/20/33/295892033.db2.gz OXBQCMDVSRWKNT-LBPRGKRZSA-N 1 0 308.382 2.851 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140036 398730816 /nfs/dbraw/zinc/73/08/16/398730816.db2.gz OCRDBCFYHWFGRG-TXEJJXNPSA-N 1 0 310.373 2.909 20 5 DFBDRO CCOC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594050409 398731775 /nfs/dbraw/zinc/73/17/75/398731775.db2.gz GUWBMMIVFNDLEA-UHFFFAOYSA-N 1 0 308.378 2.801 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)[C@@H](C)C1 ZINC000591149543 398732437 /nfs/dbraw/zinc/73/24/37/398732437.db2.gz FTQCOMYEHZHZRF-KWQFWETISA-N 1 0 318.299 2.761 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149427 398732642 /nfs/dbraw/zinc/73/26/42/398732642.db2.gz ZLVFUQJWZLUTRB-RYUDHWBXSA-N 1 0 308.357 2.582 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000594053114 398732872 /nfs/dbraw/zinc/73/28/72/398732872.db2.gz LTAKKDLDPXFRHT-OAHLLOKOSA-N 1 0 319.405 2.801 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000415632158 295895229 /nfs/dbraw/zinc/89/52/29/295895229.db2.gz OATIWNFYGIYWAO-CQSZACIVSA-N 1 0 324.356 2.763 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992386 398734493 /nfs/dbraw/zinc/73/44/93/398734493.db2.gz JRXIHGNVHCEWFV-LBPRGKRZSA-N 1 0 307.394 2.590 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597994515 398735210 /nfs/dbraw/zinc/73/52/10/398735210.db2.gz ZKUCNGSARLARID-SNVBAGLBSA-N 1 0 313.785 2.627 20 5 DFBDRO Cc1sc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000047143251 398737934 /nfs/dbraw/zinc/73/79/34/398737934.db2.gz QRBWZYXTSXIKKM-SNVBAGLBSA-N 1 0 311.407 2.569 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594094192 398742177 /nfs/dbraw/zinc/74/21/77/398742177.db2.gz IGFUXJKYNJUGIK-HUUCEWRRSA-N 1 0 318.377 2.733 20 5 DFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@@H]1[NH3+] ZINC000591298635 398745879 /nfs/dbraw/zinc/74/58/79/398745879.db2.gz GEGWCTMKUXBJHP-STQMWFEESA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591298678 398746140 /nfs/dbraw/zinc/74/61/40/398746140.db2.gz KKGYXMLCWGJSEB-UHFFFAOYSA-N 1 0 306.366 2.557 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000177196655 198685354 /nfs/dbraw/zinc/68/53/54/198685354.db2.gz WFPVOPHPEPBIOQ-SMDDNHRTSA-N 1 0 317.389 2.512 20 5 DFBDRO COc1ccccc1[C@H]([NH3+])CNc1cccc(OC)c1[N+](=O)[O-] ZINC000591424717 398758541 /nfs/dbraw/zinc/75/85/41/398758541.db2.gz UBCDDQWJOJLBEB-GFCCVEGCSA-N 1 0 317.345 2.724 20 5 DFBDRO CC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000591434723 398759955 /nfs/dbraw/zinc/75/99/55/398759955.db2.gz LNIVDWOYFRFDFV-UHFFFAOYSA-N 1 0 301.293 2.514 20 5 DFBDRO CCOc1cc(C[N@H+](C)CCOCC2CC2)ccc1[N+](=O)[O-] ZINC000276954755 213200448 /nfs/dbraw/zinc/20/04/48/213200448.db2.gz UTIFTAVIPNVQRA-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591439044 398760754 /nfs/dbraw/zinc/76/07/54/398760754.db2.gz REWDACAZWUVBHU-OCCSQVGLSA-N 1 0 312.373 2.640 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000591442237 398761745 /nfs/dbraw/zinc/76/17/45/398761745.db2.gz LJHJQGGXSXVHEL-NWDGAFQWSA-N 1 0 324.812 2.859 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080717897 192186389 /nfs/dbraw/zinc/18/63/89/192186389.db2.gz MJWWWXCBSZUPDY-AGUYFDCRSA-N 1 0 317.389 2.648 20 5 DFBDRO Cc1cc(NCC[N@@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000074742701 398763270 /nfs/dbraw/zinc/76/32/70/398763270.db2.gz ARWKNUZQDMHLQR-UHFFFAOYSA-N 1 0 300.362 2.842 20 5 DFBDRO Cc1cc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000074767099 398765779 /nfs/dbraw/zinc/76/57/79/398765779.db2.gz XQLZSZGIWGVPHX-AWEZNQCLSA-N 1 0 304.394 2.610 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000081330789 192251577 /nfs/dbraw/zinc/25/15/77/192251577.db2.gz WQLZSWJLWYKPCT-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CCc1ccc([C@H](NC[C@@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000591580663 398773798 /nfs/dbraw/zinc/77/37/98/398773798.db2.gz JDRPVBWSQMKWBT-BDJLRTHQSA-N 1 0 303.362 2.776 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000598265487 398780371 /nfs/dbraw/zinc/78/03/71/398780371.db2.gz TXVQFAWEDKUDBZ-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000598265552 398780478 /nfs/dbraw/zinc/78/04/78/398780478.db2.gz ULDWBBCJAVECIV-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000598265926 398780702 /nfs/dbraw/zinc/78/07/02/398780702.db2.gz WDDPGKBATXWMIW-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CCCC1(C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591753079 398784169 /nfs/dbraw/zinc/78/41/69/398784169.db2.gz YYKVPKSKGXBZFT-CYBMUJFWSA-N 1 0 308.378 2.504 20 5 DFBDRO CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000237036741 202131062 /nfs/dbraw/zinc/13/10/62/202131062.db2.gz IQIFFYLHORWHDP-TVQRCGJNSA-N 1 0 313.785 2.580 20 5 DFBDRO CC[NH2+]Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000237088806 202150289 /nfs/dbraw/zinc/15/02/89/202150289.db2.gz RMMSMBSGDPYFAG-UHFFFAOYSA-N 1 0 314.345 2.660 20 5 DFBDRO COCCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000237185138 202180211 /nfs/dbraw/zinc/18/02/11/202180211.db2.gz VKEDFQBKZXJBCN-UHFFFAOYSA-N 1 0 318.377 2.512 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000598341845 398796253 /nfs/dbraw/zinc/79/62/53/398796253.db2.gz HBADQPZIDJDRKM-GFCCVEGCSA-N 1 0 317.345 2.555 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000276368234 283224213 /nfs/dbraw/zinc/22/42/13/283224213.db2.gz MVGDEAOHQVSMHE-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO CCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902519 213164122 /nfs/dbraw/zinc/16/41/22/213164122.db2.gz MAGTUFKWVAETPQ-UKRRQHHQSA-N 1 0 321.421 2.908 20 5 DFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000178528144 198883263 /nfs/dbraw/zinc/88/32/63/198883263.db2.gz RUUUBIOGVJKNNH-ZDUSSCGKSA-N 1 0 306.362 2.758 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCn2ccnc21 ZINC000594496624 398810233 /nfs/dbraw/zinc/81/02/33/398810233.db2.gz PTAOHCUYMKSYKK-DOMZBBRYSA-N 1 0 312.373 2.946 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000594502780 398811350 /nfs/dbraw/zinc/81/13/50/398811350.db2.gz RPAQMIGLKSUNHW-CZUORRHYSA-N 1 0 324.384 2.846 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000075604564 398812437 /nfs/dbraw/zinc/81/24/37/398812437.db2.gz RGKKTKWECSYERT-BQYQJAHWSA-N 1 0 317.389 2.551 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000594517869 398814560 /nfs/dbraw/zinc/81/45/60/398814560.db2.gz FANWOBFXLSHEBD-LLVKDONJSA-N 1 0 324.377 2.671 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000075668997 398816228 /nfs/dbraw/zinc/81/62/28/398816228.db2.gz UMPYXWKBRCUKFS-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC000075717424 398819159 /nfs/dbraw/zinc/81/91/59/398819159.db2.gz WUELLABQVHDBRW-CYBMUJFWSA-N 1 0 317.389 2.743 20 5 DFBDRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075953764 398829897 /nfs/dbraw/zinc/82/98/97/398829897.db2.gz GHUVNLLVTANVSS-KBPBESRZSA-N 1 0 308.378 2.641 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1nc(C)no1 ZINC000594614747 398833997 /nfs/dbraw/zinc/83/39/97/398833997.db2.gz KAAGYUDLHAAUKN-YRNVUSSQSA-N 1 0 302.334 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000052405769 398839460 /nfs/dbraw/zinc/83/94/60/398839460.db2.gz KLZWZDITJQGCDY-UHFFFAOYSA-N 1 0 320.349 2.568 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CC3)CC2)c2ncccc12 ZINC000052472624 398841395 /nfs/dbraw/zinc/84/13/95/398841395.db2.gz SPGANUIOARPGOG-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2Br)CCC1 ZINC000598632641 398843885 /nfs/dbraw/zinc/84/38/85/398843885.db2.gz HDTMPZGCBBPKNS-UHFFFAOYSA-N 1 0 314.183 2.911 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594695269 398844188 /nfs/dbraw/zinc/84/41/88/398844188.db2.gz BGHCMWAAZMGXTF-ZDUSSCGKSA-N 1 0 307.369 2.950 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180259778 199137876 /nfs/dbraw/zinc/13/78/76/199137876.db2.gz YTFKRUSXWCAWEO-BBRMVZONSA-N 1 0 308.378 2.831 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000594714331 398847502 /nfs/dbraw/zinc/84/75/02/398847502.db2.gz MYGZKZXBSIGIBF-QGZVFWFLSA-N 1 0 323.437 2.506 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@H](C)[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000467735182 299274356 /nfs/dbraw/zinc/27/43/56/299274356.db2.gz WRUZUYOFZGJDJO-GFCCVEGCSA-N 1 0 323.393 2.914 20 5 DFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1csc([N+](=O)[O-])c1 ZINC000052666219 398848416 /nfs/dbraw/zinc/84/84/16/398848416.db2.gz JZJNBNDKPNMEFX-UHFFFAOYSA-N 1 0 305.359 2.970 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CC2(F)F)n1 ZINC000598679488 398854028 /nfs/dbraw/zinc/85/40/28/398854028.db2.gz HSANOELTMUZADU-SDDRHHMPSA-N 1 0 314.336 2.910 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180415491 199156459 /nfs/dbraw/zinc/15/64/59/199156459.db2.gz VQKLYENRHPPNBA-OWYJLGKBSA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000076691205 398865122 /nfs/dbraw/zinc/86/51/22/398865122.db2.gz NLPWIEDXIHRPAK-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153106617 283352921 /nfs/dbraw/zinc/35/29/21/283352921.db2.gz WDIOXSYSKHWMAG-GFCCVEGCSA-N 1 0 323.393 2.560 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594935912 398876356 /nfs/dbraw/zinc/87/63/56/398876356.db2.gz IDFWGOIHYFRNKA-OAHLLOKOSA-N 1 0 300.362 2.978 20 5 DFBDRO COc1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594957224 398881301 /nfs/dbraw/zinc/88/13/01/398881301.db2.gz QJPCUUPMSUWLPJ-ZDUSSCGKSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1O ZINC000594974821 398884905 /nfs/dbraw/zinc/88/49/05/398884905.db2.gz JXLGWGMWSXTJFB-MDZLAQPJSA-N 1 0 306.362 2.835 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594962027 398882302 /nfs/dbraw/zinc/88/23/02/398882302.db2.gz CWNPSRQDWATLIS-YPENRWOSSA-N 1 0 310.419 2.683 20 5 DFBDRO C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594963973 398883224 /nfs/dbraw/zinc/88/32/24/398883224.db2.gz YNLZUZOPTOMQHF-KDKPCJNHSA-N 1 0 314.382 2.513 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594985891 398887282 /nfs/dbraw/zinc/88/72/82/398887282.db2.gz CGHPWEXTDNUAGK-ALTKIIGISA-N 1 0 302.374 2.891 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c(F)c1 ZINC000594976761 398885899 /nfs/dbraw/zinc/88/58/99/398885899.db2.gz GSGULCBLTSTKQL-CYBMUJFWSA-N 1 0 320.295 2.966 20 5 DFBDRO C[C@@]1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000180952834 199232868 /nfs/dbraw/zinc/23/28/68/199232868.db2.gz XIMNDOOSAQVDLT-KRWDZBQOSA-N 1 0 319.405 2.566 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)c1 ZINC000594999125 398888747 /nfs/dbraw/zinc/88/87/47/398888747.db2.gz NECMCOCVRYRICV-GOSISDBHSA-N 1 0 311.385 2.959 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594995048 398888859 /nfs/dbraw/zinc/88/88/59/398888859.db2.gz YQXYIYNQPKBDAK-CYBMUJFWSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@H](O)C2)s1 ZINC000595001626 398889302 /nfs/dbraw/zinc/88/93/02/398889302.db2.gz YTDYXCCBCGFISC-XYPYZODXSA-N 1 0 304.371 2.936 20 5 DFBDRO CCC[N@H+](CC)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595014258 398891687 /nfs/dbraw/zinc/89/16/87/398891687.db2.gz VQMLVHPJUMOVRJ-CYBMUJFWSA-N 1 0 309.410 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000595018300 398892417 /nfs/dbraw/zinc/89/24/17/398892417.db2.gz MFVXSUOHNDYWTK-AVGNSLFASA-N 1 0 308.378 2.805 20 5 DFBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012134 398891846 /nfs/dbraw/zinc/89/18/46/398891846.db2.gz OJGVQMJUNOKQAU-QWHCGFSZSA-N 1 0 309.410 2.984 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C1CC1)[NH+](C)C ZINC000595016290 398892807 /nfs/dbraw/zinc/89/28/07/398892807.db2.gz KBWAVNMPQHGQPP-ABAIWWIYSA-N 1 0 307.394 2.594 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000598916269 398892869 /nfs/dbraw/zinc/89/28/69/398892869.db2.gz VNRDCKYLPBVMIP-AOOOYVTPSA-N 1 0 324.768 2.606 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000595021591 398893273 /nfs/dbraw/zinc/89/32/73/398893273.db2.gz PXOKMTKTQYCBJG-ZYHUDNBSSA-N 1 0 316.361 2.535 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000595033394 398895240 /nfs/dbraw/zinc/89/52/40/398895240.db2.gz PRKZEMILAQQDEN-ZOWXZIJZSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC1([NH+](C)C)CCC1 ZINC000595039862 398895776 /nfs/dbraw/zinc/89/57/76/398895776.db2.gz HALYLZJDMZGFQN-GFCCVEGCSA-N 1 0 307.394 2.738 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000054342370 398896356 /nfs/dbraw/zinc/89/63/56/398896356.db2.gz RAALFBTTZCPYNL-JKSUJKDBSA-N 1 0 306.362 2.617 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H](C)C[N@H+](C)C(C)C ZINC000595046537 398897119 /nfs/dbraw/zinc/89/71/19/398897119.db2.gz AIDWWIANQBSRRX-QWHCGFSZSA-N 1 0 309.410 2.983 20 5 DFBDRO COC1CC(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595047637 398897249 /nfs/dbraw/zinc/89/72/49/398897249.db2.gz DKOWOJYSBKDIAH-PFSRBDOWSA-N 1 0 322.409 2.680 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000595050015 398898345 /nfs/dbraw/zinc/89/83/45/398898345.db2.gz LJQMABLAXHOIIJ-NILFDRSVSA-N 1 0 308.378 2.948 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595063226 398900246 /nfs/dbraw/zinc/90/02/46/398900246.db2.gz WGEQGOOWQAKYMU-LOIKJUDNSA-N 1 0 322.430 2.861 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000595064153 398900600 /nfs/dbraw/zinc/90/06/00/398900600.db2.gz DRMLJZNASWTFOT-DYVFJYSZSA-N 1 0 322.405 2.995 20 5 DFBDRO O=C(C[NH2+]C1(c2ccccc2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000077378653 398901690 /nfs/dbraw/zinc/90/16/90/398901690.db2.gz NPQCCPUZRKIOBY-UHFFFAOYSA-N 1 0 311.341 2.812 20 5 DFBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000595069175 398902178 /nfs/dbraw/zinc/90/21/78/398902178.db2.gz NOVJYSYTKHBFNL-XJKSGUPXSA-N 1 0 322.405 2.995 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)CC1CC1)CCC2 ZINC000595092817 398903932 /nfs/dbraw/zinc/90/39/32/398903932.db2.gz XEXVHBKGDDTCIO-CXAGYDPISA-N 1 0 304.390 2.970 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280987298 216005298 /nfs/dbraw/zinc/00/52/98/216005298.db2.gz JLIRYGIPZNRUAC-LAJNKCICSA-N 1 0 310.419 2.855 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000470179546 299292971 /nfs/dbraw/zinc/29/29/71/299292971.db2.gz YXDJBCAEEOYJLW-LOSYYMKXSA-N 1 0 301.390 2.682 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000470184115 299293018 /nfs/dbraw/zinc/29/30/18/299293018.db2.gz FUWPIMHYQRXKOF-CTXBLAANSA-N 1 0 317.389 2.728 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000599008288 398906982 /nfs/dbraw/zinc/90/69/82/398906982.db2.gz RAFUFZQCPCLNRG-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595233864 398911806 /nfs/dbraw/zinc/91/18/06/398911806.db2.gz WTESZYOMKYPIDM-UHFFFAOYSA-N 1 0 306.366 2.605 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000595258681 398913557 /nfs/dbraw/zinc/91/35/57/398913557.db2.gz QQNQHIBGSYGCOY-UKRRQHHQSA-N 1 0 319.405 2.883 20 5 DFBDRO CCC[C@@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187699694 200146720 /nfs/dbraw/zinc/14/67/20/200146720.db2.gz BFVBIYUBQBKWCN-CYBMUJFWSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000147642783 398913377 /nfs/dbraw/zinc/91/33/77/398913377.db2.gz UHTNSNCQAAEIGK-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599067183 398916244 /nfs/dbraw/zinc/91/62/44/398916244.db2.gz CYNZHHMFHQGYCQ-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187830583 200163020 /nfs/dbraw/zinc/16/30/20/200163020.db2.gz FSVBKJUCJUXUOX-BYVOGVQKSA-N 1 0 312.435 2.615 20 5 DFBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000599059407 398914615 /nfs/dbraw/zinc/91/46/15/398914615.db2.gz ALGWIFXISYVFKQ-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC=CC1 ZINC000599064157 398915511 /nfs/dbraw/zinc/91/55/11/398915511.db2.gz KNLZLHKFFCZYQJ-LBPRGKRZSA-N 1 0 303.362 2.868 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC=CC1 ZINC000599064155 398915524 /nfs/dbraw/zinc/91/55/24/398915524.db2.gz KNLZLHKFFCZYQJ-GFCCVEGCSA-N 1 0 303.362 2.868 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c1 ZINC000595291409 398917059 /nfs/dbraw/zinc/91/70/59/398917059.db2.gz SMMSYGCMADFCPY-QDMKHBRRSA-N 1 0 301.390 2.763 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066554 398916397 /nfs/dbraw/zinc/91/63/97/398916397.db2.gz SYGILNVHPFSGHD-ARFHVFGLSA-N 1 0 308.378 2.566 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000237568620 202287242 /nfs/dbraw/zinc/28/72/42/202287242.db2.gz SYJZDPYMLMVEBR-OAHLLOKOSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000077656660 398916774 /nfs/dbraw/zinc/91/67/74/398916774.db2.gz NDSQSDQAUZBQSD-SNVBAGLBSA-N 1 0 309.395 2.590 20 5 DFBDRO O=c1[nH]cccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599084221 398918776 /nfs/dbraw/zinc/91/87/76/398918776.db2.gz PZMZHFCFYPYVCK-OAHLLOKOSA-N 1 0 313.357 2.806 20 5 DFBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191351097 283491479 /nfs/dbraw/zinc/49/14/79/283491479.db2.gz LPYHDXHFNNFTFD-GOEBONIOSA-N 1 0 321.421 2.951 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599125688 398925343 /nfs/dbraw/zinc/92/53/43/398925343.db2.gz AHASCIBFGBDQAK-CQSZACIVSA-N 1 0 321.425 2.939 20 5 DFBDRO Cc1c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055400903 398929012 /nfs/dbraw/zinc/92/90/12/398929012.db2.gz SHGFGWNYAPBEDQ-QWHCGFSZSA-N 1 0 319.405 2.753 20 5 DFBDRO COCC[C@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306775 296008526 /nfs/dbraw/zinc/00/85/26/296008526.db2.gz GMMLFTBWUCSXBS-IRXDYDNUSA-N 1 0 322.405 2.739 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1CC[NH+](C)CC1 ZINC000287771359 219722315 /nfs/dbraw/zinc/72/23/15/219722315.db2.gz HWDGKBUVNAOCQB-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797345 299305384 /nfs/dbraw/zinc/30/53/84/299305384.db2.gz HZFYHDZHATWBKP-BXUZGUMPSA-N 1 0 302.330 2.810 20 5 DFBDRO CC(C)C(=O)NCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332373 296011159 /nfs/dbraw/zinc/01/11/59/296011159.db2.gz XEESUSYYPVLOPW-MRXNPFEDSA-N 1 0 319.405 2.724 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000471806540 299306395 /nfs/dbraw/zinc/30/63/95/299306395.db2.gz ZCOBAMNHROITIO-CYBMUJFWSA-N 1 0 319.405 2.761 20 5 DFBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152700253 398933107 /nfs/dbraw/zinc/93/31/07/398933107.db2.gz ARXPNQLSPWPMPJ-BETUJISGSA-N 1 0 306.362 2.714 20 5 DFBDRO CC(=O)c1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000595413383 398934471 /nfs/dbraw/zinc/93/44/71/398934471.db2.gz AAQFYKMLTGIFON-SNVBAGLBSA-N 1 0 316.361 2.722 20 5 DFBDRO CCc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000471822283 299307734 /nfs/dbraw/zinc/30/77/34/299307734.db2.gz MWJPNIUZUAXYRO-UHFFFAOYSA-N 1 0 319.405 2.619 20 5 DFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H](C)[NH2+]1 ZINC000599179866 398935077 /nfs/dbraw/zinc/93/50/77/398935077.db2.gz KGSUAPHMHKZJCK-NWDGAFQWSA-N 1 0 300.362 2.720 20 5 DFBDRO C[C@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000417357987 296013438 /nfs/dbraw/zinc/01/34/38/296013438.db2.gz HIBLPWGJACXATL-NVXWUHKLSA-N 1 0 317.389 2.621 20 5 DFBDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000189807340 200454392 /nfs/dbraw/zinc/45/43/92/200454392.db2.gz HEISLVCMJGBALR-JSGCOSHPSA-N 1 0 323.393 2.573 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC12CC2 ZINC000417367579 296014092 /nfs/dbraw/zinc/01/40/92/296014092.db2.gz PWZSBLNWUKRUNC-NEPJUHHUSA-N 1 0 303.362 2.702 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000417398639 296017026 /nfs/dbraw/zinc/01/70/26/296017026.db2.gz HPUCZGSFCKZJDI-MKVSYHDVSA-N 1 0 304.390 2.809 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000417401975 296017209 /nfs/dbraw/zinc/01/72/09/296017209.db2.gz MAPSNSPYSSVJQG-JMSVASOKSA-N 1 0 310.419 2.969 20 5 DFBDRO CCO[C@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CC1 ZINC000599260422 398944033 /nfs/dbraw/zinc/94/40/33/398944033.db2.gz DRUJAJFQVDMQMC-QGZVFWFLSA-N 1 0 319.405 2.532 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506726 398953349 /nfs/dbraw/zinc/95/33/49/398953349.db2.gz GZPVCETUQXJNRM-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO COc1cncc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000599335352 398955529 /nfs/dbraw/zinc/95/55/29/398955529.db2.gz SVYLBJUOGVUTGY-UHFFFAOYSA-N 1 0 314.345 2.558 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000604561602 398958776 /nfs/dbraw/zinc/95/87/76/398958776.db2.gz MBFYYRUGCWAVEN-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CCOCC3)CC2)cc1 ZINC000292492884 223119396 /nfs/dbraw/zinc/11/93/96/223119396.db2.gz BMWBKTHNRQVINT-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO COCC[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292559683 223146979 /nfs/dbraw/zinc/14/69/79/223146979.db2.gz SDRBJVXUMWKVFR-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000078563202 398967747 /nfs/dbraw/zinc/96/77/47/398967747.db2.gz ZHOSTIXJOJERFD-AWEZNQCLSA-N 1 0 319.405 2.966 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000271882265 209291834 /nfs/dbraw/zinc/29/18/34/209291834.db2.gz PUAOXHKETMFLMA-NUEKZKHPSA-N 1 0 318.373 2.651 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000193501002 201064819 /nfs/dbraw/zinc/06/48/19/201064819.db2.gz FXFFUHZHFRBLPP-GXSJLCMTSA-N 1 0 312.753 2.680 20 5 DFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCOC1 ZINC000056494883 398974996 /nfs/dbraw/zinc/97/49/96/398974996.db2.gz UTYKNXGBAVEVOB-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000595566164 398974807 /nfs/dbraw/zinc/97/48/07/398974807.db2.gz LWTAXSIGJRVBDM-OBJOEFQTSA-N 1 0 303.362 2.796 20 5 DFBDRO CSCC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587602 297309441 /nfs/dbraw/zinc/30/94/41/297309441.db2.gz QWYNIXHWVSICCA-SWLSCSKDSA-N 1 0 310.419 2.676 20 5 DFBDRO CSc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000194932900 201313349 /nfs/dbraw/zinc/31/33/49/201313349.db2.gz HLKLQGPWUNJIRK-LLVKDONJSA-N 1 0 306.391 2.864 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)(C)C)cc1[N+](=O)[O-] ZINC000271838368 209258746 /nfs/dbraw/zinc/25/87/46/209258746.db2.gz YUISMQPCEBXOAJ-JSGCOSHPSA-N 1 0 310.394 2.730 20 5 DFBDRO CC[C@@H](NC(=O)N[C@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417848781 296057869 /nfs/dbraw/zinc/05/78/69/296057869.db2.gz KVUWKTSTWLGUDH-IUODEOHRSA-N 1 0 322.409 2.863 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417855723 296058230 /nfs/dbraw/zinc/05/82/30/296058230.db2.gz RLWMLMNJOFDVJD-LBPRGKRZSA-N 1 0 322.409 2.781 20 5 DFBDRO COC[C@]1(C)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217279 399010398 /nfs/dbraw/zinc/01/03/98/399010398.db2.gz HAXWBNCUKNNVTL-ZGUWOUCSSA-N 1 0 320.389 2.735 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000248552300 202745498 /nfs/dbraw/zinc/74/54/98/202745498.db2.gz JBYLHGRQZSHWNC-DVOMOZLQSA-N 1 0 319.405 2.972 20 5 DFBDRO COc1cc(NCC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1OC ZINC000275423493 212324460 /nfs/dbraw/zinc/32/44/60/212324460.db2.gz HXNGZDMUFZWVGS-UHFFFAOYSA-N 1 0 309.366 2.508 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000618152123 399021400 /nfs/dbraw/zinc/02/14/00/399021400.db2.gz LFLVDKBWTDWQBF-GFCCVEGCSA-N 1 0 304.394 2.530 20 5 DFBDRO C[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000292998811 223345946 /nfs/dbraw/zinc/34/59/46/223345946.db2.gz NOJNELVAQATSJG-SNVBAGLBSA-N 1 0 310.304 2.907 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599606920 399028605 /nfs/dbraw/zinc/02/86/05/399028605.db2.gz QUHZFZCCWHXNOK-OAHLLOKOSA-N 1 0 320.393 2.673 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000254956489 283837063 /nfs/dbraw/zinc/83/70/63/283837063.db2.gz SBXLARHVHMBVRI-QXMHVHEDSA-N 1 0 319.405 2.846 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678649 399030856 /nfs/dbraw/zinc/03/08/56/399030856.db2.gz SEBVXQMXZMAMKS-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677637 399030486 /nfs/dbraw/zinc/03/04/86/399030486.db2.gz PPHDDYUVQLHTHU-DZGCQCFKSA-N 1 0 322.405 2.976 20 5 DFBDRO COc1cc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1F ZINC000599625737 399034046 /nfs/dbraw/zinc/03/40/46/399034046.db2.gz NPPUXTZNTNMLBL-WSHGPQCASA-N 1 0 312.341 2.644 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]2CCC[C@H]21 ZINC000599656172 399048523 /nfs/dbraw/zinc/04/85/23/399048523.db2.gz ZZGYDZOFNVKHEA-ARFHVFGLSA-N 1 0 318.373 2.758 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595748638 399068475 /nfs/dbraw/zinc/06/84/75/399068475.db2.gz BQHITEVLNISHIR-KRWDZBQOSA-N 1 0 320.389 2.730 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000271768089 209198790 /nfs/dbraw/zinc/19/87/90/209198790.db2.gz DOSFMHNNXDOHIE-HNNXBMFYSA-N 1 0 300.362 2.612 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595756767 399071757 /nfs/dbraw/zinc/07/17/57/399071757.db2.gz WPTHSMPRSRPVJQ-OLZOCXBDSA-N 1 0 323.368 2.993 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000595764900 399075206 /nfs/dbraw/zinc/07/52/06/399075206.db2.gz GQVUWEOURRKKSF-NSHDSACASA-N 1 0 311.769 2.965 20 5 DFBDRO CC[C@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000595765611 399075892 /nfs/dbraw/zinc/07/58/92/399075892.db2.gz MFLHRODDSOHFDY-ZDUSSCGKSA-N 1 0 302.334 2.923 20 5 DFBDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595766278 399076161 /nfs/dbraw/zinc/07/61/61/399076161.db2.gz NUSDDROMQTXVKC-XHDPSFHLSA-N 1 0 317.345 2.595 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccccc2F)CC2CC2)c1 ZINC000595766310 399076921 /nfs/dbraw/zinc/07/69/21/399076921.db2.gz DHHHGNZCFGXSBM-UHFFFAOYSA-N 1 0 318.352 2.843 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000330518441 284055130 /nfs/dbraw/zinc/05/51/30/284055130.db2.gz YBSYRVLCANGOHE-XJKSGUPXSA-N 1 0 321.421 2.764 20 5 DFBDRO CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225093 296128940 /nfs/dbraw/zinc/12/89/40/296128940.db2.gz OQIVYBVDJQSBFT-UKRRQHHQSA-N 1 0 322.409 2.537 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826971 399101194 /nfs/dbraw/zinc/10/11/94/399101194.db2.gz BNPRAPDDWDWBJC-UKRRQHHQSA-N 1 0 320.389 2.850 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830179 399102744 /nfs/dbraw/zinc/10/27/44/399102744.db2.gz CZCSEPNFIFDGAD-KGLIPLIRSA-N 1 0 317.389 2.600 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(CC(C)C)CC1 ZINC000595832196 399104315 /nfs/dbraw/zinc/10/43/15/399104315.db2.gz SOTWSUXYYCTPHJ-UHFFFAOYSA-N 1 0 321.377 2.710 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ccon2)CC1 ZINC000595838851 399108179 /nfs/dbraw/zinc/10/81/79/399108179.db2.gz XGEYFMCZDFWNTH-UHFFFAOYSA-N 1 0 317.345 2.841 20 5 DFBDRO Cc1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1[N+](=O)[O-] ZINC000262022001 203175705 /nfs/dbraw/zinc/17/57/05/203175705.db2.gz YDZTUPIAVJEMIT-ZAQWFSBCSA-N 1 0 317.389 2.995 20 5 DFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000419370470 296137164 /nfs/dbraw/zinc/13/71/64/296137164.db2.gz JPLFIUTYXQQIOR-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+]C12CCC2 ZINC000600678636 399115828 /nfs/dbraw/zinc/11/58/28/399115828.db2.gz NRJWFIXATPVVRM-XJKSGUPXSA-N 1 0 303.406 2.790 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600681897 399116916 /nfs/dbraw/zinc/11/69/16/399116916.db2.gz KNPJCGMPAGWESC-XHDPSFHLSA-N 1 0 301.346 2.695 20 5 DFBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595867730 399118124 /nfs/dbraw/zinc/11/81/24/399118124.db2.gz PLCPYAQXAGWNLK-RRFJBIMHSA-N 1 0 322.405 2.988 20 5 DFBDRO CCc1ccc(C(=O)N(CC)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000599985602 399119507 /nfs/dbraw/zinc/11/95/07/399119507.db2.gz HLQWURJXUDAVNV-UHFFFAOYSA-N 1 0 319.405 2.714 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712348 399120756 /nfs/dbraw/zinc/12/07/56/399120756.db2.gz XEWQINSVOLABHZ-MLGOLLRUSA-N 1 0 319.405 2.929 20 5 DFBDRO COc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093443208 193253279 /nfs/dbraw/zinc/25/32/79/193253279.db2.gz CTGGQQRPRNZLJP-VXGBXAGGSA-N 1 0 306.362 2.844 20 5 DFBDRO CCc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534424 193266816 /nfs/dbraw/zinc/26/68/16/193266816.db2.gz NJLBMLFCMFSJBL-GFCCVEGCSA-N 1 0 316.361 2.832 20 5 DFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000060394749 399127654 /nfs/dbraw/zinc/12/76/54/399127654.db2.gz ISABKEIAPYLNDL-UHFFFAOYSA-N 1 0 319.405 2.787 20 5 DFBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080244022 399130117 /nfs/dbraw/zinc/13/01/17/399130117.db2.gz TYQUDYYNDNUFOO-MRXNPFEDSA-N 1 0 300.358 2.942 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906613 399130586 /nfs/dbraw/zinc/13/05/86/399130586.db2.gz MBUBPCZSMPXRIH-GJZGRUSLSA-N 1 0 321.421 2.698 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@@H]1CC1(C)C ZINC000595910882 399131891 /nfs/dbraw/zinc/13/18/91/399131891.db2.gz CVBYFDLSDBTCHE-ZDUSSCGKSA-N 1 0 306.362 2.939 20 5 DFBDRO [NH3+]C1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000420116198 296158751 /nfs/dbraw/zinc/15/87/51/296158751.db2.gz KXSDTUZRNGHBIB-UHFFFAOYSA-N 1 0 304.375 2.646 20 5 DFBDRO Cc1cc(N(C)C2CC[NH2+]CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000420143492 296159510 /nfs/dbraw/zinc/15/95/10/296159510.db2.gz XYEMURMWFCWOLD-UHFFFAOYSA-N 1 0 300.362 2.640 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000420156385 296159880 /nfs/dbraw/zinc/15/98/80/296159880.db2.gz MXEVTPAFHCWWKQ-GFCCVEGCSA-N 1 0 300.362 2.640 20 5 DFBDRO O=C(c1c(Cl)cccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000136863585 296159969 /nfs/dbraw/zinc/15/99/69/296159969.db2.gz ASCKJWRQIQRCRL-LLVKDONJSA-N 1 0 323.780 2.559 20 5 DFBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000420165453 296160099 /nfs/dbraw/zinc/16/00/99/296160099.db2.gz NDLABFZMDJQCCS-UHFFFAOYSA-N 1 0 301.293 2.878 20 5 DFBDRO C[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]1C[NH3+] ZINC000420191541 296161530 /nfs/dbraw/zinc/16/15/30/296161530.db2.gz RRVVYMUYEILEGU-IAQYHMDHSA-N 1 0 300.362 2.707 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420185466 296161027 /nfs/dbraw/zinc/16/10/27/296161027.db2.gz JPJUTNVEZICQEC-CYBMUJFWSA-N 1 0 312.373 2.703 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420186075 296161232 /nfs/dbraw/zinc/16/12/32/296161232.db2.gz KUDIFUJAOZAJNG-NSHDSACASA-N 1 0 318.402 2.764 20 5 DFBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420213819 296162601 /nfs/dbraw/zinc/16/26/01/296162601.db2.gz IDPRKQZORBUBKH-STQMWFEESA-N 1 0 312.373 2.830 20 5 DFBDRO CCOC(=O)c1cc(N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000420211075 296162645 /nfs/dbraw/zinc/16/26/45/296162645.db2.gz VPOLSJINMPHYQO-AWEZNQCLSA-N 1 0 323.393 2.581 20 5 DFBDRO CC(C)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000420214093 296162710 /nfs/dbraw/zinc/16/27/10/296162710.db2.gz JSQQVDKCJBHANS-CQSZACIVSA-N 1 0 301.350 2.620 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420215121 296162866 /nfs/dbraw/zinc/16/28/66/296162866.db2.gz RVNKNKYZMIVUML-SNVBAGLBSA-N 1 0 303.366 2.751 20 5 DFBDRO Cc1cc(N2CC[C@@H]([C@H](C)[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420227040 296163767 /nfs/dbraw/zinc/16/37/67/296163767.db2.gz BJTADVZSAMAERG-NWDGAFQWSA-N 1 0 300.362 2.625 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000420235128 296164398 /nfs/dbraw/zinc/16/43/98/296164398.db2.gz OHAWRBGERBYSCL-AWEZNQCLSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420246887 296165414 /nfs/dbraw/zinc/16/54/14/296165414.db2.gz NPLJCUHBDCWNTI-WCBMZHEXSA-N 1 0 301.293 2.749 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420250484 296165561 /nfs/dbraw/zinc/16/55/61/296165561.db2.gz ZTORPZBPVVJSMQ-GFCCVEGCSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@@H]3C2)nc1-c1ccccc1 ZINC000420253732 296166124 /nfs/dbraw/zinc/16/61/24/296166124.db2.gz BSBVMVYCZWVHCP-CABCVRRESA-N 1 0 324.384 2.845 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1-c1ccc(N2CC[NH2+]CC2)cc1 ZINC000600788143 399146689 /nfs/dbraw/zinc/14/66/89/399146689.db2.gz CFLBVZPITLRHEE-UHFFFAOYSA-N 1 0 301.321 2.811 20 5 DFBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000341228734 284252916 /nfs/dbraw/zinc/25/29/16/284252916.db2.gz KYQGXYNQDXSHSF-UHFFFAOYSA-N 1 0 321.421 2.574 20 5 DFBDRO C[NH2+]CCc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794921 399150720 /nfs/dbraw/zinc/15/07/20/399150720.db2.gz UWPQFOOFENURAN-UHFFFAOYSA-N 1 0 300.358 2.559 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420260868 296166880 /nfs/dbraw/zinc/16/68/80/296166880.db2.gz OMIRHOXJBDBBLP-AWEZNQCLSA-N 1 0 317.389 2.623 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NCC12CC(C1)C[NH2+]2 ZINC000596026152 399151145 /nfs/dbraw/zinc/15/11/45/399151145.db2.gz CSFAQGMUMPBLIA-UHFFFAOYSA-N 1 0 312.167 2.521 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264645953 204051029 /nfs/dbraw/zinc/05/10/29/204051029.db2.gz AHAPXVRLYINDAF-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000264794007 204160318 /nfs/dbraw/zinc/16/03/18/204160318.db2.gz SLKBJWNKPNIJOQ-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO COC(=O)c1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)cc(C)c1[N+](=O)[O-] ZINC000420277096 296168450 /nfs/dbraw/zinc/16/84/50/296168450.db2.gz IEBGWLMMUMVTKD-NEPJUHHUSA-N 1 0 321.377 2.619 20 5 DFBDRO CCOC(=O)c1cc(NCCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000420275534 296168478 /nfs/dbraw/zinc/16/84/78/296168478.db2.gz OCYBAHHYFFQQKC-GFCCVEGCSA-N 1 0 321.377 2.716 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264849886 204207603 /nfs/dbraw/zinc/20/76/03/204207603.db2.gz BUSKDZFFUFAMLV-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(NC[C@H]2CCNCC2(F)F)c(F)c1 ZINC000420283922 296169130 /nfs/dbraw/zinc/16/91/30/296169130.db2.gz OKOKWLBLOHGECI-SSDOTTSWSA-N 1 0 307.247 2.530 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000341502288 284263848 /nfs/dbraw/zinc/26/38/48/284263848.db2.gz FIOAMNQAOCGBPY-CYBMUJFWSA-N 1 0 319.405 2.819 20 5 DFBDRO O=c1[nH]ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596054633 399156281 /nfs/dbraw/zinc/15/62/81/399156281.db2.gz NILJLUSMLXBNJO-LBPRGKRZSA-N 1 0 318.333 2.537 20 5 DFBDRO Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])s1 ZINC000596059052 399158681 /nfs/dbraw/zinc/15/86/81/399158681.db2.gz MFQSGKMPBCKDPJ-LBPRGKRZSA-N 1 0 313.423 2.733 20 5 DFBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c([N+](=O)[O-])s1 ZINC000596060039 399158955 /nfs/dbraw/zinc/15/89/55/399158955.db2.gz AAHGETVYKOLYBF-UHFFFAOYSA-N 1 0 304.375 2.686 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420292494 296170250 /nfs/dbraw/zinc/17/02/50/296170250.db2.gz WPNAWDCNKRJALZ-NEPJUHHUSA-N 1 0 321.377 2.619 20 5 DFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000264959039 204302836 /nfs/dbraw/zinc/30/28/36/204302836.db2.gz ZJALYLGXAXLCSA-JTQLQIEISA-N 1 0 321.402 2.880 20 5 DFBDRO C[N@H+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])C1CCCCC1 ZINC000596071593 399163263 /nfs/dbraw/zinc/16/32/63/399163263.db2.gz SJVKWGNLJWUCPU-UHFFFAOYSA-N 1 0 308.382 2.762 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000288209497 220019197 /nfs/dbraw/zinc/01/91/97/220019197.db2.gz CZWALYXYQJBZTJ-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000080644670 399165975 /nfs/dbraw/zinc/16/59/75/399165975.db2.gz FLGXVPWTSZIXPV-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000080648475 399166029 /nfs/dbraw/zinc/16/60/29/399166029.db2.gz RHMWNXHUHIZKQE-RRFJBIMHSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1cc(F)c(NC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000282513491 217053559 /nfs/dbraw/zinc/05/35/59/217053559.db2.gz SZVAQTUAZYNGLX-UHFFFAOYSA-N 1 0 321.352 2.855 20 5 DFBDRO C[C@@H](CCNc1c([N+](=O)[O-])ncn1C)[N@H+](C)Cc1ccccc1 ZINC000080694262 399170672 /nfs/dbraw/zinc/17/06/72/399170672.db2.gz QWDIJDKXIFOFOF-ZDUSSCGKSA-N 1 0 317.393 2.651 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596094808 399170739 /nfs/dbraw/zinc/17/07/39/399170739.db2.gz MISZOLIGZBSFNO-NSHDSACASA-N 1 0 312.801 2.597 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596093743 399171128 /nfs/dbraw/zinc/17/11/28/399171128.db2.gz FXCOTKBDTBAEMD-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596096717 399171652 /nfs/dbraw/zinc/17/16/52/399171652.db2.gz YFCCRCJNSOVHLZ-LLVKDONJSA-N 1 0 300.330 2.630 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632815 223628684 /nfs/dbraw/zinc/62/86/84/223628684.db2.gz HRSNRMMBZNRMRS-IAQYHMDHSA-N 1 0 318.377 2.724 20 5 DFBDRO O=C1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282669632 217165484 /nfs/dbraw/zinc/16/54/84/217165484.db2.gz CDQKCUVUUUPYCJ-CYBMUJFWSA-N 1 0 323.780 2.539 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CCC[N@H+](C)C1 ZINC000266000036 205014580 /nfs/dbraw/zinc/01/45/80/205014580.db2.gz KLLMZYMZBDURDT-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1CC ZINC000614236489 399185362 /nfs/dbraw/zinc/18/53/62/399185362.db2.gz WCWDSGNCCKDTCB-MRXNPFEDSA-N 1 0 321.421 2.780 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600951748 399185790 /nfs/dbraw/zinc/18/57/90/399185790.db2.gz MTUFMBJIVDDGDU-SCZZXKLOSA-N 1 0 321.274 2.697 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000266069155 205073572 /nfs/dbraw/zinc/07/35/72/205073572.db2.gz LPMMHPKCPGWVLJ-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266170486 205156367 /nfs/dbraw/zinc/15/63/67/205156367.db2.gz RCHYACOPAGWZCK-GJZGRUSLSA-N 1 0 322.361 2.509 20 5 DFBDRO COc1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266142099 205132325 /nfs/dbraw/zinc/13/23/25/205132325.db2.gz RAVRJWNISAUKNC-BETUJISGSA-N 1 0 323.393 2.515 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000596157146 399196002 /nfs/dbraw/zinc/19/60/02/399196002.db2.gz OUKZNZUIHYQXKC-ZANVPECISA-N 1 0 317.311 3.000 20 5 DFBDRO CC(C)[NH+](CCCNc1c(C(N)=O)cccc1[N+](=O)[O-])C(C)C ZINC000420603327 296191804 /nfs/dbraw/zinc/19/18/04/296191804.db2.gz PWQFSZKNOZRMOP-UHFFFAOYSA-N 1 0 322.409 2.615 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420636578 296194717 /nfs/dbraw/zinc/19/47/17/296194717.db2.gz NTADKPNQLDPBBQ-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000016518965 182048507 /nfs/dbraw/zinc/04/85/07/182048507.db2.gz NVUMJLRGONVXSQ-WDEREUQCSA-N 1 0 309.366 2.565 20 5 DFBDRO NC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000283009986 217385392 /nfs/dbraw/zinc/38/53/92/217385392.db2.gz GGXSPTGFLMIATC-AWEZNQCLSA-N 1 0 323.368 2.648 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000601100097 399226663 /nfs/dbraw/zinc/22/66/63/399226663.db2.gz KZIAPUKRPCTDMP-LLVKDONJSA-N 1 0 310.354 2.905 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000601103563 399227438 /nfs/dbraw/zinc/22/74/38/399227438.db2.gz DSKKEILNAYQUMT-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601105071 399228053 /nfs/dbraw/zinc/22/80/53/399228053.db2.gz SVYXFQLZISYMMH-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO COc1cncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1C ZINC000601105507 399229149 /nfs/dbraw/zinc/22/91/49/399229149.db2.gz IPRRUXGMDBXTJT-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO COc1cncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1C ZINC000601114440 399232005 /nfs/dbraw/zinc/23/20/05/399232005.db2.gz QBJPUWQCLKBSJT-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO COCCc1ncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000601114400 399230991 /nfs/dbraw/zinc/23/09/91/399230991.db2.gz OPSUTRXLGQYXHK-UHFFFAOYSA-N 1 0 321.402 2.573 20 5 DFBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601152477 399242307 /nfs/dbraw/zinc/24/23/07/399242307.db2.gz DVGVQSWQLLMMMQ-QGZVFWFLSA-N 1 0 318.348 2.817 20 5 DFBDRO Cc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149538 399241893 /nfs/dbraw/zinc/24/18/93/399241893.db2.gz NUXQLFSINCTURC-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601170957 399247070 /nfs/dbraw/zinc/24/70/70/399247070.db2.gz XGMLZDDLVRMNDI-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000421030442 296228743 /nfs/dbraw/zinc/22/87/43/296228743.db2.gz DRRAGSPCIYQZES-UHFFFAOYSA-N 1 0 306.366 2.589 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000601216330 399256618 /nfs/dbraw/zinc/25/66/18/399256618.db2.gz POVDQMZWPHKUNH-UHFFFAOYSA-N 1 0 320.393 2.540 20 5 DFBDRO Cc1ccnc(Nc2cnn(C3CC[NH+](C)CC3)c2)c1[N+](=O)[O-] ZINC000601225342 399258539 /nfs/dbraw/zinc/25/85/39/399258539.db2.gz GCVAFFLUGKKAKW-UHFFFAOYSA-N 1 0 316.365 2.505 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000601229665 399259767 /nfs/dbraw/zinc/25/97/67/399259767.db2.gz XCWNPEIUSDXVLG-UHFFFAOYSA-N 1 0 318.421 2.873 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000601289873 399271181 /nfs/dbraw/zinc/27/11/81/399271181.db2.gz VMRKXBQPMBXFHE-LSDHHAIUSA-N 1 0 319.405 2.676 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CC[C@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000601298229 399272873 /nfs/dbraw/zinc/27/28/73/399272873.db2.gz FJRRFKJFUDXTMD-STQMWFEESA-N 1 0 314.332 2.923 20 5 DFBDRO COC1([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404702 296252824 /nfs/dbraw/zinc/25/28/24/296252824.db2.gz PYJKKAZPDTVIIT-KBPBESRZSA-N 1 0 322.405 2.700 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601390529 399285397 /nfs/dbraw/zinc/28/53/97/399285397.db2.gz GNKZMCBWSBTEPF-LLVKDONJSA-N 1 0 323.368 2.536 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421475779 296258569 /nfs/dbraw/zinc/25/85/69/296258569.db2.gz MXJKZLBGDZFTER-UHFFFAOYSA-N 1 0 307.394 2.625 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000421479032 296258848 /nfs/dbraw/zinc/25/88/48/296258848.db2.gz FUMRMAVESWYXDJ-ZIAGYGMSSA-N 1 0 319.405 2.814 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000421560311 296265759 /nfs/dbraw/zinc/26/57/59/296265759.db2.gz VPELOWZMDGVRTG-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1c(C[N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000619186435 399309657 /nfs/dbraw/zinc/30/96/57/399309657.db2.gz OWRNEKYYZFPVDO-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO CCCNC(=O)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000042686550 183296426 /nfs/dbraw/zinc/29/64/26/183296426.db2.gz KDGAXLXRPGSTKK-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO COc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000051953323 425883599 /nfs/dbraw/zinc/88/35/99/425883599.db2.gz OQNXOMJHDGBSNC-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000421777372 296274781 /nfs/dbraw/zinc/27/47/81/296274781.db2.gz YYUWXYSHICIXRQ-CYBMUJFWSA-N 1 0 321.421 2.918 20 5 DFBDRO CON1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000421875583 296278292 /nfs/dbraw/zinc/27/82/92/296278292.db2.gz KCMQFUUAXJGGER-INIZCTEOSA-N 1 0 319.405 2.531 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000601791956 399337797 /nfs/dbraw/zinc/33/77/97/399337797.db2.gz SAFFCKCSUHRDEN-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104673750 194023474 /nfs/dbraw/zinc/02/34/74/194023474.db2.gz WNVGGQTZTKVRCA-UHFFFAOYSA-N 1 0 310.394 2.976 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000104687426 194025994 /nfs/dbraw/zinc/02/59/94/194025994.db2.gz JLQSZWOFSYPZNJ-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2cc(C)nn2C)cc1[N+](=O)[O-] ZINC000284513589 218059722 /nfs/dbraw/zinc/05/97/22/218059722.db2.gz WGQWHUDUOJKMEN-LBPRGKRZSA-N 1 0 318.377 2.886 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C)nn2C)cc1[N+](=O)[O-] ZINC000284513587 218060159 /nfs/dbraw/zinc/06/01/59/218060159.db2.gz WGQWHUDUOJKMEN-GFCCVEGCSA-N 1 0 318.377 2.886 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000610273779 399352227 /nfs/dbraw/zinc/35/22/27/399352227.db2.gz IRSBSUCGZJUVLD-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000610337554 399357549 /nfs/dbraw/zinc/35/75/49/399357549.db2.gz INSNOMRQKUOSDS-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000105293834 194094879 /nfs/dbraw/zinc/09/48/79/194094879.db2.gz DKKKTFIHMRUXAN-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[N@@H+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000288578597 220256418 /nfs/dbraw/zinc/25/64/18/220256418.db2.gz UYWDXKTYCIWAMA-CMPYXILNSA-N 1 0 317.389 2.551 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610437011 399367836 /nfs/dbraw/zinc/36/78/36/399367836.db2.gz BWNDCKKISAOUOL-LBPRGKRZSA-N 1 0 319.405 2.617 20 5 DFBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284928928 218238572 /nfs/dbraw/zinc/23/85/72/218238572.db2.gz DKQXFKYZFYMBQG-NHYWBVRUSA-N 1 0 307.394 2.625 20 5 DFBDRO Cc1cnn([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105899904 194163850 /nfs/dbraw/zinc/16/38/50/194163850.db2.gz GHOYCXISSSFYLF-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610517831 399376074 /nfs/dbraw/zinc/37/60/74/399376074.db2.gz WILMBUKFRUREPF-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000610585367 399384003 /nfs/dbraw/zinc/38/40/03/399384003.db2.gz MGNZEPODWQQQIC-SWLSCSKDSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]21 ZINC000610585364 399383695 /nfs/dbraw/zinc/38/36/95/399383695.db2.gz MFVMSEVBBFJXSS-WFASDCNBSA-N 1 0 303.362 2.716 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000615838929 399388213 /nfs/dbraw/zinc/38/82/13/399388213.db2.gz XXTRRGNDFPEZQI-ROCHPLJESA-N 1 0 313.361 2.537 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000285337936 218387606 /nfs/dbraw/zinc/38/76/06/218387606.db2.gz OXWHOECYVKMRSR-YMTOWFKASA-N 1 0 300.305 2.514 20 5 DFBDRO C[N@H+](CCO[C@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000285361215 218398237 /nfs/dbraw/zinc/39/82/37/218398237.db2.gz QGTZZRSOLDGLNU-INIZCTEOSA-N 1 0 308.378 2.612 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000109756275 194282794 /nfs/dbraw/zinc/28/27/94/194282794.db2.gz WGPFNDKRQNOQLZ-OLZOCXBDSA-N 1 0 318.295 2.791 20 5 DFBDRO CCC[NH+]1CCC(N(C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000109786148 194284833 /nfs/dbraw/zinc/28/48/33/194284833.db2.gz OOFIYTCYCHICQW-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO CC(C)(CC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000422557033 296312028 /nfs/dbraw/zinc/31/20/28/296312028.db2.gz VEDLRBFMOUOJHV-UHFFFAOYSA-N 1 0 320.418 2.935 20 5 DFBDRO Cc1nccn1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268849099 207014724 /nfs/dbraw/zinc/01/47/24/207014724.db2.gz XNCCKWWDXGNXRB-INIZCTEOSA-N 1 0 314.389 2.711 20 5 DFBDRO CCc1nn(C)cc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619846227 399395788 /nfs/dbraw/zinc/39/57/88/399395788.db2.gz NCYNWCLAKHJDPG-UHFFFAOYSA-N 1 0 302.378 2.565 20 5 DFBDRO CC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115196 399397559 /nfs/dbraw/zinc/39/75/59/399397559.db2.gz GUYPUEIUHQIWLR-WFASDCNBSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000110992386 194378623 /nfs/dbraw/zinc/37/86/23/194378623.db2.gz YUZDAZCZTSOERB-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[N@H+](CCc1nccs1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000159313225 197345230 /nfs/dbraw/zinc/34/52/30/197345230.db2.gz GLGRZZUMVVFMES-AWEZNQCLSA-N 1 0 321.402 2.649 20 5 DFBDRO CC(C)[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615943509 399403513 /nfs/dbraw/zinc/40/35/13/399403513.db2.gz RCLYBXYCXXPJEY-CQSZACIVSA-N 1 0 302.378 2.858 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422709112 296319651 /nfs/dbraw/zinc/31/96/51/296319651.db2.gz CSYUJZQXBPJJIZ-HRCADAONSA-N 1 0 319.405 2.614 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN(C)CCOC(C)(C)C ZINC000610859863 399412886 /nfs/dbraw/zinc/41/28/86/399412886.db2.gz RBFOQZJNWRVRKZ-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCOC(C)(C)C ZINC000610859777 399413064 /nfs/dbraw/zinc/41/30/64/399413064.db2.gz MDVGAAOEZRNMOG-GFCCVEGCSA-N 1 0 323.393 2.669 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000269011845 207162564 /nfs/dbraw/zinc/16/25/64/207162564.db2.gz AFAIGFYDDPLWOU-OKILXGFUSA-N 1 0 307.394 2.896 20 5 DFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1C ZINC000611092463 399433552 /nfs/dbraw/zinc/43/35/52/399433552.db2.gz UZSJQROCUKCFNW-AWEZNQCLSA-N 1 0 321.421 2.908 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C ZINC000611084615 399432836 /nfs/dbraw/zinc/43/28/36/399432836.db2.gz HHVRBDSNABGXAI-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080813 399432857 /nfs/dbraw/zinc/43/28/57/399432857.db2.gz FDZAIMTXPYNGBQ-XIRDDKMYSA-N 1 0 317.433 2.990 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000602425818 399440934 /nfs/dbraw/zinc/44/09/34/399440934.db2.gz VIXCEIJBDVAIRZ-SNVBAGLBSA-N 1 0 318.295 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](Cc2c[nH]c3ncncc23)C2CC2)cc1 ZINC000602438694 399444119 /nfs/dbraw/zinc/44/41/19/399444119.db2.gz HNBLTBIUNDQBRE-UHFFFAOYSA-N 1 0 323.356 2.982 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000063710977 184286701 /nfs/dbraw/zinc/28/67/01/184286701.db2.gz KYSSKGVPLQFHKR-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCCC1 ZINC000064020543 184291638 /nfs/dbraw/zinc/29/16/38/184291638.db2.gz PWFKMSKIRSPEQZ-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602517236 399466499 /nfs/dbraw/zinc/46/64/99/399466499.db2.gz CWOGXLLQDIOAMR-MBNYWOFBSA-N 1 0 305.378 2.693 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000611370261 399466645 /nfs/dbraw/zinc/46/66/45/399466645.db2.gz QYYCDLPARIBCMZ-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346689234 284925686 /nfs/dbraw/zinc/92/56/86/284925686.db2.gz PYJSJPKYROZBLT-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO Cc1c(CC(=O)NCC2([NH3+])CCCCCC2)cccc1[N+](=O)[O-] ZINC000422740366 296324430 /nfs/dbraw/zinc/32/44/30/296324430.db2.gz NKFBGHMVMKHEFP-UHFFFAOYSA-N 1 0 319.405 2.614 20 5 DFBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000611409050 399471521 /nfs/dbraw/zinc/47/15/21/399471521.db2.gz HAVALVNCFZETMT-SNVBAGLBSA-N 1 0 305.334 2.929 20 5 DFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066149054 184393192 /nfs/dbraw/zinc/39/31/92/184393192.db2.gz UNJRYINCPBQPSB-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO Cc1nnsc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000602558509 399475090 /nfs/dbraw/zinc/47/50/90/399475090.db2.gz BZAXDANMMJKDQS-UHFFFAOYSA-N 1 0 306.391 2.867 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422758554 296327936 /nfs/dbraw/zinc/32/79/36/296327936.db2.gz KKNIKKHPRAXNOJ-PBWFPOADSA-N 1 0 317.389 2.533 20 5 DFBDRO CC(C)C[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602570703 399478652 /nfs/dbraw/zinc/47/86/52/399478652.db2.gz HSJWLDPGKYHCQG-ZDUSSCGKSA-N 1 0 306.410 2.983 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H]1F ZINC000611501386 399483000 /nfs/dbraw/zinc/48/30/00/399483000.db2.gz BGSVOWOKWVHLEU-NEPJUHHUSA-N 1 0 309.341 2.603 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCCO1 ZINC000602584767 399483306 /nfs/dbraw/zinc/48/33/06/399483306.db2.gz ANHXMZPGCLGEAM-GWCFXTLKSA-N 1 0 305.334 2.783 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602609759 399489547 /nfs/dbraw/zinc/48/95/47/399489547.db2.gz VJRWLCOZXLWKPA-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC([C@H](C)[NH3+])CC2)cc1[N+](=O)[O-] ZINC000422787042 296332591 /nfs/dbraw/zinc/33/25/91/296332591.db2.gz LOYGXJGHKUIKLI-LBPRGKRZSA-N 1 0 319.405 2.918 20 5 DFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602622027 399493231 /nfs/dbraw/zinc/49/32/31/399493231.db2.gz JDXDMPKAJHSLRR-RYUDHWBXSA-N 1 0 318.295 2.863 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CC34CCOCC4)nc2c1 ZINC000602625954 399494988 /nfs/dbraw/zinc/49/49/88/399494988.db2.gz VYIXILBKQUZZHA-NSHDSACASA-N 1 0 317.345 2.642 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000422791558 296333548 /nfs/dbraw/zinc/33/35/48/296333548.db2.gz QIIURBVRQDXYRK-CYBMUJFWSA-N 1 0 319.405 2.719 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC34CCCC4)CC2)cn1 ZINC000602636550 399498293 /nfs/dbraw/zinc/49/82/93/399498293.db2.gz JLHBCCDVGVAASE-HNNXBMFYSA-N 1 0 316.405 2.881 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCCO1 ZINC000602636082 399498635 /nfs/dbraw/zinc/49/86/35/399498635.db2.gz FKUMOAAQUYCCFJ-IINYFYTJSA-N 1 0 304.350 2.518 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+]CCCCCO)cc1Br ZINC000602643067 399499899 /nfs/dbraw/zinc/49/98/99/399499899.db2.gz HRSNKWHVHXQQRE-UHFFFAOYSA-N 1 0 323.212 2.671 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000611615692 399499105 /nfs/dbraw/zinc/49/91/05/399499105.db2.gz GMVOFCRRWKWHED-UHFFFAOYSA-N 1 0 306.410 2.916 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000602647069 399501677 /nfs/dbraw/zinc/50/16/77/399501677.db2.gz SHLUPUQARJDTLF-CABZTGNLSA-N 1 0 318.295 2.864 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000602647075 399501584 /nfs/dbraw/zinc/50/15/84/399501584.db2.gz SHLUPUQARJDTLF-JOYOIKCWSA-N 1 0 318.295 2.864 20 5 DFBDRO Cc1cccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602652938 399503780 /nfs/dbraw/zinc/50/37/80/399503780.db2.gz XWSURWNDEOSUIN-UHFFFAOYSA-N 1 0 312.329 2.772 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602659664 399506006 /nfs/dbraw/zinc/50/60/06/399506006.db2.gz QPHWHQLAHIAIIM-UHFFFAOYSA-N 1 0 320.393 2.756 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nccc(C(F)F)n2)cc1 ZINC000602664280 399508453 /nfs/dbraw/zinc/50/84/53/399508453.db2.gz YWJNNUQPYZZHDN-UHFFFAOYSA-N 1 0 308.288 2.655 20 5 DFBDRO CCOCC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602664699 399509754 /nfs/dbraw/zinc/50/97/54/399509754.db2.gz PWLSVGOADMFWDV-UHFFFAOYSA-N 1 0 307.350 2.888 20 5 DFBDRO C[NH+](C)CCN(CCc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000602665033 399509797 /nfs/dbraw/zinc/50/97/97/399509797.db2.gz XLNDNBJJWLLILZ-UHFFFAOYSA-N 1 0 317.389 2.794 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000422853605 296345208 /nfs/dbraw/zinc/34/52/08/296345208.db2.gz ZIKLTLISDSXXIJ-BXUZGUMPSA-N 1 0 305.378 2.528 20 5 DFBDRO COc1ccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1F ZINC000611713951 399510544 /nfs/dbraw/zinc/51/05/44/399510544.db2.gz NGIXHQXOGQPAOF-JTQLQIEISA-N 1 0 322.340 2.598 20 5 DFBDRO COCCO[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347386580 285025583 /nfs/dbraw/zinc/02/55/83/285025583.db2.gz YRBDJXDPUGXVNN-QXSWTLKVSA-N 1 0 320.389 2.735 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000602672464 399513961 /nfs/dbraw/zinc/51/39/61/399513961.db2.gz OYRMBUZMFQMALW-WCQYABFASA-N 1 0 318.295 2.573 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000119797940 195039066 /nfs/dbraw/zinc/03/90/66/195039066.db2.gz FXHRGJUCNHLGOY-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccco1 ZINC000119853298 195048583 /nfs/dbraw/zinc/04/85/83/195048583.db2.gz COLPJNKBTPQIMH-LLVKDONJSA-N 1 0 303.318 2.695 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119926696 195063285 /nfs/dbraw/zinc/06/32/85/195063285.db2.gz BEBJZJZOAYLHRA-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000602679798 399517840 /nfs/dbraw/zinc/51/78/40/399517840.db2.gz BVNBIDFLFRDHDP-LDYMZIIASA-N 1 0 306.284 2.863 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686374 399520527 /nfs/dbraw/zinc/52/05/27/399520527.db2.gz QHPJWRMEFHTZMR-UHFFFAOYSA-N 1 0 318.377 2.700 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@H](C)O ZINC000602684352 399518966 /nfs/dbraw/zinc/51/89/66/399518966.db2.gz WMWALAANZPEYBD-RCOVLWMOSA-N 1 0 323.212 2.668 20 5 DFBDRO COC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602692696 399522966 /nfs/dbraw/zinc/52/29/66/399522966.db2.gz XMTHQQCXCCBRPH-UHFFFAOYSA-N 1 0 305.334 2.783 20 5 DFBDRO C[C@@H](O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000602697305 399525479 /nfs/dbraw/zinc/52/54/79/399525479.db2.gz FSLMMAORRVEJRG-PXAZEXFGSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602704297 399530004 /nfs/dbraw/zinc/53/00/04/399530004.db2.gz FZQPUDWMIFCMGX-NSHDSACASA-N 1 0 312.329 2.852 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000602707191 399531082 /nfs/dbraw/zinc/53/10/82/399531082.db2.gz DNQSYVHTGRKQJR-SJORKVTESA-N 1 0 303.406 2.744 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000318594174 533038924 /nfs/dbraw/zinc/03/89/24/533038924.db2.gz IURFIGVCUTWASP-GHMZBOCLSA-N 1 0 309.341 2.781 20 5 DFBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602709609 399532812 /nfs/dbraw/zinc/53/28/12/399532812.db2.gz GUFZMUJCBVTZLR-ZYHUDNBSSA-N 1 0 305.334 2.783 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000262579619 285085949 /nfs/dbraw/zinc/08/59/49/285085949.db2.gz YTGQTFIQHSZFQC-MWLCHTKSSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC000602717649 399536367 /nfs/dbraw/zinc/53/63/67/399536367.db2.gz IHDXDZDYQHJFLN-UHFFFAOYSA-N 1 0 316.279 2.836 20 5 DFBDRO C[C@@H](CO)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000270263816 208327921 /nfs/dbraw/zinc/32/79/21/208327921.db2.gz IPAMWPCAJAVUSN-SNVBAGLBSA-N 1 0 318.320 2.694 20 5 DFBDRO C[C@@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273067887 210446854 /nfs/dbraw/zinc/44/68/54/210446854.db2.gz NTJRSPXFOLYYEM-JKSUJKDBSA-N 1 0 306.362 2.521 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000347628126 285101132 /nfs/dbraw/zinc/10/11/32/285101132.db2.gz HQGWYBPWWOTOAT-ZFWWWQNUSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286303242 218904731 /nfs/dbraw/zinc/90/47/31/218904731.db2.gz YMUZKYBOKMDJFN-SNVBAGLBSA-N 1 0 321.406 2.743 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000288611846 220287455 /nfs/dbraw/zinc/28/74/55/220287455.db2.gz QSOVHCGVIHDIPZ-ZDUSSCGKSA-N 1 0 314.341 2.869 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCCc3ccccc32)cc1 ZINC000281652000 285115701 /nfs/dbraw/zinc/11/57/01/285115701.db2.gz JYZJGLPFKCSPPM-SFHVURJKSA-N 1 0 312.369 2.909 20 5 DFBDRO CCCC[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000159108332 197327900 /nfs/dbraw/zinc/32/79/00/197327900.db2.gz NKDVVRJOWAONFZ-UHFFFAOYSA-N 1 0 318.320 2.791 20 5 DFBDRO COCCOCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000322896805 533068537 /nfs/dbraw/zinc/06/85/37/533068537.db2.gz FJYNYJBPMRKQSM-UHFFFAOYSA-N 1 0 319.361 2.916 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000375747968 285119056 /nfs/dbraw/zinc/11/90/56/285119056.db2.gz FRTRWOXGAHPTSH-YUTCNCBUSA-N 1 0 305.353 2.654 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000602752349 399556274 /nfs/dbraw/zinc/55/62/74/399556274.db2.gz LRPPDMALUBAKJB-UKINESCASA-N 1 0 301.390 2.634 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091505 296377238 /nfs/dbraw/zinc/37/72/38/296377238.db2.gz XIPIAJXIZVXQQA-TVQRCGJNSA-N 1 0 317.311 2.701 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000120232549 195124118 /nfs/dbraw/zinc/12/41/18/195124118.db2.gz YQPQMGNYYSVEBO-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286474781 219008645 /nfs/dbraw/zinc/00/86/45/219008645.db2.gz PNNVUSDMNYKHIJ-NSHDSACASA-N 1 0 313.348 2.789 20 5 DFBDRO Cc1ccc(C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C2CC2)o1 ZINC000602767283 399562305 /nfs/dbraw/zinc/56/23/05/399562305.db2.gz SVPYAXLEJNYBER-UHFFFAOYSA-N 1 0 304.350 2.666 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[NH+](C4CCCC4)CC3)nc2c1 ZINC000277733841 285140753 /nfs/dbraw/zinc/14/07/53/285140753.db2.gz IAOATKCWRAHVKC-UHFFFAOYSA-N 1 0 315.377 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3nccn3C1)CCC2 ZINC000373028606 285144520 /nfs/dbraw/zinc/14/45/20/285144520.db2.gz KQSQTAXZSHTNCD-BBRMVZONSA-N 1 0 312.373 2.773 20 5 DFBDRO NC(=O)c1ccc(C[NH+]2CCC3(CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000158400735 197269547 /nfs/dbraw/zinc/26/95/47/197269547.db2.gz PNXQWUYVGRDWLZ-UHFFFAOYSA-N 1 0 317.389 2.850 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000602777396 399568209 /nfs/dbraw/zinc/56/82/09/399568209.db2.gz DWVJCGAJIXTXLY-UHFFFAOYSA-N 1 0 324.450 2.851 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000602783119 399571970 /nfs/dbraw/zinc/57/19/70/399571970.db2.gz YQQQHKLARPSVPX-CZUORRHYSA-N 1 0 314.389 2.978 20 5 DFBDRO Cn1cc(C[NH2+][C@]2(C)CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602791326 399576198 /nfs/dbraw/zinc/57/61/98/399576198.db2.gz FARHBXHDXCYZQK-MRXNPFEDSA-N 1 0 300.362 2.670 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000365823977 285167900 /nfs/dbraw/zinc/16/79/00/285167900.db2.gz IOIAFPZGRYWIKI-HNNXBMFYSA-N 1 0 318.352 2.638 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000602788595 399574170 /nfs/dbraw/zinc/57/41/70/399574170.db2.gz QXHVHOOXEYXMRO-UHFFFAOYSA-N 1 0 318.352 2.908 20 5 DFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157397756 197184096 /nfs/dbraw/zinc/18/40/96/197184096.db2.gz GZLRZKDEVZSQJF-MRXNPFEDSA-N 1 0 316.361 2.637 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000347785016 285173302 /nfs/dbraw/zinc/17/33/02/285173302.db2.gz MYKOSCOBJYNKLN-UKRRQHHQSA-N 1 0 322.405 2.832 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000157327312 197179952 /nfs/dbraw/zinc/17/99/52/197179952.db2.gz DOUYJJNLNZJUMK-UHFFFAOYSA-N 1 0 314.389 2.746 20 5 DFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1nc(C)cs1 ZINC000602807184 399583800 /nfs/dbraw/zinc/58/38/00/399583800.db2.gz VKWNKKGNMFUNDN-NSHDSACASA-N 1 0 309.395 2.606 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220058 296393610 /nfs/dbraw/zinc/39/36/10/296393610.db2.gz XVFXAKZJYDYSFF-QWHCGFSZSA-N 1 0 307.394 2.644 20 5 DFBDRO NC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268787 296399018 /nfs/dbraw/zinc/39/90/18/296399018.db2.gz DYGKZTMIAPDXMT-BMFZPTHFSA-N 1 0 303.406 2.633 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000156016165 197081102 /nfs/dbraw/zinc/08/11/02/197081102.db2.gz JIDGVIHAFSHDAH-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000155394179 197050263 /nfs/dbraw/zinc/05/02/63/197050263.db2.gz HOAUGDHMMZYQAQ-UHFFFAOYSA-N 1 0 321.421 2.668 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000155036170 197016148 /nfs/dbraw/zinc/01/61/48/197016148.db2.gz QKQRYPSGHVYWBA-JHJVBQTASA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000347919635 285246327 /nfs/dbraw/zinc/24/63/27/285246327.db2.gz SABOZHUSAOHCNY-CQSZACIVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153134990 196855039 /nfs/dbraw/zinc/85/50/39/196855039.db2.gz AGYKXIXKCNLWJW-OKILXGFUSA-N 1 0 317.389 2.964 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@H]1c1ncccn1 ZINC000602895995 399618171 /nfs/dbraw/zinc/61/81/71/399618171.db2.gz FBPIHVHXJVKROU-AWEZNQCLSA-N 1 0 314.345 2.601 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000293042012 533218338 /nfs/dbraw/zinc/21/83/38/533218338.db2.gz HBCZYBBGSUUBTD-INIZCTEOSA-N 1 0 308.378 2.850 20 5 DFBDRO CC[C@@H](c1cccc(OC)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000289476538 221003925 /nfs/dbraw/zinc/00/39/25/221003925.db2.gz RJSXWGQEPLBIHI-INIZCTEOSA-N 1 0 318.377 2.883 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000293042016 533219214 /nfs/dbraw/zinc/21/92/14/533219214.db2.gz HBCZYBBGSUUBTD-MRXNPFEDSA-N 1 0 308.378 2.850 20 5 DFBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000289662547 221138003 /nfs/dbraw/zinc/13/80/03/221138003.db2.gz YQAPXOHUABXAHT-TXEJJXNPSA-N 1 0 316.304 2.805 20 5 DFBDRO Cc1nnc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000289725609 221180958 /nfs/dbraw/zinc/18/09/58/221180958.db2.gz FWLSAFAULXDWMY-UHFFFAOYSA-N 1 0 312.782 2.740 20 5 DFBDRO CC[N@H+](CCNc1cccnc1[N+](=O)[O-])CCC(F)(F)F ZINC000617212582 399630041 /nfs/dbraw/zinc/63/00/41/399630041.db2.gz UARBPYMIOOWHOP-UHFFFAOYSA-N 1 0 306.288 2.676 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC)CCC[NH+](C)C ZINC000289696218 221161377 /nfs/dbraw/zinc/16/13/77/221161377.db2.gz GUNLZFGCHKAQFX-UHFFFAOYSA-N 1 0 322.409 2.963 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000289745564 221197964 /nfs/dbraw/zinc/19/79/64/221197964.db2.gz OMKOPVTVPYVXRZ-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423671123 296437682 /nfs/dbraw/zinc/43/76/82/296437682.db2.gz VVVIJKVUQAALPP-JSGCOSHPSA-N 1 0 319.405 2.918 20 5 DFBDRO CC[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)OC ZINC000289897679 221301740 /nfs/dbraw/zinc/30/17/40/221301740.db2.gz TTYJDXUZQOIPAA-NSHDSACASA-N 1 0 304.293 2.711 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1[C@H]1CCCO1 ZINC000289911558 221311460 /nfs/dbraw/zinc/31/14/60/221311460.db2.gz UFFVTAPRMZCIMD-CVEARBPZSA-N 1 0 320.389 2.863 20 5 DFBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000290005332 221374414 /nfs/dbraw/zinc/37/44/14/221374414.db2.gz ZIXOTJTURJASLL-LLVKDONJSA-N 1 0 300.305 2.951 20 5 DFBDRO Cc1nc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)sc1C ZINC000602963326 399641408 /nfs/dbraw/zinc/64/14/08/399641408.db2.gz VPYTWUJPOXRCKU-HNNXBMFYSA-N 1 0 321.402 2.665 20 5 DFBDRO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967479 399642245 /nfs/dbraw/zinc/64/22/45/399642245.db2.gz JFNZICLKYJQKDS-OUAUKWLOSA-N 1 0 320.315 2.843 20 5 DFBDRO C[C@](CO)(NCc1c(F)cccc1F)c1cccc([N+](=O)[O-])c1 ZINC000602963539 399641616 /nfs/dbraw/zinc/64/16/16/399641616.db2.gz XSZFZLCTEDQXQC-MRXNPFEDSA-N 1 0 322.311 2.870 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966962 399642563 /nfs/dbraw/zinc/64/25/63/399642563.db2.gz XIQDNSZFMWOZMC-AWEZNQCLSA-N 1 0 322.405 2.503 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000612577383 399679610 /nfs/dbraw/zinc/67/96/10/399679610.db2.gz DQBGIXRMUXLOEN-MRXNPFEDSA-N 1 0 300.362 2.764 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000612578243 399680624 /nfs/dbraw/zinc/68/06/24/399680624.db2.gz ZOYMBJDWOZRBBT-UHFFFAOYSA-N 1 0 306.362 2.821 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612580295 399681347 /nfs/dbraw/zinc/68/13/47/399681347.db2.gz NVULQECGVIFFAR-RHSMWYFYSA-N 1 0 319.405 2.640 20 5 DFBDRO CC[N@H+]1[C@H](C)CN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603141488 399692517 /nfs/dbraw/zinc/69/25/17/399692517.db2.gz DJXNXXRYYXEYHT-MJBXVCDLSA-N 1 0 319.405 2.639 20 5 DFBDRO CC(C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000074237976 184966843 /nfs/dbraw/zinc/96/68/43/184966843.db2.gz QAGXESBXLMNZJZ-UHFFFAOYSA-N 1 0 305.378 2.678 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC000074511512 184991894 /nfs/dbraw/zinc/99/18/94/184991894.db2.gz KYTRQTWJDMITDV-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CCC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000121647163 195323628 /nfs/dbraw/zinc/32/36/28/195323628.db2.gz KXNQVGFVQHMICW-KRWDZBQOSA-N 1 0 321.421 2.528 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271627858 209072249 /nfs/dbraw/zinc/07/22/49/209072249.db2.gz YMSPYBJNZXLZQY-NWDGAFQWSA-N 1 0 321.377 2.805 20 5 DFBDRO C[C@@H]([NH2+]CCCc1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294565812 533391265 /nfs/dbraw/zinc/39/12/65/533391265.db2.gz BQCJHSHGWJPFDO-SNVBAGLBSA-N 1 0 306.391 2.917 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294792201 533410779 /nfs/dbraw/zinc/41/07/79/533410779.db2.gz OKTZVTJBBLNWOI-DOMZBBRYSA-N 1 0 315.373 2.604 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792346 533416053 /nfs/dbraw/zinc/41/60/53/533416053.db2.gz QQZUXGOLFOFYND-QLJPJBMISA-N 1 0 319.336 2.700 20 5 DFBDRO C[C@@H](CCCC[NH3+])Nc1c(Br)cncc1[N+](=O)[O-] ZINC000311029011 533540611 /nfs/dbraw/zinc/54/06/11/533540611.db2.gz SGLDFULYRQRMLT-QMMMGPOBSA-N 1 0 317.187 2.682 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000292850720 533670970 /nfs/dbraw/zinc/67/09/70/533670970.db2.gz BVYJOGGFLQWSHC-INIZCTEOSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1ccc(NC2CC[NH+](C3CCOCC3)CC2)c([N+](=O)[O-])c1 ZINC000603409187 399769399 /nfs/dbraw/zinc/76/93/99/399769399.db2.gz VRMANPCBKLYKSU-UHFFFAOYSA-N 1 0 319.405 2.959 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]([C@H]4CCOC4)C3)nc2c1 ZINC000366654766 131305509 /nfs/dbraw/zinc/30/55/09/131305509.db2.gz MHZIXVPHQVOWLZ-NEPJUHHUSA-N 1 0 317.345 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]([C@@H]4CCOC4)C3)nc2c1 ZINC000366654769 131305627 /nfs/dbraw/zinc/30/56/27/131305627.db2.gz MHZIXVPHQVOWLZ-VXGBXAGGSA-N 1 0 317.345 2.594 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424112483 296486008 /nfs/dbraw/zinc/48/60/08/296486008.db2.gz JWFCAJHGADECSM-FZMZJTMJSA-N 1 0 305.378 2.645 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424189989 296491829 /nfs/dbraw/zinc/49/18/29/296491829.db2.gz NLYBUKDUKDZMLS-CQSZACIVSA-N 1 0 319.405 2.676 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424215083 296493599 /nfs/dbraw/zinc/49/35/99/296493599.db2.gz DVQZPVLFTGFZPM-ZIAGYGMSSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000603848853 399808654 /nfs/dbraw/zinc/80/86/54/399808654.db2.gz UWHHHJGNNKCBNO-NSHDSACASA-N 1 0 318.402 2.910 20 5 DFBDRO O=C(NCC[NH2+]C1CC1)c1cc2ccccc2c2cccnc12 ZINC000238108089 542910132 /nfs/dbraw/zinc/91/01/32/542910132.db2.gz JVURMQJXXXBQEV-UHFFFAOYSA-N 1 0 305.381 2.870 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348534747 285592052 /nfs/dbraw/zinc/59/20/52/285592052.db2.gz PVTULQGTIIBXRI-NWDGAFQWSA-N 1 0 316.304 2.853 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccco2)[NH+]2CCCCC2)nc1 ZINC000273134746 542969907 /nfs/dbraw/zinc/96/99/07/542969907.db2.gz CMTGFZQVFNNLGZ-CYBMUJFWSA-N 1 0 317.349 2.617 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424462308 296510764 /nfs/dbraw/zinc/51/07/64/296510764.db2.gz MILKZWSJGSJADT-IACUBPJLSA-N 1 0 320.393 2.533 20 5 DFBDRO Cc1nn(C)c(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301298378 543045974 /nfs/dbraw/zinc/04/59/74/543045974.db2.gz TTZWXVBAFFIXJJ-LLVKDONJSA-N 1 0 309.414 2.559 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000604474855 399848190 /nfs/dbraw/zinc/84/81/90/399848190.db2.gz MWOLUIANJKKIQU-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO C[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339675406 543145358 /nfs/dbraw/zinc/14/53/58/543145358.db2.gz FBIRXDYOWZGYRA-VIFPVBQESA-N 1 0 303.284 2.754 20 5 DFBDRO CC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000052908731 425886201 /nfs/dbraw/zinc/88/62/01/425886201.db2.gz AOCLIGBESFEZPB-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000349247531 285816124 /nfs/dbraw/zinc/81/61/24/285816124.db2.gz PAIVMJVVFBRYMH-GXTWGEPZSA-N 1 0 319.405 2.881 20 5 DFBDRO COC(=O)C1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000188668466 145794520 /nfs/dbraw/zinc/79/45/20/145794520.db2.gz GRLQGYHZKOOSTH-UHFFFAOYSA-N 1 0 306.362 2.761 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237866314 146054337 /nfs/dbraw/zinc/05/43/37/146054337.db2.gz PHEPAEBKNXVFCI-LSDHHAIUSA-N 1 0 319.405 2.551 20 5 DFBDRO Cn1cc(C[NH2+]Cc2cccnc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237935554 146054699 /nfs/dbraw/zinc/05/46/99/146054699.db2.gz ZDJKEWJYDAEMDR-UHFFFAOYSA-N 1 0 323.356 2.680 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057269 296582558 /nfs/dbraw/zinc/58/25/58/296582558.db2.gz ZROCDTRDXYFLNM-RLCCDNCMSA-N 1 0 303.406 2.905 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245835688 146104192 /nfs/dbraw/zinc/10/41/92/146104192.db2.gz ANOPXALESQJDGC-QWHCGFSZSA-N 1 0 305.378 2.901 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000452072136 543366936 /nfs/dbraw/zinc/36/69/36/543366936.db2.gz SSCAKOARNWJQSZ-FRRDWIJNSA-N 1 0 319.405 2.998 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000246062773 146117958 /nfs/dbraw/zinc/11/79/58/146117958.db2.gz YMYHFNNCTHKCHK-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000246194989 146128266 /nfs/dbraw/zinc/12/82/66/146128266.db2.gz LLZYSDMWHPURHL-JKSUJKDBSA-N 1 0 303.406 2.819 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247369644 146168126 /nfs/dbraw/zinc/16/81/26/146168126.db2.gz RSMXOQCOUYPMIS-OCCSQVGLSA-N 1 0 318.377 2.604 20 5 DFBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000248905032 146176501 /nfs/dbraw/zinc/17/65/01/146176501.db2.gz XYRGXMFEDXFOCX-QWHCGFSZSA-N 1 0 320.393 2.837 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261797689 146278539 /nfs/dbraw/zinc/27/85/39/146278539.db2.gz GQKKMUQTRAPBLC-FUNVUKJBSA-N 1 0 309.797 2.963 20 5 DFBDRO C[NH2+]CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000261829361 146285088 /nfs/dbraw/zinc/28/50/88/146285088.db2.gz BILBQPHQQGTYAO-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO Cc1c(CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000261892793 146296926 /nfs/dbraw/zinc/29/69/26/146296926.db2.gz NZQXBMFTNUYJDR-JSGCOSHPSA-N 1 0 319.405 2.545 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000262031608 146324924 /nfs/dbraw/zinc/32/49/24/146324924.db2.gz YYEQUYSOFOBMMR-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000262038347 146325997 /nfs/dbraw/zinc/32/59/97/146325997.db2.gz BOVHCLFMQHZGSL-UHFFFAOYSA-N 1 0 307.369 2.698 20 5 DFBDRO [NH3+]C[C@H](Nc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000262063788 146328919 /nfs/dbraw/zinc/32/89/19/146328919.db2.gz FGKGMEAKXCSWKK-AWEZNQCLSA-N 1 0 303.366 2.791 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262953423 146401266 /nfs/dbraw/zinc/40/12/66/146401266.db2.gz JWPHXDIECMXORK-HZUKXOBISA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357395897 147977273 /nfs/dbraw/zinc/97/72/73/147977273.db2.gz ZCTJWFZTDJINDT-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357668514 148078570 /nfs/dbraw/zinc/07/85/70/148078570.db2.gz VYXDZOYYMMSAFJ-RYUDHWBXSA-N 1 0 306.366 2.507 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736898 148102107 /nfs/dbraw/zinc/10/21/07/148102107.db2.gz CMVILNJNMVRSDT-YCPHGPKFSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1sc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000357871579 148157833 /nfs/dbraw/zinc/15/78/33/148157833.db2.gz FRPCEVHMAWTYHT-UHFFFAOYSA-N 1 0 323.418 2.571 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1cccn1 ZINC000358013379 148212621 /nfs/dbraw/zinc/21/26/21/148212621.db2.gz ALYAUCFKXJALSN-ZDUSSCGKSA-N 1 0 320.418 2.952 20 5 DFBDRO CCc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)no1 ZINC000358104869 148246481 /nfs/dbraw/zinc/24/64/81/148246481.db2.gz ZMIMCXUGJUNXFP-LLVKDONJSA-N 1 0 304.350 2.742 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c(F)c1 ZINC000350284812 286024076 /nfs/dbraw/zinc/02/40/76/286024076.db2.gz CFPCFPVESKSRGL-CQSZACIVSA-N 1 0 322.311 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2ccc(F)cc2)c(F)c1 ZINC000350284810 286024108 /nfs/dbraw/zinc/02/41/08/286024108.db2.gz CFPCFPVESKSRGL-AWEZNQCLSA-N 1 0 322.311 2.566 20 5 DFBDRO CCN1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288979 286024974 /nfs/dbraw/zinc/02/49/74/286024974.db2.gz PVSRIDYFDQRNRU-BXUZGUMPSA-N 1 0 311.813 2.721 20 5 DFBDRO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358240385 148299037 /nfs/dbraw/zinc/29/90/37/148299037.db2.gz QUEAZIBIUVKGSU-CZUORRHYSA-N 1 0 314.389 2.829 20 5 DFBDRO COC(=O)CCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000358282646 148318801 /nfs/dbraw/zinc/31/88/01/148318801.db2.gz TYKZQDDPDVCZJN-VURMDHGXSA-N 1 0 306.362 2.929 20 5 DFBDRO C[C@H](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[S@](C)=O ZINC000358303320 148322221 /nfs/dbraw/zinc/32/22/21/148322221.db2.gz QPCZLCXKHFYRAO-PVSQZPHNSA-N 1 0 324.446 2.663 20 5 DFBDRO CC[C@H]([NH2+]CCc1ncc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000358360389 148341312 /nfs/dbraw/zinc/34/13/12/148341312.db2.gz CIHXWRIFQAKYCN-HNNXBMFYSA-N 1 0 300.362 2.977 20 5 DFBDRO CC[N@H+](CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000360127685 148820971 /nfs/dbraw/zinc/82/09/71/148820971.db2.gz LGJPKEHSTDXFBB-UHFFFAOYSA-N 1 0 309.366 2.524 20 5 DFBDRO CC[C@H](CNc1cc(C(=O)OC)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000360144859 148822041 /nfs/dbraw/zinc/82/20/41/148822041.db2.gz RIUWTFRVZKKLHZ-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO Cc1ccncc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000361415106 149109668 /nfs/dbraw/zinc/10/96/68/149109668.db2.gz XQCIBRNSRHKYTF-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](CC2CC2)C2CCC2)c1 ZINC000361587382 149157840 /nfs/dbraw/zinc/15/78/40/149157840.db2.gz VTKNNPMMACVOQE-MRXNPFEDSA-N 1 0 320.389 2.599 20 5 DFBDRO CC1=C(C)CN([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000361619528 149170737 /nfs/dbraw/zinc/17/07/37/149170737.db2.gz MYHQKXASUIYSQO-INIZCTEOSA-N 1 0 315.373 2.742 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351220309 286116602 /nfs/dbraw/zinc/11/66/02/286116602.db2.gz WJSAGTWUZNEUMU-JTQLQIEISA-N 1 0 312.345 2.584 20 5 DFBDRO CC(C)OC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166616 150143875 /nfs/dbraw/zinc/14/38/75/150143875.db2.gz JLXYPDORWBGRQG-BBRMVZONSA-N 1 0 308.378 2.782 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000372899927 150199639 /nfs/dbraw/zinc/19/96/39/150199639.db2.gz MDILXWOEKDNLGZ-OAHLLOKOSA-N 1 0 321.352 2.937 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000373167953 150240623 /nfs/dbraw/zinc/24/06/23/150240623.db2.gz XSIQXPHMCNYRIL-JRKQMZJPSA-N 1 0 318.373 2.536 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000374128881 150308992 /nfs/dbraw/zinc/30/89/92/150308992.db2.gz FXKZHEWUEFLWGG-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO O=C(CC[NH+]1CC2(C1)CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000374406064 150361518 /nfs/dbraw/zinc/36/15/18/150361518.db2.gz YMKHQQJVDOLGNH-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000374469073 150371513 /nfs/dbraw/zinc/37/15/13/150371513.db2.gz NDONZYZJMOGBPK-WCQYABFASA-N 1 0 300.362 2.834 20 5 DFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524427 150373245 /nfs/dbraw/zinc/37/32/45/150373245.db2.gz WCJBGGMXYSJTSW-ZDUSSCGKSA-N 1 0 318.352 2.847 20 5 DFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000375057515 150394528 /nfs/dbraw/zinc/39/45/28/150394528.db2.gz AWWYDQHHCBRRKA-UHFFFAOYSA-N 1 0 315.304 2.632 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225051 150773919 /nfs/dbraw/zinc/77/39/19/150773919.db2.gz KRYVRIDLOZLKBO-VXGBXAGGSA-N 1 0 323.418 2.569 20 5 DFBDRO C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000427353829 296654519 /nfs/dbraw/zinc/65/45/19/296654519.db2.gz CVCIEUXOGMZVTF-STQMWFEESA-N 1 0 305.378 2.552 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849909 296670278 /nfs/dbraw/zinc/67/02/78/296670278.db2.gz OGFSLMZYGOZOEJ-HIFRSBDPSA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000352184073 286313852 /nfs/dbraw/zinc/31/38/52/286313852.db2.gz MIDLJKFWJLWCPF-GMTAPVOTSA-N 1 0 309.341 2.934 20 5 DFBDRO C[NH+](C)C1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352359416 286352802 /nfs/dbraw/zinc/35/28/02/286352802.db2.gz HFZGFZUYAQTESD-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538210 286356001 /nfs/dbraw/zinc/35/60/01/286356001.db2.gz AIAAWOHFNWLIGT-QWHCGFSZSA-N 1 0 318.377 2.582 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000352386849 286360363 /nfs/dbraw/zinc/36/03/63/286360363.db2.gz IHEGVPXWSNVTJO-UHFFFAOYSA-N 1 0 319.361 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000182595206 292295405 /nfs/dbraw/zinc/29/54/05/292295405.db2.gz YOYAYPZZXZKTEU-ZDUSSCGKSA-N 1 0 319.405 2.764 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429306807 296742161 /nfs/dbraw/zinc/74/21/61/296742161.db2.gz MQTMWSFGDQPKIW-ZDUSSCGKSA-N 1 0 314.341 2.566 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000182076368 158000467 /nfs/dbraw/zinc/00/04/67/158000467.db2.gz GKCSNLSTQOMNRW-HZPDHXFCSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc(C)cc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000183481923 158019782 /nfs/dbraw/zinc/01/97/82/158019782.db2.gz CTEJOJNYDDOZIW-OAHLLOKOSA-N 1 0 314.389 2.898 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000184717520 158037483 /nfs/dbraw/zinc/03/74/83/158037483.db2.gz TXIKVVDJEQNLAJ-IYNGYCSASA-N 1 0 318.373 2.882 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000247225329 158123263 /nfs/dbraw/zinc/12/32/63/158123263.db2.gz XESWIEDZDWTJCG-MFKMUULPSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248177166 158164001 /nfs/dbraw/zinc/16/40/01/158164001.db2.gz VTJPNLIZZDOSQQ-WMLDXEAASA-N 1 0 320.389 2.601 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248556660 158183296 /nfs/dbraw/zinc/18/32/96/158183296.db2.gz BXFWIHIDFHYKGK-OCCSQVGLSA-N 1 0 320.393 2.753 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000355156699 158287086 /nfs/dbraw/zinc/28/70/86/158287086.db2.gz FFLOIIAUEPJMSY-CORIIIEPSA-N 1 0 320.389 2.971 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C1CCC1 ZINC000357029439 158351479 /nfs/dbraw/zinc/35/14/79/158351479.db2.gz DAFGREWNZBROGC-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358294525 158369114 /nfs/dbraw/zinc/36/91/14/158369114.db2.gz AATSGOYIKBTGAK-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCC1 ZINC000358342658 158370969 /nfs/dbraw/zinc/37/09/69/158370969.db2.gz FYUKLVRCLGWPJG-HOCLYGCPSA-N 1 0 303.406 2.601 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000358382782 158374177 /nfs/dbraw/zinc/37/41/77/158374177.db2.gz OQSQZTNJUHPUHE-CHWSQXEVSA-N 1 0 302.378 2.919 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000375680225 158848807 /nfs/dbraw/zinc/84/88/07/158848807.db2.gz ZSBKHRNUEOUONJ-KBPBESRZSA-N 1 0 322.409 2.509 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376516623 158891371 /nfs/dbraw/zinc/89/13/71/158891371.db2.gz CRUKAJAUQRCNRM-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000246931558 287229677 /nfs/dbraw/zinc/22/96/77/287229677.db2.gz JYIHQIJFQVVNAM-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc(C[N@H+](C)[C@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000130551207 196089460 /nfs/dbraw/zinc/08/94/60/196089460.db2.gz RZUSNNXWUJOHRO-NSHDSACASA-N 1 0 312.391 2.549 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000130564321 196091270 /nfs/dbraw/zinc/09/12/70/196091270.db2.gz JWPPTVUZXHDOIJ-MRVPVSSYSA-N 1 0 317.187 2.682 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054129365 425889503 /nfs/dbraw/zinc/88/95/03/425889503.db2.gz IRSISNONCMMTDV-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO C[NH+](C)CCCC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000132530437 196263212 /nfs/dbraw/zinc/26/32/12/196263212.db2.gz VFXWYOBQTDEPHN-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000132957389 196299763 /nfs/dbraw/zinc/29/97/63/196299763.db2.gz URZKJIQWSYUREV-DLBZAZTESA-N 1 0 319.405 2.775 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133042741 196306825 /nfs/dbraw/zinc/30/68/25/196306825.db2.gz CWJQZGSYNGHWEP-DZGCQCFKSA-N 1 0 305.378 2.646 20 5 DFBDRO CCn1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1=O ZINC000433050170 296896433 /nfs/dbraw/zinc/89/64/33/296896433.db2.gz AEVPXXWNICGZBD-ZDUSSCGKSA-N 1 0 315.373 2.936 20 5 DFBDRO CSC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000433065945 296897683 /nfs/dbraw/zinc/89/76/83/296897683.db2.gz FLWJJHJXLADIQA-VXGBXAGGSA-N 1 0 310.423 2.760 20 5 DFBDRO COCC1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000296415988 225851706 /nfs/dbraw/zinc/85/17/06/225851706.db2.gz MIIZYUMVLVORTK-UHFFFAOYSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1c(C[N@H+](C)CCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000297369573 227076382 /nfs/dbraw/zinc/07/63/82/227076382.db2.gz HLHQSVJIJXSVMW-UHFFFAOYSA-N 1 0 323.393 2.860 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000291049846 222098714 /nfs/dbraw/zinc/09/87/14/222098714.db2.gz VLIBXEKZMUCUCX-CYBMUJFWSA-N 1 0 321.421 2.682 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000299635457 229286819 /nfs/dbraw/zinc/28/68/19/229286819.db2.gz MJTRWEWSMJUVDO-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO C[NH+](C)CC1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000301982165 230018085 /nfs/dbraw/zinc/01/80/85/230018085.db2.gz AGMYFVJZMTURLI-UHFFFAOYSA-N 1 0 307.394 2.619 20 5 DFBDRO C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000302023784 230043008 /nfs/dbraw/zinc/04/30/08/230043008.db2.gz GVBXSIWECPDMID-CYBMUJFWSA-N 1 0 307.394 2.621 20 5 DFBDRO C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000302073073 230078842 /nfs/dbraw/zinc/07/88/42/230078842.db2.gz WONMNNXZCJDILH-QWHCGFSZSA-N 1 0 307.394 2.619 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000302580843 230306160 /nfs/dbraw/zinc/30/61/60/230306160.db2.gz TWDCPXRFRSINDK-UHFFFAOYSA-N 1 0 303.309 2.948 20 5 DFBDRO Cc1c(C(=O)N(CC[NH+](C)C)CC(C)C)cccc1[N+](=O)[O-] ZINC000058885642 425898358 /nfs/dbraw/zinc/89/83/58/425898358.db2.gz KOUMHMFSPGRMOK-UHFFFAOYSA-N 1 0 307.394 2.563 20 5 DFBDRO Cc1ncsc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000066562657 425905235 /nfs/dbraw/zinc/90/52/35/425905235.db2.gz GAFCDSOKFVXTGQ-UHFFFAOYSA-N 1 0 307.375 2.871 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066407290 425904059 /nfs/dbraw/zinc/90/40/59/425904059.db2.gz COTXDLMIEYOPBY-GXTWGEPZSA-N 1 0 306.362 2.931 20 5 DFBDRO CC(C)[C@@H](C)NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458385 425910909 /nfs/dbraw/zinc/91/09/09/425910909.db2.gz GVIVYQSHBOOHEC-CQSZACIVSA-N 1 0 321.421 2.966 20 5 DFBDRO CC(C)N(C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155736816 425925234 /nfs/dbraw/zinc/92/52/34/425925234.db2.gz TZSITWAUVKCERE-MRXNPFEDSA-N 1 0 305.422 2.846 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000154299668 267517053 /nfs/dbraw/zinc/51/70/53/267517053.db2.gz GSDFQKKFFCUSDE-CYBMUJFWSA-N 1 0 318.377 2.849 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177462219 267644273 /nfs/dbraw/zinc/64/42/73/267644273.db2.gz DRESLXFMWFHJHB-GJZGRUSLSA-N 1 0 319.405 2.760 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007811836 425652010 /nfs/dbraw/zinc/65/20/10/425652010.db2.gz GSLZANHCJZWLMX-RYUDHWBXSA-N 1 0 305.378 2.820 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000033394675 425842000 /nfs/dbraw/zinc/84/20/00/425842000.db2.gz BLLGMVCBKXJMCR-GTBONMDNSA-N 1 0 318.373 2.883 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000037647810 425849060 /nfs/dbraw/zinc/84/90/60/425849060.db2.gz HEWRIKWKJDRCCY-SECBINFHSA-N 1 0 303.284 2.977 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000194849153 268118400 /nfs/dbraw/zinc/11/84/00/268118400.db2.gz DWBFGBQGMRLDLD-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000195343302 268133555 /nfs/dbraw/zinc/13/35/55/268133555.db2.gz DIRUGNDGBBWXMT-UHFFFAOYSA-N 1 0 309.414 2.841 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000268146877 268183760 /nfs/dbraw/zinc/18/37/60/268183760.db2.gz GHOUKGJQSPBVPV-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447283 268249441 /nfs/dbraw/zinc/24/94/41/268249441.db2.gz CJCHSMZHKXFNKQ-NEPJUHHUSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1nccn1CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278856287 268268370 /nfs/dbraw/zinc/26/83/70/268268370.db2.gz VZBWBVVHFZUHCQ-MRXNPFEDSA-N 1 0 300.362 2.767 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000296205466 268298689 /nfs/dbraw/zinc/29/86/89/268298689.db2.gz MHEYFVCXNPAKFY-OWCLPIDISA-N 1 0 320.389 2.566 20 5 DFBDRO C[NH+](C)CC(C)(C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000308648455 268335362 /nfs/dbraw/zinc/33/53/62/268335362.db2.gz RMOUXUMKCGIEAV-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309721280 268335773 /nfs/dbraw/zinc/33/57/73/268335773.db2.gz MIJOCNJWNKYFBW-RYUDHWBXSA-N 1 0 323.393 2.986 20 5 DFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@]1(C)C[NH3+] ZINC000319338817 268346088 /nfs/dbraw/zinc/34/60/88/268346088.db2.gz OFCCYWKVEZONAV-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723578 268358781 /nfs/dbraw/zinc/35/87/81/268358781.db2.gz LUPYQAITKJJJTG-JSGCOSHPSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000125664274 425984592 /nfs/dbraw/zinc/98/45/92/425984592.db2.gz XIOGMVOUOLJILY-NSHDSACASA-N 1 0 302.334 2.877 20 5 DFBDRO CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000125800066 425991331 /nfs/dbraw/zinc/99/13/31/425991331.db2.gz UYVVJRGGXUUOMO-AWEZNQCLSA-N 1 0 307.394 2.940 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000107686544 425999170 /nfs/dbraw/zinc/99/91/70/425999170.db2.gz ICQBPTQNXXYHTK-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO COc1ccc(CNCC[N@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000103716467 425953600 /nfs/dbraw/zinc/95/36/00/425953600.db2.gz QNPDXPIFGKVCIJ-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000074136919 426041534 /nfs/dbraw/zinc/04/15/34/426041534.db2.gz GJAWDOBOQPWHLS-AWEZNQCLSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC1CCC1 ZINC000111297080 426043564 /nfs/dbraw/zinc/04/35/64/426043564.db2.gz PNSFAVJVNFZWRK-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000111299373 426045316 /nfs/dbraw/zinc/04/53/16/426045316.db2.gz AQFOEWREEQENTM-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+](CCO)C1CCCCC1 ZINC000111303695 426045338 /nfs/dbraw/zinc/04/53/38/426045338.db2.gz UBVQMQYFLCLCKC-UHFFFAOYSA-N 1 0 308.378 2.601 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000111299372 426046387 /nfs/dbraw/zinc/04/63/87/426046387.db2.gz AQFOEWREEQENTM-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162508321 426067667 /nfs/dbraw/zinc/06/76/67/426067667.db2.gz IKIZPLQZFBFGHU-LSDHHAIUSA-N 1 0 307.394 2.561 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000075955109 426091219 /nfs/dbraw/zinc/09/12/19/426091219.db2.gz SQZBAQSCQVTDJS-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076059534 426096058 /nfs/dbraw/zinc/09/60/58/426096058.db2.gz SGGZVXWXWPCHHQ-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000128303536 426110816 /nfs/dbraw/zinc/11/08/16/426110816.db2.gz PXCYLJJBVOEPJN-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000113364794 426112477 /nfs/dbraw/zinc/11/24/77/426112477.db2.gz JPBRJWOHHOJCJW-AWEZNQCLSA-N 1 0 320.393 2.981 20 5 DFBDRO CCC1(CO)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000128364308 426114560 /nfs/dbraw/zinc/11/45/60/426114560.db2.gz OCANFPUFHYYSRR-UHFFFAOYSA-N 1 0 322.405 2.848 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113938319 426124408 /nfs/dbraw/zinc/12/44/08/426124408.db2.gz HQDPPWQVPYGTOV-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO CN(C)[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202458 426125882 /nfs/dbraw/zinc/12/58/82/426125882.db2.gz NMUSPTZZFPCPKA-FUHWJXTLSA-N 1 0 317.433 2.846 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CO[C@@H]1CCOC1 ZINC000166459067 426127129 /nfs/dbraw/zinc/12/71/29/426127129.db2.gz FUBICMNLVMUECB-KCQAQPDRSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1[N+](=O)[O-] ZINC000114140283 426127963 /nfs/dbraw/zinc/12/79/63/426127963.db2.gz SQVYIHNCFGECQE-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000077319162 426128179 /nfs/dbraw/zinc/12/81/79/426128179.db2.gz NALGLCZUMJJZTO-QWHCGFSZSA-N 1 0 305.378 2.678 20 5 DFBDRO CC(C)(C)C[N@H+](CCCO)CCOc1cccc([N+](=O)[O-])c1 ZINC000112567314 426082608 /nfs/dbraw/zinc/08/26/08/426082608.db2.gz WICXNUIVOIUEGK-UHFFFAOYSA-N 1 0 310.394 2.704 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134944413 426201282 /nfs/dbraw/zinc/20/12/82/426201282.db2.gz XESWIEDZDWTJCG-ZWNOBZJWSA-N 1 0 323.780 2.557 20 5 DFBDRO CCC[N@H+](CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-])C1CC1 ZINC000171682479 426204140 /nfs/dbraw/zinc/20/41/40/426204140.db2.gz RMILOKZHQYOQKH-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000114675243 426141189 /nfs/dbraw/zinc/14/11/89/426141189.db2.gz CZTSHGMHBIZKKF-VQHVLOKHSA-N 1 0 323.368 2.595 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)CC(C)C ZINC000114708704 426141893 /nfs/dbraw/zinc/14/18/93/426141893.db2.gz LPNXUUPQQDBOQT-ZDUSSCGKSA-N 1 0 311.430 2.805 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000132477718 426170497 /nfs/dbraw/zinc/17/04/97/426170497.db2.gz ZYSSBZKSLLWGGE-IUCAKERBSA-N 1 0 303.284 2.787 20 5 DFBDRO Cc1cc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000116129492 426180516 /nfs/dbraw/zinc/18/05/16/426180516.db2.gz VGKUETGVUNJTHI-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000171608020 426200234 /nfs/dbraw/zinc/20/02/34/426200234.db2.gz XYQSNENXENPKDB-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081584861 426224174 /nfs/dbraw/zinc/22/41/74/426224174.db2.gz GBJSJGKPFJERPS-ZDUSSCGKSA-N 1 0 309.385 2.898 20 5 DFBDRO CC[NH+](CC)CCSc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000136305299 426239143 /nfs/dbraw/zinc/23/91/43/426239143.db2.gz XLKGNQWDDBWDQW-UHFFFAOYSA-N 1 0 312.391 2.815 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000136298594 426239286 /nfs/dbraw/zinc/23/92/86/426239286.db2.gz VWBPXDNHTXVTEC-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(C)C ZINC000118833085 426246587 /nfs/dbraw/zinc/24/65/87/426246587.db2.gz FQWGHDRKAYUGCX-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000142083403 426257181 /nfs/dbraw/zinc/25/71/81/426257181.db2.gz KOJKCZIGIMXGBH-TUAOUCFPSA-N 1 0 323.393 2.955 20 5 DFBDRO CNC(=O)CC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000175027935 426274884 /nfs/dbraw/zinc/27/48/84/426274884.db2.gz CTCBUBFCGYFPRJ-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000119105014 426262490 /nfs/dbraw/zinc/26/24/90/426262490.db2.gz WZKVEITYIQNMQM-KGLIPLIRSA-N 1 0 308.378 2.749 20 5 DFBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174813606 426266694 /nfs/dbraw/zinc/26/66/94/426266694.db2.gz WPCRCPXWNKQHKC-MRXNPFEDSA-N 1 0 316.361 2.541 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(CCNc2ccccc2[N+](=O)[O-])n1 ZINC000339387517 268803630 /nfs/dbraw/zinc/80/36/30/268803630.db2.gz KNFWWKRPWJUGDO-LLVKDONJSA-N 1 0 319.365 2.678 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000089592849 426298257 /nfs/dbraw/zinc/29/82/57/426298257.db2.gz DVWWGDWIQVOTCY-KBPBESRZSA-N 1 0 319.405 2.955 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN(C)[C@H]1CCSC1 ZINC000121208281 426324981 /nfs/dbraw/zinc/32/49/81/426324981.db2.gz JNODJYPLJVQZLK-LBPRGKRZSA-N 1 0 323.418 2.587 20 5 DFBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559009 426327386 /nfs/dbraw/zinc/32/73/86/426327386.db2.gz PAWHPEWXVURYSP-ZFWWWQNUSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554033 426327878 /nfs/dbraw/zinc/32/78/78/426327878.db2.gz RCSUJAQIPSIDQW-GJZGRUSLSA-N 1 0 321.421 2.951 20 5 DFBDRO CC(C)(C)C[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090522348 426328271 /nfs/dbraw/zinc/32/82/71/426328271.db2.gz CJBUBMYWXMZSFS-ZDUSSCGKSA-N 1 0 307.394 2.657 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000175824913 426330283 /nfs/dbraw/zinc/33/02/83/426330283.db2.gz LMTZSLRMCJHIPA-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO COc1c(C)cnc(COc2ncc(C)cc2[N+](=O)[O-])c1C ZINC000175139441 426281348 /nfs/dbraw/zinc/28/13/48/426281348.db2.gz CNHFTSDLRPEVJG-UHFFFAOYSA-N 1 0 303.318 2.898 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cc2ccccc2o1 ZINC000175190252 426286597 /nfs/dbraw/zinc/28/65/97/426286597.db2.gz JMKBEPADMFKTPV-UHFFFAOYSA-N 1 0 300.318 2.670 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cn1ccnc1 ZINC000153608872 426394925 /nfs/dbraw/zinc/39/49/25/426394925.db2.gz ILSFSHSETSLDJQ-SNVBAGLBSA-N 1 0 322.752 2.511 20 5 DFBDRO CCCC[N@H+](C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000339794883 268891819 /nfs/dbraw/zinc/89/18/19/268891819.db2.gz ABKFPQJAHJSCIO-MRXNPFEDSA-N 1 0 324.425 2.587 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000091901389 426345224 /nfs/dbraw/zinc/34/52/24/426345224.db2.gz LJDNLKBIJCUHHK-YPMHNXCESA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152547611 426346106 /nfs/dbraw/zinc/34/61/06/426346106.db2.gz FWAKZYXVKBLGLM-INIZCTEOSA-N 1 0 313.357 2.952 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000152872416 426358253 /nfs/dbraw/zinc/35/82/53/426358253.db2.gz NOZIVEBPVZQOOH-PBHICJAKSA-N 1 0 320.389 2.865 20 5 DFBDRO [NH3+]CCCOC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000094073286 426360299 /nfs/dbraw/zinc/36/02/99/426360299.db2.gz DEKGTYCBSGEANZ-UHFFFAOYSA-N 1 0 313.785 2.582 20 5 DFBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000176262300 426366045 /nfs/dbraw/zinc/36/60/45/426366045.db2.gz MGGALJUUCBORGA-CYBMUJFWSA-N 1 0 304.350 2.920 20 5 DFBDRO C[N@H+](CCc1ccccn1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000153027606 426367028 /nfs/dbraw/zinc/36/70/28/426367028.db2.gz OYWUELOMCQBJIY-UHFFFAOYSA-N 1 0 312.329 2.806 20 5 DFBDRO CC(C)COC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153286152 426379092 /nfs/dbraw/zinc/37/90/92/426379092.db2.gz XUOZVNKJVZBZDW-QGZVFWFLSA-N 1 0 322.405 2.593 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122594642 426384162 /nfs/dbraw/zinc/38/41/62/426384162.db2.gz ISPDZGGQDJAQTD-CJNGLKHVSA-N 1 0 319.405 2.706 20 5 DFBDRO CCOC(=O)N[C@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000153975327 426416117 /nfs/dbraw/zinc/41/61/17/426416117.db2.gz FYUREFYIRCAXPO-AWEZNQCLSA-N 1 0 321.377 2.614 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cc(C)cn2)cc1[N+](=O)[O-] ZINC000154299787 426434317 /nfs/dbraw/zinc/43/43/17/426434317.db2.gz GSDFQKKFFCUSDE-ZDUSSCGKSA-N 1 0 318.377 2.849 20 5 DFBDRO Cc1cc(NCC2(CCO)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340778586 269011474 /nfs/dbraw/zinc/01/14/74/269011474.db2.gz NVOSMYWUKQFMDT-UHFFFAOYSA-N 1 0 315.373 2.838 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000340860411 269023382 /nfs/dbraw/zinc/02/33/82/269023382.db2.gz SEUBFOXHHDNFQI-GFCCVEGCSA-N 1 0 309.414 2.652 20 5 DFBDRO C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)c1ccc2c[nH+]cn2c1 ZINC000340968698 269029955 /nfs/dbraw/zinc/02/99/55/269029955.db2.gz GOFFYIFWCALHEP-LLVKDONJSA-N 1 0 322.324 2.834 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177220983 426455492 /nfs/dbraw/zinc/45/54/92/426455492.db2.gz QUTYUHUOFNJVQS-JOYOIKCWSA-N 1 0 323.780 2.603 20 5 DFBDRO COc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000098124491 426479886 /nfs/dbraw/zinc/47/98/86/426479886.db2.gz RVRZSPXMYZQFEA-CQSZACIVSA-N 1 0 309.410 2.669 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccn1 ZINC000124350393 426481976 /nfs/dbraw/zinc/48/19/76/426481976.db2.gz VNHPYYREKQPNSB-UHFFFAOYSA-N 1 0 301.346 2.543 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000186379140 426517089 /nfs/dbraw/zinc/51/70/89/426517089.db2.gz FNROIGUVSAPKOP-UHFFFAOYSA-N 1 0 317.389 2.542 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000288261400 426517092 /nfs/dbraw/zinc/51/70/92/426517092.db2.gz GNEVXLXPHIQLIQ-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177855479 426530469 /nfs/dbraw/zinc/53/04/69/426530469.db2.gz SNXPWHQNGCRHAJ-GFCCVEGCSA-N 1 0 323.393 2.910 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000186457416 426531294 /nfs/dbraw/zinc/53/12/94/426531294.db2.gz QEZFXSQZVFAURO-QWHCGFSZSA-N 1 0 321.377 2.785 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000264303040 426531848 /nfs/dbraw/zinc/53/18/48/426531848.db2.gz ABDXEYRAWDUFOW-UHFFFAOYSA-N 1 0 302.330 2.641 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177874991 426533514 /nfs/dbraw/zinc/53/35/14/426533514.db2.gz JMKGHPNGYLRGID-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1nc(C[C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000195517869 426533998 /nfs/dbraw/zinc/53/39/98/426533998.db2.gz ZILZDNRHYLAZFG-CYBMUJFWSA-N 1 0 316.361 2.741 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194730147 426491656 /nfs/dbraw/zinc/49/16/56/426491656.db2.gz XMRSTOMEJCMNRA-GFCCVEGCSA-N 1 0 319.386 2.634 20 5 DFBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177531983 426493102 /nfs/dbraw/zinc/49/31/02/426493102.db2.gz UFIXTWZPJJFSHL-CJNGLKHVSA-N 1 0 300.362 2.669 20 5 DFBDRO O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177545390 426493998 /nfs/dbraw/zinc/49/39/98/426493998.db2.gz OYRSLUCPDIFARM-BETUJISGSA-N 1 0 303.362 2.655 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186256364 426497946 /nfs/dbraw/zinc/49/79/46/426497946.db2.gz RBOCCPFWMFDDQI-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000186295494 426501262 /nfs/dbraw/zinc/50/12/62/426501262.db2.gz LPAVMKMIRVIAIV-CVEARBPZSA-N 1 0 320.389 2.659 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000264613217 426575728 /nfs/dbraw/zinc/57/57/28/426575728.db2.gz PYNHIWYXBMBNAL-HNNXBMFYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186688004 426579029 /nfs/dbraw/zinc/57/90/29/426579029.db2.gz PFABZTAGENGXBD-CABZTGNLSA-N 1 0 319.386 2.537 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264943133 426580109 /nfs/dbraw/zinc/58/01/09/426580109.db2.gz IBWGDHHKSKWVAZ-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000222087045 426581285 /nfs/dbraw/zinc/58/12/85/426581285.db2.gz UUODUQRARRXAJH-LBPRGKRZSA-N 1 0 323.393 2.988 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178285775 426599877 /nfs/dbraw/zinc/59/98/77/426599877.db2.gz ZZBPKCXBAHNGDI-GFCCVEGCSA-N 1 0 319.386 2.634 20 5 DFBDRO CC(C)(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280590486 426608910 /nfs/dbraw/zinc/60/89/10/426608910.db2.gz UEOPTOBFTDRYJZ-CYBMUJFWSA-N 1 0 307.394 2.515 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000178022184 426556880 /nfs/dbraw/zinc/55/68/80/426556880.db2.gz MSAGKWPGQAUPBJ-ZDUSSCGKSA-N 1 0 305.378 2.566 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c([N+](=O)[O-])c1 ZINC000280693285 426634880 /nfs/dbraw/zinc/63/48/80/426634880.db2.gz JNRHSTZQISINAP-KGLIPLIRSA-N 1 0 317.389 2.860 20 5 DFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178524105 426647447 /nfs/dbraw/zinc/64/74/47/426647447.db2.gz LISDSYVVSIKOKZ-AWEZNQCLSA-N 1 0 320.389 2.801 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273356634 426651149 /nfs/dbraw/zinc/65/11/49/426651149.db2.gz DPXDXCQEPXGQIL-GFCCVEGCSA-N 1 0 324.356 2.682 20 5 DFBDRO COc1ncccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000289419148 426651464 /nfs/dbraw/zinc/65/14/64/426651464.db2.gz BDLFSRARQMOVSA-UHFFFAOYSA-N 1 0 321.764 2.984 20 5 DFBDRO [NH3+]C[C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178568799 426655720 /nfs/dbraw/zinc/65/57/20/426655720.db2.gz UZRXTLSOONHBRJ-CYBMUJFWSA-N 1 0 305.381 2.809 20 5 DFBDRO CC[C@H]([NH2+]CCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178600316 426662284 /nfs/dbraw/zinc/66/22/84/426662284.db2.gz FMHWUWYEXOZNRM-INIZCTEOSA-N 1 0 321.421 2.746 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(F)(F)F ZINC000273420955 426662744 /nfs/dbraw/zinc/66/27/44/426662744.db2.gz QSRJHDLAIVWFAZ-RYUDHWBXSA-N 1 0 306.284 2.695 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280841942 426667444 /nfs/dbraw/zinc/66/74/44/426667444.db2.gz ASRGCWHTHJSAMZ-JSGCOSHPSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178654168 426670714 /nfs/dbraw/zinc/67/07/14/426670714.db2.gz XAPQNLPHMDEVSD-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000178682851 426674473 /nfs/dbraw/zinc/67/44/73/426674473.db2.gz SDJMJKBFNCMKJI-STQMWFEESA-N 1 0 307.394 2.809 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000273506026 426675901 /nfs/dbraw/zinc/67/59/01/426675901.db2.gz ZNGBMJDGNTVTRL-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686112 426676695 /nfs/dbraw/zinc/67/66/95/426676695.db2.gz RNHKCHODTLQGQP-OCCSQVGLSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178684917 426677029 /nfs/dbraw/zinc/67/70/29/426677029.db2.gz FPSFSMSJRFSTGY-RYUDHWBXSA-N 1 0 307.394 2.857 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])cc1)Cc1ccc([S@](C)=O)cc1 ZINC000178427376 426627575 /nfs/dbraw/zinc/62/75/75/426627575.db2.gz PMEHSEILZVPKEE-QFIPXVFZSA-N 1 0 318.398 2.964 20 5 DFBDRO CN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000227761072 426630253 /nfs/dbraw/zinc/63/02/53/426630253.db2.gz UBQALNQUDLBJDK-UHFFFAOYSA-N 1 0 309.366 2.551 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccsc1 ZINC000273568483 426689094 /nfs/dbraw/zinc/68/90/94/426689094.db2.gz CXKAMLIUWXIWSQ-CYBMUJFWSA-N 1 0 321.406 2.941 20 5 DFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000290164531 426706312 /nfs/dbraw/zinc/70/63/12/426706312.db2.gz PNQDZMMUKVMRLT-UHFFFAOYSA-N 1 0 323.393 2.916 20 5 DFBDRO CC(C)OCCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265910611 426708126 /nfs/dbraw/zinc/70/81/26/426708126.db2.gz XOZDIRUERSGQRI-UHFFFAOYSA-N 1 0 323.393 2.670 20 5 DFBDRO CCCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000178917294 426719523 /nfs/dbraw/zinc/71/95/23/426719523.db2.gz PHXJLSVQVOHOOG-LBPRGKRZSA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273600389 426694699 /nfs/dbraw/zinc/69/46/99/426694699.db2.gz JHRCEOBWORYZBH-CHWSQXEVSA-N 1 0 307.398 2.555 20 5 DFBDRO C[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000273612249 426696120 /nfs/dbraw/zinc/69/61/20/426696120.db2.gz RNLTYOMUZDZSRJ-BLLLJJGKSA-N 1 0 317.389 2.646 20 5 DFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188704542 426779528 /nfs/dbraw/zinc/77/95/28/426779528.db2.gz FIVBJGPWONKXEI-FNORWQNLSA-N 1 0 323.352 2.528 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266796080 426780237 /nfs/dbraw/zinc/78/02/37/426780237.db2.gz QNWOKYDVAJWZKS-CXAGYDPISA-N 1 0 300.358 2.849 20 5 DFBDRO COC(=O)CN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000179394656 426785951 /nfs/dbraw/zinc/78/59/51/426785951.db2.gz STIOZDDMDOJFEE-UHFFFAOYSA-N 1 0 320.370 2.928 20 5 DFBDRO COC(=O)CC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000281622147 426732923 /nfs/dbraw/zinc/73/29/23/426732923.db2.gz KHIAJAFVFPUQOL-GFCCVEGCSA-N 1 0 306.362 2.897 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245478575 426742882 /nfs/dbraw/zinc/74/28/82/426742882.db2.gz VPGBINCBNHFROG-DZGCQCFKSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000188928116 426800928 /nfs/dbraw/zinc/80/09/28/426800928.db2.gz GJTIIWHTSPYRBJ-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000188934212 426803172 /nfs/dbraw/zinc/80/31/72/426803172.db2.gz DAXQVNSNRRDDBB-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCC1 ZINC000179648630 426809876 /nfs/dbraw/zinc/80/98/76/426809876.db2.gz DRFJFYWFTUEONP-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO CC(=O)c1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764907 426833138 /nfs/dbraw/zinc/83/31/38/426833138.db2.gz KNTQNMAUARZJNP-MFKMUULPSA-N 1 0 303.362 2.835 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246458368 426834952 /nfs/dbraw/zinc/83/49/52/426834952.db2.gz MXECAUZICARAAN-HIFRSBDPSA-N 1 0 319.405 2.955 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000274559267 426791480 /nfs/dbraw/zinc/79/14/80/426791480.db2.gz YZXJGCFWVNGJBP-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000189680813 426923836 /nfs/dbraw/zinc/92/38/36/426923836.db2.gz WURJCEHGBLPZDP-UHFFFAOYSA-N 1 0 306.391 2.985 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)c1 ZINC000275539980 426866666 /nfs/dbraw/zinc/86/66/66/426866666.db2.gz MOHHYNMEZGYUDI-DLBZAZTESA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1ccn(CCN2CC[C@@H]2c2ccc(Cl)cc2)n1 ZINC000267301021 426868600 /nfs/dbraw/zinc/86/86/00/426868600.db2.gz CTZJUZVQNXMUQX-CYBMUJFWSA-N 1 0 306.753 2.892 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1OCCO)c1ccc([N+](=O)[O-])cc1 ZINC000305196722 426894353 /nfs/dbraw/zinc/89/43/53/426894353.db2.gz ZLXZIOXOJYRDDF-CYBMUJFWSA-N 1 0 316.357 2.817 20 5 DFBDRO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000275721201 426906390 /nfs/dbraw/zinc/90/63/90/426906390.db2.gz OJOKVRYVAHDAKJ-QGZVFWFLSA-N 1 0 317.389 2.570 20 5 DFBDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000189807375 426955037 /nfs/dbraw/zinc/95/50/37/426955037.db2.gz HEISLVCMJGBALR-OCCSQVGLSA-N 1 0 323.393 2.573 20 5 DFBDRO Cc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181503022 426955215 /nfs/dbraw/zinc/95/52/15/426955215.db2.gz KQTZXEDAYBNCHL-CQSZACIVSA-N 1 0 312.373 2.736 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000181547563 426960596 /nfs/dbraw/zinc/96/05/96/426960596.db2.gz ZDDDIJATUWIDSR-HNNXBMFYSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000189861936 426966057 /nfs/dbraw/zinc/96/60/57/426966057.db2.gz VJAPYVYLFMRSDT-KOLCDFICSA-N 1 0 306.284 2.867 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ncccc1[N+](=O)[O-] ZINC000268325178 426987779 /nfs/dbraw/zinc/98/77/79/426987779.db2.gz ODWGGSSMAMVECR-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C[NH+](C)C ZINC000291644601 426937647 /nfs/dbraw/zinc/93/76/47/426937647.db2.gz BKAPPWXKWIYHTH-QMMMGPOBSA-N 1 0 306.288 2.618 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000292017550 427059091 /nfs/dbraw/zinc/05/90/91/427059091.db2.gz WHBJPDSPZWSWMC-LLVKDONJSA-N 1 0 318.377 2.535 20 5 DFBDRO Cc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000268365327 426998112 /nfs/dbraw/zinc/99/81/12/426998112.db2.gz XSNJKYXBGXBCHR-ZIAGYGMSSA-N 1 0 322.409 2.600 20 5 DFBDRO C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248438465 427000909 /nfs/dbraw/zinc/00/09/09/427000909.db2.gz BUUUNOIIFOVSDW-RBSFLKMASA-N 1 0 322.405 2.703 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000291839673 427003331 /nfs/dbraw/zinc/00/33/31/427003331.db2.gz GPZZVLIXAFMEAE-JWAFFJSPSA-N 1 0 319.405 2.843 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295550782 427004063 /nfs/dbraw/zinc/00/40/63/427004063.db2.gz SEKDSNJXGHIDNZ-AWEZNQCLSA-N 1 0 308.378 2.586 20 5 DFBDRO CCC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470860 427005507 /nfs/dbraw/zinc/00/55/07/427005507.db2.gz VLCZNOZUGQMQKI-LSDHHAIUSA-N 1 0 322.405 2.847 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000182036639 427009474 /nfs/dbraw/zinc/00/94/74/427009474.db2.gz HQVFCPARQBBCRT-GJZGRUSLSA-N 1 0 322.409 2.509 20 5 DFBDRO NC(=O)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182025921 427009714 /nfs/dbraw/zinc/00/97/14/427009714.db2.gz JRYWNECULVYXFR-AWEZNQCLSA-N 1 0 305.378 2.509 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295571573 427011325 /nfs/dbraw/zinc/01/13/25/427011325.db2.gz REWTXMPFVQFKPP-AWEZNQCLSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000182215345 427027029 /nfs/dbraw/zinc/02/70/29/427027029.db2.gz XBCGGYTZDIMUIM-CYBMUJFWSA-N 1 0 319.405 2.846 20 5 DFBDRO COC(=O)c1ccc(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000295970220 427032505 /nfs/dbraw/zinc/03/25/05/427032505.db2.gz ILJXOQQWXLUOQU-JTQLQIEISA-N 1 0 304.302 2.825 20 5 DFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000182256985 427042200 /nfs/dbraw/zinc/04/22/00/427042200.db2.gz ZDFFNISMCQNIBH-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000248828824 427047185 /nfs/dbraw/zinc/04/71/85/427047185.db2.gz LBJQUDXIWNLIKF-AGGWBTHJSA-N 1 0 308.378 2.597 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000291986132 427047651 /nfs/dbraw/zinc/04/76/51/427047651.db2.gz UEQDZFAEOYWZPC-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO CS[C@@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042527 427053574 /nfs/dbraw/zinc/05/35/74/427053574.db2.gz AOGWSRZKICWSSA-VXGBXAGGSA-N 1 0 323.418 2.668 20 5 DFBDRO CCOCCOCCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000190252677 427053916 /nfs/dbraw/zinc/05/39/16/427053916.db2.gz UDMVGAZGPVNSMS-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO CC[N@H+](C)CCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292048009 427069509 /nfs/dbraw/zinc/06/95/09/427069509.db2.gz YHFPSJUGUDRESM-UHFFFAOYSA-N 1 0 320.176 2.583 20 5 DFBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000296090527 427073203 /nfs/dbraw/zinc/07/32/03/427073203.db2.gz HMBOYKAJMGFICZ-ARFHVFGLSA-N 1 0 322.405 2.810 20 5 DFBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000296094749 427073266 /nfs/dbraw/zinc/07/32/66/427073266.db2.gz YJCVIAMOQFEQBV-MNOVXSKESA-N 1 0 303.366 2.805 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292064147 427074687 /nfs/dbraw/zinc/07/46/87/427074687.db2.gz CXUIZOFSPAASLK-RHSMWYFYSA-N 1 0 303.406 2.992 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000276469696 427075863 /nfs/dbraw/zinc/07/58/63/427075863.db2.gz PACVVAMHTQUBES-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO C[C@@H](CCCC[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000292101196 427087537 /nfs/dbraw/zinc/08/75/37/427087537.db2.gz OLDIVCNCTKOFFO-LBPRGKRZSA-N 1 0 307.394 2.506 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897410 427094572 /nfs/dbraw/zinc/09/45/72/427094572.db2.gz CTODYAGEIGONFE-IINYFYTJSA-N 1 0 315.377 2.639 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@H]1c1ccccc1 ZINC000249259264 427101227 /nfs/dbraw/zinc/10/12/27/427101227.db2.gz GRLQAWZVRYABQD-DGCLKSJQSA-N 1 0 304.375 2.909 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182562388 427104449 /nfs/dbraw/zinc/10/44/49/427104449.db2.gz IADJIPZEVBNDMQ-VXGBXAGGSA-N 1 0 322.386 2.747 20 5 DFBDRO COCCO[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249383887 427108536 /nfs/dbraw/zinc/10/85/36/427108536.db2.gz PKZVRGLIXJOCTM-DZGCQCFKSA-N 1 0 308.378 2.702 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@H]2C1 ZINC000276661959 427116060 /nfs/dbraw/zinc/11/60/60/427116060.db2.gz SBMXHNVZHBRTAE-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000249520600 427121443 /nfs/dbraw/zinc/12/14/43/427121443.db2.gz LYXHNKSSTKNMPU-CXUGXGMPSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284036203 427121767 /nfs/dbraw/zinc/12/17/67/427121767.db2.gz JOJYFQJLSVUPCQ-XPTSAGLGSA-N 1 0 307.375 2.623 20 5 DFBDRO CCn1cc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000296241241 427122200 /nfs/dbraw/zinc/12/22/00/427122200.db2.gz XBCHCRFBXNTTRO-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C2)C1 ZINC000292187668 427123100 /nfs/dbraw/zinc/12/31/00/427123100.db2.gz RDAOVMHMUDBDSQ-HNNXBMFYSA-N 1 0 309.797 2.776 20 5 DFBDRO CC(=O)N(C)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182716746 427133028 /nfs/dbraw/zinc/13/30/28/427133028.db2.gz CNFZSYSDCJIMHA-ZDUSSCGKSA-N 1 0 319.405 2.907 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940856 427138537 /nfs/dbraw/zinc/13/85/37/427138537.db2.gz AGSKZFSZIPVWLW-CZUORRHYSA-N 1 0 307.369 2.650 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182763963 427140145 /nfs/dbraw/zinc/14/01/45/427140145.db2.gz GSHBOOHKKMNKFN-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO C[NH2+][C@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000269133886 427147459 /nfs/dbraw/zinc/14/74/59/427147459.db2.gz PLYDOMWZOGBRDF-AWEZNQCLSA-N 1 0 305.381 2.822 20 5 DFBDRO C[NH2+][C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000269133888 427148930 /nfs/dbraw/zinc/14/89/30/427148930.db2.gz PLYDOMWZOGBRDF-CQSZACIVSA-N 1 0 305.381 2.822 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c([N+](=O)[O-])cc1F ZINC000296338194 427152293 /nfs/dbraw/zinc/15/22/93/427152293.db2.gz RDDGWRRLIKKBEW-VQISRLSMSA-N 1 0 324.352 2.646 20 5 DFBDRO C[C@H]1COCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277301986 427157035 /nfs/dbraw/zinc/15/70/35/427157035.db2.gz CKSHNYJEBCETKX-XHDPSFHLSA-N 1 0 317.345 2.764 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000190659992 427157194 /nfs/dbraw/zinc/15/71/94/427157194.db2.gz LJUDTIZGTOSICC-GFCCVEGCSA-N 1 0 324.377 2.797 20 5 DFBDRO [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269273987 427157330 /nfs/dbraw/zinc/15/73/30/427157330.db2.gz NULDXLLERUYHGO-ZWNOBZJWSA-N 1 0 317.345 2.588 20 5 DFBDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277301977 427157946 /nfs/dbraw/zinc/15/79/46/427157946.db2.gz CKSHNYJEBCETKX-IAQYHMDHSA-N 1 0 317.345 2.764 20 5 DFBDRO Cc1ccc(C[C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174870395 271141137 /nfs/dbraw/zinc/14/11/37/271141137.db2.gz KTFXVRBJDWSTCT-AWEZNQCLSA-N 1 0 302.378 2.663 20 5 DFBDRO CC[NH+](CC)CCN(CCOC)c1ccc(F)cc1[N+](=O)[O-] ZINC000177046706 271173137 /nfs/dbraw/zinc/17/31/37/271173137.db2.gz REKBKMLFXCMLHA-UHFFFAOYSA-N 1 0 313.373 2.529 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000285391184 427216723 /nfs/dbraw/zinc/21/67/23/427216723.db2.gz DMALXEBDRFKXCV-OLZOCXBDSA-N 1 0 308.378 2.756 20 5 DFBDRO CCOCC[N@@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000252353141 427173703 /nfs/dbraw/zinc/17/37/03/427173703.db2.gz RZQCYUPROKCTLJ-LSDHHAIUSA-N 1 0 321.421 2.698 20 5 DFBDRO CCC[NH2+][C@@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296420747 427174546 /nfs/dbraw/zinc/17/45/46/427174546.db2.gz MPBXIPVJBGHCDA-JTQLQIEISA-N 1 0 313.785 2.595 20 5 DFBDRO COCc1noc([C@@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038345 427188246 /nfs/dbraw/zinc/18/82/46/427188246.db2.gz CJVBKCNFWYOJEC-VHSXEESVSA-N 1 0 306.322 2.536 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183051341 427189499 /nfs/dbraw/zinc/18/94/99/427189499.db2.gz QOTYMAUWCUDISE-RYUDHWBXSA-N 1 0 305.378 2.508 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183050196 427190284 /nfs/dbraw/zinc/19/02/84/427190284.db2.gz QBGDBGFGLLTIDY-QWRGUYRKSA-N 1 0 309.366 2.566 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCOCC(F)(F)C(F)F)cs1 ZINC000277418257 427198752 /nfs/dbraw/zinc/19/87/52/427198752.db2.gz ABRQKJJNSTYNSP-UHFFFAOYSA-N 1 0 316.276 2.663 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000190898091 427199215 /nfs/dbraw/zinc/19/92/15/427199215.db2.gz NWRUKIBSXBAHKA-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO Cc1nc(NCCC[N@@H+](C)C2CCCCC2)ncc1[N+](=O)[O-] ZINC000296524034 427211205 /nfs/dbraw/zinc/21/12/05/427211205.db2.gz MXHBPWFPTZICML-UHFFFAOYSA-N 1 0 307.398 2.760 20 5 DFBDRO COc1cccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000285395636 427220895 /nfs/dbraw/zinc/22/08/95/427220895.db2.gz SUALQOPRFBKFFD-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183207234 427223148 /nfs/dbraw/zinc/22/31/48/427223148.db2.gz WJRLQQQBOHPNJB-AWEZNQCLSA-N 1 0 306.362 2.678 20 5 DFBDRO CC(C)SCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338287767 427237462 /nfs/dbraw/zinc/23/74/62/427237462.db2.gz SHRVAIFWQBJRPC-LBPRGKRZSA-N 1 0 310.423 2.618 20 5 DFBDRO CC[C@](C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000269654149 427242167 /nfs/dbraw/zinc/24/21/67/427242167.db2.gz NSPUNXOGQHQTCJ-ZFWWWQNUSA-N 1 0 321.402 3.000 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000285472725 427242408 /nfs/dbraw/zinc/24/24/08/427242408.db2.gz QIDQPDLMXFLOFT-GFCCVEGCSA-N 1 0 323.368 2.599 20 5 DFBDRO COCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183340057 427250218 /nfs/dbraw/zinc/25/02/18/427250218.db2.gz GLZHVCZJQAOFLC-UHFFFAOYSA-N 1 0 308.378 2.531 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330569368 427267195 /nfs/dbraw/zinc/26/71/95/427267195.db2.gz MBJYWJHFAJGNMX-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO CCCCCNC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345121 427267827 /nfs/dbraw/zinc/26/78/27/427267827.db2.gz DXWWTLRUWLFMLO-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO CCC(CC)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345186 427269378 /nfs/dbraw/zinc/26/93/78/427269378.db2.gz FUIOPYSQHHWYQW-CYBMUJFWSA-N 1 0 321.421 2.762 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CC1(O)CCC1 ZINC000338221470 271528826 /nfs/dbraw/zinc/52/88/26/271528826.db2.gz RAJFADQNANDEJP-DZGCQCFKSA-N 1 0 304.390 2.811 20 5 DFBDRO CCc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293298182 427276454 /nfs/dbraw/zinc/27/64/54/427276454.db2.gz KQEHHLSCNXRHKP-INIZCTEOSA-N 1 0 314.389 2.843 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000183481210 427277687 /nfs/dbraw/zinc/27/76/87/427277687.db2.gz IZSASHWNFVKRDA-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000285592835 427283430 /nfs/dbraw/zinc/28/34/30/427283430.db2.gz WAGYYLSJNBXMKR-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000270334091 427324045 /nfs/dbraw/zinc/32/40/45/427324045.db2.gz MJJBDCXPTNRZPC-UHFFFAOYSA-N 1 0 303.362 2.884 20 5 DFBDRO CCc1nocc1CN(C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000293452528 427328176 /nfs/dbraw/zinc/32/81/76/427328176.db2.gz PMUBAUIZDWFRHM-UHFFFAOYSA-N 1 0 305.334 2.656 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000297121713 427336901 /nfs/dbraw/zinc/33/69/01/427336901.db2.gz JZMPLBGYFVIROE-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261713391 427338823 /nfs/dbraw/zinc/33/88/23/427338823.db2.gz LHWORYDBZQMMSR-CQSZACIVSA-N 1 0 317.389 2.507 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000261911739 427343495 /nfs/dbraw/zinc/34/34/95/427343495.db2.gz QIWPWQOPPZFXBP-NILFDRSVSA-N 1 0 312.373 2.707 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000183810845 427344320 /nfs/dbraw/zinc/34/43/20/427344320.db2.gz UNTDFCGZIYIMSL-UHFFFAOYSA-N 1 0 313.423 2.850 20 5 DFBDRO C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C[NH3+] ZINC000261989131 427348082 /nfs/dbraw/zinc/34/80/82/427348082.db2.gz BGWJONIXBWFBFS-DGCLKSJQSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1cccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c1[N+](=O)[O-] ZINC000277695287 427288292 /nfs/dbraw/zinc/28/82/92/427288292.db2.gz RAYIHASUFCDHFL-AWEZNQCLSA-N 1 0 307.394 2.816 20 5 DFBDRO Cc1cccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000277695291 427288887 /nfs/dbraw/zinc/28/88/87/427288887.db2.gz RAYIHASUFCDHFL-CQSZACIVSA-N 1 0 307.394 2.816 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000285624222 427291377 /nfs/dbraw/zinc/29/13/77/427291377.db2.gz QUSVCQNPPVMEAM-CYBMUJFWSA-N 1 0 318.295 2.874 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@]2(O)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000269850755 427291914 /nfs/dbraw/zinc/29/19/14/427291914.db2.gz XVBQSTQZQYBCOA-GOSISDBHSA-N 1 0 312.369 2.827 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000183580270 427295950 /nfs/dbraw/zinc/29/59/50/427295950.db2.gz JBDJDDGRHJQWKQ-MBNYWOFBSA-N 1 0 306.362 2.581 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262953430 427385558 /nfs/dbraw/zinc/38/55/58/427385558.db2.gz JWPHXDIECMXORK-SGIREYDYSA-N 1 0 305.378 2.680 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000331271057 427386276 /nfs/dbraw/zinc/38/62/76/427386276.db2.gz MYLAVQKWKACNEM-CJNGLKHVSA-N 1 0 322.405 2.975 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000271050409 427387518 /nfs/dbraw/zinc/38/75/18/427387518.db2.gz SVBFYLDNNJHUHQ-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000285975121 427390794 /nfs/dbraw/zinc/39/07/94/427390794.db2.gz WURUYJKBDJHPOS-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285976368 427391294 /nfs/dbraw/zinc/39/12/94/427391294.db2.gz FBAOPEOHSOLRBN-OCCSQVGLSA-N 1 0 323.418 2.797 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](O)C3)s2)cc1 ZINC000271083179 427397988 /nfs/dbraw/zinc/39/79/88/427397988.db2.gz JTCRRRLOFMUHBK-ZDUSSCGKSA-N 1 0 304.371 2.890 20 5 DFBDRO CCOc1cccc(N(C)C[C@@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000184129285 427398459 /nfs/dbraw/zinc/39/84/59/427398459.db2.gz BWXNYKXEFQJIBD-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000293698971 427407193 /nfs/dbraw/zinc/40/71/93/427407193.db2.gz LWSIJFUWXSSWJG-DOTOQJQBSA-N 1 0 304.390 2.931 20 5 DFBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710499 427410328 /nfs/dbraw/zinc/41/03/28/427410328.db2.gz LXDNBWORPQSUFK-PXAZEXFGSA-N 1 0 315.373 2.870 20 5 DFBDRO COCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000271119042 427411022 /nfs/dbraw/zinc/41/10/22/427411022.db2.gz IUFSTWMCARZUFJ-VMPITWQZSA-N 1 0 308.378 2.593 20 5 DFBDRO CCOc1cc(CN2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000331151810 427357118 /nfs/dbraw/zinc/35/71/18/427357118.db2.gz IJQWOYBSCYRCKL-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331191051 427366855 /nfs/dbraw/zinc/36/68/55/427366855.db2.gz QYBAOYSIYAFJLC-CHWSQXEVSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@H](C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183971240 427367375 /nfs/dbraw/zinc/36/73/75/427367375.db2.gz GBEBAJMKURNBRV-RISCZKNCSA-N 1 0 321.402 2.820 20 5 DFBDRO CC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000338712927 427450481 /nfs/dbraw/zinc/45/04/81/427450481.db2.gz ZLUQYWYJJYHLJW-XQRVVYSFSA-N 1 0 317.389 2.645 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231715 427460101 /nfs/dbraw/zinc/46/01/01/427460101.db2.gz ZFGMCXCJJLROCY-QRTARXTBSA-N 1 0 322.405 2.644 20 5 DFBDRO COC(=O)c1coc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000278837178 427468955 /nfs/dbraw/zinc/46/89/55/427468955.db2.gz UNNFVWICQDMYNF-LLVKDONJSA-N 1 0 318.329 2.868 20 5 DFBDRO C[C@@H]([NH2+]CCN1CCC(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293866921 427471757 /nfs/dbraw/zinc/47/17/57/427471757.db2.gz USSOHRBGXVCCSR-CYBMUJFWSA-N 1 0 306.410 2.560 20 5 DFBDRO CC[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000338765640 427475264 /nfs/dbraw/zinc/47/52/64/427475264.db2.gz DPOCWOYBRNZUBM-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271298301 427488690 /nfs/dbraw/zinc/48/86/90/427488690.db2.gz UBWRJGPQLPEMOI-GXSJLCMTSA-N 1 0 316.304 2.853 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000286279753 427479105 /nfs/dbraw/zinc/47/91/05/427479105.db2.gz HZLPAMSFGJRABS-IUODEOHRSA-N 1 0 317.389 2.860 20 5 DFBDRO CO[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000338776695 427482200 /nfs/dbraw/zinc/48/22/00/427482200.db2.gz LQXBIVJUQIUICE-INIZCTEOSA-N 1 0 301.346 2.710 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184575566 427493910 /nfs/dbraw/zinc/49/39/10/427493910.db2.gz AJBURFOWIJEQMI-LBPRGKRZSA-N 1 0 306.318 2.544 20 5 DFBDRO COc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1[N+](=O)[O-] ZINC000286347189 427500205 /nfs/dbraw/zinc/50/02/05/427500205.db2.gz MHLGHZBCRHMVQO-OLZOCXBDSA-N 1 0 305.378 2.666 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)[nH]1 ZINC000271337822 427500711 /nfs/dbraw/zinc/50/07/11/427500711.db2.gz NXODRXSBLXDMAX-CQSZACIVSA-N 1 0 315.377 2.709 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000271344046 427501337 /nfs/dbraw/zinc/50/13/37/427501337.db2.gz DODFQQFMGCJKJS-SWLSCSKDSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184611170 427501946 /nfs/dbraw/zinc/50/19/46/427501946.db2.gz ITNFONDQAWAURI-IUODEOHRSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184611155 427502031 /nfs/dbraw/zinc/50/20/31/427502031.db2.gz ITNFONDQAWAURI-SWLSCSKDSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1noc([C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332083392 427505076 /nfs/dbraw/zinc/50/50/76/427505076.db2.gz OVQPBVFAUJDUNV-MFKMUULPSA-N 1 0 302.334 2.837 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCCCO ZINC000278959912 427513903 /nfs/dbraw/zinc/51/39/03/427513903.db2.gz WQVCRUJTEHVDHW-UHFFFAOYSA-N 1 0 310.394 2.976 20 5 DFBDRO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332170363 427529944 /nfs/dbraw/zinc/52/99/44/427529944.db2.gz YACSMFHDUWUHHL-CYBMUJFWSA-N 1 0 300.362 2.626 20 5 DFBDRO COc1cccc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC000286443494 427531384 /nfs/dbraw/zinc/53/13/84/427531384.db2.gz RMXGEUJQHGVKRF-FUNVUKJBSA-N 1 0 305.378 2.665 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000271462612 427546325 /nfs/dbraw/zinc/54/63/25/427546325.db2.gz HNEFFLHTYQPLIF-JFUSQASVSA-N 1 0 306.284 2.947 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000287454365 427616419 /nfs/dbraw/zinc/61/64/19/427616419.db2.gz VUCJFSNWSHUFJB-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000298465089 427616825 /nfs/dbraw/zinc/61/68/25/427616825.db2.gz RXSRMSGEUAOUGY-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000332523772 427619012 /nfs/dbraw/zinc/61/90/12/427619012.db2.gz QVXYKOJLJCJTGH-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192839509 427622046 /nfs/dbraw/zinc/62/20/46/427622046.db2.gz IPMSIERORKSLOV-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000263756861 427560734 /nfs/dbraw/zinc/56/07/34/427560734.db2.gz QNXWOTIJPSDBJG-OAHLLOKOSA-N 1 0 319.405 2.723 20 5 DFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000298295553 427561087 /nfs/dbraw/zinc/56/10/87/427561087.db2.gz UJJNLRZTQAIAKI-KRWDZBQOSA-N 1 0 300.358 2.630 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271509747 427567341 /nfs/dbraw/zinc/56/73/41/427567341.db2.gz NAZJCVWXFPCWAN-SKDRFNHKSA-N 1 0 306.284 2.867 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000263972939 427623369 /nfs/dbraw/zinc/62/33/69/427623369.db2.gz XXIPQEBPRYCTEM-UHFFFAOYSA-N 1 0 321.421 2.766 20 5 DFBDRO Cc1cnc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000185040923 427588025 /nfs/dbraw/zinc/58/80/25/427588025.db2.gz DRAXQDFTDSSFSE-GXFFZTMASA-N 1 0 307.375 2.744 20 5 DFBDRO CC[N@H+](CCNc1ncnc2sc([N+](=O)[O-])cc21)C(C)C ZINC000342098991 271942595 /nfs/dbraw/zinc/94/25/95/271942595.db2.gz SLRHWOGKZDREMB-UHFFFAOYSA-N 1 0 309.395 2.742 20 5 DFBDRO O=C(C[N@@H+]1CCC[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000263999383 427630564 /nfs/dbraw/zinc/63/05/64/427630564.db2.gz NENQEDXPIYOTSS-AWEZNQCLSA-N 1 0 303.362 2.798 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn(CC(F)F)c1 ZINC000294747800 427648092 /nfs/dbraw/zinc/64/80/92/427648092.db2.gz RGECWFFYFVBXNK-UHFFFAOYSA-N 1 0 324.331 2.731 20 5 DFBDRO CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1c(C)nn(C)c1C ZINC000339086052 427669037 /nfs/dbraw/zinc/66/90/37/427669037.db2.gz VNGHWDGNISPJEV-CQSZACIVSA-N 1 0 318.377 2.892 20 5 DFBDRO COCC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000339085038 427670520 /nfs/dbraw/zinc/67/05/20/427670520.db2.gz OAVNXGCYUNIVBM-ZDUSSCGKSA-N 1 0 306.318 2.761 20 5 DFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000343066947 272082070 /nfs/dbraw/zinc/08/20/70/272082070.db2.gz JDBYZOPOCHUGBF-WDEREUQCSA-N 1 0 311.407 2.649 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000343446122 272148633 /nfs/dbraw/zinc/14/86/33/272148633.db2.gz LWGCXYWMUHLIQP-KBPBESRZSA-N 1 0 319.405 2.733 20 5 DFBDRO CCC1(CC)CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000343623125 272186120 /nfs/dbraw/zinc/18/61/20/272186120.db2.gz XLIGDOKUSROZCG-CQSZACIVSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1cc(N2CC([N@H+](C)Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000343633464 272189446 /nfs/dbraw/zinc/18/94/46/272189446.db2.gz TVDIHUHCDXUUFR-UHFFFAOYSA-N 1 0 312.373 2.619 20 5 DFBDRO CC(C)[C@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343693940 272202773 /nfs/dbraw/zinc/20/27/73/272202773.db2.gz PKGDGORNPGSVGT-LBPRGKRZSA-N 1 0 321.377 2.869 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344045604 272252719 /nfs/dbraw/zinc/25/27/19/272252719.db2.gz JYTSNVQMFQCQDN-MAZHCROVSA-N 1 0 320.389 2.585 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344056699 272253078 /nfs/dbraw/zinc/25/30/78/272253078.db2.gz JZRKGZAJCMWGGS-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344172981 272280053 /nfs/dbraw/zinc/28/00/53/272280053.db2.gz PIYNHUQCCCLSAV-VBNZEHGJSA-N 1 0 304.390 2.931 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344217236 272289936 /nfs/dbraw/zinc/28/99/36/272289936.db2.gz QRJMNUQCBLHEBS-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344220770 272290870 /nfs/dbraw/zinc/29/08/70/272290870.db2.gz WQZHTLGCDWKKNS-UHFFFAOYSA-N 1 0 323.368 2.679 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000344266552 272301021 /nfs/dbraw/zinc/30/10/21/272301021.db2.gz KDGZBCZLDBSZHO-SNVBAGLBSA-N 1 0 316.304 2.712 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000344363614 272321057 /nfs/dbraw/zinc/32/10/57/272321057.db2.gz DSRPHQNDLQCBPB-AWEZNQCLSA-N 1 0 316.304 2.712 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC3(O)CCC3)o2)c1 ZINC000344383610 272324248 /nfs/dbraw/zinc/32/42/48/272324248.db2.gz PBPVZMVCNFDKJI-UHFFFAOYSA-N 1 0 302.330 2.859 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])nc1 ZINC000344422694 272329363 /nfs/dbraw/zinc/32/93/63/272329363.db2.gz RFVJGZIVSBPFHL-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344424667 272329569 /nfs/dbraw/zinc/32/95/69/272329569.db2.gz VAYLFNXNXZVPRR-GUTXKFCHSA-N 1 0 304.394 2.831 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000344424668 272329747 /nfs/dbraw/zinc/32/97/47/272329747.db2.gz VAYLFNXNXZVPRR-NFAWXSAZSA-N 1 0 304.394 2.831 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CN1CCCC1=O ZINC000344796191 272370815 /nfs/dbraw/zinc/37/08/15/272370815.db2.gz SRTYQHJZXSFLOG-KADHNRKRSA-N 1 0 317.389 2.599 20 5 DFBDRO CCc1nc(CC[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)no1 ZINC000344830185 272375494 /nfs/dbraw/zinc/37/54/94/272375494.db2.gz RGTXHMQHJHRYAC-FMIVXFBMSA-N 1 0 316.361 2.776 20 5 DFBDRO CSC[C@@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344857214 272377421 /nfs/dbraw/zinc/37/74/21/272377421.db2.gz FXCWWLMFBYQIGQ-XCHKQJEOSA-N 1 0 310.419 2.702 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295113651 427697694 /nfs/dbraw/zinc/69/76/94/427697694.db2.gz MBPPZTJBCJZPJX-KRWDZBQOSA-N 1 0 318.348 2.736 20 5 DFBDRO Cc1cc(NC(=O)NC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000193621282 427703830 /nfs/dbraw/zinc/70/38/30/427703830.db2.gz KUBWLKNNMYWVBQ-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272335853 427712118 /nfs/dbraw/zinc/71/21/18/427712118.db2.gz AYPGOYOTWRIXBE-LLVKDONJSA-N 1 0 322.365 2.670 20 5 DFBDRO CCc1nn(C)c(NCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000301351902 427790799 /nfs/dbraw/zinc/79/07/99/427790799.db2.gz KNHMZFXKRGRNTQ-GFCCVEGCSA-N 1 0 309.414 2.567 20 5 DFBDRO Cc1cc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301065119 427772704 /nfs/dbraw/zinc/77/27/04/427772704.db2.gz DLYXDPWQEKFTDP-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1 ZINC000301066617 427773293 /nfs/dbraw/zinc/77/32/93/427773293.db2.gz GTMUUKMSYIRWNZ-INIZCTEOSA-N 1 0 307.394 2.754 20 5 DFBDRO C[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000301100355 427775217 /nfs/dbraw/zinc/77/52/17/427775217.db2.gz HUXCGLMGYSCPTR-UHFFFAOYSA-N 1 0 323.422 2.980 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+]1CCc2ccccc2C1 ZINC000301186350 427780725 /nfs/dbraw/zinc/78/07/25/427780725.db2.gz KBCAGNUCFFBNRI-UHFFFAOYSA-N 1 0 312.373 2.768 20 5 DFBDRO CC[N@H+](C)CCNc1cc(C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301270709 427786072 /nfs/dbraw/zinc/78/60/72/427786072.db2.gz XNVSCCPHPLXDJL-UHFFFAOYSA-N 1 0 315.377 2.724 20 5 DFBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)CC1 ZINC000301288925 427787103 /nfs/dbraw/zinc/78/71/03/427787103.db2.gz MVPKAWNXQBODTG-UHFFFAOYSA-N 1 0 304.394 2.691 20 5 DFBDRO CC(=O)c1cc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288025489 427730657 /nfs/dbraw/zinc/73/06/57/427730657.db2.gz WRWRGJGYIVMUAD-XHDPSFHLSA-N 1 0 305.378 2.938 20 5 DFBDRO C[C@@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301334254 427790098 /nfs/dbraw/zinc/79/00/98/427790098.db2.gz FQJUMRZFTRSGQC-SECBINFHSA-N 1 0 311.411 2.692 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000299108350 427751804 /nfs/dbraw/zinc/75/18/04/427751804.db2.gz WEPKIIIZWZYBIQ-MNOVXSKESA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000336793778 427752119 /nfs/dbraw/zinc/75/21/19/427752119.db2.gz YICINDXXXSTGQD-SECBINFHSA-N 1 0 316.199 2.967 20 5 DFBDRO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301376212 427792150 /nfs/dbraw/zinc/79/21/50/427792150.db2.gz VXEVKNUJUIDBIF-LXZKKBNFSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1cc(N2CCC(C[NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301428485 427795662 /nfs/dbraw/zinc/79/56/62/427795662.db2.gz IPOQGWCBXXTFHL-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO COCC[NH+]1CCC(CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301434298 427796753 /nfs/dbraw/zinc/79/67/53/427796753.db2.gz ILECOODPFBVYMZ-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000339616822 427802380 /nfs/dbraw/zinc/80/23/80/427802380.db2.gz MHNHUVAEHDKDID-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000301596929 427807878 /nfs/dbraw/zinc/80/78/78/427807878.db2.gz GLXATEUGKBCPRS-NOZJJQNGSA-N 1 0 317.311 3.000 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000345876230 272548879 /nfs/dbraw/zinc/54/88/79/272548879.db2.gz DHIKFLXJJZGUMX-NEPJUHHUSA-N 1 0 306.366 2.541 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339685381 427811741 /nfs/dbraw/zinc/81/17/41/427811741.db2.gz ZPHDOHCIEKVTPS-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO CCOc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660376 427813498 /nfs/dbraw/zinc/81/34/98/427813498.db2.gz CMEOVPWEMIQXDQ-HIFRSBDPSA-N 1 0 319.405 2.914 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000339728884 427818223 /nfs/dbraw/zinc/81/82/23/427818223.db2.gz FJTHTQBSESBNPN-MRXNPFEDSA-N 1 0 322.405 2.750 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000301822578 427826908 /nfs/dbraw/zinc/82/69/08/427826908.db2.gz HGJBXORQGGXVAW-ZBFHGGJFSA-N 1 0 316.336 2.986 20 5 DFBDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405870 427841061 /nfs/dbraw/zinc/84/10/61/427841061.db2.gz WDXDBYMCJFZKNK-ZIAGYGMSSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359432587 427850709 /nfs/dbraw/zinc/85/07/09/427850709.db2.gz WIEHCIBXEVQOTA-SJORKVTESA-N 1 0 322.405 2.813 20 5 DFBDRO Cc1cc(N2CC[C@H](O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302555208 427854300 /nfs/dbraw/zinc/85/43/00/427854300.db2.gz XPMFVLVXCOYHMV-QFYYESIMSA-N 1 0 301.346 2.659 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000345679987 427855540 /nfs/dbraw/zinc/85/55/40/427855540.db2.gz MWUPQBZVPQSNAR-CYBMUJFWSA-N 1 0 319.405 2.619 20 5 DFBDRO CC(C)[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000337395006 427885068 /nfs/dbraw/zinc/88/50/68/427885068.db2.gz IPONARKQAFRRNE-CQSZACIVSA-N 1 0 306.341 2.954 20 5 DFBDRO CC(C)[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304253829 427922080 /nfs/dbraw/zinc/92/20/80/427922080.db2.gz YUARQJHGWBIKCT-AWEZNQCLSA-N 1 0 321.402 2.825 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000359457421 427860324 /nfs/dbraw/zinc/86/03/24/427860324.db2.gz NLGXPTIIFCMBBO-BETUJISGSA-N 1 0 313.357 2.506 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340150325 427938289 /nfs/dbraw/zinc/93/82/89/427938289.db2.gz HRWVNMVOWGIXNR-MJBXVCDLSA-N 1 0 304.394 2.831 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C34CCC[NH+]3CCC4)n2)cc1 ZINC000351180426 428026916 /nfs/dbraw/zinc/02/69/16/428026916.db2.gz IAOVVKGBHRMITR-UHFFFAOYSA-N 1 0 300.318 2.730 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000359839871 428039909 /nfs/dbraw/zinc/03/99/09/428039909.db2.gz RCJXSOBBXGYUDX-LBPRGKRZSA-N 1 0 309.414 2.652 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369582911 428008402 /nfs/dbraw/zinc/00/84/02/428008402.db2.gz FPWNCJUWIJZYMV-BZUAXINKSA-N 1 0 320.389 2.719 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000346192584 428061567 /nfs/dbraw/zinc/06/15/67/428061567.db2.gz PJSWYBZQGMLXES-LSDHHAIUSA-N 1 0 321.421 2.778 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H](CO)C[NH+]2CCCCC2)c(Cl)c1 ZINC000346097179 428017045 /nfs/dbraw/zinc/01/70/45/428017045.db2.gz CCMWEIBZYXXWJB-LLVKDONJSA-N 1 0 313.785 2.507 20 5 DFBDRO Cc1cccc([C@]2(F)CCN(CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000377150888 428072006 /nfs/dbraw/zinc/07/20/06/428072006.db2.gz BOBYSRTVZWMRSA-INIZCTEOSA-N 1 0 318.352 2.670 20 5 DFBDRO COc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] ZINC000341466484 428076211 /nfs/dbraw/zinc/07/62/11/428076211.db2.gz QZXOKWLCFFUAJA-VXGBXAGGSA-N 1 0 308.378 2.897 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccc([N+](=O)[O-])s1 ZINC000377235599 428087618 /nfs/dbraw/zinc/08/76/18/428087618.db2.gz CPELRDUJMLHRFJ-UHFFFAOYSA-N 1 0 317.370 2.708 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000341542396 428099313 /nfs/dbraw/zinc/09/93/13/428099313.db2.gz JQXHAGYXAKFVCY-NWDGAFQWSA-N 1 0 323.368 2.727 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000356286971 428105047 /nfs/dbraw/zinc/10/50/47/428105047.db2.gz SQKBRZMAAAAAGN-XHDPSFHLSA-N 1 0 323.368 2.536 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412790 428124327 /nfs/dbraw/zinc/12/43/27/428124327.db2.gz OUWGMLAOWQZGQO-TZMCWYRMSA-N 1 0 300.362 2.916 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000359893589 428063935 /nfs/dbraw/zinc/06/39/35/428063935.db2.gz BNBWURARKHSJGH-HOTGVXAUSA-N 1 0 324.384 2.558 20 5 DFBDRO CC[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000352366101 428133911 /nfs/dbraw/zinc/13/39/11/428133911.db2.gz BEJPLNINSCHORG-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DFBDRO CC[C@@H](CNc1nc2ccccc2cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000352366100 428134034 /nfs/dbraw/zinc/13/40/34/428134034.db2.gz BEJPLNINSCHORG-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCN(C(C)C)C(=O)C1 ZINC000356345095 428134314 /nfs/dbraw/zinc/13/43/14/428134314.db2.gz AFSQGHGLDSKVAQ-CYBMUJFWSA-N 1 0 305.378 2.517 20 5 DFBDRO Cc1cc(N(C)CC[NH+](C)C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360065389 428140658 /nfs/dbraw/zinc/14/06/58/428140658.db2.gz HTELNXBBGBDQTB-UHFFFAOYSA-N 1 0 305.300 2.920 20 5 DFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000352543869 428144706 /nfs/dbraw/zinc/14/47/06/428144706.db2.gz KVDQARBZBSGBID-INIZCTEOSA-N 1 0 305.422 2.944 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000370201986 428156317 /nfs/dbraw/zinc/15/63/17/428156317.db2.gz RBPSZTVKTDDRLQ-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@H]1C[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620682 428173349 /nfs/dbraw/zinc/17/33/49/428173349.db2.gz HAKRZJJAFYRCLP-QWHCGFSZSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000370415835 428207108 /nfs/dbraw/zinc/20/71/08/428207108.db2.gz PCUBWJICLJXJHX-MRXNPFEDSA-N 1 0 300.362 2.974 20 5 DFBDRO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC(C)C ZINC000346571642 428221503 /nfs/dbraw/zinc/22/15/03/428221503.db2.gz CYVJTGQTCAEHLV-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000370516112 428228936 /nfs/dbraw/zinc/22/89/36/428228936.db2.gz AFSVMYKXWBRMDX-YJBOKZPZSA-N 1 0 312.369 2.980 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccc(Cl)cc3)CC2)n1 ZINC000341873832 428237270 /nfs/dbraw/zinc/23/72/70/428237270.db2.gz GXXFEUFULMHKQS-UHFFFAOYSA-N 1 0 306.753 2.724 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766030 428187266 /nfs/dbraw/zinc/18/72/66/428187266.db2.gz FAOXSOWQWNURGP-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H]1C ZINC000346671894 428266760 /nfs/dbraw/zinc/26/67/60/428266760.db2.gz WCGJCEWEBRTIAO-SGMGOOAPSA-N 1 0 306.362 2.848 20 5 DFBDRO Cc1occc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000414393189 428284429 /nfs/dbraw/zinc/28/44/29/428284429.db2.gz HENSLYZROADLBK-ZDUSSCGKSA-N 1 0 302.334 2.578 20 5 DFBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352776849 428241774 /nfs/dbraw/zinc/24/17/74/428241774.db2.gz DYXJGJILKVFRDK-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352779681 428244215 /nfs/dbraw/zinc/24/42/15/428244215.db2.gz QGHYPZDCTSYGNR-HNNXBMFYSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000370582083 428245704 /nfs/dbraw/zinc/24/57/04/428245704.db2.gz CKVRFWNMDANJKZ-UHFFFAOYSA-N 1 0 309.385 2.898 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000352780722 428246935 /nfs/dbraw/zinc/24/69/35/428246935.db2.gz VFCDKOGDAOCBHH-ZDUSSCGKSA-N 1 0 316.361 2.706 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)O1 ZINC000331740869 273587667 /nfs/dbraw/zinc/58/76/67/273587667.db2.gz APEHAGXRHCYIRX-CYBMUJFWSA-N 1 0 318.377 2.907 20 5 DFBDRO CC(C)[C@]1(CO)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000378128647 428315054 /nfs/dbraw/zinc/31/50/54/428315054.db2.gz KHNLSJLJDCBRNG-QQOXCAACSA-N 1 0 304.390 2.948 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1CCCC2 ZINC000342149684 428322262 /nfs/dbraw/zinc/32/22/62/428322262.db2.gz GGOGUQFRQWKBSI-RHSMWYFYSA-N 1 0 318.373 2.760 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342156912 428328311 /nfs/dbraw/zinc/32/83/11/428328311.db2.gz PVKIVDGHCCVTCH-IUODEOHRSA-N 1 0 324.402 2.822 20 5 DFBDRO [NH3+]C1(c2noc(-c3c[nH]c4cc([N+](=O)[O-])ccc34)n2)CCCC1 ZINC000414614914 428356217 /nfs/dbraw/zinc/35/62/17/428356217.db2.gz HTBWXFYLJPUXCU-UHFFFAOYSA-N 1 0 313.317 2.854 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414567397 428344934 /nfs/dbraw/zinc/34/49/34/428344934.db2.gz YBLFCLHHFNSPDU-HOCLYGCPSA-N 1 0 322.405 2.595 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@@H+](CCO)C3CCCCC3)nc2c1 ZINC000356879916 428344963 /nfs/dbraw/zinc/34/49/63/428344963.db2.gz RFEWXOJICNVGFZ-UHFFFAOYSA-N 1 0 318.377 2.598 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C3CCOCC3)C2)c1 ZINC000371062994 428349367 /nfs/dbraw/zinc/34/93/67/428349367.db2.gz FSBMDMLJIWRVQK-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO COc1ccc(CC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)cc1 ZINC000353008364 428349880 /nfs/dbraw/zinc/34/98/80/428349880.db2.gz RTKAHQQGBDVTCM-UHFFFAOYSA-N 1 0 313.357 2.599 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378404827 428388433 /nfs/dbraw/zinc/38/84/33/428388433.db2.gz PWNPYOXHMAPEDG-YOENINGUSA-N 1 0 317.389 2.645 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000371752950 428402564 /nfs/dbraw/zinc/40/25/64/428402564.db2.gz LMJGCKMVHYOFSN-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(/C=C(\C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414639875 428364126 /nfs/dbraw/zinc/36/41/26/428364126.db2.gz FWPXQMKRJUJXQL-RJCSOLBVSA-N 1 0 302.334 2.689 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048606 428369713 /nfs/dbraw/zinc/36/97/13/428369713.db2.gz VJNITKNFMVXHTB-RISCZKNCSA-N 1 0 311.813 2.721 20 5 DFBDRO CCOc1cccc(N2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000273866231 273708983 /nfs/dbraw/zinc/70/89/83/273708983.db2.gz NFXKBQQCCKUARF-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000342256845 428372021 /nfs/dbraw/zinc/37/20/21/428372021.db2.gz XBMVPTKVMQCSMK-VFXHQOSVSA-N 1 0 304.390 2.996 20 5 DFBDRO C[C@H]1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682025 428373233 /nfs/dbraw/zinc/37/32/33/428373233.db2.gz XKCFXQMOXWDWIX-UONOGXRCSA-N 1 0 303.406 2.947 20 5 DFBDRO Cc1c(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000414705980 428381462 /nfs/dbraw/zinc/38/14/62/428381462.db2.gz OAUPTIVGNSVPCN-GFCCVEGCSA-N 1 0 308.382 2.740 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc3ccccc3c3cccnc23)CCC1 ZINC000342614496 428436321 /nfs/dbraw/zinc/43/63/21/428436321.db2.gz FESRTCNQUFURSP-UHFFFAOYSA-N 1 0 305.381 2.999 20 5 DFBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347089341 428439916 /nfs/dbraw/zinc/43/99/16/428439916.db2.gz DSARFPVJBFEBFN-LBPRGKRZSA-N 1 0 301.346 2.778 20 5 DFBDRO C[C@H](C[NH3+])NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414922656 428460843 /nfs/dbraw/zinc/46/08/43/428460843.db2.gz CTVUIMDHZBBUIU-CYBMUJFWSA-N 1 0 314.389 2.800 20 5 DFBDRO C[C@@H](C[NH3+])NCc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414937061 428462108 /nfs/dbraw/zinc/46/21/08/428462108.db2.gz CTVUIMDHZBBUIU-ZDUSSCGKSA-N 1 0 314.389 2.800 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CCC[NH2+]3)o2)c1 ZINC000414822004 428424916 /nfs/dbraw/zinc/42/49/16/428424916.db2.gz DFZJQHMDCHAWRX-ZDUSSCGKSA-N 1 0 301.346 2.696 20 5 DFBDRO COc1cc(C[N@H+]([C@@H](C)CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000347179675 428482249 /nfs/dbraw/zinc/48/22/49/428482249.db2.gz ZKUGKXJCUPWOOH-LBPRGKRZSA-N 1 0 308.378 2.729 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000360901767 428485476 /nfs/dbraw/zinc/48/54/76/428485476.db2.gz OZKAEBHIIPKOOG-VXGBXAGGSA-N 1 0 309.414 2.794 20 5 DFBDRO COc1ccc(C[N@H+]([C@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000347197283 428488357 /nfs/dbraw/zinc/48/83/57/428488357.db2.gz LDZWBVRFSNJMGW-GFCCVEGCSA-N 1 0 308.378 2.729 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000357359652 428498425 /nfs/dbraw/zinc/49/84/25/428498425.db2.gz ZVMIWKDNRSSYAI-UHFFFAOYSA-N 1 0 305.378 2.576 20 5 DFBDRO C[NH+](C)C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000397820517 428511258 /nfs/dbraw/zinc/51/12/58/428511258.db2.gz UHOSDEOQXQOZAP-UHFFFAOYSA-N 1 0 304.272 2.515 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347253803 428513616 /nfs/dbraw/zinc/51/36/16/428513616.db2.gz BKLPIKYTOULQGM-SNVBAGLBSA-N 1 0 312.345 2.586 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000343076806 428518143 /nfs/dbraw/zinc/51/81/43/428518143.db2.gz MWNHNTOWHYGXHU-QWHCGFSZSA-N 1 0 305.378 2.588 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347267371 428520349 /nfs/dbraw/zinc/52/03/49/428520349.db2.gz PWFGXGIFYDVWBF-SNVBAGLBSA-N 1 0 312.345 2.586 20 5 DFBDRO C[C@@H]1[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000357300114 428471063 /nfs/dbraw/zinc/47/10/63/428471063.db2.gz DVRLXZAWCOORQQ-ZDUSSCGKSA-N 1 0 308.378 2.863 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414958612 428472496 /nfs/dbraw/zinc/47/24/96/428472496.db2.gz PHCKONYQQQDYQF-IUODEOHRSA-N 1 0 315.373 2.942 20 5 DFBDRO Cc1cc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000415437969 428582152 /nfs/dbraw/zinc/58/21/52/428582152.db2.gz PLYQEVJMXBURDH-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415487639 428589377 /nfs/dbraw/zinc/58/93/77/428589377.db2.gz UEJLVGJWSBYYRI-ZWNOBZJWSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415487748 428589557 /nfs/dbraw/zinc/58/95/57/428589557.db2.gz UOCVOUIQGVPHBC-CYBMUJFWSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000415506739 428590333 /nfs/dbraw/zinc/59/03/33/428590333.db2.gz RWCZTUDBXKMSPH-HNNXBMFYSA-N 1 0 308.382 2.788 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415499188 428590553 /nfs/dbraw/zinc/59/05/53/428590553.db2.gz JSVDMIDVNXJIHZ-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1cc(C)c([N+](=O)[O-])cn1)c1ccco1 ZINC000343251818 428541091 /nfs/dbraw/zinc/54/10/91/428541091.db2.gz PNEDNZAPOYFILT-CHWSQXEVSA-N 1 0 318.377 3.433 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)CC[C@H]1C ZINC000353450993 428543178 /nfs/dbraw/zinc/54/31/78/428543178.db2.gz VHHWNAGJNWITDZ-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415252034 428555105 /nfs/dbraw/zinc/55/51/05/428555105.db2.gz AQJZEVXYMVBRTE-NEPJUHHUSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415299600 428564841 /nfs/dbraw/zinc/56/48/41/428564841.db2.gz QIZOONSOFKHLKG-QWHCGFSZSA-N 1 0 320.393 2.851 20 5 DFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCCC1 ZINC000343741746 428570695 /nfs/dbraw/zinc/57/06/95/428570695.db2.gz GOZOTTDJRWJBCG-UHFFFAOYSA-N 1 0 319.361 2.767 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344014261 428606048 /nfs/dbraw/zinc/60/60/48/428606048.db2.gz WKRFKCXPCLQVCQ-DGCLKSJQSA-N 1 0 303.362 2.654 20 5 DFBDRO Cn1cc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000353628285 428627121 /nfs/dbraw/zinc/62/71/21/428627121.db2.gz HSIFFKGHXNCTCD-INIZCTEOSA-N 1 0 300.362 2.538 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)[nH+]1 ZINC000344432248 428642353 /nfs/dbraw/zinc/64/23/53/428642353.db2.gz GVMMENZXNZPUFG-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO COc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000268795073 274096989 /nfs/dbraw/zinc/09/69/89/274096989.db2.gz BLHDJZBTWHKNCS-DGCLKSJQSA-N 1 0 323.368 2.663 20 5 DFBDRO CC(C)(CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000358738769 428651174 /nfs/dbraw/zinc/65/11/74/428651174.db2.gz BIGMENLRQWJNFF-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2cc(C)c([N+](=O)[O-])cn2)CC1 ZINC000348185355 428645837 /nfs/dbraw/zinc/64/58/37/428645837.db2.gz VIFBCBLGZUFRIJ-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192886081 274184256 /nfs/dbraw/zinc/18/42/56/274184256.db2.gz HTXJLEOGADBMHO-VCTAVGKDSA-N 1 0 310.419 2.674 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063193125 274238604 /nfs/dbraw/zinc/23/86/04/274238604.db2.gz PWCUQFUJWPUQLF-SKDRFNHKSA-N 1 0 311.769 2.590 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000181807951 274246878 /nfs/dbraw/zinc/24/68/78/274246878.db2.gz XNXCKWYZGSHRRB-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO COCC1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000358756203 428659951 /nfs/dbraw/zinc/65/99/51/428659951.db2.gz XDFJBWSSQKKVJX-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000245898763 274303550 /nfs/dbraw/zinc/30/35/50/274303550.db2.gz KVLCOVJMNNAQFX-XJKCOSOUSA-N 1 0 317.389 2.678 20 5 DFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000302539870 274351976 /nfs/dbraw/zinc/35/19/76/274351976.db2.gz SJCOWZLBEHDHTH-JKIFEVAISA-N 1 0 319.405 2.673 20 5 DFBDRO C[C@@H]1CN(c2cc(Br)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251551060 274361232 /nfs/dbraw/zinc/36/12/32/274361232.db2.gz BFQFPUPHRXCPJP-PSASIEDQSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086471294 274362546 /nfs/dbraw/zinc/36/25/46/274362546.db2.gz RWNAFMHTYZISAO-RKDXNWHRSA-N 1 0 314.183 2.544 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000286025425 274386729 /nfs/dbraw/zinc/38/67/29/274386729.db2.gz ARCGKADGBKZMFB-ZJUUUORDSA-N 1 0 321.406 2.518 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000290805232 274394809 /nfs/dbraw/zinc/39/48/09/274394809.db2.gz QIVBIIZTRFCUBG-NXEZZACHSA-N 1 0 301.350 2.508 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1ccnc1C ZINC000344842350 428710864 /nfs/dbraw/zinc/71/08/64/428710864.db2.gz AZFJCLLNNUQOEF-RAXLEYEMSA-N 1 0 300.362 2.793 20 5 DFBDRO CSC[C@@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344840311 428711294 /nfs/dbraw/zinc/71/12/94/428711294.db2.gz ZVXBQSDFTJTHSL-ICDLMJIXSA-N 1 0 310.419 2.702 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NC(C)(C)C ZINC000344864097 428716628 /nfs/dbraw/zinc/71/66/28/428716628.db2.gz RINAKDPGIVNUQU-RAXLEYEMSA-N 1 0 319.405 2.893 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)C ZINC000353733830 428682557 /nfs/dbraw/zinc/68/25/57/428682557.db2.gz BPFNTXZEDOWQQB-CYBMUJFWSA-N 1 0 324.377 2.671 20 5 DFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000348480588 428756732 /nfs/dbraw/zinc/75/67/32/428756732.db2.gz RFVQXWYRSZWIGL-OAHLLOKOSA-N 1 0 323.393 2.574 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348541723 428778503 /nfs/dbraw/zinc/77/85/03/428778503.db2.gz XZLSWNCLLQOHBN-CMPLNLGQSA-N 1 0 316.304 2.724 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cccc1[N+](=O)[O-] ZINC000348697850 428815857 /nfs/dbraw/zinc/81/58/57/428815857.db2.gz NJPPIWLKTUHEKG-HIFRSBDPSA-N 1 0 315.373 2.725 20 5 DFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3ccsc3)CC2)nc1 ZINC000375203319 428821960 /nfs/dbraw/zinc/82/19/60/428821960.db2.gz UZDVYBAASFOSIK-UHFFFAOYSA-N 1 0 319.390 2.523 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1[NH+](C)C ZINC000301607328 274594394 /nfs/dbraw/zinc/59/43/94/274594394.db2.gz NSXLJZFQRYIFJF-TVQRCGJNSA-N 1 0 317.311 3.000 20 5 DFBDRO CCNC(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000362986900 428833688 /nfs/dbraw/zinc/83/36/88/428833688.db2.gz OMBQBKRHMDPUSB-YVMONPNESA-N 1 0 317.389 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H]1CC1(C)C ZINC000411686858 428841637 /nfs/dbraw/zinc/84/16/37/428841637.db2.gz LLWAUBQOORYTQL-CQSZACIVSA-N 1 0 321.377 2.662 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026689 428843981 /nfs/dbraw/zinc/84/39/81/428843981.db2.gz LJDYEHJOJHYGGS-VXGBXAGGSA-N 1 0 323.780 2.605 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000412021327 428910333 /nfs/dbraw/zinc/91/03/33/428910333.db2.gz LZPHVPTWTPDLLC-JTQLQIEISA-N 1 0 304.350 2.518 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375328511 428856826 /nfs/dbraw/zinc/85/68/26/428856826.db2.gz NXQOYASVNMPMAQ-TZMCWYRMSA-N 1 0 301.350 2.503 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417138232 428858914 /nfs/dbraw/zinc/85/89/14/428858914.db2.gz NPMMIHUMTLRRLS-SLEUVZQESA-N 1 0 320.393 2.567 20 5 DFBDRO COc1ccc(CN(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000348894179 428869347 /nfs/dbraw/zinc/86/93/47/428869347.db2.gz NOQCTKGJJLZQBO-UHFFFAOYSA-N 1 0 309.410 2.623 20 5 DFBDRO [NH3+]CCN(Cc1ccc(F)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348895716 428869812 /nfs/dbraw/zinc/86/98/12/428869812.db2.gz RQOOGOBAELDXCZ-UHFFFAOYSA-N 1 0 307.300 2.838 20 5 DFBDRO Cc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000348893724 428870267 /nfs/dbraw/zinc/87/02/67/428870267.db2.gz LVEWCZHTPYQFCG-UHFFFAOYSA-N 1 0 315.373 2.883 20 5 DFBDRO C[C@]1(C[NH3+])CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261768353 274650637 /nfs/dbraw/zinc/65/06/37/274650637.db2.gz VRHUUXOFXGGVGN-GFCCVEGCSA-N 1 0 303.284 2.789 20 5 DFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1C ZINC000348924107 428879366 /nfs/dbraw/zinc/87/93/66/428879366.db2.gz VAWLRRPIMUYYNY-UHFFFAOYSA-N 1 0 315.373 2.877 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000418138793 428887372 /nfs/dbraw/zinc/88/73/72/428887372.db2.gz STKSGZVQKSJICB-LQPUYASZSA-N 1 0 311.332 2.537 20 5 DFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000345437188 428887648 /nfs/dbraw/zinc/88/76/48/428887648.db2.gz AYOKXYVMHUVCPI-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CCCN(c3ccccn3)C2)s1 ZINC000375597472 428919697 /nfs/dbraw/zinc/91/96/97/428919697.db2.gz KRWVUNDVOZPPMA-JTQLQIEISA-N 1 0 305.363 2.527 20 5 DFBDRO Cc1cc(N2CCC[C@H]2C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235840284 274705984 /nfs/dbraw/zinc/70/59/84/274705984.db2.gz ABWFHHCUIYNHTR-VIFPVBQESA-N 1 0 314.183 2.593 20 5 DFBDRO O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363525834 428934675 /nfs/dbraw/zinc/93/46/75/428934675.db2.gz SQRHJIMOKHFYOV-INIZCTEOSA-N 1 0 317.389 2.572 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000375664770 428934756 /nfs/dbraw/zinc/93/47/56/428934756.db2.gz JOPJDMFSNIJKNZ-QZTJIDSGSA-N 1 0 312.369 2.727 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420210988 428947167 /nfs/dbraw/zinc/94/71/67/428947167.db2.gz WSAVAULYDKUMMS-YPMHNXCESA-N 1 0 318.402 3.258 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587436 428947513 /nfs/dbraw/zinc/94/75/13/428947513.db2.gz NOENDGMCNGPVOS-ILXRZTDVSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420242642 428950628 /nfs/dbraw/zinc/95/06/28/428950628.db2.gz PFJIOVLRLVYQSL-GXFFZTMASA-N 1 0 318.402 3.128 20 5 DFBDRO COCCN(CC[NH+](C)C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349327153 428961762 /nfs/dbraw/zinc/96/17/62/428961762.db2.gz FPVSXFBWSDMWRB-UHFFFAOYSA-N 1 0 323.437 2.728 20 5 DFBDRO Cc1nc([C@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375766836 428965683 /nfs/dbraw/zinc/96/56/83/428965683.db2.gz YENOVPBRJUELEJ-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@]4(CCOC4)C3)nc2c1 ZINC000451909844 429016277 /nfs/dbraw/zinc/01/62/77/429016277.db2.gz XOINAPDTQYPJRQ-MRXNPFEDSA-N 1 0 317.345 2.739 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433284920 429017634 /nfs/dbraw/zinc/01/76/34/429017634.db2.gz HEVNGUSLZKIDRG-LRDDRELGSA-N 1 0 317.389 2.528 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913531 429018764 /nfs/dbraw/zinc/01/87/64/429018764.db2.gz SUGYKSMDVNUBHR-AAEUAGOBSA-N 1 0 318.295 2.648 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000375987919 429034738 /nfs/dbraw/zinc/03/47/38/429034738.db2.gz WPTONUXWBUMANA-ZIAGYGMSSA-N 1 0 300.362 2.754 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000421747239 429025928 /nfs/dbraw/zinc/02/59/28/429025928.db2.gz BLZJFOQKUZUTNN-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000354331294 428973151 /nfs/dbraw/zinc/97/31/51/428973151.db2.gz CSYXLGKDEMLWQX-DOMZBBRYSA-N 1 0 308.378 2.898 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[S@](=O)C[C@@H](C)C1 ZINC000433020429 428979600 /nfs/dbraw/zinc/97/96/00/428979600.db2.gz CIORYXGZUKFCJD-XQQVPVODSA-N 1 0 322.430 2.699 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000423619172 428983457 /nfs/dbraw/zinc/98/34/57/428983457.db2.gz HZEAKEHTYOWGTK-QWRGUYRKSA-N 1 0 323.418 2.577 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423626604 428985154 /nfs/dbraw/zinc/98/51/54/428985154.db2.gz SQUSUKGECODEDT-WCQYABFASA-N 1 0 305.378 2.589 20 5 DFBDRO CCn1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1=O ZINC000433050169 428987939 /nfs/dbraw/zinc/98/79/39/428987939.db2.gz AEVPXXWNICGZBD-CYBMUJFWSA-N 1 0 315.373 2.936 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000421398184 428994202 /nfs/dbraw/zinc/99/42/02/428994202.db2.gz GELNHUSITKRFGW-CYBMUJFWSA-N 1 0 308.378 2.577 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000423692583 428997184 /nfs/dbraw/zinc/99/71/84/428997184.db2.gz CPLBYEKKPRUXAE-SNVBAGLBSA-N 1 0 311.769 2.510 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1ccccc1F)CC2 ZINC000433251707 429014665 /nfs/dbraw/zinc/01/46/65/429014665.db2.gz HXRZFFSLPOOYMP-UHFFFAOYSA-N 1 0 301.321 2.730 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000423471088 429093042 /nfs/dbraw/zinc/09/30/42/429093042.db2.gz PPKGOUHSQJMZMK-MNOVXSKESA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452006919 429038634 /nfs/dbraw/zinc/03/86/34/429038634.db2.gz MNKUMXWSOMXGOL-GFCCVEGCSA-N 1 0 305.378 2.821 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000421881282 429043412 /nfs/dbraw/zinc/04/34/12/429043412.db2.gz OYQKNRNQRUYNKQ-KGLIPLIRSA-N 1 0 319.405 2.812 20 5 DFBDRO O=[N+]([O-])c1c(NC[C@H]2CCCC[N@@H+]2C2CC2)nc2sccn21 ZINC000433821569 429053310 /nfs/dbraw/zinc/05/33/10/429053310.db2.gz PLQWDKUAIPAMLI-LLVKDONJSA-N 1 0 321.406 2.733 20 5 DFBDRO CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452119933 429063139 /nfs/dbraw/zinc/06/31/39/429063139.db2.gz QKEWGSTYCYZTSV-OAHLLOKOSA-N 1 0 321.421 2.908 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452120434 429064464 /nfs/dbraw/zinc/06/44/64/429064464.db2.gz RFXQRVHLLNULBG-HNNXBMFYSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1[N+](=O)[O-] ZINC000376160765 429068280 /nfs/dbraw/zinc/06/82/80/429068280.db2.gz DVXSJUVPZIGHLY-AYRXBEOTSA-N 1 0 317.389 2.563 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423383785 429079434 /nfs/dbraw/zinc/07/94/34/429079434.db2.gz FGCVLLZVHGDHBX-DYEKYZERSA-N 1 0 307.394 2.642 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000424272331 429117900 /nfs/dbraw/zinc/11/79/00/429117900.db2.gz QITVJJAYUMTCPO-NMWPEEMBSA-N 1 0 320.389 2.897 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@@H]2C1 ZINC000376484445 429120860 /nfs/dbraw/zinc/12/08/60/429120860.db2.gz NEVOHOHBELWMAW-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO COC(=O)CC1CC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000424303389 429123431 /nfs/dbraw/zinc/12/34/31/429123431.db2.gz NUDYUIDBBFXRGV-DCBWTQNWSA-N 1 0 306.362 2.896 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000424327335 429126668 /nfs/dbraw/zinc/12/66/68/429126668.db2.gz ZBQYCWYJWPBRTR-OOIBXKBGSA-N 1 0 304.390 2.931 20 5 DFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645806 429138603 /nfs/dbraw/zinc/13/86/03/429138603.db2.gz DJKSYAJACYONRL-OCCSQVGLSA-N 1 0 314.769 2.532 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000364041778 429162459 /nfs/dbraw/zinc/16/24/59/429162459.db2.gz MPULHKWOGHFLFT-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000320702344 275034329 /nfs/dbraw/zinc/03/43/29/275034329.db2.gz OJNPLAAWESYHKG-UWVGGRQHSA-N 1 0 319.390 2.638 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000276582656 275034451 /nfs/dbraw/zinc/03/44/51/275034451.db2.gz IRXYOOXZTIDUIA-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCN1CCSCC1)CCC2 ZINC000278889820 275037829 /nfs/dbraw/zinc/03/78/29/275037829.db2.gz YLMSJCQWNWXGIP-INIZCTEOSA-N 1 0 321.446 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nccn3C1)CCC2 ZINC000373028675 275038481 /nfs/dbraw/zinc/03/84/81/275038481.db2.gz KQSQTAXZSHTNCD-CZUORRHYSA-N 1 0 312.373 2.773 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nccn3C1)CCC2 ZINC000373028676 275038605 /nfs/dbraw/zinc/03/86/05/275038605.db2.gz KQSQTAXZSHTNCD-XJKSGUPXSA-N 1 0 312.373 2.773 20 5 DFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(Cl)c1 ZINC000301367272 275041219 /nfs/dbraw/zinc/04/12/19/275041219.db2.gz RFXZAEUYBGDWRH-JKOKRWQUSA-N 1 0 322.796 2.564 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](C2CCC2)CC1 ZINC000291787662 275041775 /nfs/dbraw/zinc/04/17/75/275041775.db2.gz DATBDNGMPWRXCR-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746588 429194370 /nfs/dbraw/zinc/19/43/70/429194370.db2.gz NKYYYPVJVBENQF-WDMOLILDSA-N 1 0 324.812 2.810 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186726010 275399758 /nfs/dbraw/zinc/39/97/58/275399758.db2.gz RKPSBHFQOMNKGV-OUKQBFOZSA-N 1 0 317.389 2.551 20 5 DFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495479087 429213373 /nfs/dbraw/zinc/21/33/73/429213373.db2.gz GYYDMQYRXLLXKP-GXTWGEPZSA-N 1 0 321.377 2.551 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495595537 429228690 /nfs/dbraw/zinc/22/86/90/429228690.db2.gz HZHLBHSSHXILKG-GFCCVEGCSA-N 1 0 321.377 2.818 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@H]1C ZINC000488762572 429197749 /nfs/dbraw/zinc/19/77/49/429197749.db2.gz DJYUIFNSMMJMDN-CHWSQXEVSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@H]1CC1(C)C ZINC000489437451 429242151 /nfs/dbraw/zinc/24/21/51/429242151.db2.gz ZGMJWXPZCLAPKR-AWEZNQCLSA-N 1 0 305.378 2.962 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000456159754 429252250 /nfs/dbraw/zinc/25/22/50/429252250.db2.gz HCCJVJOQFLQPFN-AAEUAGOBSA-N 1 0 320.393 2.551 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000364724519 429257842 /nfs/dbraw/zinc/25/78/42/429257842.db2.gz XQKVAZXYHUTRLX-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC[C@H]2Cn2cccn2)cc1 ZINC000364742397 429260104 /nfs/dbraw/zinc/26/01/04/429260104.db2.gz KSVDINKGNCSMTM-KRWDZBQOSA-N 1 0 314.389 2.889 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425356007 429275225 /nfs/dbraw/zinc/27/52/25/429275225.db2.gz NAVLBZHKDWKHRT-YRBHFNIASA-N 1 0 313.361 2.606 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490165719 429280893 /nfs/dbraw/zinc/28/08/93/429280893.db2.gz PYAGUGXBOUJPHE-AWEZNQCLSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2CC2)CC1 ZINC000449070789 429323396 /nfs/dbraw/zinc/32/33/96/429323396.db2.gz LICHZMFKXYLRIO-CYBMUJFWSA-N 1 0 303.406 2.742 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(N(C)C)nc1 ZINC000449073936 429324643 /nfs/dbraw/zinc/32/46/43/429324643.db2.gz JSTCWMMDJSWXBL-ZDUSSCGKSA-N 1 0 314.389 2.777 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC[C@@H]1C ZINC000449079288 429324816 /nfs/dbraw/zinc/32/48/16/429324816.db2.gz OHMWVDAMISZCBM-CABCVRRESA-N 1 0 305.422 2.990 20 5 DFBDRO CC[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078918 429326141 /nfs/dbraw/zinc/32/61/41/429326141.db2.gz WUMBYSXSWXWOAS-HOCLYGCPSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000449082972 429327849 /nfs/dbraw/zinc/32/78/49/429327849.db2.gz RHIOFLPPLUBANN-UNEWFSDZSA-N 1 0 303.406 2.742 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000449082969 429327994 /nfs/dbraw/zinc/32/79/94/429327994.db2.gz RHIOFLPPLUBANN-FRFSOERESA-N 1 0 303.406 2.742 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000449095056 429331640 /nfs/dbraw/zinc/33/16/40/429331640.db2.gz VXMPJPPLCWSEAU-UYHISHBKSA-N 1 0 312.369 2.774 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC12CCCC2 ZINC000365513864 429332454 /nfs/dbraw/zinc/33/24/54/429332454.db2.gz LPUBJEPKMWJMIM-CQSZACIVSA-N 1 0 320.389 2.743 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449129724 429339914 /nfs/dbraw/zinc/33/99/14/429339914.db2.gz WDASLANEDKKVRJ-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCn3ccnc3C2)c1 ZINC000365550859 429340573 /nfs/dbraw/zinc/34/05/73/429340573.db2.gz SRFLABXDGDNRIU-LLVKDONJSA-N 1 0 320.780 2.797 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000449140634 429342058 /nfs/dbraw/zinc/34/20/58/429342058.db2.gz JMOHVLYZLWOBCE-WBMJQRKESA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1sc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000365410064 429315184 /nfs/dbraw/zinc/31/51/84/429315184.db2.gz NBOQQCGYINAIMR-UHFFFAOYSA-N 1 0 323.418 2.711 20 5 DFBDRO Cc1cc(C2=CC[N@H+](CCC(C)(C)O)CC2)cc([N+](=O)[O-])c1N ZINC000365887260 429395566 /nfs/dbraw/zinc/39/55/66/429395566.db2.gz VPCPQTDQBFOHBH-UHFFFAOYSA-N 1 0 319.405 2.736 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@H]1CC ZINC000449421322 429410964 /nfs/dbraw/zinc/41/09/64/429410964.db2.gz LHIOBRJFLLFLSR-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000517757815 429397629 /nfs/dbraw/zinc/39/76/29/429397629.db2.gz VVAYOMANOUMJJK-UONOGXRCSA-N 1 0 317.389 2.520 20 5 DFBDRO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426511054 429398571 /nfs/dbraw/zinc/39/85/71/429398571.db2.gz YEBWNHBDQUPXJC-QXSWTLKVSA-N 1 0 320.389 2.735 20 5 DFBDRO COc1nccc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)n1 ZINC000449372272 429399632 /nfs/dbraw/zinc/39/96/32/429399632.db2.gz FJYMICKJIDDRLQ-WQLSENKSSA-N 1 0 314.345 2.587 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)c1ccccc1 ZINC000449168513 429348283 /nfs/dbraw/zinc/34/82/83/429348283.db2.gz DPMQIPSQXAVGQB-YOEHRIQHSA-N 1 0 314.385 2.892 20 5 DFBDRO Cn1ccnc1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631406 429354304 /nfs/dbraw/zinc/35/43/04/429354304.db2.gz QQDGSXFRRYVHMA-HNNXBMFYSA-N 1 0 314.389 2.750 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194634 429354426 /nfs/dbraw/zinc/35/44/26/429354426.db2.gz VAURTIBPDHEAAS-FMKPAKJESA-N 1 0 305.422 2.844 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513825424 429362887 /nfs/dbraw/zinc/36/28/87/429362887.db2.gz CAWYPLGPCBZZMD-VNQPRFMTSA-N 1 0 306.406 2.913 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000514743436 429370710 /nfs/dbraw/zinc/37/07/10/429370710.db2.gz QVMWCZIFOBYTNF-SNVBAGLBSA-N 1 0 315.320 2.727 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CCO ZINC000426230175 429374300 /nfs/dbraw/zinc/37/43/00/429374300.db2.gz KFYNYLAHALQFQX-AWEZNQCLSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[N@H+](CCNc1nccc(C)c1[N+](=O)[O-])CCC(F)(F)F ZINC000491575380 429377145 /nfs/dbraw/zinc/37/71/45/429377145.db2.gz ZWSLCUHKYBRANI-UHFFFAOYSA-N 1 0 320.315 2.984 20 5 DFBDRO Cn1nccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506158 429438687 /nfs/dbraw/zinc/43/86/87/429438687.db2.gz YLHVBRRFOWSPHM-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO Cc1ccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448669 429454068 /nfs/dbraw/zinc/45/40/68/429454068.db2.gz DFXVXIWPALDABA-RHSMWYFYSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000427839249 429473525 /nfs/dbraw/zinc/47/35/25/429473525.db2.gz DHDJXIANUGFWSR-OLZOCXBDSA-N 1 0 300.362 2.765 20 5 DFBDRO CC(C)c1ccc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000449676375 429475942 /nfs/dbraw/zinc/47/59/42/429475942.db2.gz GRPWZRSJVNYXGD-CZUORRHYSA-N 1 0 322.405 2.690 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2ccnc2C1 ZINC000427862216 429476028 /nfs/dbraw/zinc/47/60/28/429476028.db2.gz VLFOGKYEJTVRNF-ZFWWWQNUSA-N 1 0 314.389 2.717 20 5 DFBDRO C[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806670 429489781 /nfs/dbraw/zinc/48/97/81/429489781.db2.gz XPEKFSINBBNGGA-ZIAGYGMSSA-N 1 0 319.405 2.546 20 5 DFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449745578 429495475 /nfs/dbraw/zinc/49/54/75/429495475.db2.gz CEUNMMRCOBLYNA-ZDUSSCGKSA-N 1 0 319.386 2.680 20 5 DFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000449745577 429495842 /nfs/dbraw/zinc/49/58/42/429495842.db2.gz CEUNMMRCOBLYNA-CYBMUJFWSA-N 1 0 319.386 2.680 20 5 DFBDRO COC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000449770697 429505503 /nfs/dbraw/zinc/50/55/03/429505503.db2.gz DNSWPULUXGGVCR-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000520340787 429509708 /nfs/dbraw/zinc/50/97/08/429509708.db2.gz BVUKBJFJYBOSFG-CQSZACIVSA-N 1 0 308.403 2.801 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000428457736 429524387 /nfs/dbraw/zinc/52/43/87/429524387.db2.gz MZSILEQJTJUKPM-WCQYABFASA-N 1 0 306.362 2.986 20 5 DFBDRO Cc1cnc([C@H](C)[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000428941360 429562152 /nfs/dbraw/zinc/56/21/52/429562152.db2.gz VHKLDFPABSEVQY-ZDUSSCGKSA-N 1 0 300.362 2.929 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428995871 429569577 /nfs/dbraw/zinc/56/95/77/429569577.db2.gz QVHJPHYTHJMSDS-IGCXYCKISA-N 1 0 321.396 2.896 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004328 429572074 /nfs/dbraw/zinc/57/20/74/429572074.db2.gz FINXYGVHPIVNNF-CKEIUWERSA-N 1 0 303.406 2.757 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035346 429576997 /nfs/dbraw/zinc/57/69/97/429576997.db2.gz LQESGOSDBQWBIK-PBFPGSCMSA-N 1 0 321.396 2.896 20 5 DFBDRO CCC[NH+]1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450224470 429582759 /nfs/dbraw/zinc/58/27/59/429582759.db2.gz BKYFIEDFMSWSST-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492645506 429585690 /nfs/dbraw/zinc/58/56/90/429585690.db2.gz MOXPXKQYAYYMGO-CMDGGOBGSA-N 1 0 317.389 2.552 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000521031113 429535964 /nfs/dbraw/zinc/53/59/64/429535964.db2.gz QETUMDSDVAPXLO-HNNXBMFYSA-N 1 0 320.389 2.504 20 5 DFBDRO CC(C)([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000429227988 429589087 /nfs/dbraw/zinc/58/90/87/429589087.db2.gz RENCZYUZJVSZHI-UHFFFAOYSA-N 1 0 319.405 2.868 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429574787 429619033 /nfs/dbraw/zinc/61/90/33/429619033.db2.gz BHCKSDFRLYADTQ-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO C[N@H+](CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC1 ZINC000450279847 429593164 /nfs/dbraw/zinc/59/31/64/429593164.db2.gz YOCHOXRGXPXTRD-UHFFFAOYSA-N 1 0 318.402 3.224 20 5 DFBDRO Cc1c(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000522862379 429598108 /nfs/dbraw/zinc/59/81/08/429598108.db2.gz UEQPLWUXVJUYOK-CYBMUJFWSA-N 1 0 320.393 2.755 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367246520 429602545 /nfs/dbraw/zinc/60/25/45/429602545.db2.gz MVHMSDHRJBOMNJ-IUODEOHRSA-N 1 0 317.389 2.755 20 5 DFBDRO CCCN(CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000430143176 429657468 /nfs/dbraw/zinc/65/74/68/429657468.db2.gz BHEGEVLICFNGOP-UHFFFAOYSA-N 1 0 317.345 2.552 20 5 DFBDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccccc1[N+](=O)[O-] ZINC000525487986 429660365 /nfs/dbraw/zinc/66/03/65/429660365.db2.gz WQUQXCDHUMPGIN-AWEZNQCLSA-N 1 0 300.358 2.978 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCCC[N@H+]1CCO ZINC000450613679 429661528 /nfs/dbraw/zinc/66/15/28/429661528.db2.gz MEVQYJWOEXOBKT-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000430195616 429661726 /nfs/dbraw/zinc/66/17/26/429661726.db2.gz OPDXWBRHTMZZIF-SLEUVZQESA-N 1 0 308.378 2.585 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000430215505 429663118 /nfs/dbraw/zinc/66/31/18/429663118.db2.gz CKFLGBZVPLZSFD-HNNXBMFYSA-N 1 0 308.378 2.898 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000430227909 429666019 /nfs/dbraw/zinc/66/60/19/429666019.db2.gz CPMUEZGHBKVGFV-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000194538359 276053295 /nfs/dbraw/zinc/05/32/95/276053295.db2.gz WYAJETLTIUEXON-GASCZTMLSA-N 1 0 303.406 2.712 20 5 DFBDRO C[N@H+](CCCCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000493021355 429670522 /nfs/dbraw/zinc/67/05/22/429670522.db2.gz MEWLIUMCNRXLBD-FLIBITNWSA-N 1 0 317.389 2.599 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000354035685 276103793 /nfs/dbraw/zinc/10/37/93/276103793.db2.gz MRKWINHKEXZESK-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713883 276204132 /nfs/dbraw/zinc/20/41/32/276204132.db2.gz ABKWFPBJDQQIFJ-UONOGXRCSA-N 1 0 319.405 2.955 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000269395117 276214446 /nfs/dbraw/zinc/21/44/46/276214446.db2.gz SVHSEMFTVKFSKZ-CMPLNLGQSA-N 1 0 312.801 2.810 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC(C)(C)C[NH3+] ZINC000430567749 429694554 /nfs/dbraw/zinc/69/45/54/429694554.db2.gz UYGGWUDRQDRHEU-UHFFFAOYSA-N 1 0 309.410 2.799 20 5 DFBDRO CCOc1cccc(N2CCC[C@@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277169441 276380583 /nfs/dbraw/zinc/38/05/83/276380583.db2.gz MOHHVCPFYGYTJR-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701066 429702827 /nfs/dbraw/zinc/70/28/27/429702827.db2.gz KBAHEEIWYDSVCI-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H](C)n3ccnc32)c1 ZINC000450828044 429708798 /nfs/dbraw/zinc/70/87/98/429708798.db2.gz JDOFPKXHHUKFPW-SKDRFNHKSA-N 1 0 316.317 2.696 20 5 DFBDRO CCOc1cccc(N2CC[NH+]([C@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000450860540 429715131 /nfs/dbraw/zinc/71/51/31/429715131.db2.gz OEVJFPPPCIDVMF-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493240833 429719960 /nfs/dbraw/zinc/71/99/60/429719960.db2.gz QJWODFGZBBLSRL-BRLPQQTGSA-N 1 0 323.368 2.579 20 5 DFBDRO CC(C)[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000432151613 429805314 /nfs/dbraw/zinc/80/53/14/429805314.db2.gz GZWDVKXMEFZUQO-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451413879 429823994 /nfs/dbraw/zinc/82/39/94/429823994.db2.gz HRFNQDJLAOZPAG-SGIREYDYSA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451423524 429828092 /nfs/dbraw/zinc/82/80/92/429828092.db2.gz RYBHEWSXOSHOCS-FMKPAKJESA-N 1 0 320.389 2.599 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846046 429839505 /nfs/dbraw/zinc/83/95/05/429839505.db2.gz CEMCLHWFEATLDJ-YXMGTMDOSA-N 1 0 317.389 2.549 20 5 DFBDRO CCO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451521111 429839933 /nfs/dbraw/zinc/83/99/33/429839933.db2.gz CUJCBMNEWWJQNO-CZUORRHYSA-N 1 0 308.378 2.721 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846043 429839984 /nfs/dbraw/zinc/83/99/84/429839984.db2.gz CEMCLHWFEATLDJ-FSNWXROXSA-N 1 0 317.389 2.549 20 5 DFBDRO CC(C)(C)NC(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544016 429847005 /nfs/dbraw/zinc/84/70/05/429847005.db2.gz CZGVVWSIZSOJGN-CQSZACIVSA-N 1 0 319.405 2.689 20 5 DFBDRO CCN(C)C(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548740 429850348 /nfs/dbraw/zinc/85/03/48/429850348.db2.gz OFICDFMAJCWDSA-HNNXBMFYSA-N 1 0 319.405 2.643 20 5 DFBDRO COCC[N@H+](C)CCCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000432333242 429814340 /nfs/dbraw/zinc/81/43/40/429814340.db2.gz ATXCODDAABICQH-UHFFFAOYSA-N 1 0 301.774 2.628 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000368624374 429878591 /nfs/dbraw/zinc/87/85/91/429878591.db2.gz MAMJVBYYUGTTNT-UHFFFAOYSA-N 1 0 312.369 2.523 20 5 DFBDRO Cc1cc(C2=CC[N@H+](C[C@H](O)C(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000368636406 429881973 /nfs/dbraw/zinc/88/19/73/429881973.db2.gz IAPNCJBAYANPBO-INIZCTEOSA-N 1 0 319.405 2.591 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000368690958 429887443 /nfs/dbraw/zinc/88/74/43/429887443.db2.gz YAYUFATVOWWTIA-HZPDHXFCSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H]1CSc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000369011540 429907235 /nfs/dbraw/zinc/90/72/35/429907235.db2.gz UPHUWIQWELZZDB-LBPRGKRZSA-N 1 0 318.402 2.788 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H](C)[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000174228739 276666495 /nfs/dbraw/zinc/66/64/95/276666495.db2.gz LCKZZMWEJZQZHZ-LBPRGKRZSA-N 1 0 307.394 2.617 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000369335151 429924988 /nfs/dbraw/zinc/92/49/88/429924988.db2.gz MZAJRDBKYPHFFE-RMKNXTFCSA-N 1 0 317.389 2.552 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000557265910 429935367 /nfs/dbraw/zinc/93/53/67/429935367.db2.gz IVRJTPSDFBOYPU-MRVWCRGKSA-N 1 0 308.378 2.948 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000557329187 429936668 /nfs/dbraw/zinc/93/66/68/429936668.db2.gz GAQHDGLLLYRGOV-CABCVRRESA-N 1 0 319.405 2.580 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000369459075 429949811 /nfs/dbraw/zinc/94/98/11/429949811.db2.gz UGFSVHHKRCRENS-BBRMVZONSA-N 1 0 306.362 2.747 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369471655 429952431 /nfs/dbraw/zinc/95/24/31/429952431.db2.gz OYCGQJQIQCYUBE-HIFRSBDPSA-N 1 0 306.362 2.617 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000573458688 429954533 /nfs/dbraw/zinc/95/45/33/429954533.db2.gz COYQTFSZTMLVFK-RYRKJORJSA-N 1 0 316.401 2.969 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000581026469 430172247 /nfs/dbraw/zinc/17/22/47/430172247.db2.gz DNURRPFLVQRMBB-CHWSQXEVSA-N 1 0 308.378 2.586 20 5 DFBDRO C[N@@H+]1CCCC12CCN(c1nc3cc([N+](=O)[O-])ccc3[nH]1)CC2 ZINC000408449235 277042626 /nfs/dbraw/zinc/04/26/26/277042626.db2.gz FGHKACVCDKLIJL-UHFFFAOYSA-N 1 0 315.377 2.536 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269377556 277070445 /nfs/dbraw/zinc/07/04/45/277070445.db2.gz OCLSNUSODFWJQX-ZYHUDNBSSA-N 1 0 310.785 2.564 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860475 277111629 /nfs/dbraw/zinc/11/16/29/277111629.db2.gz RIYHCKXKGDMGOO-HUUCEWRRSA-N 1 0 317.389 2.718 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000366440535 277160736 /nfs/dbraw/zinc/16/07/36/277160736.db2.gz CJXJTHWVWRCBOU-OAHLLOKOSA-N 1 0 309.797 2.776 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC000292367556 277161147 /nfs/dbraw/zinc/16/11/47/277161147.db2.gz RSPFCOHCLAXXGK-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000373709912 277178886 /nfs/dbraw/zinc/17/88/86/277178886.db2.gz BQKKUMWJLNNURS-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]2[C@H]1c1ccccc1 ZINC000377837917 277199929 /nfs/dbraw/zinc/19/99/29/277199929.db2.gz SPIZBMHDKQSHRQ-BFYDXBDKSA-N 1 0 324.384 2.729 20 5 DFBDRO COCC[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)CC(C)C ZINC000073616766 277217659 /nfs/dbraw/zinc/21/76/59/277217659.db2.gz OFBYFBSPZRMDPZ-UHFFFAOYSA-N 1 0 324.377 2.566 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000581402525 430204524 /nfs/dbraw/zinc/20/45/24/430204524.db2.gz QMXQQPQXWRSUEL-GFCCVEGCSA-N 1 0 323.393 2.914 20 5 DFBDRO COC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000153006574 277333575 /nfs/dbraw/zinc/33/35/75/277333575.db2.gz LKNRPELZQBCXQG-GFCCVEGCSA-N 1 0 321.377 2.785 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000301721079 277379889 /nfs/dbraw/zinc/37/98/89/277379889.db2.gz QFNZMPJWEYCKMF-BXUZGUMPSA-N 1 0 323.368 2.663 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000582782185 430333875 /nfs/dbraw/zinc/33/38/75/430333875.db2.gz PBVACNPDNJKCMJ-GFCCVEGCSA-N 1 0 304.394 2.622 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+](C)C ZINC000547320383 430384151 /nfs/dbraw/zinc/38/41/51/430384151.db2.gz YECBACDVCGNBHJ-HNNXBMFYSA-N 1 0 321.421 2.574 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000584182449 430467478 /nfs/dbraw/zinc/46/74/78/430467478.db2.gz AUHSFOWTMMWNHH-YLQAJVPDSA-N 1 0 318.373 2.510 20 5 DFBDRO O=C(c1cc2ccccc2c2cccnc12)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638932194 430476992 /nfs/dbraw/zinc/47/69/92/430476992.db2.gz UZFHUSWLOAAOBK-KBPBESRZSA-N 1 0 303.365 2.574 20 5 DFBDRO C[N@@H+]1CCCC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000599137765 430527285 /nfs/dbraw/zinc/52/72/85/430527285.db2.gz CVGTXSKFRPKDBQ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599126420 430527358 /nfs/dbraw/zinc/52/73/58/430527358.db2.gz GXSVKLBPHDXRTK-AWEZNQCLSA-N 1 0 304.394 3.117 20 5 DFBDRO CC[N@H+]1C[C@@H](C)N(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554754110 430651083 /nfs/dbraw/zinc/65/10/83/430651083.db2.gz ZDGREFTXUUQLEO-HZSPNIEDSA-N 1 0 319.405 2.639 20 5 DFBDRO CCC[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000555165821 430660288 /nfs/dbraw/zinc/66/02/88/430660288.db2.gz OXWKYUVRRVFLDF-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO CC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)OC)CC1 ZINC000552908363 430603962 /nfs/dbraw/zinc/60/39/62/430603962.db2.gz VBBGQIFAQQMJMP-UHFFFAOYSA-N 1 0 321.377 2.586 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000286326476 277938297 /nfs/dbraw/zinc/93/82/97/277938297.db2.gz LFEFTBMBDQEEFK-OLZOCXBDSA-N 1 0 305.378 2.666 20 5 DFBDRO CS[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000357465078 278167598 /nfs/dbraw/zinc/16/75/98/278167598.db2.gz WWCQRHILTOYLMG-GJZGRUSLSA-N 1 0 321.446 2.919 20 5 DFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000274672779 278168024 /nfs/dbraw/zinc/16/80/24/278168024.db2.gz LWPKVGGEBLWPBD-CABCVRRESA-N 1 0 307.419 2.611 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000186860944 278373150 /nfs/dbraw/zinc/37/31/50/278373150.db2.gz ISJDNTVAAGJABU-FZMZJTMJSA-N 1 0 319.405 2.620 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000216192318 278890961 /nfs/dbraw/zinc/89/09/61/278890961.db2.gz RJYYPYNOQQAWMN-BDAKNGLRSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000297456178 279113838 /nfs/dbraw/zinc/11/38/38/279113838.db2.gz WYJVNCXQEFROAE-BXKDBHETSA-N 1 0 319.386 2.761 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000370057670 279384637 /nfs/dbraw/zinc/38/46/37/279384637.db2.gz ZHDYZLJZXOLTQC-HNNXBMFYSA-N 1 0 314.389 2.926 20 5 DFBDRO C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000261926366 279555977 /nfs/dbraw/zinc/55/59/77/279555977.db2.gz ISHVHAHPJKPMCY-WCQYABFASA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193497958 280044881 /nfs/dbraw/zinc/04/48/81/280044881.db2.gz GEPQLCXIRKAKAB-SKDRFNHKSA-N 1 0 319.386 2.680 20 5 DFBDRO C[C@]1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOC1 ZINC000361398297 280157635 /nfs/dbraw/zinc/15/76/35/280157635.db2.gz RXLWVBLXQRUCLC-DOTOQJQBSA-N 1 0 304.390 2.932 20 5 DFBDRO CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000236996072 280184472 /nfs/dbraw/zinc/18/44/72/280184472.db2.gz NHRGVFGMUKEDOC-MRXNPFEDSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1c(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000368839658 280226161 /nfs/dbraw/zinc/22/61/61/280226161.db2.gz XOJHNVUHACMHBW-RCBQFDQVSA-N 1 0 317.389 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000173080987 281008669 /nfs/dbraw/zinc/00/86/69/281008669.db2.gz ZUAJKFUMRWZSBX-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000277943724 281257667 /nfs/dbraw/zinc/25/76/67/281257667.db2.gz OGEXUGLCUUUGAG-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[N@H+](CC(C)C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000153739297 289057833 /nfs/dbraw/zinc/05/78/33/289057833.db2.gz HXKWPSRLXBRJTI-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363407275 289088993 /nfs/dbraw/zinc/08/89/93/289088993.db2.gz VNXSSWZVGVSKHO-OLZOCXBDSA-N 1 0 318.377 2.652 20 5 DFBDRO C[NH2+]CCN(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415699949 289121335 /nfs/dbraw/zinc/12/13/35/289121335.db2.gz KSKINPNGNHOKMJ-UHFFFAOYSA-N 1 0 308.382 2.575 20 5 DFBDRO C[C@H]1C[NH2+]CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415709415 289122144 /nfs/dbraw/zinc/12/21/44/289122144.db2.gz YHOBBQWJVAVEPG-NSHDSACASA-N 1 0 320.393 2.718 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000415710546 289122966 /nfs/dbraw/zinc/12/29/66/289122966.db2.gz ZMGTYWGJLMTOGO-LBPRGKRZSA-N 1 0 320.393 2.847 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415756291 289130378 /nfs/dbraw/zinc/13/03/78/289130378.db2.gz DSFKXKGKLWDYEL-UHFFFAOYSA-N 1 0 320.393 2.940 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415755364 289130406 /nfs/dbraw/zinc/13/04/06/289130406.db2.gz CRGRKPXLRTYXEO-YPMHNXCESA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000415761925 289131812 /nfs/dbraw/zinc/13/18/12/289131812.db2.gz MIWSLWCQOFGPBZ-GFCCVEGCSA-N 1 0 320.393 2.621 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415771409 289133952 /nfs/dbraw/zinc/13/39/52/289133952.db2.gz ZQEGNFVYKQBIAS-YPMHNXCESA-N 1 0 320.393 2.796 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([S@](C)=O)CCC1 ZINC000435752613 296972172 /nfs/dbraw/zinc/97/21/72/296972172.db2.gz YRCGHCJPRVXICS-BPRLYGGPSA-N 1 0 322.430 2.889 20 5 DFBDRO CS[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000436426448 297002925 /nfs/dbraw/zinc/00/29/25/297002925.db2.gz DKZYMKWFCVFBGU-JKSUJKDBSA-N 1 0 321.446 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c(F)c1 ZINC000437973226 297076225 /nfs/dbraw/zinc/07/62/25/297076225.db2.gz GCHPSYZLUMODGS-AWEZNQCLSA-N 1 0 304.325 2.595 20 5 DFBDRO C[NH+](C)Cc1cccc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1 ZINC000155993548 295329124 /nfs/dbraw/zinc/32/91/24/295329124.db2.gz OYXWUYGUIPJZRA-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCC(O)CC3)o2)cc1 ZINC000162250283 295411686 /nfs/dbraw/zinc/41/16/86/295411686.db2.gz UMSWFBBKILNHDS-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1cc(N2C[C@H](C)C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000398802566 295492732 /nfs/dbraw/zinc/49/27/32/295492732.db2.gz OHZBRIVLGGOORH-YPMHNXCESA-N 1 0 315.373 2.906 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cc1 ZINC000412013037 295576273 /nfs/dbraw/zinc/57/62/73/295576273.db2.gz NOUXUXWNDKMMSZ-UHFFFAOYSA-N 1 0 316.401 2.872 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438482309 297094704 /nfs/dbraw/zinc/09/47/04/297094704.db2.gz XWHSTGMOQMFKFW-CYBMUJFWSA-N 1 0 305.378 2.820 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488681 297095340 /nfs/dbraw/zinc/09/53/40/297095340.db2.gz HRQHDBOYRMUTIO-CHWSQXEVSA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000438513532 297096658 /nfs/dbraw/zinc/09/66/58/297096658.db2.gz ZXPYNXLPMLVMMB-CHWSQXEVSA-N 1 0 305.378 2.900 20 5 DFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439114289 297115934 /nfs/dbraw/zinc/11/59/34/297115934.db2.gz BKRHZNMIZCXIGE-LLVKDONJSA-N 1 0 315.801 2.753 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000440664627 297161010 /nfs/dbraw/zinc/16/10/10/297161010.db2.gz LOVAILVMHRGPHX-UHFFFAOYSA-N 1 0 321.425 2.787 20 5 DFBDRO CC[C@]1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000442893843 297210647 /nfs/dbraw/zinc/21/06/47/297210647.db2.gz YEZVACPKXKOLJI-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000443954523 297228977 /nfs/dbraw/zinc/22/89/77/297228977.db2.gz CSEQEBLNFCIIQT-YPMHNXCESA-N 1 0 320.393 2.816 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H](C)O1 ZINC000446078754 297274700 /nfs/dbraw/zinc/27/47/00/297274700.db2.gz HYGOSBINAGTOJU-RDBSUJKOSA-N 1 0 308.378 2.861 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000446829299 297287643 /nfs/dbraw/zinc/28/76/43/297287643.db2.gz GGBVIMOKXNKVDE-DFKRKDTASA-N 1 0 318.377 2.620 20 5 DFBDRO COC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCCC1 ZINC000446837721 297288046 /nfs/dbraw/zinc/28/80/46/297288046.db2.gz ZWQYJZGEKKEHES-UHFFFAOYSA-N 1 0 318.377 2.910 20 5 DFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000446843382 297288535 /nfs/dbraw/zinc/28/85/35/297288535.db2.gz MXKXUAVIZZZDAT-HNNXBMFYSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCOCC2CC2)n1 ZINC000447510729 297305965 /nfs/dbraw/zinc/30/59/65/297305965.db2.gz ZVKCZUCNFYSSLZ-CABCVRRESA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447527531 297306742 /nfs/dbraw/zinc/30/67/42/297306742.db2.gz GOLREARDVNLVSZ-CABCVRRESA-N 1 0 315.377 2.768 20 5 DFBDRO Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447531425 297307056 /nfs/dbraw/zinc/30/70/56/297307056.db2.gz RBFIDEUDBFGJOC-RYUDHWBXSA-N 1 0 321.406 2.830 20 5 DFBDRO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536559 297307219 /nfs/dbraw/zinc/30/72/19/297307219.db2.gz OJPWGTPTZNYANC-ZNMIVQPWSA-N 1 0 323.441 2.595 20 5 DFBDRO CCC(CC)(CO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585868 297309456 /nfs/dbraw/zinc/30/94/56/297309456.db2.gz KLXPZUFBSLGZIF-UONOGXRCSA-N 1 0 324.425 2.663 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)nc1 ZINC000447586882 297309579 /nfs/dbraw/zinc/30/95/79/297309579.db2.gz NZXWEWOKSVZWFG-INIZCTEOSA-N 1 0 312.373 2.903 20 5 DFBDRO COCCOC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585804 297309673 /nfs/dbraw/zinc/30/96/73/297309673.db2.gz LOHGXLIYIMVTIU-WBMJQRKESA-N 1 0 308.378 2.613 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692672 297313476 /nfs/dbraw/zinc/31/34/76/297313476.db2.gz HJVANRIPKISEPT-YGRLFVJLSA-N 1 0 303.366 2.612 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)(F)F ZINC000449069759 297400207 /nfs/dbraw/zinc/40/02/07/297400207.db2.gz ICBMKSNEDRZDBT-JTQLQIEISA-N 1 0 306.284 2.694 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000449178783 297418446 /nfs/dbraw/zinc/41/84/46/297418446.db2.gz UPKKEVYGBLLJBX-XJKSGUPXSA-N 1 0 323.462 2.553 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340122 297449562 /nfs/dbraw/zinc/44/95/62/297449562.db2.gz MSAMNYHPNDSBOB-KBPBESRZSA-N 1 0 321.421 2.668 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449507065 297481933 /nfs/dbraw/zinc/48/19/33/297481933.db2.gz DLMWOILVQBYAHA-HIFRSBDPSA-N 1 0 324.352 2.945 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449583155 297495048 /nfs/dbraw/zinc/49/50/48/297495048.db2.gz HRLFRMCCHHUUIX-IYNGYCSASA-N 1 0 300.362 2.562 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000449638115 297504505 /nfs/dbraw/zinc/50/45/05/297504505.db2.gz JGVNNRXAIJIAOO-GHMZBOCLSA-N 1 0 323.418 2.564 20 5 DFBDRO CCN(CCC[NH+](C)C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450478050 297638289 /nfs/dbraw/zinc/63/82/89/297638289.db2.gz ZDHJVZWNCVBBPU-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(=NCCCCC[NH+]3CCCC3)[nH]c2c1 ZINC000450541702 297642059 /nfs/dbraw/zinc/64/20/59/297642059.db2.gz FGFXBJFXXDAXFZ-UHFFFAOYSA-N 1 0 317.393 2.571 20 5 DFBDRO Cc1cc(N2CC[C@@](O)(C(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450700619 297671178 /nfs/dbraw/zinc/67/11/78/297671178.db2.gz DWMGQOHZDZWVSQ-HNNXBMFYSA-N 1 0 323.299 2.658 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000451481733 297813109 /nfs/dbraw/zinc/81/31/09/297813109.db2.gz UPTALQBYDWOZFU-ARFHVFGLSA-N 1 0 320.389 2.767 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451491279 297815421 /nfs/dbraw/zinc/81/54/21/297815421.db2.gz BGUYFSVYWPABLG-KMUNFCNLSA-N 1 0 308.378 2.753 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451491280 297815760 /nfs/dbraw/zinc/81/57/60/297815760.db2.gz BGUYFSVYWPABLG-VCTAVGKDSA-N 1 0 308.378 2.753 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@H](C)C1 ZINC000452064109 297918783 /nfs/dbraw/zinc/91/87/83/297918783.db2.gz YWELXEFPMBDBGE-IHRRRGAJSA-N 1 0 307.394 2.561 20 5 DFBDRO CCC[C@@H]([NH2+]CC[C@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453258115 298077553 /nfs/dbraw/zinc/07/75/53/298077553.db2.gz OBNNWBFGCVCEOM-CVEARBPZSA-N 1 0 310.394 2.813 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000453334298 298084270 /nfs/dbraw/zinc/08/42/70/298084270.db2.gz HNKWDMOYMKZQCO-GFCCVEGCSA-N 1 0 308.378 2.807 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1O ZINC000453406620 298091223 /nfs/dbraw/zinc/09/12/23/298091223.db2.gz LHCOYHDMNYVPJF-OUCADQQQSA-N 1 0 310.419 2.969 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453415097 298092001 /nfs/dbraw/zinc/09/20/01/298092001.db2.gz XCGZYEDOOBKDLP-ZBFHGGJFSA-N 1 0 305.378 2.694 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000454199440 298134770 /nfs/dbraw/zinc/13/47/70/298134770.db2.gz NGLGPBHETRTLSF-GFCCVEGCSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000454349460 298159888 /nfs/dbraw/zinc/15/98/88/298159888.db2.gz AODZSEWTMVUQEU-AWEZNQCLSA-N 1 0 306.366 2.541 20 5 DFBDRO C[N@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000454372661 298164031 /nfs/dbraw/zinc/16/40/31/298164031.db2.gz ZTJPPMIOGFVZMJ-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454976418 298275703 /nfs/dbraw/zinc/27/57/03/298275703.db2.gz PYPNANQBIKIHKJ-STQMWFEESA-N 1 0 322.409 2.684 20 5 DFBDRO Cc1cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000455083405 298296389 /nfs/dbraw/zinc/29/63/89/298296389.db2.gz FSKNKLSKWYQJGH-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cc(C(=O)NC(C)(C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000456205078 298471102 /nfs/dbraw/zinc/47/11/02/298471102.db2.gz PKDVBUDEZTZXAD-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC[C@@H]3CCOC3)c2c1 ZINC000516816060 300361903 /nfs/dbraw/zinc/36/19/03/300361903.db2.gz GQTXMNYVBFSLHC-GFCCVEGCSA-N 1 0 303.362 2.635 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000516857538 300364106 /nfs/dbraw/zinc/36/41/06/300364106.db2.gz FXQIVBHBDVTAFV-APHBMKBZSA-N 1 0 312.373 2.707 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000516908247 300368150 /nfs/dbraw/zinc/36/81/50/300368150.db2.gz ZXCRWXMSHXOWSF-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000517176933 300385861 /nfs/dbraw/zinc/38/58/61/300385861.db2.gz URIPZEYUNJLCQV-INIZCTEOSA-N 1 0 305.378 2.526 20 5 DFBDRO C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000521717670 300535356 /nfs/dbraw/zinc/53/53/56/300535356.db2.gz GOUWANQRWRNWAT-AEGPPILISA-N 1 0 319.405 2.687 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2ncccc2F)n1 ZINC000530418347 301047434 /nfs/dbraw/zinc/04/74/34/301047434.db2.gz RDCAUTRNCGBZDB-TZMCWYRMSA-N 1 0 319.340 2.599 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000530835576 301067895 /nfs/dbraw/zinc/06/78/95/301067895.db2.gz NNIJXQNTJZYEEM-CYBMUJFWSA-N 1 0 319.405 2.617 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532200505 301136385 /nfs/dbraw/zinc/13/63/85/301136385.db2.gz QRHLKDFKGJKSRO-LBPRGKRZSA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000532971903 301179323 /nfs/dbraw/zinc/17/93/23/301179323.db2.gz MXFGQOBJMMZJEP-VXGBXAGGSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC000536906491 301292656 /nfs/dbraw/zinc/29/26/56/301292656.db2.gz ZJXFDIPBDXNNHW-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000540157174 301358764 /nfs/dbraw/zinc/35/87/64/301358764.db2.gz XGPWLZKOCQRCEM-SKDRFNHKSA-N 1 0 306.284 2.867 20 5 DFBDRO O=C(CC[NH2+]Cc1ccccc1F)Nc1ccccc1[N+](=O)[O-] ZINC000548826119 301617512 /nfs/dbraw/zinc/61/75/12/301617512.db2.gz UKMAEXIKHBFAPV-UHFFFAOYSA-N 1 0 317.320 2.852 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000557265912 301830053 /nfs/dbraw/zinc/83/00/53/301830053.db2.gz IVRJTPSDFBOYPU-UBHSHLNASA-N 1 0 308.378 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000369873673 301851005 /nfs/dbraw/zinc/85/10/05/301851005.db2.gz MOOZIYFMFDDCEK-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO CC(C)[NH2+]CCCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000562814927 302005297 /nfs/dbraw/zinc/00/52/97/302005297.db2.gz OETGBDIMDCBUMU-UHFFFAOYSA-N 1 0 322.409 2.517 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NCCC[C@H]1CCC[NH2+]1)CCCC2 ZINC000563142610 302041280 /nfs/dbraw/zinc/04/12/80/302041280.db2.gz NIFMKYPKLIGXFR-CYBMUJFWSA-N 1 0 304.394 2.813 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305203 302060713 /nfs/dbraw/zinc/06/07/13/302060713.db2.gz OKQVXONCOBRCGN-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)c1 ZINC000563443284 302073608 /nfs/dbraw/zinc/07/36/08/302073608.db2.gz RWCZNRYVXFKGJW-AWEZNQCLSA-N 1 0 302.305 2.827 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3ccncc3)C2)c1 ZINC000564156436 302121192 /nfs/dbraw/zinc/12/11/92/302121192.db2.gz VHMLXGSHLKPCTA-OAHLLOKOSA-N 1 0 313.357 2.858 20 5 DFBDRO C[C@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000564714823 302152854 /nfs/dbraw/zinc/15/28/54/302152854.db2.gz NXXFUARZSWWOOW-BBRMVZONSA-N 1 0 319.405 2.641 20 5 DFBDRO CCCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000564854933 302165030 /nfs/dbraw/zinc/16/50/30/302165030.db2.gz UHHKKPBTWLGOSP-CQSZACIVSA-N 1 0 308.378 2.504 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000565396782 302221960 /nfs/dbraw/zinc/22/19/60/302221960.db2.gz VYZFBLLNBJDWGO-XJKSGUPXSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000566122099 302261587 /nfs/dbraw/zinc/26/15/87/302261587.db2.gz XRHVVVKLDGAZNQ-RHSMWYFYSA-N 1 0 320.389 2.503 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000566631053 302301068 /nfs/dbraw/zinc/30/10/68/302301068.db2.gz SCFWPDPNBZNSHE-WOSRLPQWSA-N 1 0 304.390 2.970 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566781227 302311262 /nfs/dbraw/zinc/31/12/62/302311262.db2.gz KEHACXFJADSPNA-ZIAGYGMSSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)c1 ZINC000567680687 302379112 /nfs/dbraw/zinc/37/91/12/302379112.db2.gz CBEOQNUJIWYQSA-MRXNPFEDSA-N 1 0 320.776 2.941 20 5 DFBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567691224 302380198 /nfs/dbraw/zinc/38/01/98/302380198.db2.gz RZQVBELNPGQGCI-MJBXVCDLSA-N 1 0 310.394 2.749 20 5 DFBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000574030699 302736372 /nfs/dbraw/zinc/73/63/72/302736372.db2.gz KJAKDUSIMSWFLR-BARDWOONSA-N 1 0 322.409 2.822 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000574100463 302740443 /nfs/dbraw/zinc/74/04/43/302740443.db2.gz RNIQTSLWTXKZOT-CYBMUJFWSA-N 1 0 322.409 2.698 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(F)F ZINC000574291936 302751455 /nfs/dbraw/zinc/75/14/55/302751455.db2.gz KAQGXGVZRUQSPN-LOWVWBTDSA-N 1 0 300.305 2.576 20 5 DFBDRO COC[C@](C)(CCO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000175856421 315972561 /nfs/dbraw/zinc/97/25/61/315972561.db2.gz KDQWEURNPCFPCS-INIZCTEOSA-N 1 0 310.394 2.595 20 5 DFBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181892735 316076222 /nfs/dbraw/zinc/07/62/22/316076222.db2.gz VAGKWXXMMZJUKN-CABCVRRESA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182736439 316115846 /nfs/dbraw/zinc/11/58/46/316115846.db2.gz PFBCIUCPPPTEGD-MCIONIFRSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000183108025 316130247 /nfs/dbraw/zinc/13/02/47/316130247.db2.gz JUFJMLCILVPHNR-CYBMUJFWSA-N 1 0 319.405 2.898 20 5 DFBDRO CCOC(=O)C[C@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000183182470 316133306 /nfs/dbraw/zinc/13/33/06/316133306.db2.gz YYQNVRZPZQYJSX-XOVSCCBYSA-N 1 0 306.362 2.882 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000268999089 316229789 /nfs/dbraw/zinc/22/97/89/316229789.db2.gz OPMLUXIZKRSFRM-BBRMVZONSA-N 1 0 308.353 2.861 20 5 DFBDRO COCC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCC1 ZINC000361297901 316582257 /nfs/dbraw/zinc/58/22/57/316582257.db2.gz VHVMFTJXOBGCSY-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO CC(C)[C@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414788243 316657325 /nfs/dbraw/zinc/65/73/25/316657325.db2.gz DBGMBRLQLKNKMS-OAHLLOKOSA-N 1 0 303.362 2.928 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421864801 316776824 /nfs/dbraw/zinc/77/68/24/316776824.db2.gz XYXCHJUZZKNEJE-JHJVBQTASA-N 1 0 305.378 2.537 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)Cc1ccccc1 ZINC000449248086 317032522 /nfs/dbraw/zinc/03/25/22/317032522.db2.gz HSKXRBFPXCBRRA-RHSMWYFYSA-N 1 0 314.385 2.719 20 5 DFBDRO COC[C@](C)(O)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449387770 317036840 /nfs/dbraw/zinc/03/68/40/317036840.db2.gz YAHOVLJUWBNRFE-MRXNPFEDSA-N 1 0 310.394 2.595 20 5 DFBDRO C[C@@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449555880 317043299 /nfs/dbraw/zinc/04/32/99/317043299.db2.gz KANBCYJHFQUYSM-LZWOXQAQSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449555878 317043354 /nfs/dbraw/zinc/04/33/54/317043354.db2.gz KANBCYJHFQUYSM-DZKIICNBSA-N 1 0 305.422 2.846 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(=NCCC[NH2+]C3CCCCC3)[nH]c2c1 ZINC000450245715 317075211 /nfs/dbraw/zinc/07/52/11/317075211.db2.gz IPPMDGCJSBNCPE-UHFFFAOYSA-N 1 0 317.393 2.617 20 5 DFBDRO CCCN(CC[NH+]1CCCCCC1)c1ncc([N+](=O)[O-])c(C)n1 ZINC000450527779 317107943 /nfs/dbraw/zinc/10/79/43/317107943.db2.gz LZDLCXUKSUSASL-UHFFFAOYSA-N 1 0 321.425 2.786 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451459432 317116046 /nfs/dbraw/zinc/11/60/46/317116046.db2.gz QIWRUHRNZKFEQE-BBRMVZONSA-N 1 0 320.389 2.647 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453245499 317171017 /nfs/dbraw/zinc/17/10/17/317171017.db2.gz KXSQLGTYAAWHFK-YVEFUNNKSA-N 1 0 318.348 2.988 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2C[C@H]2C2CC2)n1 ZINC000453395151 317182951 /nfs/dbraw/zinc/18/29/51/317182951.db2.gz XETVMQWHMGGGOQ-ZQDZILKHSA-N 1 0 304.394 2.911 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000453394677 317182990 /nfs/dbraw/zinc/18/29/90/317182990.db2.gz WPQDOWJUMIOTSE-ABAIWWIYSA-N 1 0 308.378 2.805 20 5 DFBDRO CC[C@@H]([NH2+]CCc1cnc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000453395314 317183358 /nfs/dbraw/zinc/18/33/58/317183358.db2.gz HRUCCWXHOALALK-MRXNPFEDSA-N 1 0 300.362 2.977 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453588593 317191252 /nfs/dbraw/zinc/19/12/52/317191252.db2.gz ZBVRIWXTXDVJQP-ZDUSSCGKSA-N 1 0 308.378 2.898 20 5 DFBDRO CON1CCC([N@H+](C)C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000453614864 317193827 /nfs/dbraw/zinc/19/38/27/317193827.db2.gz FEQRYBZHYXVPCQ-KAMYIIQDSA-N 1 0 319.405 2.956 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3cn[nH]c3)C2)cc1 ZINC000459502995 317325957 /nfs/dbraw/zinc/32/59/57/317325957.db2.gz GEYKDZCMUCHYHN-OAHLLOKOSA-N 1 0 300.362 2.740 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488112902 317368399 /nfs/dbraw/zinc/36/83/99/317368399.db2.gz IYTNHHICJBZGRH-ZDUSSCGKSA-N 1 0 314.389 2.709 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488133161 317369516 /nfs/dbraw/zinc/36/95/16/317369516.db2.gz ZBYREDDGMGLEPA-QWHCGFSZSA-N 1 0 314.389 2.850 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491826613 317593068 /nfs/dbraw/zinc/59/30/68/317593068.db2.gz AVFROOLQSIKKBQ-CRALRDPISA-N 1 0 323.368 2.594 20 5 DFBDRO CC[C@H]([NH2+]CCN1CCO[C@@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494472543 317654744 /nfs/dbraw/zinc/65/47/44/317654744.db2.gz HBFHFWUTEHAZTQ-IRXDYDNUSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000560483715 317900029 /nfs/dbraw/zinc/90/00/29/317900029.db2.gz HNRXMMFIMGNUBG-GXSJLCMTSA-N 1 0 319.386 2.761 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1cccc(O)c1 ZINC000572938350 318008738 /nfs/dbraw/zinc/00/87/38/318008738.db2.gz LBRKPUXBTPXMCI-UHFFFAOYSA-N 1 0 302.330 2.941 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOCC2CCC2)n1 ZINC000573410648 318018448 /nfs/dbraw/zinc/01/84/48/318018448.db2.gz MKNBGHIAWDYGAU-LSDHHAIUSA-N 1 0 322.409 2.681 20 5 DFBDRO CC(C)(C)N1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000575059047 318060205 /nfs/dbraw/zinc/06/02/05/318060205.db2.gz CXKLOCPUWRNPKD-QPBFKRLHSA-N 1 0 317.389 2.597 20 5 DFBDRO CC(C)(C)N1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000575059046 318060316 /nfs/dbraw/zinc/06/03/16/318060316.db2.gz CXKLOCPUWRNPKD-OWNNVSBGSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000575065919 318060653 /nfs/dbraw/zinc/06/06/53/318060653.db2.gz AYSPKADRADFPJX-UHFFFAOYSA-N 1 0 320.393 2.804 20 5 DFBDRO Cn1cncc1CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000575192390 318069614 /nfs/dbraw/zinc/06/96/14/318069614.db2.gz AIMRHZIXPWVVFP-UHFFFAOYSA-N 1 0 314.389 2.926 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000576241831 318113860 /nfs/dbraw/zinc/11/38/60/318113860.db2.gz GXWAUDMSLHZMLC-CQSZACIVSA-N 1 0 321.421 2.958 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N(C)CCC[NH+](C)C ZINC000576458776 318127416 /nfs/dbraw/zinc/12/74/16/318127416.db2.gz GEXAUAWGERKTAM-UHFFFAOYSA-N 1 0 313.785 2.580 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(CO)Cc2ccccc2C1 ZINC000576887560 318157533 /nfs/dbraw/zinc/15/75/33/318157533.db2.gz XNLHZWHCYSKNDM-QGZVFWFLSA-N 1 0 324.380 2.702 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H](CO)Cc1ccccc1 ZINC000576957108 318162543 /nfs/dbraw/zinc/16/25/43/318162543.db2.gz JZKNXAGNWORTGG-PBHICJAKSA-N 1 0 312.369 2.775 20 5 DFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ncc([N+](=O)[O-])cc1F ZINC000577362012 318187477 /nfs/dbraw/zinc/18/74/77/318187477.db2.gz KIQGGCMGSPAYMM-UTUOFQBUSA-N 1 0 310.373 2.907 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000577815527 318217993 /nfs/dbraw/zinc/21/79/93/318217993.db2.gz XOCIJNJLGQCDEK-DZGCQCFKSA-N 1 0 319.405 2.687 20 5 DFBDRO CN(C)[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000578378555 318257368 /nfs/dbraw/zinc/25/73/68/318257368.db2.gz IHJPXQZRAFTSOV-GDBMZVCRSA-N 1 0 321.446 2.609 20 5 DFBDRO C[C@H]1CCCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667108 318277202 /nfs/dbraw/zinc/27/72/02/318277202.db2.gz GZIYJUSMBTVDLV-BBRMVZONSA-N 1 0 303.406 2.904 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579070653 318304396 /nfs/dbraw/zinc/30/43/96/318304396.db2.gz WLKWJEFWMBXKML-ZDUSSCGKSA-N 1 0 307.394 2.545 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000579593280 318341428 /nfs/dbraw/zinc/34/14/28/318341428.db2.gz ZSHSLJKRJNKAPI-CQSZACIVSA-N 1 0 318.764 2.706 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000194361864 323267331 /nfs/dbraw/zinc/26/73/31/323267331.db2.gz LYXHNKSSTKNMPU-LGWLGOQQSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805088 323338616 /nfs/dbraw/zinc/33/86/16/323338616.db2.gz AFUPIEXAJNGLPW-CZUORRHYSA-N 1 0 312.373 2.922 20 5 DFBDRO C[NH+](C)CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000580307458 323367936 /nfs/dbraw/zinc/36/79/36/323367936.db2.gz RVYIZRKVNMZVTQ-UHFFFAOYSA-N 1 0 318.421 2.647 20 5 DFBDRO COCCC(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000582602233 323701801 /nfs/dbraw/zinc/70/18/01/323701801.db2.gz RRZIZLCSMFVZHY-UHFFFAOYSA-N 1 0 323.393 2.576 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C)C(C)(C)C ZINC000583208204 323814506 /nfs/dbraw/zinc/81/45/06/323814506.db2.gz ZQELELAYZDQTLJ-LLVKDONJSA-N 1 0 323.393 2.956 20 5 DFBDRO CC(C)Oc1nc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000583575926 323882557 /nfs/dbraw/zinc/88/25/57/323882557.db2.gz WRGPBUDYNLFTFB-UHFFFAOYSA-N 1 0 322.409 2.698 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(CF)CCOCC1 ZINC000584004853 323949103 /nfs/dbraw/zinc/94/91/03/323949103.db2.gz XYUUMOOYXVPESY-AWEZNQCLSA-N 1 0 308.353 2.938 20 5 DFBDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000584286850 332213621 /nfs/dbraw/zinc/21/36/21/332213621.db2.gz KLEIAUHWOMBARS-YDHLFZDLSA-N 1 0 308.378 2.503 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000584540367 337359727 /nfs/dbraw/zinc/35/97/27/337359727.db2.gz WKMLBBPTBBKLNC-CYBMUJFWSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1c(C[N@H+](CCO)[C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000331275666 533844633 /nfs/dbraw/zinc/84/46/33/533844633.db2.gz XOVLGKGLDLQZLQ-AWEZNQCLSA-N 1 0 310.419 2.593 20 5 DFBDRO COC(=O)c1cc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000301539244 533893859 /nfs/dbraw/zinc/89/38/59/533893859.db2.gz RRQXGVLKIAAPOQ-LBPRGKRZSA-N 1 0 321.377 2.668 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000323197955 534336189 /nfs/dbraw/zinc/33/61/89/534336189.db2.gz TUECAKKGGJCOMB-UHFFFAOYSA-N 1 0 311.341 2.801 20 5 DFBDRO Cc1nc(CN(C)c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)no1 ZINC000302108376 534346720 /nfs/dbraw/zinc/34/67/20/534346720.db2.gz YNEGXMKFPLPTPO-UHFFFAOYSA-N 1 0 313.317 2.779 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000157625758 519845752 /nfs/dbraw/zinc/84/57/52/519845752.db2.gz KBJWQMNSAVFHEO-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190536 520700065 /nfs/dbraw/zinc/70/00/65/520700065.db2.gz OXIURBNITMWUHW-HUUCEWRRSA-N 1 0 320.389 2.852 20 5 DFBDRO COC[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000364151384 522818858 /nfs/dbraw/zinc/81/88/58/522818858.db2.gz RSOJWVHGJWUKNX-LBPRGKRZSA-N 1 0 319.361 2.985 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1[N+](=O)[O-] ZINC000294846647 534849652 /nfs/dbraw/zinc/84/96/52/534849652.db2.gz NANQYKMGKGOMID-SNVBAGLBSA-N 1 0 311.769 2.510 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH+]2CCCC2)CC1 ZINC000367939300 534879188 /nfs/dbraw/zinc/87/91/88/534879188.db2.gz SMBJHBAQIJLKKR-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157600008 525813511 /nfs/dbraw/zinc/81/35/11/525813511.db2.gz JFLQPWJBEPYNFV-IOASZLSFSA-N 1 0 306.406 2.913 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(C1CC1)C1CC[NH2+]CC1 ZINC000366412284 526680260 /nfs/dbraw/zinc/68/02/60/526680260.db2.gz APSZOXFHWQLKPF-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294790356 527231142 /nfs/dbraw/zinc/23/11/42/527231142.db2.gz LXHSMTVFFWHFGJ-CYBMUJFWSA-N 1 0 319.405 2.708 20 5 DFBDRO CC(C)([NH2+]Cc1c[nH]c2nccnc12)c1ccccc1[N+](=O)[O-] ZINC000292832829 527294231 /nfs/dbraw/zinc/29/42/31/527294231.db2.gz RKLKUKYERUTHSH-UHFFFAOYSA-N 1 0 311.345 2.891 20 5 DFBDRO CC(=O)c1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC000295915610 527315330 /nfs/dbraw/zinc/31/53/30/527315330.db2.gz FZCCJNBNPHZZIR-AGUYFDCRSA-N 1 0 303.362 2.835 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCc3ncccc3C2)cc1 ZINC000366420247 527370937 /nfs/dbraw/zinc/37/09/37/527370937.db2.gz CPDQPHQFVSSSPN-UHFFFAOYSA-N 1 0 313.357 2.817 20 5 DFBDRO CC(C)(C(=O)NCCC[C@H]1CCC[NH2+]1)c1ccc([N+](=O)[O-])cc1 ZINC000294931861 527518303 /nfs/dbraw/zinc/51/83/03/527518303.db2.gz UNCSASCVSOIJQG-CQSZACIVSA-N 1 0 319.405 2.521 20 5 DFBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000299224910 527782986 /nfs/dbraw/zinc/78/29/86/527782986.db2.gz NIJMSWNKUOEHEW-OAHLLOKOSA-N 1 0 305.378 2.678 20 5 DFBDRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000296680048 527897397 /nfs/dbraw/zinc/89/73/97/527897397.db2.gz ICMRPRJQAGASQL-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302036717 527987045 /nfs/dbraw/zinc/98/70/45/527987045.db2.gz MDXPNBQRLQXENQ-AWEZNQCLSA-N 1 0 307.394 2.619 20 5 DFBDRO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301966846 528314748 /nfs/dbraw/zinc/31/47/48/528314748.db2.gz VXSSJSFEXNXEBZ-OCCSQVGLSA-N 1 0 305.378 2.666 20 5 DFBDRO CC[N@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000318582116 528518486 /nfs/dbraw/zinc/51/84/86/528518486.db2.gz CIWGXKDNGTYEFO-UHFFFAOYSA-N 1 0 318.299 2.905 20 5 DFBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294533160 528607644 /nfs/dbraw/zinc/60/76/44/528607644.db2.gz ABGLZQDGJFUACZ-IAQYHMDHSA-N 1 0 309.410 2.871 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295037170 529176423 /nfs/dbraw/zinc/17/64/23/529176423.db2.gz SJSRRCHJKFBNHQ-SWLSCSKDSA-N 1 0 305.378 2.552 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360989210 535263864 /nfs/dbraw/zinc/26/38/64/535263864.db2.gz AWNWJXRSTXAVHI-AWEZNQCLSA-N 1 0 319.405 2.966 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000354834136 535361052 /nfs/dbraw/zinc/36/10/52/535361052.db2.gz ZIDCBLLSMHTGJP-MRXNPFEDSA-N 1 0 319.405 2.646 20 5 DFBDRO COC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCCC1 ZINC000361564662 536627544 /nfs/dbraw/zinc/62/75/44/536627544.db2.gz NNFAIDKLYLYZNQ-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO CO[C@]1(C)C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000358087947 536840188 /nfs/dbraw/zinc/84/01/88/536840188.db2.gz QTFPCNGGDLCCHK-GOEBONIOSA-N 1 0 308.378 2.767 20 5 DFBDRO CC[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000181233680 199269333 /nfs/dbraw/zinc/26/93/33/199269333.db2.gz APMOWXBVSCWQPR-INIZCTEOSA-N 1 0 319.405 2.942 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000413027713 295669369 /nfs/dbraw/zinc/66/93/69/295669369.db2.gz ZRTMQXNEXBBGRY-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO Cc1cc(NCc2nnc3n2CCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272856389 210251379 /nfs/dbraw/zinc/25/13/79/210251379.db2.gz PRTOSOTZZMUVQI-UHFFFAOYSA-N 1 0 324.344 2.601 20 5 DFBDRO CCC[C@@H]([NH2+]CC(=O)NCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181284006 199276030 /nfs/dbraw/zinc/27/60/30/199276030.db2.gz PNPIIJURPSRHQL-OAHLLOKOSA-N 1 0 305.378 2.552 20 5 DFBDRO O=[N+]([O-])c1cnc(NCCC[NH2+]Cc2cccnc2)c(Cl)c1 ZINC000318293825 231168541 /nfs/dbraw/zinc/16/85/41/231168541.db2.gz OWVGKVNDYYRVQK-UHFFFAOYSA-N 1 0 321.768 2.630 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000317354728 231160416 /nfs/dbraw/zinc/16/04/16/231160416.db2.gz GQYNQMVJANKAEW-GFCCVEGCSA-N 1 0 307.394 2.859 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413119850 295678067 /nfs/dbraw/zinc/67/80/67/295678067.db2.gz YZSIAESRNWAAKN-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH2+]Cc2cccnc2)c1 ZINC000321411374 231200897 /nfs/dbraw/zinc/20/08/97/231200897.db2.gz JNZIZDZWWJHDNU-UHFFFAOYSA-N 1 0 316.361 2.590 20 5 DFBDRO O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1cccc2c1C[NH2+]CC2 ZINC000326523255 231226177 /nfs/dbraw/zinc/22/61/77/231226177.db2.gz VEKJGGJFOBWYFW-BQYQJAHWSA-N 1 0 323.352 2.892 20 5 DFBDRO Cc1cc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])s1 ZINC000596168228 398346344 /nfs/dbraw/zinc/34/63/44/398346344.db2.gz RDAGPHATBRSFPN-GFCCVEGCSA-N 1 0 311.407 2.630 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591901133 398347650 /nfs/dbraw/zinc/34/76/50/398347650.db2.gz QEAJGQDYVHTJPE-CYBMUJFWSA-N 1 0 304.394 2.763 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087367832 185222826 /nfs/dbraw/zinc/22/28/26/185222826.db2.gz NRVPKCZFXWAMFX-CABCVRRESA-N 1 0 319.405 2.516 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@H+](CC3CC3)C1)CCCC2 ZINC000591909798 398351587 /nfs/dbraw/zinc/35/15/87/398351587.db2.gz WAFJVZWPPOZHGX-AWEZNQCLSA-N 1 0 316.405 2.765 20 5 DFBDRO COc1cc(NC[C@H](C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596238412 398364741 /nfs/dbraw/zinc/36/47/41/398364741.db2.gz RVYZDWXKGNLNIM-VIFPVBQESA-N 1 0 301.774 2.866 20 5 DFBDRO C[N@H+](CCSc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596214935 398359133 /nfs/dbraw/zinc/35/91/33/398359133.db2.gz NFSQRXNNXUHAQD-UHFFFAOYSA-N 1 0 319.386 2.920 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000008319221 398372006 /nfs/dbraw/zinc/37/20/06/398372006.db2.gz QZQLPGFCHVKBKY-LBPRGKRZSA-N 1 0 319.365 2.560 20 5 DFBDRO Cc1ccc(C[NH2+][C@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000237752905 398373611 /nfs/dbraw/zinc/37/36/11/398373611.db2.gz VUCAOFBOTYDVJO-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)F ZINC000296636589 529652019 /nfs/dbraw/zinc/65/20/19/529652019.db2.gz XSZHQAVUHKTJRS-GAFUQQFSSA-N 1 0 302.321 2.958 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000090518102 185299818 /nfs/dbraw/zinc/29/98/18/185299818.db2.gz BQKMJKHPTCSNSA-MRXNPFEDSA-N 1 0 319.405 2.801 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000318636863 529690796 /nfs/dbraw/zinc/69/07/96/529690796.db2.gz OETHJSYGAMIOLA-NSHDSACASA-N 1 0 309.366 2.524 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccc(F)cc3)CC2)c1 ZINC000083423254 398387291 /nfs/dbraw/zinc/38/72/91/398387291.db2.gz VWDBBXNROROVPM-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000459390364 299094120 /nfs/dbraw/zinc/09/41/20/299094120.db2.gz PQPKQYDSATXCIG-UHFFFAOYSA-N 1 0 312.753 2.824 20 5 DFBDRO NC(=O)CC[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092660046 185332022 /nfs/dbraw/zinc/33/20/22/185332022.db2.gz UWVMNLWVGFLMHK-GBXSZLQWSA-N 1 0 317.389 2.586 20 5 DFBDRO C[N@H+](CCC(C)(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000592145342 398391237 /nfs/dbraw/zinc/39/12/37/398391237.db2.gz UMHNTJSQHPQJIM-ZDUSSCGKSA-N 1 0 310.394 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)c2ccccc2F)cc1 ZINC000592162326 398394337 /nfs/dbraw/zinc/39/43/37/398394337.db2.gz WJHCFWNNHCSMTD-QGZVFWFLSA-N 1 0 318.348 2.990 20 5 DFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584697776 398398093 /nfs/dbraw/zinc/39/80/93/398398093.db2.gz RMYWDYYGQGTFNY-ZFWWWQNUSA-N 1 0 321.421 2.791 20 5 DFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584697775 398398344 /nfs/dbraw/zinc/39/83/44/398398344.db2.gz RMYWDYYGQGTFNY-UKRRQHHQSA-N 1 0 321.421 2.791 20 5 DFBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592201445 398401417 /nfs/dbraw/zinc/40/14/17/398401417.db2.gz SXRWUXDIVZDDEX-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554468 199317062 /nfs/dbraw/zinc/31/70/62/199317062.db2.gz LNVKBRLMHDRICD-WFASDCNBSA-N 1 0 320.389 2.597 20 5 DFBDRO COCc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000459415163 299100774 /nfs/dbraw/zinc/10/07/74/299100774.db2.gz AYRSOPPTYOBRPG-UHFFFAOYSA-N 1 0 319.361 2.842 20 5 DFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000018058411 398405585 /nfs/dbraw/zinc/40/55/85/398405585.db2.gz QKKMKISASXGIBD-UHFFFAOYSA-N 1 0 308.338 2.789 20 5 DFBDRO CC[N@H+](CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000584754716 398406246 /nfs/dbraw/zinc/40/62/46/398406246.db2.gz YAAUVBINZQEBON-CYBMUJFWSA-N 1 0 307.394 2.545 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592248962 398407505 /nfs/dbraw/zinc/40/75/05/398407505.db2.gz FRHQIPYHRUELCH-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000066944860 398408729 /nfs/dbraw/zinc/40/87/29/398408729.db2.gz CSKWPYRKSOEGTL-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1ccc(OCC[NH2+][C@H](C)c2cccnc2)c([N+](=O)[O-])c1 ZINC000181635430 199330549 /nfs/dbraw/zinc/33/05/49/199330549.db2.gz MZSXRLQIDCTBID-GFCCVEGCSA-N 1 0 317.345 2.728 20 5 DFBDRO CC(C)Cn1nccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000592363152 398416316 /nfs/dbraw/zinc/41/63/16/398416316.db2.gz GAZRATKAISOZIO-UHFFFAOYSA-N 1 0 318.377 2.616 20 5 DFBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000596453332 398416326 /nfs/dbraw/zinc/41/63/26/398416326.db2.gz JMASZQLHLBQSFU-UHFFFAOYSA-N 1 0 303.284 2.611 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000592366740 398416381 /nfs/dbraw/zinc/41/63/81/398416381.db2.gz HXYMQVZACGDDMG-LDYMZIIASA-N 1 0 304.268 2.881 20 5 DFBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181662784 199335175 /nfs/dbraw/zinc/33/51/75/199335175.db2.gz DDVKJDXITPKQFK-KRWDZBQOSA-N 1 0 316.357 2.951 20 5 DFBDRO COc1ccc(Cc2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000592353128 398414835 /nfs/dbraw/zinc/41/48/35/398414835.db2.gz WNXADUYDYAAIOW-NSHDSACASA-N 1 0 320.349 2.623 20 5 DFBDRO C/C(=C/c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592356894 398415029 /nfs/dbraw/zinc/41/50/29/398415029.db2.gz KZOBFXZUYVFBCC-XPSMFNQNSA-N 1 0 300.318 2.963 20 5 DFBDRO COc1cc(C[NH2+]CC2CCC(F)CC2)c([N+](=O)[O-])cc1O ZINC000592377473 398418471 /nfs/dbraw/zinc/41/84/71/398418471.db2.gz UBSDYWMQGVGJNG-UHFFFAOYSA-N 1 0 312.341 2.927 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000592380899 398419166 /nfs/dbraw/zinc/41/91/66/398419166.db2.gz UGGUEADODCWJJI-ONGXEEELSA-N 1 0 312.391 2.596 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000254916947 398423492 /nfs/dbraw/zinc/42/34/92/398423492.db2.gz IRLIXBSZORJYIT-VOKGJARPSA-N 1 0 312.373 2.831 20 5 DFBDRO Cc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426221 398424401 /nfs/dbraw/zinc/42/44/01/398424401.db2.gz NBHMKONTVDEXNJ-JKSUJKDBSA-N 1 0 303.406 2.867 20 5 DFBDRO C[N@H+](CC1CCCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067378584 398432272 /nfs/dbraw/zinc/43/22/72/398432272.db2.gz MFHCPMCAUPJPHW-MRXNPFEDSA-N 1 0 317.389 2.822 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC(C)([NH3+])CC1 ZINC000592485759 398432795 /nfs/dbraw/zinc/43/27/95/398432795.db2.gz YBPURHAGLRJYPR-UHFFFAOYSA-N 1 0 307.394 2.695 20 5 DFBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)[NH+]1CCCC1 ZINC000024203756 398428939 /nfs/dbraw/zinc/42/89/39/398428939.db2.gz BVBQKBCSDXEINO-ZDUSSCGKSA-N 1 0 309.414 2.641 20 5 DFBDRO CCCN(Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592521155 398439898 /nfs/dbraw/zinc/43/98/98/398439898.db2.gz VLCRUEXZXNODNM-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)[C@H]([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000592501091 398435410 /nfs/dbraw/zinc/43/54/10/398435410.db2.gz DTKUWAXTYHSUPY-OAHLLOKOSA-N 1 0 307.394 2.705 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000585726959 398441797 /nfs/dbraw/zinc/44/17/97/398441797.db2.gz MABMFSQFCKPAOY-RYUDHWBXSA-N 1 0 306.284 2.632 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000592545472 398444839 /nfs/dbraw/zinc/44/48/39/398444839.db2.gz SZKTZQCAJNJKSP-ZIAGYGMSSA-N 1 0 319.405 2.719 20 5 DFBDRO CC(C)([NH3+])CCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000592558683 398445046 /nfs/dbraw/zinc/44/50/46/398445046.db2.gz UWNZVGWOJGRQDP-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C(C)(C)c1ccccc1 ZINC000585754398 398445519 /nfs/dbraw/zinc/44/55/19/398445519.db2.gz MEQRIMIRHKSCPF-UHFFFAOYSA-N 1 0 315.373 2.624 20 5 DFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000592568289 398446136 /nfs/dbraw/zinc/44/61/36/398446136.db2.gz MBWZAIMTZASMMX-SNVBAGLBSA-N 1 0 323.780 2.653 20 5 DFBDRO NC(=O)C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000585789449 398446674 /nfs/dbraw/zinc/44/66/74/398446674.db2.gz KXCMXRCXJLBDPT-ZBKLQPJUSA-N 1 0 317.389 2.586 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796332 398447774 /nfs/dbraw/zinc/44/77/74/398447774.db2.gz QLAHJIVBDUFTKC-QWHCGFSZSA-N 1 0 305.378 2.633 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)CO ZINC000294711505 529980364 /nfs/dbraw/zinc/98/03/64/529980364.db2.gz DRSFXIPAAJDAAY-UHFFFAOYSA-N 1 0 318.320 2.647 20 5 DFBDRO C[N@@H+](Cc1ccsc1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000026715687 398455625 /nfs/dbraw/zinc/45/56/25/398455625.db2.gz PFPNPPLAHOWGES-CQSZACIVSA-N 1 0 322.386 2.528 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000089603395 398459313 /nfs/dbraw/zinc/45/93/13/398459313.db2.gz VDDSAEJQDMQZIB-AWEZNQCLSA-N 1 0 305.378 2.568 20 5 DFBDRO Cc1sc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027769420 398467207 /nfs/dbraw/zinc/46/72/07/398467207.db2.gz OGJIHXHTXQGYMO-SNVBAGLBSA-N 1 0 311.407 2.569 20 5 DFBDRO [NH3+][C@@H]1CCO[C@H]1c1cncc(-c2ccc(F)cc2[N+](=O)[O-])c1 ZINC000596637730 398467937 /nfs/dbraw/zinc/46/79/37/398467937.db2.gz OAERMEMLJDRKAL-HIFRSBDPSA-N 1 0 303.293 2.585 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000586944648 398469973 /nfs/dbraw/zinc/46/99/73/398469973.db2.gz BBNKSGKMEBEVTN-GFCCVEGCSA-N 1 0 324.425 2.592 20 5 DFBDRO Cc1cccc(C(=O)NCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000028066328 398471076 /nfs/dbraw/zinc/47/10/76/398471076.db2.gz FNYRYVDGUOZFPV-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286757348 219149998 /nfs/dbraw/zinc/14/99/98/219149998.db2.gz FRDOJGYHORGPMR-RHSMWYFYSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046997 398475400 /nfs/dbraw/zinc/47/54/00/398475400.db2.gz KKZGMOUCKMSCOU-ZFWWWQNUSA-N 1 0 321.421 2.665 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068135564 398482243 /nfs/dbraw/zinc/48/22/43/398482243.db2.gz GGAKDOPRARYGKA-LBPRGKRZSA-N 1 0 323.418 2.747 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592828822 398492075 /nfs/dbraw/zinc/49/20/75/398492075.db2.gz JZXQFMJFKFQQAC-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000030148712 398497726 /nfs/dbraw/zinc/49/77/26/398497726.db2.gz KZOAYEABOLGEMN-LLVKDONJSA-N 1 0 309.366 2.518 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000030276779 398499292 /nfs/dbraw/zinc/49/92/92/398499292.db2.gz WHZQHOJINSPEBD-UHFFFAOYSA-N 1 0 303.318 2.648 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596788465 398501736 /nfs/dbraw/zinc/50/17/36/398501736.db2.gz TYPCJTZBMBAHSJ-LLVKDONJSA-N 1 0 308.382 2.673 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596842538 398511733 /nfs/dbraw/zinc/51/17/33/398511733.db2.gz NKSLBDSHWXXGAB-ZDUSSCGKSA-N 1 0 320.393 2.898 20 5 DFBDRO C[NH+](C)Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000031232723 398513185 /nfs/dbraw/zinc/51/31/85/398513185.db2.gz KBJOJOUSNCRUGO-UHFFFAOYSA-N 1 0 305.359 2.970 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000091180375 398517304 /nfs/dbraw/zinc/51/73/04/398517304.db2.gz PWFOZLGPXBJXIZ-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO CC(C)SCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588926519 398518212 /nfs/dbraw/zinc/51/82/12/398518212.db2.gz JSDOYJNFNUQTOG-UHFFFAOYSA-N 1 0 312.391 2.597 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030044 398525453 /nfs/dbraw/zinc/52/54/53/398525453.db2.gz IRLGKLLUJSORGG-RDJZCZTQSA-N 1 0 303.406 2.868 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030042 398525474 /nfs/dbraw/zinc/52/54/74/398525474.db2.gz IRLGKLLUJSORGG-DOTOQJQBSA-N 1 0 303.406 2.868 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(C3(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000593049836 398530795 /nfs/dbraw/zinc/53/07/95/398530795.db2.gz MAHSNRMOADQJLA-UHFFFAOYSA-N 1 0 320.389 2.730 20 5 DFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593049840 398530801 /nfs/dbraw/zinc/53/08/01/398530801.db2.gz SGSMMOLJCSEKNL-LKFCYVNXSA-N 1 0 302.321 2.760 20 5 DFBDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000593048471 398530080 /nfs/dbraw/zinc/53/00/80/398530080.db2.gz LDKQIUJIBOENBE-GXTWGEPZSA-N 1 0 310.394 2.880 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000593053652 398532294 /nfs/dbraw/zinc/53/22/94/398532294.db2.gz KEDVPLUEXKXGIU-CQSZACIVSA-N 1 0 308.378 2.993 20 5 DFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414143852 295771958 /nfs/dbraw/zinc/77/19/58/295771958.db2.gz LXRNOBAJOMKIED-LJISPDSOSA-N 1 0 322.409 2.821 20 5 DFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459609132 299146908 /nfs/dbraw/zinc/14/69/08/299146908.db2.gz IQVGCXAJCISTAO-KEYYUXOJSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@H]1CN(CCOc2ccccc2[N+](=O)[O-])C2(CCC2)CO1 ZINC000593093872 398543406 /nfs/dbraw/zinc/54/34/06/398543406.db2.gz VWRSSZZCJIUMCU-ZDUSSCGKSA-N 1 0 306.362 2.617 20 5 DFBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000319968420 398544548 /nfs/dbraw/zinc/54/45/48/398544548.db2.gz ICHBCELVVYVPOM-LBPRGKRZSA-N 1 0 308.378 2.705 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000320474413 398547479 /nfs/dbraw/zinc/54/74/79/398547479.db2.gz AMNVHVFQBVUOKS-NSHDSACASA-N 1 0 303.366 2.679 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C1CC1 ZINC000593128305 398553725 /nfs/dbraw/zinc/55/37/25/398553725.db2.gz FSPYXFXZOYYAMT-LSDHHAIUSA-N 1 0 318.373 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000069249386 398559442 /nfs/dbraw/zinc/55/94/42/398559442.db2.gz KYVKMYDLLQXTNX-CQSZACIVSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000287001378 219263450 /nfs/dbraw/zinc/26/34/50/219263450.db2.gz QYYCQWPKBAJPRO-RHSMWYFYSA-N 1 0 319.405 2.532 20 5 DFBDRO C[N@H+](CCCNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000069499825 398572880 /nfs/dbraw/zinc/57/28/80/398572880.db2.gz AELMZYDBNPNYIT-UHFFFAOYSA-N 1 0 319.405 2.979 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000593229313 398576143 /nfs/dbraw/zinc/57/61/43/398576143.db2.gz JNCUUJYLANGFAO-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[C@H]2CO)o1 ZINC000092455776 398577362 /nfs/dbraw/zinc/57/73/62/398577362.db2.gz HTNRHAYAUGBDDO-LBPRGKRZSA-N 1 0 302.330 2.812 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000092454934 398577702 /nfs/dbraw/zinc/57/77/02/398577702.db2.gz PQKXCMDEQLGCIO-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092471193 398578944 /nfs/dbraw/zinc/57/89/44/398578944.db2.gz DIJOEEVPPBQDHP-LBPRGKRZSA-N 1 0 300.362 2.837 20 5 DFBDRO CC[N@H+](CCCNC(=O)c1cc([N+](=O)[O-])c[nH]1)C1CCCCC1 ZINC000593251601 398581236 /nfs/dbraw/zinc/58/12/36/398581236.db2.gz LHHNWTKTTFGPQK-UHFFFAOYSA-N 1 0 322.409 2.697 20 5 DFBDRO CC[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCCC1 ZINC000042110485 398582978 /nfs/dbraw/zinc/58/29/78/398582978.db2.gz DHGZDRXTVRUQOP-SNVBAGLBSA-N 1 0 309.395 2.590 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c(F)c1 ZINC000589938942 398584450 /nfs/dbraw/zinc/58/44/50/398584450.db2.gz GJJUMQVKXBEYHX-BXKDBHETSA-N 1 0 322.258 2.669 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NCCC2CC[NH+](C)CC2)c1 ZINC000092631854 398589430 /nfs/dbraw/zinc/58/94/30/398589430.db2.gz DFTYGYYNQGXTIS-UHFFFAOYSA-N 1 0 311.357 2.886 20 5 DFBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000092639812 398589646 /nfs/dbraw/zinc/58/96/46/398589646.db2.gz UMCOVZUILRPEHK-UHFFFAOYSA-N 1 0 315.320 2.950 20 5 DFBDRO CC(C)([NH2+]CCOC[C@H]1CCCO1)c1ccccc1[N+](=O)[O-] ZINC000590019904 398590683 /nfs/dbraw/zinc/59/06/83/398590683.db2.gz XUQBSXXDOLWHMV-CYBMUJFWSA-N 1 0 308.378 2.615 20 5 DFBDRO CCOc1cc(N2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000092656387 398590925 /nfs/dbraw/zinc/59/09/25/398590925.db2.gz RHUWVMKCJCSACF-OAHLLOKOSA-N 1 0 307.394 2.770 20 5 DFBDRO CCOc1cc(N[C@@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000092652075 398590000 /nfs/dbraw/zinc/59/00/00/398590000.db2.gz KQSZKLXMAWWEKZ-CQSZACIVSA-N 1 0 305.378 2.890 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000092672380 398593013 /nfs/dbraw/zinc/59/30/13/398593013.db2.gz XXMWWGZUXFGFSI-UWVGGRQHSA-N 1 0 309.341 2.780 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000092672389 398593165 /nfs/dbraw/zinc/59/31/65/398593165.db2.gz XXMWWGZUXFGFSI-VHSXEESVSA-N 1 0 309.341 2.780 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000597219279 398593736 /nfs/dbraw/zinc/59/37/36/398593736.db2.gz AKRYMKGGHFXRHO-HPAJIGNASA-N 1 0 303.362 2.700 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000593315563 398596413 /nfs/dbraw/zinc/59/64/13/398596413.db2.gz LMCNVMPOSILBQE-DVJJNNKXSA-N 1 0 301.390 2.669 20 5 DFBDRO C[C@@H](O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000597233970 398599808 /nfs/dbraw/zinc/59/98/08/398599808.db2.gz DQNLQASECBNMTA-LLVKDONJSA-N 1 0 302.330 2.858 20 5 DFBDRO C[C@@H](O)C1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000597234355 398599949 /nfs/dbraw/zinc/59/99/49/398599949.db2.gz JMZYOZABEAKUHY-LLVKDONJSA-N 1 0 302.330 2.858 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000597236488 398600867 /nfs/dbraw/zinc/60/08/67/398600867.db2.gz QRIXUWRSAXKWHT-PPYZAHLJSA-N 1 0 304.390 2.948 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000597245685 398605914 /nfs/dbraw/zinc/60/59/14/398605914.db2.gz LQTJYUFNSCJRRL-BFJAYTPKSA-N 1 0 318.373 2.581 20 5 DFBDRO Cc1c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000043113235 398612787 /nfs/dbraw/zinc/61/27/87/398612787.db2.gz JHRDJWUXXCGFMT-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150753711 186063369 /nfs/dbraw/zinc/06/33/69/186063369.db2.gz ZCXYIWLZZNXGFE-CQSZACIVSA-N 1 0 317.389 2.685 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287118529 219325388 /nfs/dbraw/zinc/32/53/88/219325388.db2.gz XBUYLNKTDPHKEE-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000459703663 299167777 /nfs/dbraw/zinc/16/77/77/299167777.db2.gz GOKYFQFIDOOIRO-OAHLLOKOSA-N 1 0 308.378 2.865 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593454846 398633788 /nfs/dbraw/zinc/63/37/88/398633788.db2.gz NEVULZFCWXTGFQ-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697581 398631058 /nfs/dbraw/zinc/63/10/58/398631058.db2.gz IYIUWXWDHTUKBH-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO COCCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171499018 186169362 /nfs/dbraw/zinc/16/93/62/186169362.db2.gz LUBKDQLQNRVNDW-UHFFFAOYSA-N 1 0 307.394 2.534 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000414655824 295812494 /nfs/dbraw/zinc/81/24/94/295812494.db2.gz HNNAFUBDIUVLMI-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000177899088 186201275 /nfs/dbraw/zinc/20/12/75/186201275.db2.gz ZHADCANHUDXMSR-WDEREUQCSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000414659889 295812782 /nfs/dbraw/zinc/81/27/82/295812782.db2.gz NNSIFPSYADRZSC-AAEUAGOBSA-N 1 0 306.366 2.542 20 5 DFBDRO CC1([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183855695 186224673 /nfs/dbraw/zinc/22/46/73/186224673.db2.gz UYZQBYCMITWZPW-AWEZNQCLSA-N 1 0 306.362 2.570 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000188026268 186245866 /nfs/dbraw/zinc/24/58/66/186245866.db2.gz KXUZYQYRMKXGMU-MDZDMXLPSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1c(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000237497845 186298029 /nfs/dbraw/zinc/29/80/29/186298029.db2.gz PKLWDWGYULTOTJ-YPMHNXCESA-N 1 0 305.378 2.868 20 5 DFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)CC(C)(C)O ZINC000265157566 186343613 /nfs/dbraw/zinc/34/36/13/186343613.db2.gz QHLYEOVGXQRVKE-UHFFFAOYSA-N 1 0 310.394 2.975 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CC(C)(C)C1 ZINC000459748283 299181159 /nfs/dbraw/zinc/18/11/59/299181159.db2.gz WMKCGSHLSRYSJU-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@H]1C ZINC000172592498 198119686 /nfs/dbraw/zinc/11/96/86/198119686.db2.gz RIKMDSZDTZKJIO-GFCCVEGCSA-N 1 0 323.418 2.669 20 5 DFBDRO COC[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590764705 398669359 /nfs/dbraw/zinc/66/93/59/398669359.db2.gz GVYNXLKJNODTKB-OAHLLOKOSA-N 1 0 308.378 2.865 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593688500 398671041 /nfs/dbraw/zinc/67/10/41/398671041.db2.gz UREXYPRUSQCZSU-QXSWTLKVSA-N 1 0 320.389 2.519 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC[C@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000593691269 398671632 /nfs/dbraw/zinc/67/16/32/398671632.db2.gz RVRKOAOFPXNGHH-QGZVFWFLSA-N 1 0 322.405 2.739 20 5 DFBDRO CCC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718932 398676907 /nfs/dbraw/zinc/67/69/07/398676907.db2.gz BJVXZDPMMZCUOE-IRXDYDNUSA-N 1 0 322.405 2.957 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCN2CCCC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000593723712 398676957 /nfs/dbraw/zinc/67/69/57/398676957.db2.gz QKLHVEPOYFHSOE-HNNXBMFYSA-N 1 0 317.389 2.529 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000173049780 198180817 /nfs/dbraw/zinc/18/08/17/198180817.db2.gz HSGUJYIIZYNLRK-HNNXBMFYSA-N 1 0 321.421 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC000459791220 299194393 /nfs/dbraw/zinc/19/43/93/299194393.db2.gz SUDFZTOALZBUIZ-KWCYVHTRSA-N 1 0 314.345 2.923 20 5 DFBDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173406389 198211467 /nfs/dbraw/zinc/21/14/67/198211467.db2.gz RXQSDUFIYXGCCS-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459795945 299195902 /nfs/dbraw/zinc/19/59/02/299195902.db2.gz YJIIJYXSPQXDFM-FIXIBIHLSA-N 1 0 303.362 2.700 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173571052 198229114 /nfs/dbraw/zinc/22/91/14/198229114.db2.gz UHYRSWWMCOUGOM-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000459805690 299196888 /nfs/dbraw/zinc/19/68/88/299196888.db2.gz PUMQTKSHRIIWMZ-WBVHZDCISA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1nc(C)c(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000331933354 234294192 /nfs/dbraw/zinc/29/41/92/234294192.db2.gz OEQVHOZVXMQSQG-UHFFFAOYSA-N 1 0 321.406 2.702 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174210919 198305998 /nfs/dbraw/zinc/30/59/98/198305998.db2.gz BRWPVIIYLUGZAZ-OAHLLOKOSA-N 1 0 321.421 2.637 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000332009532 234382255 /nfs/dbraw/zinc/38/22/55/234382255.db2.gz WNJLZJIYQBNVBL-DUFGSWQCSA-N 1 0 320.389 2.518 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593906193 398702030 /nfs/dbraw/zinc/70/20/30/398702030.db2.gz SMOOEEFCZOHWCX-TUKIKUTGSA-N 1 0 317.389 2.611 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854790 398704802 /nfs/dbraw/zinc/70/48/02/398704802.db2.gz LOGPCOOPWVWJPX-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000174440034 198335720 /nfs/dbraw/zinc/33/57/20/198335720.db2.gz FOQKVSXDMONATL-MRXNPFEDSA-N 1 0 304.346 2.802 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597861891 398706265 /nfs/dbraw/zinc/70/62/65/398706265.db2.gz XUSWEMPVYDOOIH-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174873270 198395599 /nfs/dbraw/zinc/39/55/99/198395599.db2.gz GXHCEIKBJGCQMB-NSHDSACASA-N 1 0 323.422 2.812 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073140880 191282183 /nfs/dbraw/zinc/28/21/83/191282183.db2.gz FQYIDPFXUFFWML-ZDUSSCGKSA-N 1 0 305.378 2.822 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000590970316 398711194 /nfs/dbraw/zinc/71/11/94/398711194.db2.gz QKBBCOACKVWRRT-HZPDHXFCSA-N 1 0 302.374 2.904 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000182177789 199398148 /nfs/dbraw/zinc/39/81/48/199398148.db2.gz VGUFKEDIRBYKMM-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCc2cncn2C)cc1[N+](=O)[O-] ZINC000593970482 398711358 /nfs/dbraw/zinc/71/13/58/398711358.db2.gz LPIPKMKYTIZMPD-ZDUSSCGKSA-N 1 0 302.378 2.920 20 5 DFBDRO CC1(C)CC(NC(=O)Cc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000175113821 198429835 /nfs/dbraw/zinc/42/98/35/198429835.db2.gz ZOMGYFIIGVKVEJ-UHFFFAOYSA-N 1 0 319.405 2.563 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000129188367 283005345 /nfs/dbraw/zinc/00/53/45/283005345.db2.gz FERJDSKLISZBCD-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000129798256 283028583 /nfs/dbraw/zinc/02/85/83/283028583.db2.gz KUQVBLYWSSPEAD-GFCCVEGCSA-N 1 0 323.393 2.832 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415477520 295885811 /nfs/dbraw/zinc/88/58/11/295885811.db2.gz BJHOPVFLOOGOGO-GFCCVEGCSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046953657 398727227 /nfs/dbraw/zinc/72/72/27/398727227.db2.gz GYMVGEVCNOEOST-QWHCGFSZSA-N 1 0 319.405 2.753 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000236810287 202020160 /nfs/dbraw/zinc/02/01/60/202020160.db2.gz AWSMXSCAUOSISJ-UHFFFAOYSA-N 1 0 311.407 2.564 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415578923 295891616 /nfs/dbraw/zinc/89/16/16/295891616.db2.gz JHYZFASBCPHQQA-QWHCGFSZSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1C ZINC000591152871 398733305 /nfs/dbraw/zinc/73/33/05/398733305.db2.gz NICINETWQAGNLD-SECBINFHSA-N 1 0 318.299 2.539 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000591306266 398746953 /nfs/dbraw/zinc/74/69/53/398746953.db2.gz ZVDDUVMIKDVWHQ-UHFFFAOYSA-N 1 0 320.393 2.766 20 5 DFBDRO CC[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH3+] ZINC000591437263 398761027 /nfs/dbraw/zinc/76/10/27/398761027.db2.gz FSKPQVCWSRXUOQ-IAQYHMDHSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc1-c1ccccc1 ZINC000591438579 398761048 /nfs/dbraw/zinc/76/10/48/398761048.db2.gz NKBRJHOFGWRQSV-UKRRQHHQSA-N 1 0 324.384 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC4(CC[NH2+]C4)CC3)ccc2c1 ZINC000591441424 398761660 /nfs/dbraw/zinc/76/16/60/398761660.db2.gz APANOSXVDFDFKT-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1cnc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000591442973 398761744 /nfs/dbraw/zinc/76/17/44/398761744.db2.gz VSBQNDUYZRYFCF-UONOGXRCSA-N 1 0 304.394 2.514 20 5 DFBDRO CCOc1cccc(NC2CC[NH+](CCOC)CC2)c1[N+](=O)[O-] ZINC000184079884 199670382 /nfs/dbraw/zinc/67/03/82/199670382.db2.gz KNXBOCDCSSIXCQ-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1cc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000074738713 398762703 /nfs/dbraw/zinc/76/27/03/398762703.db2.gz BZGYFKPGWVFYDV-BETUJISGSA-N 1 0 322.409 2.598 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594195770 398762704 /nfs/dbraw/zinc/76/27/04/398762704.db2.gz JAXQCHPSKOTRQF-GOEBONIOSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000074738715 398762893 /nfs/dbraw/zinc/76/28/93/398762893.db2.gz BZGYFKPGWVFYDV-CHWSQXEVSA-N 1 0 322.409 2.598 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591449314 398763199 /nfs/dbraw/zinc/76/31/99/398763199.db2.gz VCAKFOFEUOUGGX-CJNGLKHVSA-N 1 0 319.405 2.566 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000591443320 398762361 /nfs/dbraw/zinc/76/23/61/398762361.db2.gz ZNZZHBVFLKQTQO-LSDHHAIUSA-N 1 0 318.421 2.823 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594202808 398764729 /nfs/dbraw/zinc/76/47/29/398764729.db2.gz SGBYYTXALXRXHK-CABCVRRESA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202869 398764738 /nfs/dbraw/zinc/76/47/38/398764738.db2.gz UEWLRVUPDBGSKI-HOTGVXAUSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000074772724 398765763 /nfs/dbraw/zinc/76/57/63/398765763.db2.gz SXQVSPYVRWMFIQ-LBPRGKRZSA-N 1 0 324.812 2.811 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@H](CCO)CC2)cc1 ZINC000591478562 398767586 /nfs/dbraw/zinc/76/75/86/398767586.db2.gz HNSYPAKVGFBOSE-OAHLLOKOSA-N 1 0 322.405 2.848 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000236866386 202043473 /nfs/dbraw/zinc/04/34/73/202043473.db2.gz OXVQYZYXZWEOPC-JTQLQIEISA-N 1 0 311.407 2.564 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594307991 398781953 /nfs/dbraw/zinc/78/19/53/398781953.db2.gz HKCSGGQTVXBLFC-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000237024937 202127387 /nfs/dbraw/zinc/12/73/87/202127387.db2.gz RETZOSVCGJEJMD-NFAWXSAZSA-N 1 0 305.378 2.680 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000594390147 398791207 /nfs/dbraw/zinc/79/12/07/398791207.db2.gz SSUVPBHRDJZMIJ-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO COc1ccccc1C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000237177948 202176825 /nfs/dbraw/zinc/17/68/25/202176825.db2.gz VPWVOMWADJWOLP-UHFFFAOYSA-N 1 0 302.330 2.902 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000276856088 213136632 /nfs/dbraw/zinc/13/66/32/213136632.db2.gz FOVXCQUBHSOPCW-OAHLLOKOSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[N@H+]2[C@@H](CO)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276826543 213117373 /nfs/dbraw/zinc/11/73/73/213117373.db2.gz ALMFVLJRGDJDRT-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC(=O)OC(C)(C)C ZINC000150929494 283271329 /nfs/dbraw/zinc/27/13/29/283271329.db2.gz MQUDNTUMGNQXEC-UHFFFAOYSA-N 1 0 324.377 2.637 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000151435318 283284656 /nfs/dbraw/zinc/28/46/56/283284656.db2.gz VTYXAVZWHDYYJE-HIFRSBDPSA-N 1 0 310.394 2.587 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594495348 398809767 /nfs/dbraw/zinc/80/97/67/398809767.db2.gz VLMPTJPZFPITCA-ZENOOKHLSA-N 1 0 301.390 2.799 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000594494923 398809731 /nfs/dbraw/zinc/80/97/31/398809731.db2.gz LLHFRDYQAFQZCA-BBRMVZONSA-N 1 0 301.390 2.656 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000594496627 398810303 /nfs/dbraw/zinc/81/03/03/398810303.db2.gz PTAOHCUYMKSYKK-WFASDCNBSA-N 1 0 312.373 2.946 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000151816039 283297414 /nfs/dbraw/zinc/29/74/14/283297414.db2.gz IYCGTVONXCCSTN-UHFFFAOYSA-N 1 0 313.785 2.660 20 5 DFBDRO CCOC(=O)C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616805 398813622 /nfs/dbraw/zinc/81/36/22/398813622.db2.gz TUZNUBWWSRZHCW-LBPRGKRZSA-N 1 0 306.362 2.931 20 5 DFBDRO CCC[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000179401741 199029686 /nfs/dbraw/zinc/02/96/86/199029686.db2.gz PAMLXTBUATWXBM-INIZCTEOSA-N 1 0 321.421 2.764 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594522067 398815990 /nfs/dbraw/zinc/81/59/90/398815990.db2.gz XRWDPKJAGCHXBR-HZPDHXFCSA-N 1 0 307.369 2.840 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc(CO)cc1 ZINC000594516296 398814663 /nfs/dbraw/zinc/81/46/63/398814663.db2.gz XWOBRBUTQUCLBR-QGZVFWFLSA-N 1 0 312.369 2.907 20 5 DFBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000179663421 199072607 /nfs/dbraw/zinc/07/26/07/199072607.db2.gz IBPRUJCFHGBXIY-ZDUSSCGKSA-N 1 0 318.377 2.929 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000598466138 398817757 /nfs/dbraw/zinc/81/77/57/398817757.db2.gz KXAPXSZWRKPNHV-UHFFFAOYSA-N 1 0 321.421 2.682 20 5 DFBDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075673895 398816270 /nfs/dbraw/zinc/81/62/70/398816270.db2.gz ZYNSFQWZRFEHKX-GXTWGEPZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)N(CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000179659104 199071397 /nfs/dbraw/zinc/07/13/97/199071397.db2.gz MMKLJEUFEQNEOT-UHFFFAOYSA-N 1 0 317.345 2.551 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000594546317 398818868 /nfs/dbraw/zinc/81/88/68/398818868.db2.gz CQTWRPQIIYHVFJ-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000594591233 398825583 /nfs/dbraw/zinc/82/55/83/398825583.db2.gz IKRYVNAFPGPYRM-BJHJDKERSA-N 1 0 304.394 2.621 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000594592162 398825661 /nfs/dbraw/zinc/82/56/61/398825661.db2.gz NJSZYKZFDCLXMO-TXEJJXNPSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC([NH+]2CCCC2)CC1 ZINC000051953631 398828300 /nfs/dbraw/zinc/82/83/00/398828300.db2.gz VKNLEUMMHVHRIE-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)c(C(F)(F)F)c1 ZINC000051869605 398826379 /nfs/dbraw/zinc/82/63/79/398826379.db2.gz RNOBDWJFCPPCBV-UHFFFAOYSA-N 1 0 304.268 2.992 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000594595346 398826952 /nfs/dbraw/zinc/82/69/52/398826952.db2.gz WBMPZRCYXOFSAQ-UHFFFAOYSA-N 1 0 310.373 2.627 20 5 DFBDRO COC(=O)C[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179888837 199091273 /nfs/dbraw/zinc/09/12/73/199091273.db2.gz QZMBHYKJXCMGDX-BTKRWWFXSA-N 1 0 304.346 2.636 20 5 DFBDRO Cc1nn(C)c(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000052034688 398830931 /nfs/dbraw/zinc/83/09/31/398830931.db2.gz XTTSGSFITHGXCN-AWEZNQCLSA-N 1 0 323.441 2.805 20 5 DFBDRO O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598562136 398832096 /nfs/dbraw/zinc/83/20/96/398832096.db2.gz UNDYKRVJQZIZMD-LBPRGKRZSA-N 1 0 323.418 2.508 20 5 DFBDRO CC(=O)c1ccc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000052207186 398836046 /nfs/dbraw/zinc/83/60/46/398836046.db2.gz CEPUBLYLGFXKEM-LBPRGKRZSA-N 1 0 305.378 2.941 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276692075 213048926 /nfs/dbraw/zinc/04/89/26/213048926.db2.gz HICUTIJOSFPUGV-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCOc1cncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000598632680 398844215 /nfs/dbraw/zinc/84/42/15/398844215.db2.gz CLADMRICCAFFON-UHFFFAOYSA-N 1 0 301.346 2.721 20 5 DFBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000594698447 398844510 /nfs/dbraw/zinc/84/45/10/398844510.db2.gz ITZHICUGBLTCPF-HNNXBMFYSA-N 1 0 314.341 2.629 20 5 DFBDRO Cc1cc(N2CC3CC2(C[NH3+])C3)c([N+](=O)[O-])cc1C(F)(F)F ZINC000594698619 398844762 /nfs/dbraw/zinc/84/47/62/398844762.db2.gz ODSWHHHPJHQKNV-UHFFFAOYSA-N 1 0 315.295 2.850 20 5 DFBDRO [NH3+]CC12CC(C1)CN2c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000594697944 398844833 /nfs/dbraw/zinc/84/48/33/398844833.db2.gz BCAHUKWDBZRGMJ-UHFFFAOYSA-N 1 0 301.268 2.541 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594710207 398846446 /nfs/dbraw/zinc/84/64/46/398846446.db2.gz JKICKNBJUUHFBZ-WBMJQRKESA-N 1 0 308.378 2.687 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000467631417 299273892 /nfs/dbraw/zinc/27/38/92/299273892.db2.gz XHGTUUGODBHHOO-HNNXBMFYSA-N 1 0 321.421 2.863 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccnn2C)cc1[N+](=O)[O-] ZINC000152860229 283342585 /nfs/dbraw/zinc/34/25/85/283342585.db2.gz VXTCQDKJBPAMPD-NSHDSACASA-N 1 0 304.350 2.578 20 5 DFBDRO CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427135 199157424 /nfs/dbraw/zinc/15/74/24/199157424.db2.gz FSHBSMRYFSMBJF-ZDUSSCGKSA-N 1 0 307.394 2.894 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000276663097 213031626 /nfs/dbraw/zinc/03/16/26/213031626.db2.gz CBPKUIJSJHWQME-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000076682129 398865106 /nfs/dbraw/zinc/86/51/06/398865106.db2.gz AUJIPYNREHRFAX-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC(C)C ZINC000053365405 398869468 /nfs/dbraw/zinc/86/94/68/398869468.db2.gz MZXFRZRRKHNFTR-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CC(C)([NH2+]Cc1cnn2c1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000594941753 398877756 /nfs/dbraw/zinc/87/77/56/398877756.db2.gz UKLBBUVOKUFJTG-UHFFFAOYSA-N 1 0 300.362 2.762 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000594959684 398881577 /nfs/dbraw/zinc/88/15/77/398881577.db2.gz XBKPTEZTTFNWNG-GXTWGEPZSA-N 1 0 303.362 2.776 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594961271 398882372 /nfs/dbraw/zinc/88/23/72/398882372.db2.gz MLLILKWMJIJRHS-QHHQGWHJSA-N 1 0 322.430 2.887 20 5 DFBDRO COc1cc(C[NH2+]C[C@@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000594983624 398886591 /nfs/dbraw/zinc/88/65/91/398886591.db2.gz GXZZVNNGVJPEGV-CYBMUJFWSA-N 1 0 316.304 2.747 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000054056786 398888403 /nfs/dbraw/zinc/88/84/03/398888403.db2.gz CKBUYXCQFRALAX-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCOC1(C)C ZINC000594996893 398888753 /nfs/dbraw/zinc/88/87/53/398888753.db2.gz VEJJMCYUHWEFBT-CYBMUJFWSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)cc1 ZINC000594999206 398888872 /nfs/dbraw/zinc/88/88/72/398888872.db2.gz QIEKPPOSVWZUNH-SFHVURJKSA-N 1 0 311.385 2.959 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000595000576 398889512 /nfs/dbraw/zinc/88/95/12/398889512.db2.gz LWJCGNMHJKCJHA-FZMZJTMJSA-N 1 0 306.387 2.911 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCC(F)(F)CC2)cs1 ZINC000595001280 398889592 /nfs/dbraw/zinc/88/95/92/398889592.db2.gz UTXQARVVJAAQNQ-UHFFFAOYSA-N 1 0 306.334 2.686 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CSCCF ZINC000595010853 398890858 /nfs/dbraw/zinc/89/08/58/398890858.db2.gz JEEFXPZVDUDCRO-JTQLQIEISA-N 1 0 302.371 2.784 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000595009038 398890896 /nfs/dbraw/zinc/89/08/96/398890896.db2.gz BCWJMCXCNOBEFW-BFQNTYOBSA-N 1 0 319.405 2.737 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000595018325 398892301 /nfs/dbraw/zinc/89/23/01/398892301.db2.gz MINFGGKEFRNAKU-RWMBFGLXSA-N 1 0 319.405 2.879 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000595018306 398892523 /nfs/dbraw/zinc/89/25/23/398892523.db2.gz MFVXSUOHNDYWTK-RWMBFGLXSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000595017267 398892670 /nfs/dbraw/zinc/89/26/70/398892670.db2.gz LFMZACRTQUEFHD-ZIAGYGMSSA-N 1 0 321.421 2.986 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000598914342 398892857 /nfs/dbraw/zinc/89/28/57/398892857.db2.gz AUQIFWSYKUDPJP-ZJUUUORDSA-N 1 0 324.768 2.606 20 5 DFBDRO C[C@H](CCCC[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914116 398892909 /nfs/dbraw/zinc/89/29/09/398892909.db2.gz YZZZDIDPCAWAQW-SECBINFHSA-N 1 0 314.773 2.887 20 5 DFBDRO [NH3+]CC1(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000598915946 398892972 /nfs/dbraw/zinc/89/29/72/398892972.db2.gz RBKTYQURWQGYLY-UHFFFAOYSA-N 1 0 312.757 2.641 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000595037798 398895698 /nfs/dbraw/zinc/89/56/98/398895698.db2.gz ILYHXMUTNPOTCF-XHDPSFHLSA-N 1 0 308.378 2.805 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041958 398896340 /nfs/dbraw/zinc/89/63/40/398896340.db2.gz RHYMXXRQCQVRKN-QWHCGFSZSA-N 1 0 309.410 2.984 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@@H](O)C(F)F ZINC000595040258 398896638 /nfs/dbraw/zinc/89/66/38/398896638.db2.gz FSMQAWMOVNDNBX-LJUAHTATSA-N 1 0 318.320 2.659 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000595039973 398896744 /nfs/dbraw/zinc/89/67/44/398896744.db2.gz JJGVPRBIXYDQII-MRVPVSSYSA-N 1 0 308.256 2.790 20 5 DFBDRO [NH3+]CCN(CCc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000261724149 283435361 /nfs/dbraw/zinc/43/53/61/283435361.db2.gz IRRNSDXCSOYSQT-UHFFFAOYSA-N 1 0 317.364 2.737 20 5 DFBDRO COC[C@@H](CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000595061184 398899842 /nfs/dbraw/zinc/89/98/42/398899842.db2.gz QSAGIGKJCLIYIC-GDBMZVCRSA-N 1 0 308.378 2.613 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000276325707 212805228 /nfs/dbraw/zinc/80/52/28/212805228.db2.gz HSQLALGWRSZSJJ-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000595068348 398902129 /nfs/dbraw/zinc/90/21/29/398902129.db2.gz KWOBLUPXEMXMTO-MFKMUULPSA-N 1 0 300.305 2.978 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@](C)=O)CCC1 ZINC000280981870 216002980 /nfs/dbraw/zinc/00/29/80/216002980.db2.gz JBZUYRKAJDTTDW-XMHCIUCPSA-N 1 0 324.446 2.807 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000470156195 299292199 /nfs/dbraw/zinc/29/21/99/299292199.db2.gz KVEAYSYEYFJNGM-KLAHQYIXSA-N 1 0 318.373 2.882 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccoc2)n1 ZINC000595092498 398903695 /nfs/dbraw/zinc/90/36/95/398903695.db2.gz YAGNOYAHMGSXFI-KBPBESRZSA-N 1 0 304.350 2.700 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000598987002 398903972 /nfs/dbraw/zinc/90/39/72/398903972.db2.gz HJOZBUJSLXSXEM-GRYCIOLGSA-N 1 0 306.362 2.835 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595107413 398906112 /nfs/dbraw/zinc/90/61/12/398906112.db2.gz YHAKLTMWRZEMOT-QWHCGFSZSA-N 1 0 319.405 2.892 20 5 DFBDRO COC(=O)[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470176725 299293554 /nfs/dbraw/zinc/29/35/54/299293554.db2.gz YLGYZPZEZFVJOX-CTXBLAANSA-N 1 0 318.373 2.883 20 5 DFBDRO COC(=O)[C@@]1(C)CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470182869 299293254 /nfs/dbraw/zinc/29/32/54/299293254.db2.gz OCPHWEHCRUBRIM-GQPJMJRUSA-N 1 0 318.373 2.883 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1cnccn1 ZINC000470216595 299293309 /nfs/dbraw/zinc/29/33/09/299293309.db2.gz TZILWVHGFKWTPJ-GXDHUFHOSA-N 1 0 312.373 2.963 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599020458 398908537 /nfs/dbraw/zinc/90/85/37/398908537.db2.gz QEHFNNOTBLCDID-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO COC(=O)CC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000599033751 398910182 /nfs/dbraw/zinc/91/01/82/398910182.db2.gz BNQDWIHXFKCPJV-UHFFFAOYSA-N 1 0 306.362 2.806 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221807 398910935 /nfs/dbraw/zinc/91/09/35/398910935.db2.gz FUXMMMOJOIMVSA-GFCCVEGCSA-N 1 0 323.418 2.508 20 5 DFBDRO O=[N+]([O-])c1c(NCC[NH+]2CCSCC2)ccc2cnccc21 ZINC000599042789 398911712 /nfs/dbraw/zinc/91/17/12/398911712.db2.gz IQXCNPIILATXOE-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)Cc1ccsc1 ZINC000187791649 200157435 /nfs/dbraw/zinc/15/74/35/200157435.db2.gz CTZZFQZHCSIVFG-LBPRGKRZSA-N 1 0 308.407 2.806 20 5 DFBDRO C[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000599059419 398914346 /nfs/dbraw/zinc/91/43/46/398914346.db2.gz ALGWIFXISYVFKQ-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO Cn1ccnc1[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599058228 398914453 /nfs/dbraw/zinc/91/44/53/398914453.db2.gz GBSCJYUCMPCRFF-ZDUSSCGKSA-N 1 0 323.356 2.870 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595275561 398915305 /nfs/dbraw/zinc/91/53/05/398915305.db2.gz OFGCCSOCSCTANN-CQSZACIVSA-N 1 0 322.409 2.503 20 5 DFBDRO O=C1Nc2ccccc2C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075361 398917849 /nfs/dbraw/zinc/91/78/49/398917849.db2.gz VSRRNRFJNDHLBG-HZPDHXFCSA-N 1 0 323.352 2.735 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000237570201 202289294 /nfs/dbraw/zinc/28/92/94/202289294.db2.gz RQKKHGSCMDPQPN-YHWZYXNKSA-N 1 0 303.362 2.762 20 5 DFBDRO CCC(CC)[NH2+]CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000599098729 398920749 /nfs/dbraw/zinc/92/07/49/398920749.db2.gz YWAZYVYZAGNIFU-UHFFFAOYSA-N 1 0 309.395 2.790 20 5 DFBDRO CCC(CC)[NH2+]CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000599098428 398920929 /nfs/dbraw/zinc/92/09/29/398920929.db2.gz UJVAKWPVZUXRJU-UHFFFAOYSA-N 1 0 320.393 2.670 20 5 DFBDRO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000595326308 398922721 /nfs/dbraw/zinc/92/27/21/398922721.db2.gz BBAODBINDCRIBR-GLQYFDAESA-N 1 0 323.393 2.917 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000599127007 398925208 /nfs/dbraw/zinc/92/52/08/398925208.db2.gz LRBNENLWUCYCJT-GFCCVEGCSA-N 1 0 308.357 2.948 20 5 DFBDRO CC[C@H]([NH2+]CC1(O)CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000151610202 398926741 /nfs/dbraw/zinc/92/67/41/398926741.db2.gz OBQBSCZFVFKPSI-AWEZNQCLSA-N 1 0 310.419 2.894 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287778614 219725257 /nfs/dbraw/zinc/72/52/57/219725257.db2.gz RZYIWILPGAPYMW-DGCLKSJQSA-N 1 0 318.295 2.837 20 5 DFBDRO Cn1cncc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349337 296012530 /nfs/dbraw/zinc/01/25/30/296012530.db2.gz KWRMZUXLKHLHIC-INIZCTEOSA-N 1 0 300.362 2.886 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153237883 398935095 /nfs/dbraw/zinc/93/50/95/398935095.db2.gz JGUBUDAIEKGEBI-CHWSQXEVSA-N 1 0 303.362 2.574 20 5 DFBDRO CC(C)(C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)OCCO ZINC000417353664 296013180 /nfs/dbraw/zinc/01/31/80/296013180.db2.gz XVKPGQLUCYAZNA-INIZCTEOSA-N 1 0 322.405 2.739 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000595426754 398935994 /nfs/dbraw/zinc/93/59/94/398935994.db2.gz QLEUUOSMJXUDLG-AWEZNQCLSA-N 1 0 308.353 2.982 20 5 DFBDRO Cc1noc(C[NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000595435968 398937626 /nfs/dbraw/zinc/93/76/26/398937626.db2.gz KSILEZRJYBBWAC-RDGWCUKFSA-N 1 0 317.345 2.934 20 5 DFBDRO CCc1nnc([C@@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595477425 398946551 /nfs/dbraw/zinc/94/65/51/398946551.db2.gz SQMWUCFZTQLRDW-LLVKDONJSA-N 1 0 303.366 2.511 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCC2 ZINC000595482319 398947678 /nfs/dbraw/zinc/94/76/78/398947678.db2.gz NENZCVUADJCMHW-CHWSQXEVSA-N 1 0 309.366 2.719 20 5 DFBDRO C[C@H]1CN(Cc2ccc(F)cc2[N+](=O)[O-])CC[N@@H+](C2CC2)C1 ZINC000595506698 398953338 /nfs/dbraw/zinc/95/33/38/398953338.db2.gz GJOHCAJGWJOQDZ-LBPRGKRZSA-N 1 0 307.369 2.650 20 5 DFBDRO C[C@H]1CN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000595511221 398953991 /nfs/dbraw/zinc/95/39/91/398953991.db2.gz POCRUSXJMDCWOP-KBPBESRZSA-N 1 0 321.421 2.529 20 5 DFBDRO CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196143 398957291 /nfs/dbraw/zinc/95/72/91/398957291.db2.gz RBJDKQSWRYOEGB-NEPJUHHUSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@H]1C[NH+](CCCNc2ccc(F)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000078504978 398961861 /nfs/dbraw/zinc/96/18/61/398961861.db2.gz ZGONFIUBMJRJAR-RYUDHWBXSA-N 1 0 311.357 2.645 20 5 DFBDRO CCO[C@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613380316 398966584 /nfs/dbraw/zinc/96/65/84/398966584.db2.gz DMRPWCLOLJWYBV-LBPRGKRZSA-N 1 0 312.341 2.743 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000613389196 398968632 /nfs/dbraw/zinc/96/86/32/398968632.db2.gz KQBSZLPBMGCVHW-XJKSGUPXSA-N 1 0 300.358 2.849 20 5 DFBDRO Cn1cc(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192806059 200944766 /nfs/dbraw/zinc/94/47/66/200944766.db2.gz MWQPEQDVWYRPQX-KRWDZBQOSA-N 1 0 314.389 2.928 20 5 DFBDRO Cc1noc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1[N+](=O)[O-] ZINC000595553116 398969340 /nfs/dbraw/zinc/96/93/40/398969340.db2.gz CTQBDLMQRQHPAQ-HNNXBMFYSA-N 1 0 321.377 2.672 20 5 DFBDRO C[N@H+](CCNc1cc(N)ccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000193464807 201057750 /nfs/dbraw/zinc/05/77/50/201057750.db2.gz ZBJBUHXFQKEBRK-UHFFFAOYSA-N 1 0 318.352 2.860 20 5 DFBDRO Cc1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078625764 398974395 /nfs/dbraw/zinc/97/43/95/398974395.db2.gz MGRCKQZDOVQAHL-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1cnc(NC[C@@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078625593 398974556 /nfs/dbraw/zinc/97/45/56/398974556.db2.gz QHBYLESZAIXGIR-OAHLLOKOSA-N 1 0 314.389 2.883 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)c([N+](=O)[O-])c1 ZINC000281513127 216352292 /nfs/dbraw/zinc/35/22/92/216352292.db2.gz PSKUEKRQAUEZSJ-WBMJQRKESA-N 1 0 317.389 2.718 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000194499945 201239476 /nfs/dbraw/zinc/23/94/76/201239476.db2.gz FLTFCPRTJIYDRO-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000194588698 201257910 /nfs/dbraw/zinc/25/79/10/201257910.db2.gz QHAWBHBUSLEKCY-GFCCVEGCSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1c(C[N@@H+](C)[C@@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000595595208 398989316 /nfs/dbraw/zinc/98/93/16/398989316.db2.gz IBJSCRVKNPUHOZ-QGZVFWFLSA-N 1 0 314.385 2.939 20 5 DFBDRO Cc1c(C[N@@H+](C)[C@H](CO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000595595207 398989735 /nfs/dbraw/zinc/98/97/35/398989735.db2.gz IBJSCRVKNPUHOZ-KRWDZBQOSA-N 1 0 314.385 2.939 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000595595211 398991184 /nfs/dbraw/zinc/99/11/84/398991184.db2.gz IGXHLGYQTFWIKW-GOSISDBHSA-N 1 0 314.385 2.673 20 5 DFBDRO Cc1c(OC(=O)C2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000195366240 201384693 /nfs/dbraw/zinc/38/46/93/201384693.db2.gz VPZCVTPHPMYBJV-UHFFFAOYSA-N 1 0 304.346 2.683 20 5 DFBDRO C[NH+](C)CCOc1ccccc1CNc1ncc([N+](=O)[O-])s1 ZINC000195511714 201397543 /nfs/dbraw/zinc/39/75/43/201397543.db2.gz FJRQKLAVQPWBFJ-UHFFFAOYSA-N 1 0 322.390 2.604 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417819158 296054639 /nfs/dbraw/zinc/05/46/39/296054639.db2.gz BJVHSARVWMJNJK-YUTCNCBUSA-N 1 0 320.393 2.533 20 5 DFBDRO CC[C@@H](NC(=O)NCC([NH3+])(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000417851660 296057935 /nfs/dbraw/zinc/05/79/35/296057935.db2.gz NJEZUVWEEJWSEN-CQSZACIVSA-N 1 0 322.409 2.863 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595631425 399010662 /nfs/dbraw/zinc/01/06/62/399010662.db2.gz ICCIOGMZQCMUAG-IMJJTQAJSA-N 1 0 322.405 2.559 20 5 DFBDRO Cc1nccnc1CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292964280 223329215 /nfs/dbraw/zinc/32/92/15/223329215.db2.gz JUMKYJNIGDVGGJ-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000057156373 399019794 /nfs/dbraw/zinc/01/97/94/399019794.db2.gz RQYJCJVUCZMEGI-ZDUSSCGKSA-N 1 0 307.394 2.835 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599606919 399028069 /nfs/dbraw/zinc/02/80/69/399028069.db2.gz QUHZFZCCWHXNOK-HNNXBMFYSA-N 1 0 320.393 2.673 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599604403 399028447 /nfs/dbraw/zinc/02/84/47/399028447.db2.gz NSRBXPCJKYXMRT-GXFFZTMASA-N 1 0 320.393 2.764 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2CCc3nc(C4CC4)ncc3C2)c1 ZINC000599617622 399030782 /nfs/dbraw/zinc/03/07/82/399030782.db2.gz IWDJFSPBLAICDI-UHFFFAOYSA-N 1 0 310.357 2.821 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1F ZINC000595686254 399034112 /nfs/dbraw/zinc/03/41/12/399034112.db2.gz USJNSZRELGGRAS-OAHLLOKOSA-N 1 0 306.341 2.917 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000595697608 399041023 /nfs/dbraw/zinc/04/10/23/399041023.db2.gz LYTSINIQWXPUQT-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673697 399054883 /nfs/dbraw/zinc/05/48/83/399054883.db2.gz WFBWYLKYDFJNKA-AWEZNQCLSA-N 1 0 320.389 2.601 20 5 DFBDRO COC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271797010 209223962 /nfs/dbraw/zinc/22/39/62/209223962.db2.gz LMHQEHNSGKFPAD-IAGOWNOFSA-N 1 0 316.357 2.606 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418451371 296097241 /nfs/dbraw/zinc/09/72/41/296097241.db2.gz WAGZODIDJKVLNL-GFCCVEGCSA-N 1 0 322.409 2.647 20 5 DFBDRO CC1(C)CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000595748850 399069011 /nfs/dbraw/zinc/06/90/11/399069011.db2.gz IOPYCFGORIHDGL-UHFFFAOYSA-N 1 0 321.421 2.905 20 5 DFBDRO COC(=O)C1C[C@H](C)[NH+](Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599705072 399071563 /nfs/dbraw/zinc/07/15/63/399071563.db2.gz GVRYHCACOJRDNS-RYUDHWBXSA-N 1 0 306.362 2.757 20 5 DFBDRO CCOc1ccccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000271751525 209182194 /nfs/dbraw/zinc/18/21/94/209182194.db2.gz KTOAEKMTNJJELL-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO CC[C@H]1CC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000292827721 284010085 /nfs/dbraw/zinc/01/00/85/284010085.db2.gz QUDREQXIXLFRFT-AWEZNQCLSA-N 1 0 300.362 2.980 20 5 DFBDRO COC(=O)c1cccc(OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000419108881 296126166 /nfs/dbraw/zinc/12/61/66/296126166.db2.gz GUCAQCBMLMOBEA-UHFFFAOYSA-N 1 0 322.361 2.636 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826972 399100714 /nfs/dbraw/zinc/10/07/14/399100714.db2.gz BNPRAPDDWDWBJC-ZFWWWQNUSA-N 1 0 320.389 2.850 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000419325162 296134564 /nfs/dbraw/zinc/13/45/64/296134564.db2.gz WRGIRCAIKUDQPK-BPUTZDHNSA-N 1 0 322.405 2.749 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000419325161 296134729 /nfs/dbraw/zinc/13/47/29/296134729.db2.gz WRGIRCAIKUDQPK-BMFZPTHFSA-N 1 0 322.405 2.749 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000059394379 399110674 /nfs/dbraw/zinc/11/06/74/399110674.db2.gz NIKHGVIYXVBFKP-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419382968 296138468 /nfs/dbraw/zinc/13/84/68/296138468.db2.gz ZOQBWBIHBVVWPT-SDDRHHMPSA-N 1 0 321.377 2.518 20 5 DFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000059890483 399113865 /nfs/dbraw/zinc/11/38/65/399113865.db2.gz SFECDMOWCJMKGI-CXAGYDPISA-N 1 0 319.405 2.835 20 5 DFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000059949819 399114997 /nfs/dbraw/zinc/11/49/97/399114997.db2.gz AYDXAHUHVUTDBI-UHFFFAOYSA-N 1 0 303.284 2.756 20 5 DFBDRO CCCN(C)CC(C)(C)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000595872135 399118678 /nfs/dbraw/zinc/11/86/78/399118678.db2.gz CPEJWDRXEVWKKA-UHFFFAOYSA-N 1 0 309.410 2.684 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712776 399120572 /nfs/dbraw/zinc/12/05/72/399120572.db2.gz YPQCHKKIJYEFAP-NVXWUHKLSA-N 1 0 315.417 2.790 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000275021283 212077716 /nfs/dbraw/zinc/07/77/16/212077716.db2.gz DIZRFWDCYJUBFD-HNNXBMFYSA-N 1 0 300.362 2.612 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CC1=CCSC1 ZINC000595889242 399124181 /nfs/dbraw/zinc/12/41/81/399124181.db2.gz SOHBOLIEDWBLTA-NSHDSACASA-N 1 0 321.402 2.527 20 5 DFBDRO COc1cc(CN(C)CC2=CCSC2)c([N+](=O)[O-])cc1F ZINC000595889268 399124203 /nfs/dbraw/zinc/12/42/03/399124203.db2.gz SZCQUTWYTFTOMO-UHFFFAOYSA-N 1 0 312.366 2.848 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1CC[NH+](C)CC1 ZINC000094083876 193344124 /nfs/dbraw/zinc/34/41/24/193344124.db2.gz VNIIOIIBZFAIRW-UHFFFAOYSA-N 1 0 319.405 2.592 20 5 DFBDRO COC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000080249870 399131288 /nfs/dbraw/zinc/13/12/88/399131288.db2.gz CULKJZBXVRAHNC-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C[C@H]1CC1(C)C ZINC000595910881 399132253 /nfs/dbraw/zinc/13/22/53/399132253.db2.gz CVBYFDLSDBTCHE-CYBMUJFWSA-N 1 0 306.362 2.939 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000420117767 296158818 /nfs/dbraw/zinc/15/88/18/296158818.db2.gz HOFQFQMEZDEEFM-ZDUSSCGKSA-N 1 0 314.389 2.887 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H]1CC=CCC1 ZINC000600754833 399135861 /nfs/dbraw/zinc/13/58/61/399135861.db2.gz CMFQGTZURQURSH-GJZGRUSLSA-N 1 0 320.389 2.671 20 5 DFBDRO C[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420179867 296160586 /nfs/dbraw/zinc/16/05/86/296160586.db2.gz CKOSUNUOGBHQSU-IAQYHMDHSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH2+]Cc2cccnc2)n1 ZINC000420176809 296160621 /nfs/dbraw/zinc/16/06/21/296160621.db2.gz ATJLAPUMXJROMV-UHFFFAOYSA-N 1 0 315.377 2.593 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC[C@H]1CC=CCC1 ZINC000600754835 399136495 /nfs/dbraw/zinc/13/64/95/399136495.db2.gz CMFQGTZURQURSH-LSDHHAIUSA-N 1 0 320.389 2.671 20 5 DFBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000420165448 296160037 /nfs/dbraw/zinc/16/00/37/296160037.db2.gz NCYKGXUYZHAMFQ-NEPJUHHUSA-N 1 0 300.362 2.943 20 5 DFBDRO Cc1cc(N2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420212927 296162625 /nfs/dbraw/zinc/16/26/25/296162625.db2.gz ULZORUFXMHRRNZ-VIFPVBQESA-N 1 0 303.284 2.720 20 5 DFBDRO Cc1cc(NC[C@@H](C)C[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000420211292 296162775 /nfs/dbraw/zinc/16/27/75/296162775.db2.gz FJLLFZDGRRFZNL-ZETCQYMHSA-N 1 0 302.172 2.672 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420217178 296162856 /nfs/dbraw/zinc/16/28/56/296162856.db2.gz NJVFGLORPVFABZ-MNOVXSKESA-N 1 0 318.402 2.892 20 5 DFBDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595962401 399141951 /nfs/dbraw/zinc/14/19/51/399141951.db2.gz QVXDOCZPMUVOQK-UHFFFAOYSA-N 1 0 307.394 2.702 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000420226306 296163588 /nfs/dbraw/zinc/16/35/88/296163588.db2.gz ZSDGSIKODNEQOU-SECBINFHSA-N 1 0 301.293 2.608 20 5 DFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420242822 296165195 /nfs/dbraw/zinc/16/51/95/296165195.db2.gz NFNHMFAXYLILMQ-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO [NH3+]CCN(CCc1ccccc1)c1ncc([N+](=O)[O-])cc1Cl ZINC000420243091 296165216 /nfs/dbraw/zinc/16/52/16/296165216.db2.gz ONQWWRHAWVWURG-UHFFFAOYSA-N 1 0 320.780 2.651 20 5 DFBDRO Cc1ccc(-c2ccc(C[C@@H](C[NH3+])CO)cc2)cc1[N+](=O)[O-] ZINC000600790462 399147829 /nfs/dbraw/zinc/14/78/29/399147829.db2.gz KVKTULMIBQFJIG-AWEZNQCLSA-N 1 0 300.358 2.680 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000596015180 399148288 /nfs/dbraw/zinc/14/82/88/399148288.db2.gz ZPDRBVGLZSQMFF-VXGBXAGGSA-N 1 0 324.812 2.859 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH3+])CCc2ccccc2)n1 ZINC000420248501 296165650 /nfs/dbraw/zinc/16/56/50/296165650.db2.gz WJCSENBSECNUJH-UHFFFAOYSA-N 1 0 314.389 2.614 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000420263513 296166950 /nfs/dbraw/zinc/16/69/50/296166950.db2.gz TVBNCPWJIISIGY-NSHDSACASA-N 1 0 309.366 2.701 20 5 DFBDRO Cc1cc(N[C@H]2CC[C@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420265653 296167157 /nfs/dbraw/zinc/16/71/57/296167157.db2.gz FBGBKYJJSBFDBG-RYUDHWBXSA-N 1 0 300.362 2.991 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420268937 296167756 /nfs/dbraw/zinc/16/77/56/296167756.db2.gz AVIQLXSAXUEWJM-VXGBXAGGSA-N 1 0 321.377 2.701 20 5 DFBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC([NH3+])C1 ZINC000420270576 296167921 /nfs/dbraw/zinc/16/79/21/296167921.db2.gz CBDIZXYJOQCHNP-UHFFFAOYSA-N 1 0 304.375 2.644 20 5 DFBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000420278375 296168729 /nfs/dbraw/zinc/16/87/29/296168729.db2.gz JEKVFGABBCCHGM-AYBYRNOTSA-N 1 0 319.390 2.527 20 5 DFBDRO COC(=O)c1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)cc(C)c1[N+](=O)[O-] ZINC000420277097 296168349 /nfs/dbraw/zinc/16/83/49/296168349.db2.gz IEBGWLMMUMVTKD-NWDGAFQWSA-N 1 0 321.377 2.619 20 5 DFBDRO COC(=O)c1cc(N[C@@H](C[NH3+])C2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000420275499 296168372 /nfs/dbraw/zinc/16/83/72/296168372.db2.gz KZWHZJIDPOOHQY-AWEZNQCLSA-N 1 0 321.377 2.619 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420286194 296169449 /nfs/dbraw/zinc/16/94/49/296169449.db2.gz WEWRWZPXVDRCEE-WCBMZHEXSA-N 1 0 303.284 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596058121 399157491 /nfs/dbraw/zinc/15/74/91/399157491.db2.gz DCONFUWVELNKSN-CQSZACIVSA-N 1 0 321.396 2.946 20 5 DFBDRO COC(=O)c1cc(-c2cccc3c2C[C@@H]2[C@H]([NH3+])[C@H]32)cc([N+](=O)[O-])c1 ZINC000600844948 399158944 /nfs/dbraw/zinc/15/89/44/399158944.db2.gz BZAWDGZGUQMLHN-BBWFWOEESA-N 1 0 324.336 2.645 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265009325 204339454 /nfs/dbraw/zinc/33/94/54/204339454.db2.gz UODMTDSARPSWMS-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc(NC[C@@H](Cc2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080585156 399160289 /nfs/dbraw/zinc/16/02/89/399160289.db2.gz NOQZVXXIPXZQDD-OAHLLOKOSA-N 1 0 314.389 2.883 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265086558 204387342 /nfs/dbraw/zinc/38/73/42/204387342.db2.gz SQYMWYWVYIJZGT-SWLSCSKDSA-N 1 0 318.373 2.931 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000282466824 217016474 /nfs/dbraw/zinc/01/64/74/217016474.db2.gz KLELXWGRFCIKDS-ZDUSSCGKSA-N 1 0 321.421 2.762 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596077359 399164509 /nfs/dbraw/zinc/16/45/09/399164509.db2.gz UVYAMIAEKAGGGN-LBPRGKRZSA-N 1 0 308.382 2.762 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420337888 296177156 /nfs/dbraw/zinc/17/71/56/296177156.db2.gz KFTSSHMKBFBETJ-OAHLLOKOSA-N 1 0 307.369 2.698 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000265477419 204642843 /nfs/dbraw/zinc/64/28/43/204642843.db2.gz FTTJLNOEZFFZAH-LBPRGKRZSA-N 1 0 323.368 2.647 20 5 DFBDRO Cc1cc(C)n(CC[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282566056 217092829 /nfs/dbraw/zinc/09/28/29/217092829.db2.gz ZACDWTCOLZTMTO-UHFFFAOYSA-N 1 0 302.378 2.583 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000614205870 399174703 /nfs/dbraw/zinc/17/47/03/399174703.db2.gz DASVXSSRDWLGIL-GDBMZVCRSA-N 1 0 319.405 2.640 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265707048 204814391 /nfs/dbraw/zinc/81/43/91/204814391.db2.gz HDWREVULUUCIMV-UHFFFAOYSA-N 1 0 321.421 2.721 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282650403 217152385 /nfs/dbraw/zinc/15/23/85/217152385.db2.gz CIFNWUVZOXBEDR-IUODEOHRSA-N 1 0 310.369 2.963 20 5 DFBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000080788863 399180932 /nfs/dbraw/zinc/18/09/32/399180932.db2.gz RLZQJUCOVYJTKG-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC000600956504 399186416 /nfs/dbraw/zinc/18/64/16/399186416.db2.gz SOYPPIUTLPQVJI-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc3cc([N+](=O)[O-])ccc3n1)C2 ZINC000600955598 399186500 /nfs/dbraw/zinc/18/65/00/399186500.db2.gz DJTALCRKIRBLFY-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO [NH3+]C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600952025 399185352 /nfs/dbraw/zinc/18/53/52/399185352.db2.gz QJJDTCQVLHAYRG-VHSXEESVSA-N 1 0 303.284 2.558 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600951351 399185538 /nfs/dbraw/zinc/18/55/38/399185538.db2.gz DVHQHILCKVQPSH-WDEREUQCSA-N 1 0 317.311 2.867 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000266131597 205124870 /nfs/dbraw/zinc/12/48/70/205124870.db2.gz KLCJIJSWVFNGKE-NSHDSACASA-N 1 0 311.407 2.603 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000600959187 399187458 /nfs/dbraw/zinc/18/74/58/399187458.db2.gz SLAUPMMOYAHEMJ-CYBMUJFWSA-N 1 0 300.362 2.851 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000600959432 399187489 /nfs/dbraw/zinc/18/74/89/399187489.db2.gz WLZSYZOESRYYID-GFCCVEGCSA-N 1 0 300.362 2.851 20 5 DFBDRO COCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000282817529 217271496 /nfs/dbraw/zinc/27/14/96/217271496.db2.gz RPVNAZHDVBQWKC-CYBMUJFWSA-N 1 0 318.377 2.597 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000342523678 284357327 /nfs/dbraw/zinc/35/73/27/284357327.db2.gz KQVNDDYKRIQBOB-GFCCVEGCSA-N 1 0 308.382 2.837 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000266302928 205249844 /nfs/dbraw/zinc/24/98/44/205249844.db2.gz KRSSELIFWWHPTQ-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000420628429 296193735 /nfs/dbraw/zinc/19/37/35/296193735.db2.gz ATFSDYCUVKPPFB-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CS[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000342595243 284374661 /nfs/dbraw/zinc/37/46/61/284374661.db2.gz ZENRLVSMYMPEFD-NILFDRSVSA-N 1 0 309.435 2.633 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288488387 220175262 /nfs/dbraw/zinc/17/52/62/220175262.db2.gz VVKYKXFXKMWHDR-ZDUSSCGKSA-N 1 0 321.421 2.762 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2=CCCOC2)c1 ZINC000288545865 220223055 /nfs/dbraw/zinc/22/30/55/220223055.db2.gz XDNJRTLTHFLVIS-UHFFFAOYSA-N 1 0 314.288 2.633 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC000601105203 399227716 /nfs/dbraw/zinc/22/77/16/399227716.db2.gz DELMNIILNSNURA-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000601129663 399235756 /nfs/dbraw/zinc/23/57/56/399235756.db2.gz WEOIOEHGZZUKGW-BZNIZROVSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1cnc(CN(C)[C@H]2CCN(c3ccsc3[N+](=O)[O-])C2)o1 ZINC000601131391 399236605 /nfs/dbraw/zinc/23/66/05/399236605.db2.gz JNYIYBNVBNBPSN-NSHDSACASA-N 1 0 322.390 2.663 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000267431679 206060901 /nfs/dbraw/zinc/06/09/01/206060901.db2.gz MRNPAZSUBUCDQE-ZDUSSCGKSA-N 1 0 316.361 2.706 20 5 DFBDRO CN(C[C@H]1CCC[C@@H]1O)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134836 399237443 /nfs/dbraw/zinc/23/74/43/399237443.db2.gz IMUJXELWACQXBN-BZNIZROVSA-N 1 0 301.346 2.740 20 5 DFBDRO C[C@H](O)C[C@H]1CCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134698 399237126 /nfs/dbraw/zinc/23/71/26/399237126.db2.gz KCJQVWJHRIOLRP-NWDGAFQWSA-N 1 0 301.346 2.883 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000420945309 296216033 /nfs/dbraw/zinc/21/60/33/296216033.db2.gz RNEGYJIHMBJLDC-UONOGXRCSA-N 1 0 322.405 2.832 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000022806664 182335735 /nfs/dbraw/zinc/33/57/35/182335735.db2.gz ULSUHILWQDLTAG-OAHLLOKOSA-N 1 0 300.362 2.575 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC[C@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601147541 399241088 /nfs/dbraw/zinc/24/10/88/399241088.db2.gz QXODMPMARDUXCY-ZDUSSCGKSA-N 1 0 302.321 2.824 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000601229722 399259631 /nfs/dbraw/zinc/25/96/31/399259631.db2.gz YWNDUGHTXIGZLX-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601258453 399264871 /nfs/dbraw/zinc/26/48/71/399264871.db2.gz HFWDUFSHNILZOY-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601258452 399265138 /nfs/dbraw/zinc/26/51/38/399265138.db2.gz HFWDUFSHNILZOY-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601259641 399265571 /nfs/dbraw/zinc/26/55/71/399265571.db2.gz YTXAIECNTAPSHN-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000421197379 296240733 /nfs/dbraw/zinc/24/07/33/296240733.db2.gz HFQBEDJORDHJQQ-QWHCGFSZSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H](O)C(F)(F)F ZINC000601301360 399273465 /nfs/dbraw/zinc/27/34/65/399273465.db2.gz YWXLRAKHIKNEJQ-BREBYQMCSA-N 1 0 320.311 2.817 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H](O)C(F)(F)F ZINC000601301361 399273471 /nfs/dbraw/zinc/27/34/71/399273471.db2.gz YWXLRAKHIKNEJQ-GBIKHYSHSA-N 1 0 320.311 2.817 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000601306689 399274443 /nfs/dbraw/zinc/27/44/43/399274443.db2.gz OLXLFUYDFAOCQE-GWOFURMSSA-N 1 0 318.299 2.815 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)N(Cc1ccc([N+](=O)[O-])cc1F)CCO2 ZINC000601323627 399277926 /nfs/dbraw/zinc/27/79/26/399277926.db2.gz CVAAWHZEUWICLC-UHFFFAOYSA-N 1 0 317.320 2.592 20 5 DFBDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000421374384 296249952 /nfs/dbraw/zinc/24/99/52/296249952.db2.gz FRGAVFPRHKHQQQ-OLZOCXBDSA-N 1 0 324.377 2.659 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1[N+](=O)[O-] ZINC000344444675 284606177 /nfs/dbraw/zinc/60/61/77/284606177.db2.gz VXGFXHSMCMNMPS-HNNXBMFYSA-N 1 0 316.357 2.817 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000421435854 296255131 /nfs/dbraw/zinc/25/51/31/296255131.db2.gz QCQVENXREBENGU-GJZGRUSLSA-N 1 0 317.389 2.568 20 5 DFBDRO C[C@H](O)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000609194170 399308969 /nfs/dbraw/zinc/30/89/69/399308969.db2.gz AMDDNTBYPXJSIH-AWEZNQCLSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000609259665 399310664 /nfs/dbraw/zinc/31/06/64/399310664.db2.gz DQTIMOMVIFLQHZ-OAHLLOKOSA-N 1 0 300.362 2.764 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000609541009 399322113 /nfs/dbraw/zinc/32/21/13/399322113.db2.gz SXCWVQWFCWBMJD-CZUORRHYSA-N 1 0 317.389 2.743 20 5 DFBDRO C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C(C)(C)O ZINC000609707884 399330144 /nfs/dbraw/zinc/33/01/44/399330144.db2.gz KKKYEYFLRACOPT-SNVBAGLBSA-N 1 0 321.402 2.967 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCNC(=O)C(C)C ZINC000344843066 284693093 /nfs/dbraw/zinc/69/30/93/284693093.db2.gz AKRCFZPFLZMBGI-UVTDQMKNSA-N 1 0 319.405 2.750 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609833529 399333009 /nfs/dbraw/zinc/33/30/09/399333009.db2.gz MMWDXPAGSTUULM-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274131194 211383484 /nfs/dbraw/zinc/38/34/84/211383484.db2.gz BXEBFCYVCKLPCC-SJWGOKEGSA-N 1 0 320.389 2.972 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000609833649 399333237 /nfs/dbraw/zinc/33/32/37/399333237.db2.gz RCUJAFPEVXSBQO-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO NC(=O)CC1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421878300 296278398 /nfs/dbraw/zinc/27/83/98/296278398.db2.gz LXQAIMURCOXLST-OAHLLOKOSA-N 1 0 317.389 2.608 20 5 DFBDRO CON1CCC([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421879903 296278467 /nfs/dbraw/zinc/27/84/67/296278467.db2.gz PLPFTUFNXNAAAD-KRWDZBQOSA-N 1 0 319.405 2.978 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284410945 218017427 /nfs/dbraw/zinc/01/74/27/218017427.db2.gz QNIUNPZVDMZTAL-JGGQBBKZSA-N 1 0 324.421 2.712 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CCO)C(C)C ZINC000273957485 211210939 /nfs/dbraw/zinc/21/09/39/211210939.db2.gz GATHHBMTDKUKTG-HNNXBMFYSA-N 1 0 310.394 2.879 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728916 194030762 /nfs/dbraw/zinc/03/07/62/194030762.db2.gz YJSLCKIJJUBBST-CYBMUJFWSA-N 1 0 317.389 2.743 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000104970180 194059691 /nfs/dbraw/zinc/05/96/91/194059691.db2.gz JUEVZDPJPLDSFL-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000619480735 399352346 /nfs/dbraw/zinc/35/23/46/399352346.db2.gz QPGRDYYSXISPSG-GFCCVEGCSA-N 1 0 307.398 2.548 20 5 DFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000284842748 218203219 /nfs/dbraw/zinc/20/32/19/218203219.db2.gz RBICNQQXZHQGGZ-ZDUSSCGKSA-N 1 0 323.368 2.615 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2C3CCCC2CCC3)c1 ZINC000610370130 399362333 /nfs/dbraw/zinc/36/23/33/399362333.db2.gz WFPURGSEMGTVTG-ZBCRRDGASA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1c(CN2CCO[C@H](C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000601973550 399371957 /nfs/dbraw/zinc/37/19/57/399371957.db2.gz PWJIKMFZTWQDBZ-ZDUSSCGKSA-N 1 0 300.305 2.759 20 5 DFBDRO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000105899940 194164451 /nfs/dbraw/zinc/16/44/51/194164451.db2.gz HJMWTFROXFYPGG-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4COC[C@@H]4C3)o2)cc1 ZINC000601974005 399372138 /nfs/dbraw/zinc/37/21/38/399372138.db2.gz GOADCKZIALFYMI-OKILXGFUSA-N 1 0 314.341 2.933 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026886 218262149 /nfs/dbraw/zinc/26/21/49/218262149.db2.gz HQAJMSNPIHQSFR-ZANVPECISA-N 1 0 301.350 2.628 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610539317 399378260 /nfs/dbraw/zinc/37/82/60/399378260.db2.gz JDBJQHQOMCUEOG-DXCKQFNASA-N 1 0 319.405 2.892 20 5 DFBDRO CCOCC[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1CC ZINC000106117001 194187069 /nfs/dbraw/zinc/18/70/69/194187069.db2.gz ZKEBCWPOMHYTTO-INIZCTEOSA-N 1 0 321.421 2.528 20 5 DFBDRO CC[C@H](NC(=O)CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000610527676 399377713 /nfs/dbraw/zinc/37/77/13/399377713.db2.gz QICFMYLORVCZCE-HNNXBMFYSA-N 1 0 307.394 2.894 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000106465771 194219543 /nfs/dbraw/zinc/21/95/43/194219543.db2.gz SQMQNLVQWQAYDI-CQSZACIVSA-N 1 0 319.361 2.589 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394150 218413236 /nfs/dbraw/zinc/41/32/36/218413236.db2.gz WWMKHZZDZFBICN-DGCLKSJQSA-N 1 0 305.378 2.929 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610668442 399390418 /nfs/dbraw/zinc/39/04/18/399390418.db2.gz IPFFBUJENXXDCI-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756268 194283582 /nfs/dbraw/zinc/28/35/82/194283582.db2.gz BCOGCQZREQQYCE-OLZOCXBDSA-N 1 0 318.295 2.525 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]3)CC2)cc1C(F)(F)F ZINC000422535210 296311468 /nfs/dbraw/zinc/31/14/68/296311468.db2.gz CDSWJMCUXXQYLU-UHFFFAOYSA-N 1 0 315.295 2.946 20 5 DFBDRO CC(C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccnn1C ZINC000615943477 399402681 /nfs/dbraw/zinc/40/26/81/399402681.db2.gz NGRWVHDXMOWQIN-AWEZNQCLSA-N 1 0 320.368 2.997 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2cc[nH+]cc2)CC1 ZINC000610762495 399403288 /nfs/dbraw/zinc/40/32/88/399403288.db2.gz PKYFNVQIKUKKRH-CQSZACIVSA-N 1 0 312.373 2.873 20 5 DFBDRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000610807146 399407902 /nfs/dbraw/zinc/40/79/02/399407902.db2.gz FEFGUYGQTATCET-LLVKDONJSA-N 1 0 313.348 2.975 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[C@H](C)C1 ZINC000610828067 399410679 /nfs/dbraw/zinc/41/06/79/399410679.db2.gz JGMUOGXZNAYFIT-FFSVYQOJSA-N 1 0 319.405 2.811 20 5 DFBDRO CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815075 399409180 /nfs/dbraw/zinc/40/91/80/399409180.db2.gz KYALUXYFBKBYBO-XJKSGUPXSA-N 1 0 308.378 2.689 20 5 DFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000058115555 184076411 /nfs/dbraw/zinc/07/64/11/184076411.db2.gz GFPONUTWTVKITB-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000060404853 184148739 /nfs/dbraw/zinc/14/87/39/184148739.db2.gz YWYVJPUFAOJFBL-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602438081 399444064 /nfs/dbraw/zinc/44/40/64/399444064.db2.gz BMWZGMQYUGGPAA-HNNXBMFYSA-N 1 0 300.362 2.974 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CCSCC3)CC2)c1 ZINC000602451400 399447693 /nfs/dbraw/zinc/44/76/93/399447693.db2.gz GNFSTONOANTRIJ-UHFFFAOYSA-N 1 0 321.446 2.860 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602453248 399448458 /nfs/dbraw/zinc/44/84/58/399448458.db2.gz JTUOBIYSPYOUOF-OAHLLOKOSA-N 1 0 318.352 2.675 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000611248136 399451186 /nfs/dbraw/zinc/45/11/86/399451186.db2.gz BZNPBWKUOJFSAU-TZMCWYRMSA-N 1 0 307.394 2.738 20 5 DFBDRO CN(Cc1ccco1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611252486 399451683 /nfs/dbraw/zinc/45/16/83/399451683.db2.gz RYIZAENNYJVVFD-UHFFFAOYSA-N 1 0 304.302 2.591 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2Cn2cccn2)cc1[N+](=O)[O-] ZINC000611270125 399454897 /nfs/dbraw/zinc/45/48/97/399454897.db2.gz SNKGRXHRFRVKKY-HNNXBMFYSA-N 1 0 300.362 2.764 20 5 DFBDRO CC1(C)CN(Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000611272294 399455665 /nfs/dbraw/zinc/45/56/65/399455665.db2.gz HDYOYULBGOGCDU-UHFFFAOYSA-N 1 0 324.402 2.693 20 5 DFBDRO Cc1cc(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611296523 399459935 /nfs/dbraw/zinc/45/99/35/399459935.db2.gz NCWGJZYFYNLHLH-INIZCTEOSA-N 1 0 319.405 2.594 20 5 DFBDRO O=[N+]([O-])c1ncccc1NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000611306991 399460924 /nfs/dbraw/zinc/46/09/24/399460924.db2.gz JCAJWCFKUZTRAG-UHFFFAOYSA-N 1 0 313.361 2.713 20 5 DFBDRO CC(C)(C(=O)NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000269119203 207254522 /nfs/dbraw/zinc/25/45/22/207254522.db2.gz XHRDCHSYLQGHGN-UHFFFAOYSA-N 1 0 319.405 2.650 20 5 DFBDRO COC[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602505744 399462958 /nfs/dbraw/zinc/46/29/58/399462958.db2.gz YIIBIWGCRPEODR-LURJTMIESA-N 1 0 309.185 2.543 20 5 DFBDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602513378 399465066 /nfs/dbraw/zinc/46/50/66/399465066.db2.gz WTUBWOMSCQYPRM-GFCCVEGCSA-N 1 0 306.284 2.864 20 5 DFBDRO CC(C)CC[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602516418 399466502 /nfs/dbraw/zinc/46/65/02/399466502.db2.gz LCGYOQQPASWNEG-INIZCTEOSA-N 1 0 319.405 2.849 20 5 DFBDRO C[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)(C)O ZINC000602529020 399468377 /nfs/dbraw/zinc/46/83/77/399468377.db2.gz SDASYQNBDHHUKH-LURJTMIESA-N 1 0 323.212 2.668 20 5 DFBDRO COC[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602531206 399469415 /nfs/dbraw/zinc/46/94/15/399469415.db2.gz REBVBIJSVOQWMR-VIFPVBQESA-N 1 0 306.284 2.986 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269197613 207317817 /nfs/dbraw/zinc/31/78/17/207317817.db2.gz RXAHGFNHLANZBN-ZDUSSCGKSA-N 1 0 307.394 2.506 20 5 DFBDRO CC(C)(CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602553773 399474082 /nfs/dbraw/zinc/47/40/82/399474082.db2.gz BMZYNOXITOUSEH-UHFFFAOYSA-N 1 0 323.212 2.669 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000602560645 399475697 /nfs/dbraw/zinc/47/56/97/399475697.db2.gz OEYYSJMWNATDOX-MFKMUULPSA-N 1 0 318.295 2.864 20 5 DFBDRO CO[C@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000602561040 399475904 /nfs/dbraw/zinc/47/59/04/399475904.db2.gz PWKIRYNAMHCBOU-DOTOQJQBSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294431503 224025540 /nfs/dbraw/zinc/02/55/40/224025540.db2.gz UUDUDNYKAHMHMT-OWRWGESLSA-N 1 0 305.378 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(CO)CCCCC3)nc2c1 ZINC000611463085 399478992 /nfs/dbraw/zinc/47/89/92/399478992.db2.gz UFPBSEVJYNJWFG-UHFFFAOYSA-N 1 0 305.334 2.521 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422762132 296328752 /nfs/dbraw/zinc/32/87/52/296328752.db2.gz RSPQPUHDQYMLKZ-ZDUSSCGKSA-N 1 0 305.378 2.672 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611475787 399479810 /nfs/dbraw/zinc/47/98/10/399479810.db2.gz HOHQFGWVCPEOKK-OFQRWUPVSA-N 1 0 305.422 2.846 20 5 DFBDRO CCN1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000611475786 399480096 /nfs/dbraw/zinc/48/00/96/399480096.db2.gz HOHQFGWVCPEOKK-LZWOXQAQSA-N 1 0 305.422 2.846 20 5 DFBDRO COC(=O)c1csc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000602579268 399481708 /nfs/dbraw/zinc/48/17/08/399481708.db2.gz DNKQHQRPKHLAFZ-UHFFFAOYSA-N 1 0 320.370 2.775 20 5 DFBDRO CC(C)(C(=O)N1CCCCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000602577304 399480906 /nfs/dbraw/zinc/48/09/06/399480906.db2.gz GTXDEYCJTNKCDV-CQSZACIVSA-N 1 0 319.405 2.602 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000602593767 399486329 /nfs/dbraw/zinc/48/63/29/399486329.db2.gz MYAUSPWBYUUURG-DGCLKSJQSA-N 1 0 319.405 2.559 20 5 DFBDRO C[C@@H](O)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602641201 399500017 /nfs/dbraw/zinc/50/00/17/399500017.db2.gz XUWLPRJRKNIURL-SECBINFHSA-N 1 0 306.284 2.864 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000611616074 399499030 /nfs/dbraw/zinc/49/90/30/399499030.db2.gz OCJPENBHWJEDIN-UHFFFAOYSA-N 1 0 310.317 2.931 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616768 399499169 /nfs/dbraw/zinc/49/91/69/399499169.db2.gz FFCFCDVHPCEOQO-CQSZACIVSA-N 1 0 306.410 2.775 20 5 DFBDRO Cn1ccnc1[C@H](C1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602659690 399506947 /nfs/dbraw/zinc/50/69/47/399506947.db2.gz VIKIWKVPYWOJIQ-INIZCTEOSA-N 1 0 314.389 2.954 20 5 DFBDRO Cn1ccnc1[C@@H](C1CC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000602659692 399507439 /nfs/dbraw/zinc/50/74/39/399507439.db2.gz VIKIWKVPYWOJIQ-MRXNPFEDSA-N 1 0 314.389 2.954 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CCCSC3)nc2c1 ZINC000602664226 399508765 /nfs/dbraw/zinc/50/87/65/399508765.db2.gz XJOABVNGKFVZRC-SNVBAGLBSA-N 1 0 307.375 2.969 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000422842592 296343062 /nfs/dbraw/zinc/34/30/62/296343062.db2.gz GBPMRWHRFKQYDH-KBPBESRZSA-N 1 0 319.405 2.719 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000347369819 285017455 /nfs/dbraw/zinc/01/74/55/285017455.db2.gz UKYMHLRCOBFJQU-IVOILVROSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347373168 285019678 /nfs/dbraw/zinc/01/96/78/285019678.db2.gz WRIXVLHCRLQPSE-LRFDDAOPSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869429 296347597 /nfs/dbraw/zinc/34/75/97/296347597.db2.gz WLXRQOPJYKQFQT-TZMCWYRMSA-N 1 0 305.378 2.575 20 5 DFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118980921 194949784 /nfs/dbraw/zinc/94/97/84/194949784.db2.gz QZIJCLGMDDFNMO-RISCZKNCSA-N 1 0 305.378 2.752 20 5 DFBDRO CC(C)c1nnc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000492287627 299555360 /nfs/dbraw/zinc/55/53/60/299555360.db2.gz AOSVXBGFZBXORN-UHFFFAOYSA-N 1 0 306.391 2.902 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@@H](C)C2CC[NH+](C)CC2)n1 ZINC000347410299 285039036 /nfs/dbraw/zinc/03/90/36/285039036.db2.gz FZWAONNZKKJOKT-ZDUSSCGKSA-N 1 0 306.410 2.773 20 5 DFBDRO COc1ccccc1[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269710535 207784034 /nfs/dbraw/zinc/78/40/34/207784034.db2.gz PSJWIDCZCBTNFL-LRDDRELGSA-N 1 0 316.357 2.988 20 5 DFBDRO Cc1ccoc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602671045 399513878 /nfs/dbraw/zinc/51/38/78/399513878.db2.gz IWJYMHJSAXLWPZ-UHFFFAOYSA-N 1 0 316.361 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@@H](O)C34CCCC4)nc2c1 ZINC000602672999 399514819 /nfs/dbraw/zinc/51/48/19/399514819.db2.gz ALFLONHASOPEJJ-CQSZACIVSA-N 1 0 317.345 2.615 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000269910248 207962069 /nfs/dbraw/zinc/96/20/69/207962069.db2.gz IDMBMUSCZMKDQY-UHFFFAOYSA-N 1 0 317.393 2.651 20 5 DFBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000120133403 195102841 /nfs/dbraw/zinc/10/28/41/195102841.db2.gz NCXNJBBUUSTEKU-YOEHRIQHSA-N 1 0 321.421 2.602 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602685336 399520997 /nfs/dbraw/zinc/52/09/97/399520997.db2.gz GGPRAESAFPVMNW-UHFFFAOYSA-N 1 0 318.377 2.700 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)O1 ZINC000602690820 399522144 /nfs/dbraw/zinc/52/21/44/399522144.db2.gz PJNSKQAETVCSFW-MXWKQRLJSA-N 1 0 305.334 2.639 20 5 DFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286126997 218805831 /nfs/dbraw/zinc/80/58/31/218805831.db2.gz MNGXOLOIUIVOPJ-SOUVJXGZSA-N 1 0 310.419 2.892 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]1C[NH+]1CCCC1 ZINC000189081386 285091897 /nfs/dbraw/zinc/09/18/97/285091897.db2.gz JHRUXLHJZFPNMG-LBPRGKRZSA-N 1 0 310.785 2.708 20 5 DFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231711 218863177 /nfs/dbraw/zinc/86/31/77/218863177.db2.gz ZFGMCXCJJLROCY-LXZKKBNFSA-N 1 0 322.405 2.644 20 5 DFBDRO Cc1cc(N[C@H]2CCC[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611919017 399543551 /nfs/dbraw/zinc/54/35/51/399543551.db2.gz NBMHDFNHMFPRDW-AAEUAGOBSA-N 1 0 301.346 2.589 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272971466 210353525 /nfs/dbraw/zinc/35/35/25/210353525.db2.gz OJSWTQOBNOTMDQ-LBPRGKRZSA-N 1 0 318.377 2.675 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(C)c1 ZINC000271123070 208635039 /nfs/dbraw/zinc/63/50/39/208635039.db2.gz JYUNMFQYLPAXBO-ZDUSSCGKSA-N 1 0 320.418 2.989 20 5 DFBDRO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000286520912 219033458 /nfs/dbraw/zinc/03/34/58/219033458.db2.gz XUVGGRHNEHSOHP-ONXXMXGDSA-N 1 0 305.378 2.665 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158569643 197284975 /nfs/dbraw/zinc/28/49/75/197284975.db2.gz RCLSKGXLMPHDPK-NEPJUHHUSA-N 1 0 323.418 2.564 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000602781742 399570128 /nfs/dbraw/zinc/57/01/28/399570128.db2.gz VNNGEDOEPGDXMT-AWEZNQCLSA-N 1 0 316.405 2.971 20 5 DFBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000157939864 197229358 /nfs/dbraw/zinc/22/93/58/197229358.db2.gz YZFPDKIPMHPCFW-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1C2CCCC1CCC2 ZINC000612083656 399576192 /nfs/dbraw/zinc/57/61/92/399576192.db2.gz RAXGPHAOOYOGEQ-YMAMQOFZSA-N 1 0 320.389 2.742 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@H](O)C2)s1 ZINC000157658379 197205928 /nfs/dbraw/zinc/20/59/28/197205928.db2.gz OLIDQYKCADFREZ-NSHDSACASA-N 1 0 304.371 2.890 20 5 DFBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800990 399579848 /nfs/dbraw/zinc/57/98/48/399579848.db2.gz KHHZFAPWIAHCDA-OAHLLOKOSA-N 1 0 320.368 2.824 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000602798881 399580202 /nfs/dbraw/zinc/58/02/02/399580202.db2.gz GVYGXSZBRAHGAH-CQSZACIVSA-N 1 0 304.350 2.578 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000602806131 399582435 /nfs/dbraw/zinc/58/24/35/399582435.db2.gz LVNWRPVFIAKDHO-KOLCDFICSA-N 1 0 320.315 2.763 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602818637 399587228 /nfs/dbraw/zinc/58/72/28/399587228.db2.gz VZGMEFLSSKKFBN-GOEBONIOSA-N 1 0 314.389 2.829 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000602816277 399587680 /nfs/dbraw/zinc/58/76/80/399587680.db2.gz UHQAKYABJXVSNZ-UHFFFAOYSA-N 1 0 314.389 2.763 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2CCc2ccccc2)c1 ZINC000174823452 285189256 /nfs/dbraw/zinc/18/92/56/285189256.db2.gz RAICKNSBZVFKPN-MRXNPFEDSA-N 1 0 314.389 2.889 20 5 DFBDRO NC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268788 296399000 /nfs/dbraw/zinc/39/90/00/296399000.db2.gz DYGKZTMIAPDXMT-BPUTZDHNSA-N 1 0 303.406 2.633 20 5 DFBDRO CCn1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000271511700 208971349 /nfs/dbraw/zinc/97/13/49/208971349.db2.gz OWHGUDOCKMAOMJ-CYBMUJFWSA-N 1 0 302.378 2.922 20 5 DFBDRO CCN(C#N)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000602840808 399597702 /nfs/dbraw/zinc/59/77/02/399597702.db2.gz LVYWWMIZYMDCDF-HNNXBMFYSA-N 1 0 302.378 2.577 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000602843251 399598754 /nfs/dbraw/zinc/59/87/54/399598754.db2.gz ZKNPZPORBMNRIU-MRXNPFEDSA-N 1 0 314.389 2.979 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000156044746 197082362 /nfs/dbraw/zinc/08/23/62/197082362.db2.gz QLQJAMNYFONWSU-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO CCC[C@@H]([NH2+]CCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000120353308 195150231 /nfs/dbraw/zinc/15/02/31/195150231.db2.gz RUDMFIVYMZJLJV-OAHLLOKOSA-N 1 0 307.394 2.798 20 5 DFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154189145 196946032 /nfs/dbraw/zinc/94/60/32/196946032.db2.gz BJSWUZVMICNWPF-DIOULYMOSA-N 1 0 324.446 2.618 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000423471086 296419104 /nfs/dbraw/zinc/41/91/04/296419104.db2.gz PPKGOUHSQJMZMK-GHMZBOCLSA-N 1 0 323.418 2.516 20 5 DFBDRO COCC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000347938688 285257886 /nfs/dbraw/zinc/25/78/86/285257886.db2.gz WQXAWNGODIVQOS-HNNXBMFYSA-N 1 0 320.345 2.934 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000271552534 209006514 /nfs/dbraw/zinc/00/65/14/209006514.db2.gz VYSOXTDIKHESJW-OCCSQVGLSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(c2ccco2)CC1 ZINC000602884575 399615821 /nfs/dbraw/zinc/61/58/21/399615821.db2.gz OKELNPRWBJFQFJ-UHFFFAOYSA-N 1 0 304.350 2.572 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)cc1 ZINC000602887233 399615771 /nfs/dbraw/zinc/61/57/71/399615771.db2.gz NMKDTJBXJOVZPC-MRXNPFEDSA-N 1 0 316.361 2.924 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000120820210 195244172 /nfs/dbraw/zinc/24/41/72/195244172.db2.gz WZJQGYNJJSTCQD-UHFFFAOYSA-N 1 0 307.394 2.789 20 5 DFBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccco1 ZINC000289565798 221071599 /nfs/dbraw/zinc/07/15/99/221071599.db2.gz ZDIXVZFBHYSMRM-UHFFFAOYSA-N 1 0 309.391 2.813 20 5 DFBDRO 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 221108924 /nfs/dbraw/zinc/10/89/24/221108924.db2.gz LOISKTFTFIOUSM-IUKJFTNHSA-N 1 0 302.374 2.758 20 5 DFBDRO CCOc1cc(C[N@H+]2CCC[C@@H](OCC)C2)ccc1[N+](=O)[O-] ZINC000617201117 399628062 /nfs/dbraw/zinc/62/80/62/399628062.db2.gz NSOALDBOSNWSEZ-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000294915857 224308590 /nfs/dbraw/zinc/30/85/90/224308590.db2.gz YJNNOLCEVKJZSU-KRWDZBQOSA-N 1 0 300.358 2.942 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997461 399654787 /nfs/dbraw/zinc/65/47/87/399654787.db2.gz KQQFEABYXJXYJM-BBWFWOEESA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602998171 399656089 /nfs/dbraw/zinc/65/60/89/399656089.db2.gz YMAUOLZLVOCRRT-PEYYIBSZSA-N 1 0 308.353 2.859 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423724723 296442058 /nfs/dbraw/zinc/44/20/58/296442058.db2.gz NBAAWXNTKDSKBV-SWLSCSKDSA-N 1 0 317.389 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)n1 ZINC000121017747 195280551 /nfs/dbraw/zinc/28/05/51/195280551.db2.gz JJRWRVKFXXIJJI-UHFFFAOYSA-N 1 0 312.373 2.768 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(CO)c1 ZINC000121690387 195330826 /nfs/dbraw/zinc/33/08/26/195330826.db2.gz JLHWETDJOKNGFZ-CYBMUJFWSA-N 1 0 300.358 2.980 20 5 DFBDRO CC[N@H+](CCC1CC1)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000612854287 399737411 /nfs/dbraw/zinc/73/74/11/399737411.db2.gz CYHJIPGQLBMLSI-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO Cc1cc(C(=O)NCCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000121873844 195365588 /nfs/dbraw/zinc/36/55/88/195365588.db2.gz PWUHTZKYVZFABK-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO CCC[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000121930507 195376328 /nfs/dbraw/zinc/37/63/28/195376328.db2.gz DVNKATHZWSNMFJ-INIZCTEOSA-N 1 0 321.421 2.528 20 5 DFBDRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000122038672 195393244 /nfs/dbraw/zinc/39/32/44/195393244.db2.gz OFLOLBQGOIIFSP-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000122143308 195409554 /nfs/dbraw/zinc/40/95/54/195409554.db2.gz WXBBZMMQWUQCLE-XJKSGUPXSA-N 1 0 308.378 2.831 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122478013 195456372 /nfs/dbraw/zinc/45/63/72/195456372.db2.gz LSUNHOUWBJEICX-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000127718060 195903232 /nfs/dbraw/zinc/90/32/32/195903232.db2.gz MMHXIYQBBXZDIO-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO Cc1nn(CC[C@H]2CCCC[N@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603324495 399744996 /nfs/dbraw/zinc/74/49/96/399744996.db2.gz GVNKOMDRJCYOAT-GFCCVEGCSA-N 1 0 303.366 2.522 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)C[NH+](C)C ZINC000295749887 533312962 /nfs/dbraw/zinc/31/29/62/533312962.db2.gz ZQSRJVWZDONMJL-JTQLQIEISA-N 1 0 304.350 2.514 20 5 DFBDRO Nc1cnccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000603424664 399773148 /nfs/dbraw/zinc/77/31/48/399773148.db2.gz PREKOTJUZPYBNP-UHFFFAOYSA-N 1 0 300.362 2.685 20 5 DFBDRO COc1ccc(CN2[C@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000603432580 399775112 /nfs/dbraw/zinc/77/51/12/399775112.db2.gz IZBYUMXJPPLGKX-SCRDCRAPSA-N 1 0 307.394 2.551 20 5 DFBDRO COc1ccc(CN2[C@H](C)[C@H](C)CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000603432576 399775396 /nfs/dbraw/zinc/77/53/96/399775396.db2.gz IZBYUMXJPPLGKX-BZPMIXESSA-N 1 0 307.394 2.551 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC(F)(F)F ZINC000603427535 399774380 /nfs/dbraw/zinc/77/43/80/399774380.db2.gz MZVQZKOVGLFGMA-DJTWPOEFSA-N 1 0 318.295 2.901 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423968834 296469848 /nfs/dbraw/zinc/46/98/48/296469848.db2.gz VGRIJLGBDDQVLD-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603437493 399776048 /nfs/dbraw/zinc/77/60/48/399776048.db2.gz NPLTZMQSGFDMDD-VUDBWIFFSA-N 1 0 316.304 2.613 20 5 DFBDRO C[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617729178 399784495 /nfs/dbraw/zinc/78/44/95/399784495.db2.gz YHGUEIBVSVGNGX-STQMWFEESA-N 1 0 319.405 2.545 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000366650169 131282749 /nfs/dbraw/zinc/28/27/49/131282749.db2.gz DTQDVQPPRDCUTN-ZFWWWQNUSA-N 1 0 302.330 2.711 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000164181787 132130990 /nfs/dbraw/zinc/13/09/90/132130990.db2.gz FQUUDZLHGUATBF-JSGCOSHPSA-N 1 0 320.393 2.753 20 5 DFBDRO O=[N+]([O-])c1ncccc1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000603838909 399807356 /nfs/dbraw/zinc/80/73/56/399807356.db2.gz VMFDSMHVBYXRND-ZDUSSCGKSA-N 1 0 302.334 2.832 20 5 DFBDRO COc1ccc(C[NH2+]CCc2csc(C)n2)cc1[N+](=O)[O-] ZINC000223448550 542886533 /nfs/dbraw/zinc/88/65/33/542886533.db2.gz KBMZBUVXLPFUTN-UHFFFAOYSA-N 1 0 307.375 2.701 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424349593 296504383 /nfs/dbraw/zinc/50/43/83/296504383.db2.gz MCEUJTIMRRIGEU-FMSGJZPZSA-N 1 0 303.362 2.700 20 5 DFBDRO [NH3+]C1(c2noc(CCc3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424348160 296504555 /nfs/dbraw/zinc/50/45/55/296504555.db2.gz SVCKFOZXMDIPIX-UHFFFAOYSA-N 1 0 316.361 2.881 20 5 DFBDRO CC[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424458457 296510600 /nfs/dbraw/zinc/51/06/00/296510600.db2.gz CCIKGYRVKSXOFO-RBSFLKMASA-N 1 0 320.393 2.615 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000604556261 399855711 /nfs/dbraw/zinc/85/57/11/399855711.db2.gz CANGJEGOVJOECG-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000353883532 146812102 /nfs/dbraw/zinc/81/21/02/146812102.db2.gz QGDSKJYPVRKTKP-HOTGVXAUSA-N 1 0 304.390 2.524 20 5 DFBDRO CC(C)[C@@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000165365012 145229771 /nfs/dbraw/zinc/22/97/71/145229771.db2.gz HYJBXSBBLOZOGI-WBVHZDCISA-N 1 0 306.406 2.913 20 5 DFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165909155 145233083 /nfs/dbraw/zinc/23/30/83/145233083.db2.gz KDUWUMZQOJCSSG-LBPRGKRZSA-N 1 0 311.769 2.592 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000172168528 145293677 /nfs/dbraw/zinc/29/36/77/145293677.db2.gz INKZAEBFQGEIDY-BLLLJJGKSA-N 1 0 317.389 2.868 20 5 DFBDRO CC(C)(C)[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000172624555 145309807 /nfs/dbraw/zinc/30/98/07/145309807.db2.gz YXYDLIJNYWBJLB-UHFFFAOYSA-N 1 0 321.402 2.927 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173053047 145331529 /nfs/dbraw/zinc/33/15/29/145331529.db2.gz WHSMKTMADFBMLH-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000175795058 145420535 /nfs/dbraw/zinc/42/05/35/145420535.db2.gz HYQLXEZYPUOYTH-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000190974629 145874929 /nfs/dbraw/zinc/87/49/29/145874929.db2.gz SVEPQPAPMOHPFZ-UHFFFAOYSA-N 1 0 312.801 2.955 20 5 DFBDRO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192548211 145925708 /nfs/dbraw/zinc/92/57/08/145925708.db2.gz SXXGEYPXWQVCER-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246670910 146148466 /nfs/dbraw/zinc/14/84/66/146148466.db2.gz LGUAOJUCLNLGFX-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000246701551 146150759 /nfs/dbraw/zinc/15/07/59/146150759.db2.gz NICYFESTAXUWQE-DZGCQCFKSA-N 1 0 306.362 2.604 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000246701575 146151104 /nfs/dbraw/zinc/15/11/04/146151104.db2.gz NICYFESTAXUWQE-ZFWWWQNUSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000249004816 146182150 /nfs/dbraw/zinc/18/21/50/146182150.db2.gz SFOWWWSBVXPQOM-OCCSQVGLSA-N 1 0 318.377 2.604 20 5 DFBDRO C[C@]1(C[NH3+])CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000261579385 146242092 /nfs/dbraw/zinc/24/20/92/146242092.db2.gz PMSOFNVDFUGYOZ-GFCCVEGCSA-N 1 0 314.183 2.532 20 5 DFBDRO C[C@]1(C[NH3+])CCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000261591033 146242319 /nfs/dbraw/zinc/24/23/19/146242319.db2.gz XJWCRNYYAUGMIQ-GFCCVEGCSA-N 1 0 314.183 2.532 20 5 DFBDRO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000261919365 146301154 /nfs/dbraw/zinc/30/11/54/146301154.db2.gz HMOFJFMGFAVGCG-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO Cc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1[N+](=O)[O-] ZINC000261921963 146301887 /nfs/dbraw/zinc/30/18/87/146301887.db2.gz RRQZQKGZISPYDS-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261989689 146317812 /nfs/dbraw/zinc/31/78/12/146317812.db2.gz SUGWCJVNFGAUHC-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO CC1(CNc2c3ccccc3ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262133914 146337015 /nfs/dbraw/zinc/33/70/15/146337015.db2.gz LSRFLWMDZJFXMM-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262618359 146377291 /nfs/dbraw/zinc/37/72/91/146377291.db2.gz FAOHGJYWGPZONC-STQMWFEESA-N 1 0 317.389 2.510 20 5 DFBDRO C[C@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000262626802 146378928 /nfs/dbraw/zinc/37/89/28/146378928.db2.gz KTSBXKWEIMVJNM-CYBMUJFWSA-N 1 0 319.405 2.579 20 5 DFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000355323442 147264151 /nfs/dbraw/zinc/26/41/51/147264151.db2.gz SAXBTFSROWWIEE-UHFFFAOYSA-N 1 0 323.780 2.630 20 5 DFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354513 147281124 /nfs/dbraw/zinc/28/11/24/147281124.db2.gz LIYSMWBGMRNNLR-GDBMZVCRSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736890 148102150 /nfs/dbraw/zinc/10/21/50/148102150.db2.gz CMVILNJNMVRSDT-FMKPAKJESA-N 1 0 322.405 2.845 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000357774407 148117819 /nfs/dbraw/zinc/11/78/19/148117819.db2.gz KNKASWAINJOGDV-SNVBAGLBSA-N 1 0 311.411 2.836 20 5 DFBDRO CC1=CCN(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000358132106 148253988 /nfs/dbraw/zinc/25/39/88/148253988.db2.gz GLSXPLXHEQNUKZ-XQRVVYSFSA-N 1 0 301.390 2.850 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000358315598 148326920 /nfs/dbraw/zinc/32/69/20/148326920.db2.gz WYCAIIOTXFVJJL-LBPRGKRZSA-N 1 0 307.394 2.753 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000358360152 148341627 /nfs/dbraw/zinc/34/16/27/148341627.db2.gz VLIBXEKZMUCUCX-ZDUSSCGKSA-N 1 0 321.421 2.682 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000360996374 149002149 /nfs/dbraw/zinc/00/21/49/149002149.db2.gz SJDOGANSVPWAJJ-CQSZACIVSA-N 1 0 321.425 2.796 20 5 DFBDRO Cc1ccc(-c2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023330 149011276 /nfs/dbraw/zinc/01/12/76/149011276.db2.gz UYZHCGMWKCOHFV-JQWIXIFHSA-N 1 0 302.334 2.618 20 5 DFBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361026030 149011483 /nfs/dbraw/zinc/01/14/83/149011483.db2.gz GZEKWIYGIMGHRR-WDEREUQCSA-N 1 0 321.402 2.967 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000361134130 149036546 /nfs/dbraw/zinc/03/65/46/149036546.db2.gz CMLXTJNHQACALL-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])n1C ZINC000361203091 149053304 /nfs/dbraw/zinc/05/33/04/149053304.db2.gz BOJJURVCQFCZBN-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCCCC[C@@H]32)c1 ZINC000361343155 149090228 /nfs/dbraw/zinc/09/02/28/149090228.db2.gz VBSLSAWTSZFYAP-LXZKKBNFSA-N 1 0 320.389 2.599 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361471722 149124137 /nfs/dbraw/zinc/12/41/37/149124137.db2.gz UACYLMGUJBTLKZ-INIZCTEOSA-N 1 0 313.357 2.643 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000361652147 149180958 /nfs/dbraw/zinc/18/09/58/149180958.db2.gz HUIUKXXQKFUYER-KGLIPLIRSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](COCC2CC2)C1 ZINC000362590051 149317556 /nfs/dbraw/zinc/31/75/56/149317556.db2.gz IPHOXVWABXBFDH-GUYCJALGSA-N 1 0 320.389 2.783 20 5 DFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000351501165 286137092 /nfs/dbraw/zinc/13/70/92/286137092.db2.gz IPMUOYVNLNLZSB-MJBXVCDLSA-N 1 0 324.425 2.662 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCC3CCOCC3)CC2)n1 ZINC000369693004 149824382 /nfs/dbraw/zinc/82/43/82/149824382.db2.gz LQLWJZYEKSSNBC-UHFFFAOYSA-N 1 0 322.409 2.635 20 5 DFBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371368136 150031899 /nfs/dbraw/zinc/03/18/99/150031899.db2.gz CODWSJKTEICASE-INIZCTEOSA-N 1 0 311.341 2.511 20 5 DFBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000351602868 286166133 /nfs/dbraw/zinc/16/61/33/286166133.db2.gz JCKKTEADNZIMMX-QWRGUYRKSA-N 1 0 324.356 2.680 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351603537 286166153 /nfs/dbraw/zinc/16/61/53/286166153.db2.gz AWRIWQSZLHQXSZ-AWEZNQCLSA-N 1 0 324.356 2.538 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000372764870 150182123 /nfs/dbraw/zinc/18/21/23/150182123.db2.gz ZJXZBEIPDVGWLL-NSHDSACASA-N 1 0 323.418 2.745 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000372804483 150187399 /nfs/dbraw/zinc/18/73/99/150187399.db2.gz MPCPHBSNFLVWMV-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1ncccc1O[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000372813242 150188212 /nfs/dbraw/zinc/18/82/12/150188212.db2.gz FEPCIGWDBLFFEW-MRXNPFEDSA-N 1 0 313.357 2.952 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444215 150368529 /nfs/dbraw/zinc/36/85/29/150368529.db2.gz PVMOVODECZJGQW-UKRRQHHQSA-N 1 0 300.362 2.916 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374526642 150373240 /nfs/dbraw/zinc/37/32/40/150373240.db2.gz KDTINGJESZSEBL-DUVNUKRYSA-N 1 0 306.362 2.584 20 5 DFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc([N+](=O)[O-])s1 ZINC000375057836 150394230 /nfs/dbraw/zinc/39/42/30/150394230.db2.gz DGCZPIQFAZLLOY-UHFFFAOYSA-N 1 0 321.333 2.693 20 5 DFBDRO COc1cc(N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000376678247 286228634 /nfs/dbraw/zinc/22/86/34/286228634.db2.gz GCVJBXLJAUVBTL-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO CC(=O)c1ccc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])c1 ZINC000351863442 286234227 /nfs/dbraw/zinc/23/42/27/286234227.db2.gz TXSHUKGWIWRATA-HNNXBMFYSA-N 1 0 323.418 2.647 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]3COCC[C@@H]32)c(F)c1 ZINC000351881547 286236225 /nfs/dbraw/zinc/23/62/25/286236225.db2.gz NCYNECCJZIWCMB-BMIGLBTASA-N 1 0 312.316 2.874 20 5 DFBDRO COc1cc(C[N@@H+](C)C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000351923179 286245574 /nfs/dbraw/zinc/24/55/74/286245574.db2.gz QSFIZFKCEDPFSP-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO COc1cc(CN2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000352407211 286365569 /nfs/dbraw/zinc/36/55/69/286365569.db2.gz SGOYHUXZKDSEPZ-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000173284911 292283222 /nfs/dbraw/zinc/28/32/22/292283222.db2.gz SAQYUWGLSKFYKV-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000137107644 292283287 /nfs/dbraw/zinc/28/32/87/292283287.db2.gz RDLIBWCBGNIPGB-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000332013423 292283566 /nfs/dbraw/zinc/28/35/66/292283566.db2.gz PPJFLUYATGLNPA-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000266333396 286383150 /nfs/dbraw/zinc/38/31/50/286383150.db2.gz HEKWXFUTDYBHBL-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371529540 292296685 /nfs/dbraw/zinc/29/66/85/292296685.db2.gz SQHQSYYBCBXCDR-GRDNDAEWSA-N 1 0 303.406 2.990 20 5 DFBDRO Cc1cnn(C)c1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000352779588 286465404 /nfs/dbraw/zinc/46/54/04/286465404.db2.gz XETNDMAOCFDFHO-UHFFFAOYSA-N 1 0 302.378 2.749 20 5 DFBDRO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000428751116 296715646 /nfs/dbraw/zinc/71/56/46/296715646.db2.gz RAYVCWMXMJUWJT-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO CC(C)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000352896667 286497146 /nfs/dbraw/zinc/49/71/46/286497146.db2.gz JFIVGWRRGFURNJ-DDJMYBDESA-N 1 0 315.377 2.723 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCC2(O)CCOCC2)cc1[N+](=O)[O-] ZINC000353045147 286538130 /nfs/dbraw/zinc/53/81/30/286538130.db2.gz HJEXPLPJQTWHSJ-UHFFFAOYSA-N 1 0 322.405 2.739 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C(C)(C)C ZINC000353115801 286554911 /nfs/dbraw/zinc/55/49/11/286554911.db2.gz FGRCELANYVOTRV-ZBFHGGJFSA-N 1 0 319.405 2.686 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000429151474 296732968 /nfs/dbraw/zinc/73/29/68/296732968.db2.gz NNDVASFQYGKGQR-GHMZBOCLSA-N 1 0 317.345 2.540 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000429664190 296754398 /nfs/dbraw/zinc/75/43/98/296754398.db2.gz IUGMBPWRLCAXOW-UHFFFAOYSA-N 1 0 307.394 2.506 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C2(CC(N)=O)CCC2)cc1[N+](=O)[O-] ZINC000353428937 286641992 /nfs/dbraw/zinc/64/19/92/286641992.db2.gz WJLAEIQSMPBXDH-UHFFFAOYSA-N 1 0 305.378 2.606 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000429685927 296754750 /nfs/dbraw/zinc/75/47/50/296754750.db2.gz XTONKRRQJMRTHJ-CABCVRRESA-N 1 0 319.405 2.851 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429674488 296754363 /nfs/dbraw/zinc/75/43/63/296754363.db2.gz UUHFDVOSSOBRTK-GJZGRUSLSA-N 1 0 305.378 2.509 20 5 DFBDRO COCCOC[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182814450 158006926 /nfs/dbraw/zinc/00/69/26/158006926.db2.gz IHVBBMRCKAPGNR-GJZGRUSLSA-N 1 0 322.405 2.949 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000184717542 158037129 /nfs/dbraw/zinc/03/71/29/158037129.db2.gz TXIKVVDJEQNLAJ-VUDGCMKMSA-N 1 0 318.373 2.882 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000184719619 158037538 /nfs/dbraw/zinc/03/75/38/158037538.db2.gz CEZWRDAXOSMRAY-LBPRGKRZSA-N 1 0 306.362 2.677 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000246996155 158112718 /nfs/dbraw/zinc/11/27/18/158112718.db2.gz JPDDLEACCBFEHN-XBFCOCLRSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000247272590 158125583 /nfs/dbraw/zinc/12/55/83/158125583.db2.gz FOABYYKUPCKHAF-BBRMVZONSA-N 1 0 319.405 2.706 20 5 DFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248066403 158160434 /nfs/dbraw/zinc/16/04/34/158160434.db2.gz ZOUGJTQJCVXBEO-PBHICJAKSA-N 1 0 321.421 2.602 20 5 DFBDRO COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248131910 158162039 /nfs/dbraw/zinc/16/20/39/158162039.db2.gz ONRBCXOJFWUGSJ-HUUCEWRRSA-N 1 0 319.405 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000248456083 158177395 /nfs/dbraw/zinc/17/73/95/158177395.db2.gz LIRJVLAPYZZZIL-CABCVRRESA-N 1 0 320.389 2.599 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000355065722 158265317 /nfs/dbraw/zinc/26/53/17/158265317.db2.gz TUQMIDTYXPWUCR-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CCCCO[C@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082056 158361780 /nfs/dbraw/zinc/36/17/80/158361780.db2.gz WRVQRPMQOBJTGQ-GJZGRUSLSA-N 1 0 324.425 2.707 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000358374170 158373020 /nfs/dbraw/zinc/37/30/20/158373020.db2.gz YMLICZWXFQXTAY-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000358384602 158374640 /nfs/dbraw/zinc/37/46/40/158374640.db2.gz ZJBITJMHAMSJRM-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)OCCCO1 ZINC000190651584 286814275 /nfs/dbraw/zinc/81/42/75/286814275.db2.gz YDTPMFKQDWBZKF-ZDUSSCGKSA-N 1 0 308.378 2.659 20 5 DFBDRO CC[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359432584 286930204 /nfs/dbraw/zinc/93/02/04/286930204.db2.gz WIEHCIBXEVQOTA-IAGOWNOFSA-N 1 0 322.405 2.813 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000053204712 425887215 /nfs/dbraw/zinc/88/72/15/425887215.db2.gz XLUCLGJQPSPWNX-SNVBAGLBSA-N 1 0 303.284 2.802 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184107746 287145079 /nfs/dbraw/zinc/14/50/79/287145079.db2.gz QYFCNFSUSXHPSA-AWEZNQCLSA-N 1 0 320.389 2.785 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000129722928 196071535 /nfs/dbraw/zinc/07/15/35/196071535.db2.gz HGFOEHINYWNUHE-HZMBPMFUSA-N 1 0 311.357 2.883 20 5 DFBDRO CC(C)[NH+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000131779375 196198053 /nfs/dbraw/zinc/19/80/53/196198053.db2.gz MKFDEBGEDRABPM-UHFFFAOYSA-N 1 0 311.357 2.583 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000132956782 196299579 /nfs/dbraw/zinc/29/95/79/196299579.db2.gz URZKJIQWSYUREV-SJORKVTESA-N 1 0 319.405 2.775 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000296703457 226141764 /nfs/dbraw/zinc/14/17/64/226141764.db2.gz IIBWZZZJZUYUJC-AEGPPILISA-N 1 0 319.405 2.988 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000296703514 226141846 /nfs/dbraw/zinc/14/18/46/226141846.db2.gz IIBWZZZJZUYUJC-QEJZJMRPSA-N 1 0 319.405 2.988 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291230119 222240396 /nfs/dbraw/zinc/24/03/96/222240396.db2.gz KHNKRJHKCYGQGF-SFHVURJKSA-N 1 0 312.369 2.731 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1 ZINC000291230117 222241077 /nfs/dbraw/zinc/24/10/77/222241077.db2.gz KHNKRJHKCYGQGF-GOSISDBHSA-N 1 0 312.369 2.731 20 5 DFBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C(F)F)n1 ZINC000291268435 222272106 /nfs/dbraw/zinc/27/21/06/222272106.db2.gz SYTRPPGXXRXHOX-UHFFFAOYSA-N 1 0 310.304 2.598 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493871015 299846086 /nfs/dbraw/zinc/84/60/86/299846086.db2.gz ZXEUVNRHBDETSC-YFHOEESVSA-N 1 0 317.389 2.599 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301573503 229752201 /nfs/dbraw/zinc/75/22/01/229752201.db2.gz LPCANPOTZLPSKZ-QWRGUYRKSA-N 1 0 308.338 2.788 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1cccs1 ZINC000302014113 230034297 /nfs/dbraw/zinc/03/42/97/230034297.db2.gz BLPJNEQNINQUBB-AWEZNQCLSA-N 1 0 321.402 2.863 20 5 DFBDRO Cc1nn(C)c(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065201 230074776 /nfs/dbraw/zinc/07/47/76/230074776.db2.gz VSJJAUAEAGJTFI-WCQYABFASA-N 1 0 321.425 2.702 20 5 DFBDRO Cc1cc(N(C)C[C@H](O)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302087609 230089735 /nfs/dbraw/zinc/08/97/35/230089735.db2.gz OAKPTBXOXABWBW-INIZCTEOSA-N 1 0 301.346 2.659 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066532422 425904548 /nfs/dbraw/zinc/90/45/48/425904548.db2.gz XFFKZGXMRTWEDJ-STQMWFEESA-N 1 0 317.389 2.747 20 5 DFBDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000067416035 425910350 /nfs/dbraw/zinc/91/03/50/425910350.db2.gz MEMGCAKPSGRHBF-GXTWGEPZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000067661130 425911921 /nfs/dbraw/zinc/91/19/21/425911921.db2.gz MHSIWEFXJSPGCC-DZGCQCFKSA-N 1 0 310.394 2.701 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000124493902 425922176 /nfs/dbraw/zinc/92/21/76/425922176.db2.gz LTQFFZAHOJROBY-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000173056472 267561029 /nfs/dbraw/zinc/56/10/29/267561029.db2.gz CLAQQUQHVKLLFW-NHAQELONSA-N 1 0 319.405 2.701 20 5 DFBDRO C[C@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000031654264 425835872 /nfs/dbraw/zinc/83/58/72/425835872.db2.gz ZLQHEPSDRITQAV-LLVKDONJSA-N 1 0 303.362 2.796 20 5 DFBDRO COC(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)oc1C ZINC000194416082 268102623 /nfs/dbraw/zinc/10/26/23/268102623.db2.gz JZCWOGYREOIPSL-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000047873421 425872223 /nfs/dbraw/zinc/87/22/23/425872223.db2.gz XWTHNQCXQMWYON-SNVBAGLBSA-N 1 0 309.395 2.590 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])c(C2CC2)n1)Cc1ccc(F)cc1 ZINC000195051026 268125967 /nfs/dbraw/zinc/12/59/67/268125967.db2.gz WOJJOKGMXYISBJ-UHFFFAOYSA-N 1 0 318.352 2.940 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248370499 268165953 /nfs/dbraw/zinc/16/59/53/268165953.db2.gz XOXULYQGNWYATA-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273359945 268254793 /nfs/dbraw/zinc/25/47/93/268254793.db2.gz DYXYWSVGKBTKRG-IINYFYTJSA-N 1 0 324.356 2.584 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000296359717 268303353 /nfs/dbraw/zinc/30/33/53/268303353.db2.gz QLZXYSJILOYBQL-UHFFFAOYSA-N 1 0 320.393 2.982 20 5 DFBDRO CCOc1cccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000317143717 268345461 /nfs/dbraw/zinc/34/54/61/268345461.db2.gz HPYQKGCXIMBYSO-LBPRGKRZSA-N 1 0 305.378 2.890 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000319367204 268346265 /nfs/dbraw/zinc/34/62/65/268346265.db2.gz PJGVSCUSUCPDMA-OAHLLOKOSA-N 1 0 305.378 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F ZINC000319883762 268347390 /nfs/dbraw/zinc/34/73/90/268347390.db2.gz JJRMJNJHVSHVGV-NXEZZACHSA-N 1 0 315.295 2.659 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000071148187 425983521 /nfs/dbraw/zinc/98/35/21/425983521.db2.gz YSIRQBBSTZXFIB-VIFPVBQESA-N 1 0 303.284 2.659 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107528880 425995339 /nfs/dbraw/zinc/99/53/39/425995339.db2.gz RCSKRIJJCLJVHL-MRXNPFEDSA-N 1 0 317.389 2.685 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000334041864 268426027 /nfs/dbraw/zinc/42/60/27/268426027.db2.gz FCINFSJZFCAUMA-PWSUYJOCSA-N 1 0 323.418 2.529 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336849949 268439309 /nfs/dbraw/zinc/43/93/09/268439309.db2.gz UVSCDNUJPVNOPT-VIFPVBQESA-N 1 0 309.395 2.742 20 5 DFBDRO C[C@@H](O)C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000125205528 425958268 /nfs/dbraw/zinc/95/82/68/425958268.db2.gz NUJAEVXGICOGAU-LLVKDONJSA-N 1 0 320.320 2.997 20 5 DFBDRO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000125216769 425960210 /nfs/dbraw/zinc/96/02/10/425960210.db2.gz WSSRFNQAJMJMPV-UHFFFAOYSA-N 1 0 323.393 2.941 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000070544194 425972653 /nfs/dbraw/zinc/97/26/53/425972653.db2.gz AABSFXDNWPJZRV-VIFPVBQESA-N 1 0 302.172 2.753 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000126495805 426023345 /nfs/dbraw/zinc/02/33/45/426023345.db2.gz PCFQLELGLVLWES-JSGCOSHPSA-N 1 0 305.378 2.565 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000112983483 426099540 /nfs/dbraw/zinc/09/95/40/426099540.db2.gz OHLJBTPOZYWLKX-UHFFFAOYSA-N 1 0 311.769 2.919 20 5 DFBDRO CCC[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113342263 426112952 /nfs/dbraw/zinc/11/29/52/426112952.db2.gz YQJDSBAPZIZOQK-CQSZACIVSA-N 1 0 321.402 2.969 20 5 DFBDRO CC[C@H](CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000166745586 426128923 /nfs/dbraw/zinc/12/89/23/426128923.db2.gz BUUOEOGDKLSUPP-CZUORRHYSA-N 1 0 306.406 2.914 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000128857877 426136004 /nfs/dbraw/zinc/13/60/04/426136004.db2.gz GHVSSVWPRFPUNX-ZIAGYGMSSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@](CO)([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000077656022 426143216 /nfs/dbraw/zinc/14/32/16/426143216.db2.gz VVWNYTLRYPVUCR-QGZVFWFLSA-N 1 0 322.405 2.895 20 5 DFBDRO CSCCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000130307305 426154254 /nfs/dbraw/zinc/15/42/54/426154254.db2.gz WCDJRGSCQLXSDY-UHFFFAOYSA-N 1 0 320.418 2.838 20 5 DFBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C1CC1 ZINC000130746817 426162799 /nfs/dbraw/zinc/16/27/99/426162799.db2.gz WCVVEFKLAVLKMF-SUMWQHHRSA-N 1 0 317.433 2.988 20 5 DFBDRO Cc1c(CN2CCC[C@@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000171708543 426205755 /nfs/dbraw/zinc/20/57/55/426205755.db2.gz CZHXCHYKAOEOMV-MRXNPFEDSA-N 1 0 303.406 2.963 20 5 DFBDRO Cc1c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116125884 426179746 /nfs/dbraw/zinc/17/97/46/426179746.db2.gz VYRCYVSLNPZKBJ-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116128634 426180463 /nfs/dbraw/zinc/18/04/63/426180463.db2.gz HHAPCPCWCJOFOU-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116130285 426180496 /nfs/dbraw/zinc/18/04/96/426180496.db2.gz KNDDKMADZSRUKQ-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116130759 426181040 /nfs/dbraw/zinc/18/10/40/426181040.db2.gz KUEKOGFECNFYGU-OAHLLOKOSA-N 1 0 321.421 2.620 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000134773228 426195767 /nfs/dbraw/zinc/19/57/67/426195767.db2.gz DRUSPKQIHQHYFV-ZDUSSCGKSA-N 1 0 323.780 2.559 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC000081097044 426220713 /nfs/dbraw/zinc/22/07/13/426220713.db2.gz SLOOEYZOKYDMDF-IUODEOHRSA-N 1 0 309.385 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3cccc(F)c3)C2)nc1 ZINC000118866428 426249903 /nfs/dbraw/zinc/24/99/03/426249903.db2.gz DAVOCDFRPRNSFY-CQSZACIVSA-N 1 0 316.336 2.815 20 5 DFBDRO CC(C)([NH2+]Cc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000080347142 426215018 /nfs/dbraw/zinc/21/50/18/426215018.db2.gz UIWPRFGUZDPQNO-UHFFFAOYSA-N 1 0 313.357 2.719 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000175216443 426289270 /nfs/dbraw/zinc/28/92/70/426289270.db2.gz VJDYFOCHTIIFMC-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000151435846 426295299 /nfs/dbraw/zinc/29/52/99/426295299.db2.gz OKMTVWPKVXDZQF-KGLIPLIRSA-N 1 0 310.394 2.587 20 5 DFBDRO C[C@@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000089912499 426318306 /nfs/dbraw/zinc/31/83/06/426318306.db2.gz IOPUWZMOIWDRQT-MJBXVCDLSA-N 1 0 319.405 2.515 20 5 DFBDRO CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000121247260 426328979 /nfs/dbraw/zinc/32/89/79/426328979.db2.gz KXDVJKYDPZLGDX-UHFFFAOYSA-N 1 0 307.394 2.625 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175039896 426275663 /nfs/dbraw/zinc/27/56/63/426275663.db2.gz HZQGKEYNBWNBET-HUUCEWRRSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@H+](CCC(=O)OC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000153617146 426395369 /nfs/dbraw/zinc/39/53/69/426395369.db2.gz VGDITBGRDXYVFN-UHFFFAOYSA-N 1 0 300.742 2.633 20 5 DFBDRO CCC[NH+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000176214256 426361241 /nfs/dbraw/zinc/36/12/41/426361241.db2.gz MWEINDWPDMPXKY-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000094342395 426361545 /nfs/dbraw/zinc/36/15/45/426361545.db2.gz KAPFUSPZHHIVRX-KWQFWETISA-N 1 0 303.284 2.787 20 5 DFBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176250928 426364442 /nfs/dbraw/zinc/36/44/42/426364442.db2.gz YOIQHWKQHUFWSU-CQSZACIVSA-N 1 0 302.378 2.663 20 5 DFBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176263175 426365246 /nfs/dbraw/zinc/36/52/46/426365246.db2.gz QWCMNNXVHSRTLP-HNNXBMFYSA-N 1 0 302.378 2.744 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccco2)C1 ZINC000176287120 426366929 /nfs/dbraw/zinc/36/69/29/426366929.db2.gz WOQQGEOJSXOIIJ-OLZOCXBDSA-N 1 0 304.350 2.858 20 5 DFBDRO [NH3+]C1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCCCC1 ZINC000122481142 426377472 /nfs/dbraw/zinc/37/74/72/426377472.db2.gz ZFVZYWDTZYXERX-UHFFFAOYSA-N 1 0 309.341 2.515 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000122586449 426382692 /nfs/dbraw/zinc/38/26/92/426382692.db2.gz MGBMNTPUCAHKTK-WCQYABFASA-N 1 0 305.378 2.820 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000153515414 426389607 /nfs/dbraw/zinc/38/96/07/426389607.db2.gz FEUJHECODCSBTJ-LLVKDONJSA-N 1 0 310.741 2.951 20 5 DFBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000176538249 426392193 /nfs/dbraw/zinc/39/21/93/426392193.db2.gz IJLSECSSJOVVGM-UHFFFAOYSA-N 1 0 322.409 2.955 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000176986804 426430617 /nfs/dbraw/zinc/43/06/17/426430617.db2.gz NNSDCERJZIBOOH-KXKDPZRNSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1c(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177097906 426443465 /nfs/dbraw/zinc/44/34/65/426443465.db2.gz PNOUJUGHMIYIIY-AAEUAGOBSA-N 1 0 318.377 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+]1CCCC1 ZINC000340844296 269020771 /nfs/dbraw/zinc/02/07/71/269020771.db2.gz WDWAOVHCEXRABC-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(OC(F)F)c2)c1 ZINC000341280681 269059392 /nfs/dbraw/zinc/05/93/92/269059392.db2.gz VTDFINUEAWPESF-UHFFFAOYSA-N 1 0 309.272 2.881 20 5 DFBDRO Cc1ccnc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1[N+](=O)[O-] ZINC000154900582 426458978 /nfs/dbraw/zinc/45/89/78/426458978.db2.gz IZZQBRBBPKLQAB-ZDUSSCGKSA-N 1 0 304.394 2.751 20 5 DFBDRO Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000154933038 426460105 /nfs/dbraw/zinc/46/01/05/426460105.db2.gz IDHLAUDGZDMWOO-ZDUSSCGKSA-N 1 0 304.394 2.751 20 5 DFBDRO CC(C)OC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000098144826 426480637 /nfs/dbraw/zinc/48/06/37/426480637.db2.gz MZTWKTMRHSWSDO-INIZCTEOSA-N 1 0 310.394 2.591 20 5 DFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186363428 426512323 /nfs/dbraw/zinc/51/23/23/426512323.db2.gz OQUPDCXOAAFDSZ-GFCCVEGCSA-N 1 0 321.377 2.551 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000264206144 426517386 /nfs/dbraw/zinc/51/73/86/426517386.db2.gz SCJLRUOGJXDGMS-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000177786269 426520007 /nfs/dbraw/zinc/52/00/07/426520007.db2.gz HCPARELXXLRDNT-NEPJUHHUSA-N 1 0 323.418 2.664 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288415149 426520284 /nfs/dbraw/zinc/52/02/84/426520284.db2.gz NNRCADSQYDBNRR-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1OC ZINC000272432177 426523129 /nfs/dbraw/zinc/52/31/29/426523129.db2.gz GTPGYMMFHIIBRA-UHFFFAOYSA-N 1 0 323.393 2.756 20 5 DFBDRO Cc1nc(C[C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000195517794 426533119 /nfs/dbraw/zinc/53/31/19/426533119.db2.gz AIJXLPWZAYRCIV-AWEZNQCLSA-N 1 0 316.361 2.741 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272487660 426537879 /nfs/dbraw/zinc/53/78/79/426537879.db2.gz DFBMQRUGUDPHBX-OAHLLOKOSA-N 1 0 300.362 2.807 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177528530 426492233 /nfs/dbraw/zinc/49/22/33/426492233.db2.gz ANTOIKXDXUEZRI-ZIAGYGMSSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000177592647 426498015 /nfs/dbraw/zinc/49/80/15/426498015.db2.gz NRUGKTKNHJUALW-STQMWFEESA-N 1 0 305.378 2.506 20 5 DFBDRO CC(C)[N@H+](CC[C@H]1CCOC1=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000177658676 426502123 /nfs/dbraw/zinc/50/21/23/426502123.db2.gz KRBMDEGNKBFWHS-AWEZNQCLSA-N 1 0 306.362 2.758 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NCc1cn2c(n1)CCCC2 ZINC000288086200 426505569 /nfs/dbraw/zinc/50/55/69/426505569.db2.gz WDTJJOPITBEFIA-UHFFFAOYSA-N 1 0 314.345 2.942 20 5 DFBDRO Cn1cc([C@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000264147549 426505646 /nfs/dbraw/zinc/50/56/46/426505646.db2.gz ZKGSBEPEENGLJV-MRXNPFEDSA-N 1 0 316.361 2.544 20 5 DFBDRO COC[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])OC ZINC000272678480 426573139 /nfs/dbraw/zinc/57/31/39/426573139.db2.gz MLAXKYPPVOGLCG-CWRNSKLLSA-N 1 0 322.405 2.557 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186688021 426578348 /nfs/dbraw/zinc/57/83/48/426578348.db2.gz PFABZTAGENGXBD-BXKDBHETSA-N 1 0 319.386 2.537 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000280520757 426593204 /nfs/dbraw/zinc/59/32/04/426593204.db2.gz OERFSCWLDKRYLF-LBPRGKRZSA-N 1 0 308.378 2.586 20 5 DFBDRO CSc1ccccc1C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000280544443 426595869 /nfs/dbraw/zinc/59/58/69/426595869.db2.gz TWWIUIQWXGQMRL-UHFFFAOYSA-N 1 0 306.391 2.645 20 5 DFBDRO C[C@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273120815 426595991 /nfs/dbraw/zinc/59/59/91/426595991.db2.gz ZKSMNROHPFUHHO-CVEARBPZSA-N 1 0 306.362 2.521 20 5 DFBDRO Cc1nccn1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273144092 426601206 /nfs/dbraw/zinc/60/12/06/426601206.db2.gz WDWZTMJQDUSDJS-UHFFFAOYSA-N 1 0 308.769 2.933 20 5 DFBDRO [NH3+][C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178327981 426605939 /nfs/dbraw/zinc/60/59/39/426605939.db2.gz VYBAWFKRBSIDRY-CQSZACIVSA-N 1 0 305.381 2.951 20 5 DFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332207 426609027 /nfs/dbraw/zinc/60/90/27/426609027.db2.gz ZOUGJTQJCVXBEO-YOEHRIQHSA-N 1 0 321.421 2.602 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000289260347 426614967 /nfs/dbraw/zinc/61/49/67/426614967.db2.gz FRAJRUQCKHYYHN-WMLDXEAASA-N 1 0 303.406 2.962 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000272562071 426557766 /nfs/dbraw/zinc/55/77/66/426557766.db2.gz LWKQEKPYFWSOMT-CHWSQXEVSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000178464594 426634669 /nfs/dbraw/zinc/63/46/69/426634669.db2.gz DVWWGDWIQVOTCY-UONOGXRCSA-N 1 0 319.405 2.955 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccoc1 ZINC000178475299 426635876 /nfs/dbraw/zinc/63/58/76/426635876.db2.gz PENRFOOIJLVAJT-NSHDSACASA-N 1 0 303.318 2.695 20 5 DFBDRO O=C(NC[C@H]1CCC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178485193 426637946 /nfs/dbraw/zinc/63/79/46/426637946.db2.gz YTLNHUYSKAANDW-JTQLQIEISA-N 1 0 319.386 2.539 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCNC(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000178490858 426638047 /nfs/dbraw/zinc/63/80/47/426638047.db2.gz LQXYABVCOCHUDQ-GFCCVEGCSA-N 1 0 317.345 2.577 20 5 DFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCc2c1cnn2C ZINC000178505781 426642729 /nfs/dbraw/zinc/64/27/29/426642729.db2.gz ROXGIWQEDIQGLN-HNNXBMFYSA-N 1 0 318.352 2.977 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000265774682 426686586 /nfs/dbraw/zinc/68/65/86/426686586.db2.gz NBCSUPPYXNQEAL-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO CN(CCc1cnn(C)c1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000265565518 426655452 /nfs/dbraw/zinc/65/54/52/426655452.db2.gz GKASYNLDQWDKRG-UHFFFAOYSA-N 1 0 308.769 2.656 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280841940 426666938 /nfs/dbraw/zinc/66/69/38/426666938.db2.gz ASRGCWHTHJSAMZ-GXTWGEPZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[C@@H](C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000265655727 426669743 /nfs/dbraw/zinc/66/97/43/426669743.db2.gz ZWIJQXYSCAOVLG-WFASDCNBSA-N 1 0 307.394 2.892 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178683264 426674200 /nfs/dbraw/zinc/67/42/00/426674200.db2.gz IDACYNIDUHZFIF-OLZOCXBDSA-N 1 0 307.394 2.715 20 5 DFBDRO C[C@@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265679928 426674618 /nfs/dbraw/zinc/67/46/18/426674618.db2.gz ZOIIUZQTQMMIOT-JTQLQIEISA-N 1 0 307.375 2.579 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227694544 426629323 /nfs/dbraw/zinc/62/93/23/426629323.db2.gz LKFVOBLZFLHFEG-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178867485 426709975 /nfs/dbraw/zinc/70/99/75/426709975.db2.gz MVFQLOJHWBRCKE-IRXDYDNUSA-N 1 0 315.373 2.804 20 5 DFBDRO CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000265843924 426698312 /nfs/dbraw/zinc/69/83/12/426698312.db2.gz GYNMWVBAMSVXSU-ZDUSSCGKSA-N 1 0 323.393 2.669 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@]12CCCO2 ZINC000273620517 426698334 /nfs/dbraw/zinc/69/83/34/426698334.db2.gz QNNSHRPTTFHNJM-BRWVUGGUSA-N 1 0 320.389 2.719 20 5 DFBDRO COc1ncccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000290280676 426733017 /nfs/dbraw/zinc/73/30/17/426733017.db2.gz XDELCTKDXMRMCH-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO COC(=O)CC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000281637553 426734341 /nfs/dbraw/zinc/73/43/41/426734341.db2.gz MALQSFUMPODVLK-UHFFFAOYSA-N 1 0 318.373 2.903 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266564297 426739705 /nfs/dbraw/zinc/73/97/05/426739705.db2.gz ZCLFKSUXEZPFFW-OCCSQVGLSA-N 1 0 318.373 2.931 20 5 DFBDRO CC(=O)c1ccc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000281712261 426750135 /nfs/dbraw/zinc/75/01/35/426750135.db2.gz CLPAYXIMTIGUBE-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO CN(C(=O)c1cc2ccccc2c2cccnc12)[C@H]1CC[NH2+]C1 ZINC000179100351 426750494 /nfs/dbraw/zinc/75/04/94/426750494.db2.gz LKWZUMAPDPOYKF-AWEZNQCLSA-N 1 0 305.381 2.822 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179521262 426798241 /nfs/dbraw/zinc/79/82/41/426798241.db2.gz FJBYBNXTMDHEOT-CYBMUJFWSA-N 1 0 321.421 2.980 20 5 DFBDRO COCCC[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000266946665 426803226 /nfs/dbraw/zinc/80/32/26/426803226.db2.gz CSOPHNIHVYMNFS-UHFFFAOYSA-N 1 0 307.394 2.816 20 5 DFBDRO CS[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274668906 426814888 /nfs/dbraw/zinc/81/48/88/426814888.db2.gz KUYBDKXUHUIKEQ-CABCVRRESA-N 1 0 307.419 2.611 20 5 DFBDRO Cn1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000267058225 426818486 /nfs/dbraw/zinc/81/84/86/426818486.db2.gz GHENYVUYFQJMFV-UHFFFAOYSA-N 1 0 311.288 2.825 20 5 DFBDRO COc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800013 426840508 /nfs/dbraw/zinc/84/05/08/426840508.db2.gz POPBYVFNBLHRLU-NXEZZACHSA-N 1 0 309.341 2.780 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246584544 426848087 /nfs/dbraw/zinc/84/80/87/426848087.db2.gz GFOKWCXFRSTXPX-NEPJUHHUSA-N 1 0 305.378 2.562 20 5 DFBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282201234 426851219 /nfs/dbraw/zinc/85/12/19/426851219.db2.gz GUHOWQSFXBCEBQ-LKTVYLICSA-N 1 0 317.389 2.574 20 5 DFBDRO CCC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282205157 426853610 /nfs/dbraw/zinc/85/36/10/426853610.db2.gz HARCUGJNZLYSHP-SPLOXXLWSA-N 1 0 310.419 2.937 20 5 DFBDRO CCC[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282205153 426854022 /nfs/dbraw/zinc/85/40/22/426854022.db2.gz HARCUGJNZLYSHP-QKKBWIMNSA-N 1 0 310.419 2.937 20 5 DFBDRO CCOc1cc(N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000267257304 426855399 /nfs/dbraw/zinc/85/53/99/426855399.db2.gz VXCRVFRVKJLXJV-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1C ZINC000282219090 426855739 /nfs/dbraw/zinc/85/57/39/426855739.db2.gz YNBRAVNQFCNIFC-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCC1 ZINC000275800623 426921593 /nfs/dbraw/zinc/92/15/93/426921593.db2.gz YKMMOIHXNKSWRG-AWEZNQCLSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@@H](C1CCCCC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282323978 426880818 /nfs/dbraw/zinc/88/08/18/426880818.db2.gz AFVIRNMKAMPDSP-ZDUSSCGKSA-N 1 0 307.394 2.657 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282352761 426888813 /nfs/dbraw/zinc/88/88/13/426888813.db2.gz PJXJJVOWRONZSM-DFBGVHRSSA-N 1 0 305.378 2.693 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000189796517 426952736 /nfs/dbraw/zinc/95/27/36/426952736.db2.gz CLUJYFSCHNRSAG-CYBMUJFWSA-N 1 0 305.378 2.542 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104887 426954452 /nfs/dbraw/zinc/95/44/52/426954452.db2.gz MAZNUJGLFNVUTR-ZIAGYGMSSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)c1cccnc1 ZINC000295429505 426954927 /nfs/dbraw/zinc/95/49/27/426954927.db2.gz FPRYUNJTANAWNW-KRWDZBQOSA-N 1 0 315.373 2.934 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CSC1(C)C ZINC000283140747 426961128 /nfs/dbraw/zinc/96/11/28/426961128.db2.gz HEBWWJXFJXTYJD-GXFFZTMASA-N 1 0 323.418 2.796 20 5 DFBDRO C[NH+](C)CCN(Cc1ccco1)c1ncc([N+](=O)[O-])cc1Cl ZINC000268288439 426978066 /nfs/dbraw/zinc/97/80/66/426978066.db2.gz CWVACPKJUPNGMC-UHFFFAOYSA-N 1 0 324.768 2.804 20 5 DFBDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283292981 426991994 /nfs/dbraw/zinc/99/19/94/426991994.db2.gz MTIPOOQAMKKENY-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000248888099 427059245 /nfs/dbraw/zinc/05/92/45/427059245.db2.gz IHRWVLCUHRQCJQ-GXTWGEPZSA-N 1 0 306.362 2.534 20 5 DFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291808311 426996404 /nfs/dbraw/zinc/99/64/04/426996404.db2.gz JYYURCDLHLCNHI-ZETCQYMHSA-N 1 0 320.176 2.582 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000181929928 426996436 /nfs/dbraw/zinc/99/64/36/426996436.db2.gz WZYDCXRARAKBID-CQSZACIVSA-N 1 0 320.389 2.601 20 5 DFBDRO Cc1cnc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000268363982 426997290 /nfs/dbraw/zinc/99/72/90/426997290.db2.gz XMHOHODBZRNVOE-KBPBESRZSA-N 1 0 322.409 2.600 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000276177841 427000575 /nfs/dbraw/zinc/00/05/75/427000575.db2.gz SSGFZQRNKWBTEO-UHFFFAOYSA-N 1 0 317.389 2.710 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC3CC(F)(F)C3)CC2)c1 ZINC000295550073 427003261 /nfs/dbraw/zinc/00/32/61/427003261.db2.gz PFXISKGKDUMEPD-UHFFFAOYSA-N 1 0 311.332 2.762 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268463898 427024889 /nfs/dbraw/zinc/02/48/89/427024889.db2.gz LKBCNOMWZOOQDD-AAEUAGOBSA-N 1 0 315.377 2.962 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000276288058 427028587 /nfs/dbraw/zinc/02/85/87/427028587.db2.gz WMAWOGNGNYWTIP-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO C[C@@H](CCNC(=O)c1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000182221180 427032263 /nfs/dbraw/zinc/03/22/63/427032263.db2.gz PWCPYSBPOOUGEA-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000276421179 427062419 /nfs/dbraw/zinc/06/24/19/427062419.db2.gz NXIRQESJEUEBPA-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1ccc(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000295998024 427040945 /nfs/dbraw/zinc/04/09/45/427040945.db2.gz KSDWEWXHMDSJSV-CYBMUJFWSA-N 1 0 303.406 2.819 20 5 DFBDRO CCN1CCCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000190201323 427042205 /nfs/dbraw/zinc/04/22/05/427042205.db2.gz PYQPKVSKESLGRU-ZDUSSCGKSA-N 1 0 305.378 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000276363531 427045256 /nfs/dbraw/zinc/04/52/56/427045256.db2.gz ZHJHJWYVPQHZDD-AWEZNQCLSA-N 1 0 307.369 2.652 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000276383666 427052540 /nfs/dbraw/zinc/05/25/40/427052540.db2.gz GYEADYLYUVPZDW-SWLSCSKDSA-N 1 0 320.393 2.625 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000276384895 427053129 /nfs/dbraw/zinc/05/31/29/427053129.db2.gz OUFUYQIEWAXKMS-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@H](C)C1 ZINC000248972798 427070474 /nfs/dbraw/zinc/07/04/74/427070474.db2.gz DMPJSAGFNUGZHP-VXGBXAGGSA-N 1 0 323.418 2.607 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249046583 427078791 /nfs/dbraw/zinc/07/87/91/427078791.db2.gz HLMSFAJXPANGGH-SMDDNHRTSA-N 1 0 306.362 2.534 20 5 DFBDRO COCCOCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268721462 427103279 /nfs/dbraw/zinc/10/32/79/427103279.db2.gz INSWZNXJJTVOLI-MRXNPFEDSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292168654 427115496 /nfs/dbraw/zinc/11/54/96/427115496.db2.gz DPMPJXYKPFGQRO-NSHDSACASA-N 1 0 324.812 2.954 20 5 DFBDRO Cc1cc(C)n(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000292175548 427118830 /nfs/dbraw/zinc/11/88/30/427118830.db2.gz QBCJDPHLFSPVAX-UHFFFAOYSA-N 1 0 302.378 2.933 20 5 DFBDRO C[C@@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296244378 427120581 /nfs/dbraw/zinc/12/05/81/427120581.db2.gz KQEHOIXOWWILSU-LBPRGKRZSA-N 1 0 318.377 2.543 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184944 427151706 /nfs/dbraw/zinc/15/17/06/427151706.db2.gz RFYCEHJOOXNKKK-SNVBAGLBSA-N 1 0 315.329 2.757 20 5 DFBDRO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269273985 427157457 /nfs/dbraw/zinc/15/74/57/427157457.db2.gz NULDXLLERUYHGO-GXFFZTMASA-N 1 0 317.345 2.588 20 5 DFBDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284074076 427130603 /nfs/dbraw/zinc/13/06/03/427130603.db2.gz LLEWYGRUECJIEI-MLGOLLRUSA-N 1 0 315.373 2.951 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000182892728 427162223 /nfs/dbraw/zinc/16/22/23/427162223.db2.gz SCWUOQPKIVNUHF-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+](CC)CC)C1 ZINC000175282594 271152185 /nfs/dbraw/zinc/15/21/85/271152185.db2.gz UGPCJACTUZGCCU-INIZCTEOSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000264624062 271277512 /nfs/dbraw/zinc/27/75/12/271277512.db2.gz BUXZQWWWTHNZNW-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000264913386 271278018 /nfs/dbraw/zinc/27/80/18/271278018.db2.gz ZPSVWYIPOBMQKB-KRWDZBQOSA-N 1 0 316.357 2.601 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)C3CC3)o2)c1 ZINC000265207111 271280145 /nfs/dbraw/zinc/28/01/45/271280145.db2.gz CJRNSXWEBOUOGA-OAHLLOKOSA-N 1 0 302.330 2.715 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000280912423 271326873 /nfs/dbraw/zinc/32/68/73/271326873.db2.gz PEACEWFXSZJJOH-VHDGCEQUSA-N 1 0 320.389 2.705 20 5 DFBDRO CC1CCC([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)CC1 ZINC000301282549 271361436 /nfs/dbraw/zinc/36/14/36/271361436.db2.gz KPHDVXXQEJGEAR-UHFFFAOYSA-N 1 0 304.394 2.691 20 5 DFBDRO CCOCC[N@@H+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000252353140 427172959 /nfs/dbraw/zinc/17/29/59/427172959.db2.gz RZQCYUPROKCTLJ-HUUCEWRRSA-N 1 0 321.421 2.698 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277362530 427177254 /nfs/dbraw/zinc/17/72/54/427177254.db2.gz BASXEMPKUMJDTQ-LBPRGKRZSA-N 1 0 317.393 2.639 20 5 DFBDRO C[C@H](CCCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296456323 427184581 /nfs/dbraw/zinc/18/45/81/427184581.db2.gz MZXBHTBNSWUMLG-CJNGLKHVSA-N 1 0 306.406 2.914 20 5 DFBDRO C[C@@H](CCCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296456321 427184996 /nfs/dbraw/zinc/18/49/96/427184996.db2.gz MZXBHTBNSWUMLG-BBRMVZONSA-N 1 0 306.406 2.914 20 5 DFBDRO COCc1noc([C@@H](C)N[C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038365 427187864 /nfs/dbraw/zinc/18/78/64/427187864.db2.gz CJVBKCNFWYOJEC-NXEZZACHSA-N 1 0 306.322 2.536 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000296477513 427191228 /nfs/dbraw/zinc/19/12/28/427191228.db2.gz YDNZDMWAWPVDAW-ARFHVFGLSA-N 1 0 318.373 2.521 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000183079093 427195622 /nfs/dbraw/zinc/19/56/22/427195622.db2.gz UEWOPBBFMYFTFQ-NWDGAFQWSA-N 1 0 323.393 2.956 20 5 DFBDRO Cn1cc(C[NH2+]C2CC(F)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277686186 427285128 /nfs/dbraw/zinc/28/51/28/427285128.db2.gz PZZHLEWGJSYDBV-UHFFFAOYSA-N 1 0 322.315 2.883 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000277543070 427237387 /nfs/dbraw/zinc/23/73/87/427237387.db2.gz XFEYMRIKLCTFGS-UHFFFAOYSA-N 1 0 310.247 2.601 20 5 DFBDRO CC[C@@](C)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000269654147 427240664 /nfs/dbraw/zinc/24/06/64/427240664.db2.gz NSPUNXOGQHQTCJ-UKRRQHHQSA-N 1 0 321.402 3.000 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000183383541 427260435 /nfs/dbraw/zinc/26/04/35/427260435.db2.gz ALQSWHHOFNLHAY-KGLIPLIRSA-N 1 0 315.373 2.538 20 5 DFBDRO CCC(CC)NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345187 427268393 /nfs/dbraw/zinc/26/83/93/427268393.db2.gz FUIOPYSQHHWYQW-ZDUSSCGKSA-N 1 0 321.421 2.762 20 5 DFBDRO COC(=O)c1coc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000338343818 427270165 /nfs/dbraw/zinc/27/01/65/427270165.db2.gz AYRCIDPJJDLMBA-UHFFFAOYSA-N 1 0 318.329 2.649 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330586081 427270299 /nfs/dbraw/zinc/27/02/99/427270299.db2.gz SKVGSIIOGZZSFL-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000183612560 427302919 /nfs/dbraw/zinc/30/29/19/427302919.db2.gz URRMAGQZNGQXGJ-UHFFFAOYSA-N 1 0 321.421 2.934 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000285738208 427323264 /nfs/dbraw/zinc/32/32/64/427323264.db2.gz RFAIWKNRZSOVIT-DJSGYFEHSA-N 1 0 319.405 2.939 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000277844215 427339303 /nfs/dbraw/zinc/33/93/03/427339303.db2.gz JQQPRMPUGHVSHL-UHFFFAOYSA-N 1 0 310.785 2.930 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000183792031 427342915 /nfs/dbraw/zinc/34/29/15/427342915.db2.gz VPCUXIJSZQTWDO-NSHDSACASA-N 1 0 324.377 2.813 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000191405871 427343190 /nfs/dbraw/zinc/34/31/90/427343190.db2.gz DBQMWARHSIBHQL-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000297174396 427349819 /nfs/dbraw/zinc/34/98/19/427349819.db2.gz PSGMIRHCOYBMHA-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000277715526 427293474 /nfs/dbraw/zinc/29/34/74/427293474.db2.gz SORBPRCLKGBINX-NSHDSACASA-N 1 0 324.356 2.682 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183855478 427352128 /nfs/dbraw/zinc/35/21/28/427352128.db2.gz PONJBUAVSVFNSN-CQSZACIVSA-N 1 0 306.362 2.570 20 5 DFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000184211907 427418480 /nfs/dbraw/zinc/41/84/80/427418480.db2.gz JUAPHVRZWQLMHX-LLVKDONJSA-N 1 0 312.341 2.601 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000278000069 427381907 /nfs/dbraw/zinc/38/19/07/427381907.db2.gz ODOPPHOKBKWHCP-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO CCc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000286049516 427409091 /nfs/dbraw/zinc/40/90/91/427409091.db2.gz LGEPJSMTESMNNS-AWEZNQCLSA-N 1 0 305.378 2.501 20 5 DFBDRO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710573 427409400 /nfs/dbraw/zinc/40/94/00/427409400.db2.gz LYHHSJZOMMDYSZ-CHWSQXEVSA-N 1 0 306.410 2.702 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000331155385 427357548 /nfs/dbraw/zinc/35/75/48/427357548.db2.gz YMDMHFAAUCOXFP-QWHCGFSZSA-N 1 0 319.405 2.892 20 5 DFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]12 ZINC000262526238 427362152 /nfs/dbraw/zinc/36/21/52/427362152.db2.gz OXHPFFIBJMUNQE-FBIMIBRVSA-N 1 0 315.295 2.787 20 5 DFBDRO Cc1ccnc(N(C)CCC[N@H+](C)Cc2ccco2)c1[N+](=O)[O-] ZINC000286201322 427451367 /nfs/dbraw/zinc/45/13/67/427451367.db2.gz ASMMTACCJAMXOJ-UHFFFAOYSA-N 1 0 318.377 2.850 20 5 DFBDRO CC(=O)c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233158 427461579 /nfs/dbraw/zinc/46/15/79/427461579.db2.gz OGARXBIRVSILQB-CZUORRHYSA-N 1 0 317.389 2.718 20 5 DFBDRO CCc1nn(C)c(NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000338753264 427469563 /nfs/dbraw/zinc/46/95/63/427469563.db2.gz BDDZDQUBLSPJOL-UHFFFAOYSA-N 1 0 309.414 2.569 20 5 DFBDRO C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000331686313 427479026 /nfs/dbraw/zinc/47/90/26/427479026.db2.gz VMZADUXTMCGNKS-NEPJUHHUSA-N 1 0 319.361 2.623 20 5 DFBDRO CC1CC[NH+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286082592 427422009 /nfs/dbraw/zinc/42/20/09/427422009.db2.gz JUCYYMRWUMOKKC-UHFFFAOYSA-N 1 0 321.406 2.743 20 5 DFBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000293763520 427429164 /nfs/dbraw/zinc/42/91/64/427429164.db2.gz SGYUKDGIOZOEIY-AWEZNQCLSA-N 1 0 322.405 2.997 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293760509 427429296 /nfs/dbraw/zinc/42/92/96/427429296.db2.gz RGLGROZTFZWDBO-CHWSQXEVSA-N 1 0 307.394 2.798 20 5 DFBDRO Cc1cc(N(C)CC[NH+](C)C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338677581 427436197 /nfs/dbraw/zinc/43/61/97/427436197.db2.gz DSMVPOPSMVWWQC-UHFFFAOYSA-N 1 0 305.300 2.920 20 5 DFBDRO CS[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000338697528 427443106 /nfs/dbraw/zinc/44/31/06/427443106.db2.gz FKKURVGBOVIMQB-HUUCEWRRSA-N 1 0 321.446 2.919 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192152445 427491240 /nfs/dbraw/zinc/49/12/40/427491240.db2.gz NAYSRLFPLBNKDV-FZMZJTMJSA-N 1 0 304.346 2.731 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000286336980 427495658 /nfs/dbraw/zinc/49/56/58/427495658.db2.gz GHAUCUFYNAAPCZ-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000332055413 427498278 /nfs/dbraw/zinc/49/82/78/427498278.db2.gz OKKYPFXSHGIZDF-ZDUSSCGKSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1noc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000332069340 427500589 /nfs/dbraw/zinc/50/05/89/427500589.db2.gz BBAFNKVNOIJSGE-ZDUSSCGKSA-N 1 0 302.334 2.584 20 5 DFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000286396411 427515242 /nfs/dbraw/zinc/51/52/42/427515242.db2.gz ZUINCLMIBAZMGZ-AWEZNQCLSA-N 1 0 323.393 2.574 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014340 427531983 /nfs/dbraw/zinc/53/19/83/427531983.db2.gz UDINBQIRQDXRPV-QWHCGFSZSA-N 1 0 300.362 2.705 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+](C)C ZINC000279043058 427539220 /nfs/dbraw/zinc/53/92/20/427539220.db2.gz LQVFOBOGFRUQJA-UHFFFAOYSA-N 1 0 313.785 2.627 20 5 DFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2)c1 ZINC000338899822 427547011 /nfs/dbraw/zinc/54/70/11/427547011.db2.gz IOGDEQUUZCKCKR-RNCFNFMXSA-N 1 0 320.374 2.582 20 5 DFBDRO Cn1cc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279083235 427553032 /nfs/dbraw/zinc/55/30/32/427553032.db2.gz MWCLRSJIKMBOMI-INIZCTEOSA-N 1 0 314.389 2.883 20 5 DFBDRO COc1cccc(N2CCC(C[NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185188416 427611980 /nfs/dbraw/zinc/61/19/80/427611980.db2.gz ODNLCTYNLCKZGY-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000332454867 427616092 /nfs/dbraw/zinc/61/60/92/427616092.db2.gz GGOVBWRKPSNFLG-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279270632 427621572 /nfs/dbraw/zinc/62/15/72/427621572.db2.gz NJUWTYRSZPBQRN-GXFFZTMASA-N 1 0 302.334 2.923 20 5 DFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000192643776 427579376 /nfs/dbraw/zinc/57/93/76/427579376.db2.gz YHQFFJYAYYQMFA-INIZCTEOSA-N 1 0 300.358 2.630 20 5 DFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271740588 427584663 /nfs/dbraw/zinc/58/46/63/427584663.db2.gz CBYKMMUILAZVPX-STQMWFEESA-N 1 0 307.394 2.892 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263844035 427590458 /nfs/dbraw/zinc/59/04/58/427590458.db2.gz ZENYCNCVKZSKRF-AWEZNQCLSA-N 1 0 300.362 2.883 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000192764207 427606780 /nfs/dbraw/zinc/60/67/80/427606780.db2.gz FPXBIWSAXSDFDQ-GFCCVEGCSA-N 1 0 309.414 2.796 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082004 427625679 /nfs/dbraw/zinc/62/56/79/427625679.db2.gz HJSHPLGJPNDLTG-DOMZBBRYSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1ccc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000279310540 427634987 /nfs/dbraw/zinc/63/49/87/427634987.db2.gz NAPVHGVUOURSMD-ZBEGNZNMSA-N 1 0 306.362 2.603 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000264024830 427637818 /nfs/dbraw/zinc/63/78/18/427637818.db2.gz XYOHZCSLOQOYJF-WBVHZDCISA-N 1 0 320.389 2.599 20 5 DFBDRO [NH3+]CC1(CC(=O)NCCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000185352070 427639136 /nfs/dbraw/zinc/63/91/36/427639136.db2.gz IHBHBYGINTVFRH-UHFFFAOYSA-N 1 0 319.405 2.553 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185414997 427649699 /nfs/dbraw/zinc/64/96/99/427649699.db2.gz HJKYPCVODWVOCS-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185422670 427651327 /nfs/dbraw/zinc/65/13/27/427651327.db2.gz VPRVQDZEERWIQA-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298595756 427654545 /nfs/dbraw/zinc/65/45/45/427654545.db2.gz DDOFEWFBZQXTBE-NSHDSACASA-N 1 0 319.361 2.801 20 5 DFBDRO COC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000193037545 427654601 /nfs/dbraw/zinc/65/46/01/427654601.db2.gz KVUJNODZXBAJII-INIZCTEOSA-N 1 0 320.389 2.757 20 5 DFBDRO CCOc1cc(CN2C[C@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378119 427655408 /nfs/dbraw/zinc/65/54/08/427655408.db2.gz SLNOFFNVNFJGIN-YVEFUNNKSA-N 1 0 320.389 2.993 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287651164 427663985 /nfs/dbraw/zinc/66/39/85/427663985.db2.gz LFMIBRDILHMKKA-JQWIXIFHSA-N 1 0 304.268 2.794 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000287651169 427664398 /nfs/dbraw/zinc/66/43/98/427664398.db2.gz LFMIBRDILHMKKA-PWSUYJOCSA-N 1 0 304.268 2.794 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342554001 272023298 /nfs/dbraw/zinc/02/32/98/272023298.db2.gz AFGOGRRVGXCSJJ-LBPRGKRZSA-N 1 0 308.382 2.837 20 5 DFBDRO CC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])[C@H](C)C1 ZINC000343295498 272114013 /nfs/dbraw/zinc/11/40/13/272114013.db2.gz XYGXYOZEHGLJEK-CYBMUJFWSA-N 1 0 314.389 2.982 20 5 DFBDRO C[C@@]1(F)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295058653 427677385 /nfs/dbraw/zinc/67/73/85/427677385.db2.gz BEBMAVNQQINLNY-OAHLLOKOSA-N 1 0 309.341 2.747 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000343382531 272131881 /nfs/dbraw/zinc/13/18/81/272131881.db2.gz GCKDRCCAYCAVLX-WBVHZDCISA-N 1 0 313.357 2.918 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000339092318 427672401 /nfs/dbraw/zinc/67/24/01/427672401.db2.gz DHCKAYVYXMFQGV-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(COC)C1 ZINC000295046788 427672570 /nfs/dbraw/zinc/67/25/70/427672570.db2.gz FHEGSJDLZXJFKG-INIZCTEOSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc(C[N@H+](C)CC[C@H]2CCCO2)c([N+](=O)[O-])cc1OC ZINC000343449267 272150275 /nfs/dbraw/zinc/15/02/75/272150275.db2.gz VYOPOBYERYHZCX-CYBMUJFWSA-N 1 0 324.377 2.613 20 5 DFBDRO Cc1ccnc(N2CC([N@H+](C)Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000343606788 272181709 /nfs/dbraw/zinc/18/17/09/272181709.db2.gz KFSZWGMMZOMZFN-UHFFFAOYSA-N 1 0 312.373 2.619 20 5 DFBDRO COc1cc(CN2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000343754774 272212886 /nfs/dbraw/zinc/21/28/86/272212886.db2.gz WCWKDGIJQAOJFY-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc([N+](=O)[O-])s1 ZINC000343800216 272222079 /nfs/dbraw/zinc/22/20/79/272222079.db2.gz DCHZVVJBUGBDQY-UHFFFAOYSA-N 1 0 310.379 2.603 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ccc([N+](=O)[O-])nc1 ZINC000343806449 272223803 /nfs/dbraw/zinc/22/38/03/272223803.db2.gz KBLOGAKFGXUIRS-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO CC[C@H](CO)N(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000295069255 427679868 /nfs/dbraw/zinc/67/98/68/427679868.db2.gz HGEVADNYIQMNIV-CYBMUJFWSA-N 1 0 321.402 2.921 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000298699313 427680611 /nfs/dbraw/zinc/68/06/11/427680611.db2.gz BEWQMIYUPUNLHG-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000344207341 272287655 /nfs/dbraw/zinc/28/76/55/272287655.db2.gz GLDPRFTZTLUPAF-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344610852 272347754 /nfs/dbraw/zinc/34/77/54/272347754.db2.gz IBNSRFAWLTZDCX-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NC(C)C ZINC000344791828 272369832 /nfs/dbraw/zinc/36/98/32/272369832.db2.gz KUOGKDLNTYEAGD-UKTHLTGXSA-N 1 0 305.378 2.502 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C(F)(F)F ZINC000344799041 272371480 /nfs/dbraw/zinc/37/14/80/272371480.db2.gz YQTOSZRSCKUBIC-LHXVZLOVSA-N 1 0 304.268 2.511 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000344860423 272378330 /nfs/dbraw/zinc/37/83/30/272378330.db2.gz RSQACDPEIUBBNF-UHFFFAOYSA-N 1 0 321.421 2.673 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nc(C)no1 ZINC000344859482 272378675 /nfs/dbraw/zinc/37/86/75/272378675.db2.gz OYMTXFOQICODEP-FMIVXFBMSA-N 1 0 316.361 2.912 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCC1 ZINC000185874988 427722787 /nfs/dbraw/zinc/72/27/87/427722787.db2.gz FVFBHMOHKZSRKQ-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000345043923 272397951 /nfs/dbraw/zinc/39/79/51/272397951.db2.gz KTUWBSVTDGENLC-GLNPCMGASA-N 1 0 317.389 2.599 20 5 DFBDRO COCCC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000287775657 427690114 /nfs/dbraw/zinc/69/01/14/427690114.db2.gz IDLJGQQAGNVIPP-UHFFFAOYSA-N 1 0 311.357 2.647 20 5 DFBDRO Cc1nc(N[C@H](C)C[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000295097315 427690862 /nfs/dbraw/zinc/69/08/62/427690862.db2.gz SWKVHOHAHSQKMB-GFCCVEGCSA-N 1 0 315.377 2.626 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000295113596 427697990 /nfs/dbraw/zinc/69/79/90/427697990.db2.gz MAMREBCSONEXJW-INIZCTEOSA-N 1 0 304.321 2.866 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193920971 427723444 /nfs/dbraw/zinc/72/34/44/427723444.db2.gz ZOQZNJGIKZGYQJ-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc(N2CC[C@H](CCO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336860765 427764076 /nfs/dbraw/zinc/76/40/76/427764076.db2.gz UVFRVKGFAQSIDQ-GFCCVEGCSA-N 1 0 301.346 2.660 20 5 DFBDRO Cc1cc(NCCOCC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336864375 427766367 /nfs/dbraw/zinc/76/63/67/427766367.db2.gz RLIAKVSYLXBDHF-UHFFFAOYSA-N 1 0 301.346 2.712 20 5 DFBDRO CCc1cc(NCCNc2ccccc2[N+](=O)[O-])nc(C)n1 ZINC000301366188 427791038 /nfs/dbraw/zinc/79/10/38/427791038.db2.gz SJEXPNUWAMUWMN-UHFFFAOYSA-N 1 0 301.350 2.780 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000336874498 427769656 /nfs/dbraw/zinc/76/96/56/427769656.db2.gz ZEAGENMDOSGJAE-XHSDSOJGSA-N 1 0 320.389 2.729 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301363335 427791085 /nfs/dbraw/zinc/79/10/85/427791085.db2.gz PSEFFDFZUHDMBS-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000339431218 427774080 /nfs/dbraw/zinc/77/40/80/427774080.db2.gz WOGJIFOAZONNNQ-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO CC(C)C[C@H](C[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000336986406 427784088 /nfs/dbraw/zinc/78/40/88/427784088.db2.gz HOXDIILPHADMDC-CYBMUJFWSA-N 1 0 308.382 2.693 20 5 DFBDRO Cn1cc([C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301256958 427785167 /nfs/dbraw/zinc/78/51/67/427785167.db2.gz BRDPEMMYJDNWSJ-AWEZNQCLSA-N 1 0 323.784 2.697 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+]C2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000339508910 427785324 /nfs/dbraw/zinc/78/53/24/427785324.db2.gz VGKVKVQZBVXVTM-LLVKDONJSA-N 1 0 321.377 2.709 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])c(C)nn1C ZINC000301267086 427785739 /nfs/dbraw/zinc/78/57/39/427785739.db2.gz WMVDRZYEKXAQMX-ZDUSSCGKSA-N 1 0 309.414 2.703 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000334042715 427733640 /nfs/dbraw/zinc/73/36/40/427733640.db2.gz WXIGZJPFZDHZAK-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO CSc1cccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000334076678 427736784 /nfs/dbraw/zinc/73/67/84/427736784.db2.gz QOFBNZPCDGVMOR-WDEREUQCSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299039663 427743137 /nfs/dbraw/zinc/74/31/37/427743137.db2.gz XWYFHBZLUSNNNL-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339589709 427797077 /nfs/dbraw/zinc/79/70/77/427797077.db2.gz JJFJGIANAKCLEI-CABCVRRESA-N 1 0 318.352 2.976 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301485864 427799276 /nfs/dbraw/zinc/79/92/76/427799276.db2.gz XBSLIZVRLQKZDK-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO CC(C)(C)[NH2+]CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000301684078 427816391 /nfs/dbraw/zinc/81/63/91/427816391.db2.gz KQUMYJCRPBDUCV-UHFFFAOYSA-N 1 0 317.187 2.552 20 5 DFBDRO CC(C)[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1(CO)CCC1 ZINC000339728881 427818125 /nfs/dbraw/zinc/81/81/25/427818125.db2.gz FJTHTQBSESBNPN-INIZCTEOSA-N 1 0 322.405 2.750 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301872744 427831958 /nfs/dbraw/zinc/83/19/58/427831958.db2.gz XIHPPIGPPBGIPY-DZGCQCFKSA-N 1 0 316.336 2.986 20 5 DFBDRO COc1cc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000340475294 427858429 /nfs/dbraw/zinc/85/84/29/427858429.db2.gz XFQCGXQXKITPHH-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359419045 427843052 /nfs/dbraw/zinc/84/30/52/427843052.db2.gz LJIGOSQSYJERPI-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355739820 427868415 /nfs/dbraw/zinc/86/84/15/427868415.db2.gz BKPIWLNXFYZKII-QGZVFWFLSA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@@H]1C[NH+](CCCNc2cc(F)ccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302821564 427875466 /nfs/dbraw/zinc/87/54/66/427875466.db2.gz QYKRBHNHIKBNHA-VXGBXAGGSA-N 1 0 311.357 2.645 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784246 427891624 /nfs/dbraw/zinc/89/16/24/427891624.db2.gz IOQFNKUMOZEDQD-HOSILWTGSA-N 1 0 322.405 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2cccc(F)c2)cc1 ZINC000359530468 427893143 /nfs/dbraw/zinc/89/31/43/427893143.db2.gz MXRFHWOQUZNLGC-INIZCTEOSA-N 1 0 304.321 2.600 20 5 DFBDRO C[C@@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000304299408 427926495 /nfs/dbraw/zinc/92/64/95/427926495.db2.gz HXANLHKQXWVVIC-NSHDSACASA-N 1 0 320.320 2.997 20 5 DFBDRO CC[NH+](CC)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000337449572 427910586 /nfs/dbraw/zinc/91/05/86/427910586.db2.gz JYNNAJDSJPXNBH-OAHLLOKOSA-N 1 0 323.418 2.511 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CC[NH+](C(C)C)C(C)C ZINC000359572270 427918460 /nfs/dbraw/zinc/91/84/60/427918460.db2.gz AELADTJEUMAZMC-UHFFFAOYSA-N 1 0 311.430 2.675 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@H]2C1 ZINC000413226091 427995262 /nfs/dbraw/zinc/99/52/62/427995262.db2.gz CWFWVCCYLWAMST-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000340956538 427964245 /nfs/dbraw/zinc/96/42/45/427964245.db2.gz OHMPCJICQGPHGQ-ZDUSSCGKSA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000376769754 427995543 /nfs/dbraw/zinc/99/55/43/427995543.db2.gz VAHLUJWNDZZXRG-UHFFFAOYSA-N 1 0 312.801 2.811 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CCCO ZINC000304514385 427939353 /nfs/dbraw/zinc/93/93/53/427939353.db2.gz UYIHUQKFMZBDCI-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO C[NH+]1CCC(C)(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347297249 272768256 /nfs/dbraw/zinc/76/82/56/272768256.db2.gz GOHRRTUVEFXZFY-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO CSC1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCC1 ZINC000356126653 428032173 /nfs/dbraw/zinc/03/21/73/428032173.db2.gz MUZBBYCSFWCTPS-GFCCVEGCSA-N 1 0 322.434 2.762 20 5 DFBDRO C[NH+](C)CCN(Cc1ccsc1)c1ncccc1[N+](=O)[O-] ZINC000413459306 428054309 /nfs/dbraw/zinc/05/43/09/428054309.db2.gz SECXDAVIRZLKNM-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359778519 428015597 /nfs/dbraw/zinc/01/55/97/428015597.db2.gz OWSUCBDXIXYYBX-SNVBAGLBSA-N 1 0 313.423 2.815 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000413533311 428073585 /nfs/dbraw/zinc/07/35/85/428073585.db2.gz PMIDKNLRLAYBEH-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377179787 428078448 /nfs/dbraw/zinc/07/84/48/428078448.db2.gz PMORSCUBOOKOJN-WFASDCNBSA-N 1 0 317.389 2.860 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CCCc2cccnc21 ZINC000377257053 428092663 /nfs/dbraw/zinc/09/26/63/428092663.db2.gz NJQFVYZMKQMDQR-AWEZNQCLSA-N 1 0 315.377 2.586 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccccn2)n1 ZINC000351517565 428096296 /nfs/dbraw/zinc/09/62/96/428096296.db2.gz OBKCNJNPXINSIS-HUUCEWRRSA-N 1 0 315.377 2.502 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]21 ZINC000370049964 428120961 /nfs/dbraw/zinc/12/09/61/428120961.db2.gz MAFREXZLHCKZNH-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360029003 428124945 /nfs/dbraw/zinc/12/49/45/428124945.db2.gz ZAFSMKIIFYNEOC-CQSZACIVSA-N 1 0 309.797 2.917 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000377121648 428065383 /nfs/dbraw/zinc/06/53/83/428065383.db2.gz WSZHJQNNCNHMOG-HNNXBMFYSA-N 1 0 300.362 2.804 20 5 DFBDRO Cc1cc(N(C)Cc2ccnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000359896362 428065769 /nfs/dbraw/zinc/06/57/69/428065769.db2.gz HRSGJDMFWNZJKT-UHFFFAOYSA-N 1 0 311.345 2.821 20 5 DFBDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352541508 428142496 /nfs/dbraw/zinc/14/24/96/428142496.db2.gz YNWOJJCIXFTZIX-HNNXBMFYSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(=Cc3ccccc3)CC2)c1 ZINC000370167982 428148686 /nfs/dbraw/zinc/14/86/86/428148686.db2.gz XUICJACIAZGQOQ-UHFFFAOYSA-N 1 0 312.373 2.971 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000370210126 428158576 /nfs/dbraw/zinc/15/85/76/428158576.db2.gz NTSTZQLOVRPXKV-CQSZACIVSA-N 1 0 319.405 2.521 20 5 DFBDRO CC(C)[C@]1(CO)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000377730040 428211104 /nfs/dbraw/zinc/21/11/04/428211104.db2.gz ZVRFUWDQLPFYIJ-QGZVFWFLSA-N 1 0 322.405 2.704 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360230431 428213901 /nfs/dbraw/zinc/21/39/01/428213901.db2.gz OJBBALSLLTXBOA-DOMZBBRYSA-N 1 0 323.368 2.647 20 5 DFBDRO COC1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414180057 428227806 /nfs/dbraw/zinc/22/78/06/428227806.db2.gz LDCHVNZQPYMLKS-NEXFUWMNSA-N 1 0 322.409 2.822 20 5 DFBDRO CCn1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000414205657 428233163 /nfs/dbraw/zinc/23/31/63/428233163.db2.gz HOJKTUHXGANJEY-INIZCTEOSA-N 1 0 314.389 2.922 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000370402460 428201556 /nfs/dbraw/zinc/20/15/56/428201556.db2.gz AOHCQCVXVNJHQU-GUYCJALGSA-N 1 0 317.389 2.600 20 5 DFBDRO Cc1cccc(N2CCC[N@@H+](C3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000370412348 428204320 /nfs/dbraw/zinc/20/43/20/428204320.db2.gz JBXAPBTVYHFOBV-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954035 428269111 /nfs/dbraw/zinc/26/91/11/428269111.db2.gz MZYXAKYOKKMUCP-AAEUAGOBSA-N 1 0 306.391 2.731 20 5 DFBDRO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950029 428269132 /nfs/dbraw/zinc/26/91/32/428269132.db2.gz UQPKRWVOYGIJCL-WCQYABFASA-N 1 0 306.391 2.731 20 5 DFBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1c1ccccc1 ZINC000377945631 428269757 /nfs/dbraw/zinc/26/97/57/428269757.db2.gz PVSKZOAPFULJRQ-RHSMWYFYSA-N 1 0 314.389 2.917 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889395 428298703 /nfs/dbraw/zinc/29/87/03/428298703.db2.gz YLQHKXYHHFZLPP-CABCVRRESA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889397 428298758 /nfs/dbraw/zinc/29/87/58/428298758.db2.gz YLQHKXYHHFZLPP-HUUCEWRRSA-N 1 0 322.405 2.989 20 5 DFBDRO CCc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000414435594 428295592 /nfs/dbraw/zinc/29/55/92/428295592.db2.gz BCWRCNXKJHRKFA-UHFFFAOYSA-N 1 0 300.362 2.622 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352776001 428243684 /nfs/dbraw/zinc/24/36/84/428243684.db2.gz AMHSRLXSPVWCRR-LSDHHAIUSA-N 1 0 319.405 2.662 20 5 DFBDRO C[NH2+][C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346638128 428251425 /nfs/dbraw/zinc/25/14/25/428251425.db2.gz JCMVSBCUIHGRDO-CYBMUJFWSA-N 1 0 301.346 2.649 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000346828801 428333651 /nfs/dbraw/zinc/33/36/51/428333651.db2.gz ITBIEEJJQHSEKI-NUEKZKHPSA-N 1 0 303.406 2.887 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000356855035 428336883 /nfs/dbraw/zinc/33/68/83/428336883.db2.gz PSXFIKBOCQOYSK-ZIAGYGMSSA-N 1 0 319.405 2.685 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353020047 428354534 /nfs/dbraw/zinc/35/45/34/428354534.db2.gz NSSJDPXNVAVMKS-TZMCWYRMSA-N 1 0 319.405 2.931 20 5 DFBDRO CC(C)[C@](C)(CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352891583 428302105 /nfs/dbraw/zinc/30/21/05/428302105.db2.gz HKAHYGSEUBDMNZ-INIZCTEOSA-N 1 0 319.361 2.746 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414768003 428397090 /nfs/dbraw/zinc/39/70/90/428397090.db2.gz JXVYHFVSTMHPDJ-HZMBPMFUSA-N 1 0 318.402 2.640 20 5 DFBDRO CN(Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC([NH3+])C1 ZINC000414767481 428397312 /nfs/dbraw/zinc/39/73/12/428397312.db2.gz GFCYPACPSDFLJH-UHFFFAOYSA-N 1 0 318.402 2.640 20 5 DFBDRO CC(C)CC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000360687038 428401083 /nfs/dbraw/zinc/40/10/83/428401083.db2.gz AXVUJLUUKOQRKX-OAHLLOKOSA-N 1 0 321.421 2.514 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414785926 428409469 /nfs/dbraw/zinc/40/94/69/428409469.db2.gz AEGZXRYLRWSDDT-HNNXBMFYSA-N 1 0 303.362 2.928 20 5 DFBDRO CCOc1cc(N2CC[NH+](CCC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000360719008 428412976 /nfs/dbraw/zinc/41/29/76/428412976.db2.gz DYBTUODNVODDMN-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000342233359 428363370 /nfs/dbraw/zinc/36/33/70/428363370.db2.gz SJPNFVJTCVGDKD-SFHVURJKSA-N 1 0 314.385 2.943 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000414664645 428368649 /nfs/dbraw/zinc/36/86/49/428368649.db2.gz UBUNDVUHNIEPDN-UHFFFAOYSA-N 1 0 306.366 2.768 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000414669193 428370791 /nfs/dbraw/zinc/37/07/91/428370791.db2.gz ZJKIGWYKMIMEMJ-OAHLLOKOSA-N 1 0 320.393 2.932 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342275511 428378972 /nfs/dbraw/zinc/37/89/72/428378972.db2.gz CUNXNZNZUBWWLD-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO [NH3+]C1(CNCc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000414879822 428442935 /nfs/dbraw/zinc/44/29/35/428442935.db2.gz IYBQOKLFYAHSJZ-UHFFFAOYSA-N 1 0 301.346 2.826 20 5 DFBDRO Cc1c(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cccc1[N+](=O)[O-] ZINC000372421064 428445249 /nfs/dbraw/zinc/44/52/49/428445249.db2.gz JRKUXDYBYFSBNQ-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353253742 428452273 /nfs/dbraw/zinc/45/22/73/428452273.db2.gz MJPHHHVAIIIVKO-CQSZACIVSA-N 1 0 306.366 2.591 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928660 428458715 /nfs/dbraw/zinc/45/87/15/428458715.db2.gz NDLCKENXFDQNLG-BLLLJJGKSA-N 1 0 315.373 2.942 20 5 DFBDRO CC1CCC([NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000353194864 428425826 /nfs/dbraw/zinc/42/58/26/428425826.db2.gz PYDLRRADVQRZDX-UHFFFAOYSA-N 1 0 304.394 2.691 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353331676 428489245 /nfs/dbraw/zinc/48/92/45/428489245.db2.gz NZNONLIJBSQEDO-DQOPKJQZSA-N 1 0 301.390 2.777 20 5 DFBDRO Cc1c(Cc2noc(CN(C)C(C)C)n2)cccc1[N+](=O)[O-] ZINC000357337653 428489428 /nfs/dbraw/zinc/48/94/28/428489428.db2.gz XGOMUQXOIMGUBH-UHFFFAOYSA-N 1 0 304.350 2.717 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000360918438 428491693 /nfs/dbraw/zinc/49/16/93/428491693.db2.gz JUGPEMYVXHWTFC-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341232 428492233 /nfs/dbraw/zinc/49/22/33/428492233.db2.gz BXLZWYCMMJFBSD-DYEKYZERSA-N 1 0 305.378 2.502 20 5 DFBDRO [NH3+]CC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000415053461 428499989 /nfs/dbraw/zinc/49/99/89/428499989.db2.gz KAGWECHCPHTOQE-JTQLQIEISA-N 1 0 311.691 2.618 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360952728 428505277 /nfs/dbraw/zinc/50/52/77/428505277.db2.gz DMJTWQSRUYAAAH-BETUJISGSA-N 1 0 323.441 2.900 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347246852 428510365 /nfs/dbraw/zinc/51/03/65/428510365.db2.gz AFBFFZLTIQOURU-UHFFFAOYSA-N 1 0 324.356 2.682 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCC(C)CC3)CC2)n1 ZINC000360870427 428472235 /nfs/dbraw/zinc/47/22/35/428472235.db2.gz IGLNQWXWMMTGCV-UHFFFAOYSA-N 1 0 318.421 2.999 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353296524 428472256 /nfs/dbraw/zinc/47/22/56/428472256.db2.gz CGDYOCQCBPIBAH-CQSZACIVSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000372616183 428477048 /nfs/dbraw/zinc/47/70/48/428477048.db2.gz CQJYEFDFMFFQKL-BLLLJJGKSA-N 1 0 319.361 2.539 20 5 DFBDRO CC[C@@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373468236 428586602 /nfs/dbraw/zinc/58/66/02/428586602.db2.gz USPRXPVWCKFPRI-WBVHZDCISA-N 1 0 320.389 2.673 20 5 DFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000373477675 428587595 /nfs/dbraw/zinc/58/75/95/428587595.db2.gz ATMSDBFBENZLJM-IAGOWNOFSA-N 1 0 320.389 2.673 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000353549324 428589879 /nfs/dbraw/zinc/58/98/79/428589879.db2.gz PQISDZQKKJBNKD-DOMZBBRYSA-N 1 0 319.405 2.931 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000358307528 428593307 /nfs/dbraw/zinc/59/33/07/428593307.db2.gz GJMFWTMGSHYMSN-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000347305224 428538374 /nfs/dbraw/zinc/53/83/74/428538374.db2.gz PZIPGEZWDILFBH-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293061 428563758 /nfs/dbraw/zinc/56/37/58/428563758.db2.gz IBDWMZCUZCZYKE-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415303571 428565403 /nfs/dbraw/zinc/56/54/03/428565403.db2.gz UXNATSHRCLBAJI-JSGCOSHPSA-N 1 0 320.393 2.945 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415303578 428565830 /nfs/dbraw/zinc/56/58/30/428565830.db2.gz UXNATSHRCLBAJI-TZMCWYRMSA-N 1 0 320.393 2.945 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000347375799 428567264 /nfs/dbraw/zinc/56/72/64/428567264.db2.gz SAGSPVHEJPJLMX-JEMSNHSXSA-N 1 0 317.389 2.586 20 5 DFBDRO Cc1cc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415416303 428579323 /nfs/dbraw/zinc/57/93/23/428579323.db2.gz KEBCLHHPDDQFRE-NWDGAFQWSA-N 1 0 306.366 2.542 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](CC1CC1)C1CCC1 ZINC000361571623 428579771 /nfs/dbraw/zinc/57/97/71/428579771.db2.gz NFICECGRFNALCW-OAHLLOKOSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000408052329 428597061 /nfs/dbraw/zinc/59/70/61/428597061.db2.gz UDYDATSBWBKKCH-JHJVBQTASA-N 1 0 321.377 2.665 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415585106 428598561 /nfs/dbraw/zinc/59/85/61/428598561.db2.gz ULLHOAMYSLEZHL-NWDGAFQWSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000373562849 428606750 /nfs/dbraw/zinc/60/67/50/428606750.db2.gz SEVSCHWWMOLMRW-HOCLYGCPSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H]([NH2+]CCCN1CCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000344018435 428610098 /nfs/dbraw/zinc/61/00/98/428610098.db2.gz LSIMPMYXUUJLCA-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415649784 428610370 /nfs/dbraw/zinc/61/03/70/428610370.db2.gz DRVQMVKBZBPDDL-NSHDSACASA-N 1 0 324.381 2.633 20 5 DFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030459 428612570 /nfs/dbraw/zinc/61/25/70/428612570.db2.gz BQPZXGRRXHEEAE-KGLIPLIRSA-N 1 0 322.405 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)c2nonc21 ZINC000373679047 428631407 /nfs/dbraw/zinc/63/14/07/428631407.db2.gz DDVPFWHEVTUOIR-UHFFFAOYSA-N 1 0 317.349 2.560 20 5 DFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344444404 428643227 /nfs/dbraw/zinc/64/32/27/428643227.db2.gz YDQGVUPHZLGMPI-OAHLLOKOSA-N 1 0 318.421 2.938 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000362181113 428651632 /nfs/dbraw/zinc/65/16/32/428651632.db2.gz ODWZIACRVOTMBZ-MNOVXSKESA-N 1 0 312.341 2.647 20 5 DFBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295832597 274228727 /nfs/dbraw/zinc/22/87/27/274228727.db2.gz WEJBUCJKDVRQDG-IUCAKERBSA-N 1 0 306.284 2.720 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000262328651 274235063 /nfs/dbraw/zinc/23/50/63/274235063.db2.gz SECTTWAGUAFTJG-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CO ZINC000295832606 274251785 /nfs/dbraw/zinc/25/17/85/274251785.db2.gz WEJBUCJKDVRQDG-RKDXNWHRSA-N 1 0 306.284 2.720 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000408067146 274339156 /nfs/dbraw/zinc/33/91/56/274339156.db2.gz IXLYIASMIBEFFR-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCO1 ZINC000332407077 274385637 /nfs/dbraw/zinc/38/56/37/274385637.db2.gz YTFDXCIYAALJSW-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000374634327 428718610 /nfs/dbraw/zinc/71/86/10/428718610.db2.gz ZWFWAUBBWDONDG-HOTGVXAUSA-N 1 0 306.362 2.651 20 5 DFBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643138 428721829 /nfs/dbraw/zinc/72/18/29/428721829.db2.gz DZSRLMLPNWCMEL-LRDDRELGSA-N 1 0 322.336 2.509 20 5 DFBDRO CCOCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362392125 428729379 /nfs/dbraw/zinc/72/93/79/428729379.db2.gz XIVKQIPASITFNX-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348249843 428678515 /nfs/dbraw/zinc/67/85/15/428678515.db2.gz ZSVYKYITWCVIOG-NVXWUHKLSA-N 1 0 315.373 2.807 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000353749739 428692391 /nfs/dbraw/zinc/69/23/91/428692391.db2.gz MEFUYUZUBQZMKY-SFHVURJKSA-N 1 0 314.385 2.939 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284026 428769647 /nfs/dbraw/zinc/76/96/47/428769647.db2.gz MHNMLAYKGSLKIL-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000359023982 428777738 /nfs/dbraw/zinc/77/77/38/428777738.db2.gz AIHSLEHKMJAMBS-DZGCQCFKSA-N 1 0 319.405 2.812 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1F ZINC000374901868 428778766 /nfs/dbraw/zinc/77/87/66/428778766.db2.gz LJOQWBPPAMSOKM-QGZVFWFLSA-N 1 0 316.332 2.658 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000353934116 428784220 /nfs/dbraw/zinc/78/42/20/428784220.db2.gz WNHYXGOBPALSLG-UHFFFAOYSA-N 1 0 320.393 2.763 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000363035320 428846863 /nfs/dbraw/zinc/84/68/63/428846863.db2.gz KILMJBCIWWOJRR-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000353960668 428795813 /nfs/dbraw/zinc/79/58/13/428795813.db2.gz QAAZLDNYALQMCI-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000375048407 428798824 /nfs/dbraw/zinc/79/88/24/428798824.db2.gz ICULCMNRWRVIAE-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000262529477 274563239 /nfs/dbraw/zinc/56/32/39/274563239.db2.gz PHZLIOQNNVPZPM-NWDGAFQWSA-N 1 0 300.362 2.564 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568331 428820569 /nfs/dbraw/zinc/82/05/69/428820569.db2.gz KCOLBZLJFXIANI-IUODEOHRSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000354014839 428822666 /nfs/dbraw/zinc/82/26/66/428822666.db2.gz OIRRSCDYTARZDO-HIFRSBDPSA-N 1 0 322.405 2.703 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC12CCCCC2 ZINC000363149214 428868074 /nfs/dbraw/zinc/86/80/74/428868074.db2.gz XKCHTDMFIAKBNZ-UHFFFAOYSA-N 1 0 305.378 2.555 20 5 DFBDRO CCOc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348908360 428874046 /nfs/dbraw/zinc/87/40/46/428874046.db2.gz ZOSPVJQHHQOURZ-UHFFFAOYSA-N 1 0 315.373 2.959 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000363198994 428880482 /nfs/dbraw/zinc/88/04/82/428880482.db2.gz MQPZYKMJIDQBEY-INIZCTEOSA-N 1 0 300.362 2.671 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2C2CCOCC2)cc1 ZINC000348948199 428883961 /nfs/dbraw/zinc/88/39/61/428883961.db2.gz LNLLYXCBGGVJIS-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c(Cl)c1 ZINC000418140965 428889019 /nfs/dbraw/zinc/88/90/19/428889019.db2.gz WGWIXXDAZULARI-JTQLQIEISA-N 1 0 319.739 2.677 20 5 DFBDRO CO[C@](C)([C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411942900 428889123 /nfs/dbraw/zinc/88/91/23/428889123.db2.gz IOLODOJUCSHJNQ-BLLLJJGKSA-N 1 0 308.378 2.767 20 5 DFBDRO C[C@@H]1C[C@@H](c2cccs2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305203 428901597 /nfs/dbraw/zinc/90/15/97/428901597.db2.gz AFOYDKPPDFHGGO-VXGBXAGGSA-N 1 0 306.391 2.731 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000363451923 428919014 /nfs/dbraw/zinc/91/90/14/428919014.db2.gz YSVPJTFDMBXDKB-CABCVRRESA-N 1 0 320.389 2.722 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000354226170 428925834 /nfs/dbraw/zinc/92/58/34/428925834.db2.gz VCMQEDSYLOEKDB-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000354226171 428928703 /nfs/dbraw/zinc/92/87/03/428928703.db2.gz VCMQEDSYLOEKDB-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)C(F)F ZINC000349207003 428939360 /nfs/dbraw/zinc/93/93/60/428939360.db2.gz FTBJUHCPCZLKRR-KOLCDFICSA-N 1 0 320.361 2.681 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412082659 428944874 /nfs/dbraw/zinc/94/48/74/428944874.db2.gz MVBZCYMKKPECDD-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1ccc([C@@H](C)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423566290 428971960 /nfs/dbraw/zinc/97/19/60/428971960.db2.gz TZBALXFGNKUSEM-GFCCVEGCSA-N 1 0 307.394 2.786 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC000375699634 428946850 /nfs/dbraw/zinc/94/68/50/428946850.db2.gz BCXZRUQPGWFZJM-UHFFFAOYSA-N 1 0 306.362 2.522 20 5 DFBDRO [NH3+]C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000420182667 428947197 /nfs/dbraw/zinc/94/71/97/428947197.db2.gz GOMGVYQMOBUUOH-MRXNPFEDSA-N 1 0 314.389 3.463 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420185598 428947883 /nfs/dbraw/zinc/94/78/83/428947883.db2.gz KANMFEQLOHQVON-LLVKDONJSA-N 1 0 318.402 3.130 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420193926 428948582 /nfs/dbraw/zinc/94/85/82/428948582.db2.gz UMFUOONRNJUJEB-LBPRGKRZSA-N 1 0 320.418 3.504 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420238642 428951236 /nfs/dbraw/zinc/95/12/36/428951236.db2.gz NWTYMJHNZVOKFS-RYUDHWBXSA-N 1 0 318.402 3.400 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCCC[C@@H]1CCC[NH2+]1 ZINC000420290519 428954724 /nfs/dbraw/zinc/95/47/24/428954724.db2.gz UPAUNXCCHAMFAC-ZDUSSCGKSA-N 1 0 300.362 3.087 20 5 DFBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632520 428958060 /nfs/dbraw/zinc/95/80/60/428958060.db2.gz FAAKSMIJCBRODV-DLBZAZTESA-N 1 0 317.389 2.570 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545862 428969556 /nfs/dbraw/zinc/96/95/56/428969556.db2.gz DWNWFBAUHHGIKN-OCCSQVGLSA-N 1 0 307.394 2.786 20 5 DFBDRO CO[C@@]1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000433244074 429015676 /nfs/dbraw/zinc/01/56/76/429015676.db2.gz XPRBUVZFGKBOJO-DOTOQJQBSA-N 1 0 320.389 2.712 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000433301076 429021548 /nfs/dbraw/zinc/02/15/48/429021548.db2.gz UZNAKCMRCIUYQD-CYBMUJFWSA-N 1 0 320.780 2.934 20 5 DFBDRO Cc1c(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423813225 429029096 /nfs/dbraw/zinc/02/90/96/429029096.db2.gz RVBXNQWTORDPKG-GFCCVEGCSA-N 1 0 319.405 2.545 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423581836 428975471 /nfs/dbraw/zinc/97/54/71/428975471.db2.gz DVSFZQKFNWWSRD-CYBMUJFWSA-N 1 0 305.378 2.590 20 5 DFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](CO)CC(C)(C)C ZINC000451795493 428977918 /nfs/dbraw/zinc/97/79/18/428977918.db2.gz ZGVIYLHTYUTONU-LBPRGKRZSA-N 1 0 320.393 2.700 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813196 428982218 /nfs/dbraw/zinc/98/22/18/428982218.db2.gz JFYOOLMPGFUZAM-SWLSCSKDSA-N 1 0 318.377 2.685 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809716 428982717 /nfs/dbraw/zinc/98/27/17/428982717.db2.gz FJWAIUUMROLQAT-DLBZAZTESA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000375820996 428989141 /nfs/dbraw/zinc/98/91/41/428989141.db2.gz YPWYRJDESILDBI-CZUORRHYSA-N 1 0 317.389 2.602 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000433061246 428990415 /nfs/dbraw/zinc/99/04/15/428990415.db2.gz ONXALTISWYLRRB-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO COc1cc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839715 428993119 /nfs/dbraw/zinc/99/31/19/428993119.db2.gz DITIERVJGIPGIG-HOTGVXAUSA-N 1 0 320.389 2.993 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423682210 428995178 /nfs/dbraw/zinc/99/51/78/428995178.db2.gz GJMKRSPRLJBOMU-HIFRSBDPSA-N 1 0 317.389 2.542 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000451846440 428996590 /nfs/dbraw/zinc/99/65/90/428996590.db2.gz RLIIFTXPXWKBOT-LLVKDONJSA-N 1 0 313.348 2.789 20 5 DFBDRO CCn1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1=O ZINC000433104330 428997281 /nfs/dbraw/zinc/99/72/81/428997281.db2.gz NJDXMEULPVAGAB-GFCCVEGCSA-N 1 0 301.346 2.627 20 5 DFBDRO CCOC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000434606083 429097785 /nfs/dbraw/zinc/09/77/85/429097785.db2.gz HTCLYMJGAPDZEI-UHFFFAOYSA-N 1 0 306.362 2.950 20 5 DFBDRO C[C@@]1(c2ccc(F)cc2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376021440 429043238 /nfs/dbraw/zinc/04/32/38/429043238.db2.gz MDIWUADSMVWFGV-MRXNPFEDSA-N 1 0 318.352 2.594 20 5 DFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000452100463 429057027 /nfs/dbraw/zinc/05/70/27/429057027.db2.gz IALLALIZMOFANQ-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423936493 429060800 /nfs/dbraw/zinc/06/08/00/429060800.db2.gz CNNLDWMIVNCSFK-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO CCOc1cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452119932 429063176 /nfs/dbraw/zinc/06/31/76/429063176.db2.gz QKEWGSTYCYZTSV-HNNXBMFYSA-N 1 0 321.421 2.908 20 5 DFBDRO CCc1ccc([C@@H](N[C@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423337735 429067608 /nfs/dbraw/zinc/06/76/08/429067608.db2.gz VJUFZKVWXXXLCC-BZNIZROVSA-N 1 0 303.362 2.776 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423974049 429068048 /nfs/dbraw/zinc/06/80/48/429068048.db2.gz FWWAORZCEATIBW-SJKOYZFVSA-N 1 0 319.405 2.775 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000423971431 429069001 /nfs/dbraw/zinc/06/90/01/429069001.db2.gz KIFNJVGITFOOAC-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423989012 429071871 /nfs/dbraw/zinc/07/18/71/429071871.db2.gz BAYLARUKKXGAFB-OCCSQVGLSA-N 1 0 319.405 2.775 20 5 DFBDRO C[C@@H]1NCCC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382773 429076937 /nfs/dbraw/zinc/07/69/37/429076937.db2.gz PCQJUGOTWJJBHR-RCBQFDQVSA-N 1 0 303.406 2.646 20 5 DFBDRO CCC[C@H](NC[C@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437923 429088441 /nfs/dbraw/zinc/08/84/41/429088441.db2.gz UPACERXIWOKQBA-IRXDYDNUSA-N 1 0 321.421 2.794 20 5 DFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000413120219 429142744 /nfs/dbraw/zinc/14/27/44/429142744.db2.gz QADDXRODFZPWNE-QMMMGPOBSA-N 1 0 318.299 2.903 20 5 DFBDRO CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424458456 429144045 /nfs/dbraw/zinc/14/40/45/429144045.db2.gz CCIKGYRVKSXOFO-QLFBSQMISA-N 1 0 320.393 2.615 20 5 DFBDRO Cc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000376594974 429144705 /nfs/dbraw/zinc/14/47/05/429144705.db2.gz JIYLFRUNNUNMCH-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000435590348 429150038 /nfs/dbraw/zinc/15/00/38/429150038.db2.gz YQLVZZDJUUVWNP-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DFBDRO CCOC(=O)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000434616620 429100842 /nfs/dbraw/zinc/10/08/42/429100842.db2.gz IIMUKBSYSJXLMY-UHFFFAOYSA-N 1 0 320.389 2.993 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000376394603 429104285 /nfs/dbraw/zinc/10/42/85/429104285.db2.gz ATIZTGZGBOPOEF-NWANDNLSSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000376394602 429105081 /nfs/dbraw/zinc/10/50/81/429105081.db2.gz ATIZTGZGBOPOEF-CFVMTHIKSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000434959262 429116433 /nfs/dbraw/zinc/11/64/33/429116433.db2.gz KYEJXTKNTSRPAQ-CMPLNLGQSA-N 1 0 312.801 2.952 20 5 DFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413077081 429132793 /nfs/dbraw/zinc/13/27/93/429132793.db2.gz RKIYRFNWXHCSDG-UHFFFAOYSA-N 1 0 304.272 2.515 20 5 DFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000494645804 429137165 /nfs/dbraw/zinc/13/71/65/429137165.db2.gz DJKSYAJACYONRL-JSGCOSHPSA-N 1 0 314.769 2.532 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413102662 429137345 /nfs/dbraw/zinc/13/73/45/429137345.db2.gz VOWIXPOEYCZMNZ-QMMMGPOBSA-N 1 0 306.288 2.761 20 5 DFBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CCCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926386 429140652 /nfs/dbraw/zinc/14/06/52/429140652.db2.gz WAZQYKWJPSYIFF-XJKSGUPXSA-N 1 0 317.389 2.822 20 5 DFBDRO COc1cccc(C(=O)Nc2cccc3nccn32)c1[N+](=O)[O-] ZINC000435818785 429165945 /nfs/dbraw/zinc/16/59/45/429165945.db2.gz NWJSUSVUMZZHBO-UHFFFAOYSA-N 1 0 312.285 2.503 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000364089028 429168607 /nfs/dbraw/zinc/16/86/07/429168607.db2.gz PAWLHIGMOQPOPW-KGLIPLIRSA-N 1 0 303.362 2.836 20 5 DFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C2 ZINC000368792717 275026354 /nfs/dbraw/zinc/02/63/54/275026354.db2.gz PVMKLBRDGQECFI-GOSISDBHSA-N 1 0 323.352 2.691 20 5 DFBDRO O=C1[C@@H]([N@@H+]2C[C@H]3CCCC[C@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368685227 275028195 /nfs/dbraw/zinc/02/81/95/275028195.db2.gz ZLLFDVATHNVYAI-WQVCFCJDSA-N 1 0 315.373 2.575 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2NC2CC[NH+](C3CC3)CC2)s1 ZINC000286126344 275034308 /nfs/dbraw/zinc/03/43/08/275034308.db2.gz MPLAJRKDPKISQW-UHFFFAOYSA-N 1 0 319.390 2.638 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2ncccc12 ZINC000266308227 275036863 /nfs/dbraw/zinc/03/68/63/275036863.db2.gz ZVGWSTLZGBZQPE-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000375044428 275039836 /nfs/dbraw/zinc/03/98/36/275039836.db2.gz XIXWRXJNFROXNL-QGZVFWFLSA-N 1 0 316.332 2.827 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191886107 275040502 /nfs/dbraw/zinc/04/05/02/275040502.db2.gz UXCODJZWPPLCSP-JKSUJKDBSA-N 1 0 314.389 2.792 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000364314191 429179634 /nfs/dbraw/zinc/17/96/34/429179634.db2.gz ZHVDEEGIPSIUMS-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO COc1cccc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488750087 429196113 /nfs/dbraw/zinc/19/61/13/429196113.db2.gz NFBIBFAVIVXROZ-GZBFAFLISA-N 1 0 319.405 2.770 20 5 DFBDRO COc1cc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240625 429190526 /nfs/dbraw/zinc/19/05/26/429190526.db2.gz MTNHPQFZSPVWEV-LRDDRELGSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258689 429191838 /nfs/dbraw/zinc/19/18/38/429191838.db2.gz DSKXHCPUNOEFPF-WMLDXEAASA-N 1 0 322.405 2.847 20 5 DFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495559142 429224221 /nfs/dbraw/zinc/22/42/21/429224221.db2.gz NNRBADORNGUGGB-OCCSQVGLSA-N 1 0 321.377 2.551 20 5 DFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000495603364 429230235 /nfs/dbraw/zinc/23/02/35/429230235.db2.gz MCWJJZOWLSNOGI-GFCCVEGCSA-N 1 0 323.393 2.988 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H]1CC1(C)C ZINC000489453887 429243195 /nfs/dbraw/zinc/24/31/95/429243195.db2.gz YJUIYLPIXQOYET-CQSZACIVSA-N 1 0 321.377 2.662 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000425278758 429256027 /nfs/dbraw/zinc/25/60/27/429256027.db2.gz FHSGVYYDYYCJFU-XJKSGUPXSA-N 1 0 312.373 2.673 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365024707 429273450 /nfs/dbraw/zinc/27/34/50/429273450.db2.gz DBAZZWCOVJSWNC-KBPBESRZSA-N 1 0 312.373 3.182 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425356005 429275993 /nfs/dbraw/zinc/27/59/93/429275993.db2.gz NAVLBZHKDWKHRT-WEKMIXOTSA-N 1 0 313.361 2.606 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425361405 429277993 /nfs/dbraw/zinc/27/79/93/429277993.db2.gz XWNKWRZFPUYLAR-CYBMUJFWSA-N 1 0 315.377 2.826 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCCCC1 ZINC000449071360 429323412 /nfs/dbraw/zinc/32/34/12/429323412.db2.gz BFNOVTKDCCVVFB-GJZGRUSLSA-N 1 0 305.422 2.990 20 5 DFBDRO CC[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078916 429325762 /nfs/dbraw/zinc/32/57/62/429325762.db2.gz WUMBYSXSWXWOAS-GDBMZVCRSA-N 1 0 305.422 2.990 20 5 DFBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142990 429341927 /nfs/dbraw/zinc/34/19/27/429341927.db2.gz PHHVTUYUTPVNQN-GDBMZVCRSA-N 1 0 305.422 2.990 20 5 DFBDRO CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000192839950 275557784 /nfs/dbraw/zinc/55/77/84/275557784.db2.gz OWQNDFMNIDTAQS-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426454027 429393241 /nfs/dbraw/zinc/39/32/41/429393241.db2.gz LOKZKVTUDHWHSO-STQMWFEESA-N 1 0 303.362 2.716 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000426504817 429397951 /nfs/dbraw/zinc/39/79/51/429397951.db2.gz PUDHVVCJEPQZJH-VEMDQMBVSA-N 1 0 302.374 2.845 20 5 DFBDRO C[C@@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCC1 ZINC000518038228 429408881 /nfs/dbraw/zinc/40/88/81/429408881.db2.gz RFXXZKAZNHYOFE-NSHDSACASA-N 1 0 317.345 2.555 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426202744 429371924 /nfs/dbraw/zinc/37/19/24/429371924.db2.gz HCZQGWRRUFAXRN-HUUCEWRRSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513809 429439659 /nfs/dbraw/zinc/43/96/59/429439659.db2.gz ULCRVKPRZXCXMT-WMLDXEAASA-N 1 0 324.421 2.982 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491992997 429447061 /nfs/dbraw/zinc/44/70/61/429447061.db2.gz SIQDLDJRVLYAQG-KTKRTIGZSA-N 1 0 319.405 2.798 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000491806320 429412981 /nfs/dbraw/zinc/41/29/81/429412981.db2.gz GWFDFKIDKJGVSO-GXTWGEPZSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491891960 429428642 /nfs/dbraw/zinc/42/86/42/429428642.db2.gz CZTSHGMHBIZKKF-CLFYSBASSA-N 1 0 323.368 2.595 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491909085 429432155 /nfs/dbraw/zinc/43/21/55/429432155.db2.gz AIRUAFWJFHOEQZ-VURMDHGXSA-N 1 0 323.368 2.547 20 5 DFBDRO COc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC000518775762 429433664 /nfs/dbraw/zinc/43/36/64/429433664.db2.gz IBMAHECLULXOOX-UHFFFAOYSA-N 1 0 312.329 2.770 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849908 429473308 /nfs/dbraw/zinc/47/33/08/429473308.db2.gz OGFSLMZYGOZOEJ-DZGCQCFKSA-N 1 0 300.362 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC1CC([NH+]3CCCCC3)C1)CCN2 ZINC000366551083 429474571 /nfs/dbraw/zinc/47/45/71/429474571.db2.gz ZYRXNBXJCRDQTI-UHFFFAOYSA-N 1 0 316.405 2.992 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033066 429484672 /nfs/dbraw/zinc/48/46/72/429484672.db2.gz AKDQBMXLMSFSQO-XJKSGUPXSA-N 1 0 319.405 2.566 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000366614978 429488560 /nfs/dbraw/zinc/48/85/60/429488560.db2.gz AWLLPDOBFSWGQZ-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000366629665 429489664 /nfs/dbraw/zinc/48/96/64/429489664.db2.gz NLLBFAJZPSSULN-SWLSCSKDSA-N 1 0 306.362 2.604 20 5 DFBDRO CN1Cc2ccccc2[C@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000366963643 429549775 /nfs/dbraw/zinc/54/97/75/429549775.db2.gz VDWIBMDAZQNKFC-OAHLLOKOSA-N 1 0 311.341 2.511 20 5 DFBDRO Cc1nc(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450267024 429589449 /nfs/dbraw/zinc/58/94/49/429589449.db2.gz ARIQOUDUSAJZEJ-ABAIWWIYSA-N 1 0 307.398 2.616 20 5 DFBDRO Cc1cnc([C@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000428977818 429567259 /nfs/dbraw/zinc/56/72/59/429567259.db2.gz NOUCMFZRFIIVBH-ZDUSSCGKSA-N 1 0 300.362 2.929 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000521895823 429568476 /nfs/dbraw/zinc/56/84/76/429568476.db2.gz GXKFKLORDIRSIS-CQSZACIVSA-N 1 0 319.405 2.674 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011940 429570728 /nfs/dbraw/zinc/57/07/28/429570728.db2.gz SYAXLUIRTSEDRY-KEYYUXOJSA-N 1 0 303.406 2.757 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000492592102 429572177 /nfs/dbraw/zinc/57/21/77/429572177.db2.gz HQJRQDLQVCBIDZ-KVPUOBJLSA-N 1 0 317.389 2.597 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429030757 429574346 /nfs/dbraw/zinc/57/43/46/429574346.db2.gz SPOVLGZNLIDALD-CKEIUWERSA-N 1 0 303.406 2.757 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000522061197 429577334 /nfs/dbraw/zinc/57/73/34/429577334.db2.gz SGHJQYONROEYRS-ZJUUUORDSA-N 1 0 311.407 2.562 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH2+]Cc3ccccc3)C2)s1 ZINC000367148548 429586156 /nfs/dbraw/zinc/58/61/56/429586156.db2.gz YMKYPZRNVPTOMZ-ZDUSSCGKSA-N 1 0 318.402 2.810 20 5 DFBDRO CCOc1cc(CN2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000492419524 429533518 /nfs/dbraw/zinc/53/35/18/429533518.db2.gz WGUVKBRHAOSDQX-UHFFFAOYSA-N 1 0 321.421 2.767 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429913220 429638722 /nfs/dbraw/zinc/63/87/22/429638722.db2.gz ZRSPLPYAEMCKQM-UHFFFAOYSA-N 1 0 321.421 2.721 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000367178106 429591842 /nfs/dbraw/zinc/59/18/42/429591842.db2.gz GUIDJLOQLIBQST-JGGQBBKZSA-N 1 0 317.389 2.707 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429448967 429609950 /nfs/dbraw/zinc/60/99/50/429609950.db2.gz LQNUSDJKOPGMRT-KOLCDFICSA-N 1 0 318.320 2.660 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450370601 429611702 /nfs/dbraw/zinc/61/17/02/429611702.db2.gz ZOJABVSSPZRTEW-UONOGXRCSA-N 1 0 314.389 3.428 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000430214495 429663404 /nfs/dbraw/zinc/66/34/04/429663404.db2.gz ZOGFQEPDKWWYIV-HIFRSBDPSA-N 1 0 306.362 2.604 20 5 DFBDRO CCN(C)C(=O)[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279135108 276068377 /nfs/dbraw/zinc/06/83/77/276068377.db2.gz RJWCEZUFCHLUFO-NHYWBVRUSA-N 1 0 319.405 2.774 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000267279421 276073769 /nfs/dbraw/zinc/07/37/69/276073769.db2.gz UYDMYRLCJQMXNY-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639590 276113036 /nfs/dbraw/zinc/11/30/36/276113036.db2.gz SQUHPFWOSARZLB-NSHDSACASA-N 1 0 320.393 2.622 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000276412894 276123352 /nfs/dbraw/zinc/12/33/52/276123352.db2.gz IEBOVBIMTLBFCX-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354403592 276213333 /nfs/dbraw/zinc/21/33/33/276213333.db2.gz PJQMJNBQACBJBN-IUODEOHRSA-N 1 0 305.378 2.540 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000173214119 276223910 /nfs/dbraw/zinc/22/39/10/276223910.db2.gz NRMBAAJCGHTNGP-HIFRSBDPSA-N 1 0 319.405 2.706 20 5 DFBDRO CCC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000295060051 276284773 /nfs/dbraw/zinc/28/47/73/276284773.db2.gz GMQWNRZBXAWMRV-GFCCVEGCSA-N 1 0 312.366 2.517 20 5 DFBDRO C[C@H](CC(N)=O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493155061 429699526 /nfs/dbraw/zinc/69/95/26/429699526.db2.gz VICXJYBIKMZDLE-PXAZEXFGSA-N 1 0 313.357 2.538 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698726 429702904 /nfs/dbraw/zinc/70/29/04/429702904.db2.gz FQYUKFQFODAHRV-GFCCVEGCSA-N 1 0 320.780 2.971 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1C[NH3+] ZINC000430627090 429703530 /nfs/dbraw/zinc/70/35/30/429703530.db2.gz SLWQXGGAOSDEMC-OAHLLOKOSA-N 1 0 307.394 2.695 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[C@H](C)n3ccnc32)c1 ZINC000450828042 429708667 /nfs/dbraw/zinc/70/86/67/429708667.db2.gz JDOFPKXHHUKFPW-CABZTGNLSA-N 1 0 316.317 2.696 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH2+]CC23CCCCC3)c1 ZINC000431087589 429741790 /nfs/dbraw/zinc/74/17/90/429741790.db2.gz QTXSPNSMIYKWGA-UHFFFAOYSA-N 1 0 319.405 2.582 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000451104570 429769316 /nfs/dbraw/zinc/76/93/16/429769316.db2.gz RAIKJXJQOCSDIJ-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000493677436 429807764 /nfs/dbraw/zinc/80/77/64/429807764.db2.gz UQTQDZDQKGSHNK-WAVCKPEOSA-N 1 0 317.389 2.549 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H](n2cccn2)C1 ZINC000368282555 429824370 /nfs/dbraw/zinc/82/43/70/429824370.db2.gz UFZFLXYIYWTGQP-CYBMUJFWSA-N 1 0 306.753 2.892 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451413658 429825158 /nfs/dbraw/zinc/82/51/58/429825158.db2.gz CGPJJJMJPLIWDQ-BZUAXINKSA-N 1 0 320.389 2.729 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1[N+](=O)[O-] ZINC000451495196 429836295 /nfs/dbraw/zinc/83/62/95/429836295.db2.gz SEWCMBMYWDUGOK-WQVCFCJDSA-N 1 0 318.373 2.651 20 5 DFBDRO CCOC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544415 429849138 /nfs/dbraw/zinc/84/91/38/429849138.db2.gz FJSLBDSLTZIDEG-CQSZACIVSA-N 1 0 306.362 2.727 20 5 DFBDRO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547643 429850717 /nfs/dbraw/zinc/85/07/17/429850717.db2.gz LHORIPSNIGVEBJ-HIFRSBDPSA-N 1 0 319.405 2.689 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593410 429859620 /nfs/dbraw/zinc/85/96/20/429859620.db2.gz HVIYUKHNBXFECT-RDJZCZTQSA-N 1 0 324.421 2.982 20 5 DFBDRO CCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000493696373 429812056 /nfs/dbraw/zinc/81/20/56/429812056.db2.gz QZAJLVVPVZNWPX-BOLDSZDNSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000432325079 429814684 /nfs/dbraw/zinc/81/46/84/429814684.db2.gz JNBVSVQWGVLSTQ-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO O=C(CC[C@H]1CCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000494515542 429878042 /nfs/dbraw/zinc/87/80/42/429878042.db2.gz QRSDFNNHODUHRB-OAHLLOKOSA-N 1 0 319.405 2.566 20 5 DFBDRO CCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000368664802 429884107 /nfs/dbraw/zinc/88/41/07/429884107.db2.gz YPWRETXWRXBIRW-HNNXBMFYSA-N 1 0 300.362 2.978 20 5 DFBDRO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000368789697 429894005 /nfs/dbraw/zinc/89/40/05/429894005.db2.gz FCXDHPWWHPFVAX-XJKSGUPXSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000368590770 429872991 /nfs/dbraw/zinc/87/29/91/429872991.db2.gz DXSQCOJOYBSVDA-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO CC[C@@H]1CN(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000494465096 429875739 /nfs/dbraw/zinc/87/57/39/429875739.db2.gz MMMOKJDHBIPHOF-GOEBONIOSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000369378409 429934168 /nfs/dbraw/zinc/93/41/68/429934168.db2.gz ROCXVUPOQQJVNL-UHFFFAOYSA-N 1 0 312.369 2.523 20 5 DFBDRO Cc1ccc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c(C)c1 ZINC000369389780 429937237 /nfs/dbraw/zinc/93/72/37/429937237.db2.gz SKHGDZACRWVUIQ-AWEZNQCLSA-N 1 0 314.389 2.935 20 5 DFBDRO COCC1([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000574061992 430007213 /nfs/dbraw/zinc/00/72/13/430007213.db2.gz BMSMNZLECFGFIO-AWEZNQCLSA-N 1 0 322.405 2.701 20 5 DFBDRO Cc1ccccc1C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000562585574 430150281 /nfs/dbraw/zinc/15/02/81/430150281.db2.gz WMBKJPCHBILEGC-AWEZNQCLSA-N 1 0 302.378 2.663 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535720909 430167689 /nfs/dbraw/zinc/16/76/89/430167689.db2.gz FCPQGZCLOBOPKS-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000581373188 430202262 /nfs/dbraw/zinc/20/22/62/430202262.db2.gz LXDITSDHQDOZNI-LLVKDONJSA-N 1 0 323.393 2.956 20 5 DFBDRO CCCCN(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587630 430221435 /nfs/dbraw/zinc/22/14/35/430221435.db2.gz RAUWNNQICBHGSK-GJZGRUSLSA-N 1 0 323.441 2.597 20 5 DFBDRO COc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000277026777 277381626 /nfs/dbraw/zinc/38/16/26/277381626.db2.gz NPQKEBCTDMMPDE-TZMCWYRMSA-N 1 0 305.378 2.524 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000566482692 430265162 /nfs/dbraw/zinc/26/51/62/430265162.db2.gz PRDIGIJNJSNTRB-OLZOCXBDSA-N 1 0 305.378 2.666 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H](CO)C2CCCCC2)c1 ZINC000543836838 430266529 /nfs/dbraw/zinc/26/65/29/430266529.db2.gz TXBPDKNNDVCONR-INIZCTEOSA-N 1 0 308.378 2.504 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000567179541 430279012 /nfs/dbraw/zinc/27/90/12/430279012.db2.gz JXDISMIOVYDSSJ-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796395 430335193 /nfs/dbraw/zinc/33/51/93/430335193.db2.gz OLNAOFSCGDERKB-KGLIPLIRSA-N 1 0 313.361 2.607 20 5 DFBDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342791 430347834 /nfs/dbraw/zinc/34/78/34/430347834.db2.gz FLAPYKDHOTYDPT-KCQAQPDRSA-N 1 0 319.405 2.639 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000546690213 430364655 /nfs/dbraw/zinc/36/46/55/430364655.db2.gz FKXGARUNLQALIH-CQSZACIVSA-N 1 0 320.389 2.927 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000569320209 430442134 /nfs/dbraw/zinc/44/21/34/430442134.db2.gz ZORXLRIYBZQCJK-CYBMUJFWSA-N 1 0 320.393 2.715 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569378479 430450331 /nfs/dbraw/zinc/45/03/31/430450331.db2.gz SKJLGRZADABZAG-GYSYKLTISA-N 1 0 306.362 2.759 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000548453553 430477958 /nfs/dbraw/zinc/47/79/58/430477958.db2.gz RJBNXAJAOZWUKR-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000570635718 430561416 /nfs/dbraw/zinc/56/14/16/430561416.db2.gz TWAHKAUVMVDZOE-UHFFFAOYSA-N 1 0 319.748 2.868 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570886110 430585063 /nfs/dbraw/zinc/58/50/63/430585063.db2.gz XMYSUMJEWFTBPX-CQSZACIVSA-N 1 0 321.421 2.889 20 5 DFBDRO C[NH+](C)C1(CN[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000570934756 430591021 /nfs/dbraw/zinc/59/10/21/430591021.db2.gz QZOBSYXYLDKNHI-GFCCVEGCSA-N 1 0 317.311 2.882 20 5 DFBDRO CC(C)(NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000571344552 430622040 /nfs/dbraw/zinc/62/20/40/430622040.db2.gz KMAFVORPQXPLAO-UHFFFAOYSA-N 1 0 319.405 2.678 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCOC1 ZINC000572201334 430675527 /nfs/dbraw/zinc/67/55/27/430675527.db2.gz BUWMSCQBGNAYDB-AAEUAGOBSA-N 1 0 303.362 2.633 20 5 DFBDRO COc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364283025 278017191 /nfs/dbraw/zinc/01/71/91/278017191.db2.gz QSLTXWONFMGAQW-MJBXVCDLSA-N 1 0 317.389 2.524 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353549329 278032665 /nfs/dbraw/zinc/03/26/65/278032665.db2.gz PQISDZQKKJBNKD-WFASDCNBSA-N 1 0 319.405 2.931 20 5 DFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000572491328 430689315 /nfs/dbraw/zinc/68/93/15/430689315.db2.gz QHSSGDPEQPXUJG-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710576 278187122 /nfs/dbraw/zinc/18/71/22/278187122.db2.gz LYHHSJZOMMDYSZ-OLZOCXBDSA-N 1 0 306.410 2.702 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000262031615 278313891 /nfs/dbraw/zinc/31/38/91/278313891.db2.gz YYEQUYSOFOBMMR-VXGBXAGGSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000315101254 288034163 /nfs/dbraw/zinc/03/41/63/288034163.db2.gz CMSBMSVFWYLIDX-HGMXIMQMSA-N 1 0 305.378 2.680 20 5 DFBDRO O=C(CC[NH2+]CC1CCSCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573084166 430699639 /nfs/dbraw/zinc/69/96/39/430699639.db2.gz NBSQJHONTXSRIR-UHFFFAOYSA-N 1 0 323.418 2.656 20 5 DFBDRO CCCN(CC[NH+](CC)CC)c1c([N+](=O)[O-])nc(C)n1CC ZINC000361007780 278786194 /nfs/dbraw/zinc/78/61/94/278786194.db2.gz SDOWCWUVSPMOCY-UHFFFAOYSA-N 1 0 311.430 2.678 20 5 DFBDRO C[C@@H]1[NH2+]CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1C ZINC000262867555 279037231 /nfs/dbraw/zinc/03/72/31/279037231.db2.gz URSZIHSVXVFOQJ-UWVGGRQHSA-N 1 0 319.386 2.632 20 5 DFBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278683530 279271496 /nfs/dbraw/zinc/27/14/96/279271496.db2.gz KAIMNAYCBDBBEM-VNBSIWGGSA-N 1 0 310.419 2.719 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000186322169 279305549 /nfs/dbraw/zinc/30/55/49/279305549.db2.gz JQSNVHJSRQQXQR-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000185414418 279305810 /nfs/dbraw/zinc/30/58/10/279305810.db2.gz TVLVIFJEGRZUKR-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO [NH3+]CC12CC(C1)CN2C(=O)c1cc2ccccc2c2cccnc12 ZINC000662677680 431159816 /nfs/dbraw/zinc/15/98/16/431159816.db2.gz PYFBZCZFJQVARW-UHFFFAOYSA-N 1 0 317.392 2.951 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCCc2c1cnn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897405 279538022 /nfs/dbraw/zinc/53/80/22/279538022.db2.gz CTODYAGEIGONFE-HZMBPMFUSA-N 1 0 315.377 2.639 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262888681 279962780 /nfs/dbraw/zinc/96/27/80/279962780.db2.gz OKVXUOKQXRCFFB-AAEUAGOBSA-N 1 0 319.405 2.763 20 5 DFBDRO Cc1c(C(=O)N2CCC[N@@H+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000372398890 280205092 /nfs/dbraw/zinc/20/50/92/280205092.db2.gz XGJZLNPTTCCBMG-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000359096588 280399812 /nfs/dbraw/zinc/39/98/12/280399812.db2.gz PJUBLJAVSNEXAG-ZIAGYGMSSA-N 1 0 304.394 2.670 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292064141 281020259 /nfs/dbraw/zinc/02/02/59/281020259.db2.gz CXUIZOFSPAASLK-PBHICJAKSA-N 1 0 303.406 2.992 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000272502267 281020708 /nfs/dbraw/zinc/02/07/08/281020708.db2.gz NYTNJVIAGGWGNW-UKRRQHHQSA-N 1 0 317.389 2.661 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185418546 281195107 /nfs/dbraw/zinc/19/51/07/281195107.db2.gz URWZWIXDWJLFCT-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000194401801 281258672 /nfs/dbraw/zinc/25/86/72/281258672.db2.gz RUNAKARKJRRUBI-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364884800 281260394 /nfs/dbraw/zinc/26/03/94/281260394.db2.gz GXVBLXLLHOUBOQ-ZNMIVQPWSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174869466 281375832 /nfs/dbraw/zinc/37/58/32/281375832.db2.gz ZDWIZWSXWUVSOS-LSDHHAIUSA-N 1 0 314.389 2.978 20 5 DFBDRO Cc1nc(N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296689991 281975615 /nfs/dbraw/zinc/97/56/15/281975615.db2.gz CRXUMOQFGYUPNR-SWLSCSKDSA-N 1 0 315.377 2.797 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000363355427 289082218 /nfs/dbraw/zinc/08/22/18/289082218.db2.gz JQQLSONVPJYEFU-CQSZACIVSA-N 1 0 318.352 2.675 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363414795 289092327 /nfs/dbraw/zinc/09/23/27/289092327.db2.gz RPEPYALUFCZZRG-DJIMGWMZSA-N 1 0 301.390 2.511 20 5 DFBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000412877184 289109542 /nfs/dbraw/zinc/10/95/42/289109542.db2.gz LTEROSRRNGCXEF-CYBMUJFWSA-N 1 0 305.378 2.542 20 5 DFBDRO C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415691192 289120726 /nfs/dbraw/zinc/12/07/26/289120726.db2.gz FZUOAUVQMWRQJU-GFCCVEGCSA-N 1 0 320.393 2.718 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415700986 289121441 /nfs/dbraw/zinc/12/14/41/289121441.db2.gz NQHPKYFQINTYBI-MFKMUULPSA-N 1 0 320.393 2.846 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415705887 289122202 /nfs/dbraw/zinc/12/22/02/289122202.db2.gz UKVYGAWFNQDREM-NSHDSACASA-N 1 0 320.393 2.623 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415756448 289131291 /nfs/dbraw/zinc/13/12/91/289131291.db2.gz FAYQHYHTEPNFQJ-ABAIWWIYSA-N 1 0 320.393 2.891 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000415761926 289131694 /nfs/dbraw/zinc/13/16/94/289131694.db2.gz MIWSLWCQOFGPBZ-LBPRGKRZSA-N 1 0 320.393 2.621 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353913 290182131 /nfs/dbraw/zinc/18/21/31/290182131.db2.gz GVQMCCFFIILNGM-ZYHUDNBSSA-N 1 0 310.785 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)c(F)c1 ZINC000437973227 297075792 /nfs/dbraw/zinc/07/57/92/297075792.db2.gz GCHPSYZLUMODGS-CQSZACIVSA-N 1 0 304.325 2.595 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000044559561 295246146 /nfs/dbraw/zinc/24/61/46/295246146.db2.gz RNWCFJBSHAVNHZ-JTQLQIEISA-N 1 0 303.284 2.931 20 5 DFBDRO COc1cccc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292290695 295305618 /nfs/dbraw/zinc/30/56/18/295305618.db2.gz MYWSZKJZOYWYEA-CYBMUJFWSA-N 1 0 319.405 2.914 20 5 DFBDRO COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495512937 299934039 /nfs/dbraw/zinc/93/40/39/299934039.db2.gz JXRDNPLOGZEAHD-OCCSQVGLSA-N 1 0 321.377 2.551 20 5 DFBDRO CO[C@@](C)([C@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411942902 295569650 /nfs/dbraw/zinc/56/96/50/295569650.db2.gz IOLODOJUCSHJNQ-LRDDRELGSA-N 1 0 308.378 2.767 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(CCO)CCCCC2)c1 ZINC000440900325 297168120 /nfs/dbraw/zinc/16/81/20/297168120.db2.gz DOBDSYWGHPZYHW-UHFFFAOYSA-N 1 0 308.378 2.649 20 5 DFBDRO CC1(C)C[NH+](CCOc2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000442894619 297210603 /nfs/dbraw/zinc/21/06/03/297210603.db2.gz ZVVWMPGQARBWBC-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750086 297248673 /nfs/dbraw/zinc/24/86/73/297248673.db2.gz XOSUIXKULAOQDC-CABCVRRESA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750087 297248731 /nfs/dbraw/zinc/24/87/31/297248731.db2.gz XOSUIXKULAOQDC-GJZGRUSLSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000444792604 297251832 /nfs/dbraw/zinc/25/18/32/297251832.db2.gz PYAIKOXPZFNQRP-UHFFFAOYSA-N 1 0 303.362 2.860 20 5 DFBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000446829302 297287711 /nfs/dbraw/zinc/28/77/11/297287711.db2.gz GGBVIMOKXNKVDE-ULKVUYOBSA-N 1 0 318.377 2.620 20 5 DFBDRO C[C@@](O)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447579998 297309214 /nfs/dbraw/zinc/30/92/14/297309214.db2.gz MTWXUCDNJIKVLN-QWHCGFSZSA-N 1 0 318.295 2.875 20 5 DFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583722 297309468 /nfs/dbraw/zinc/30/94/68/297309468.db2.gz CLXYHYCMZHAJBF-KBUPBQIOSA-N 1 0 322.409 2.680 20 5 DFBDRO CSCC[C@H](CO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587601 297309647 /nfs/dbraw/zinc/30/96/47/297309647.db2.gz QWYNIXHWVSICCA-IUODEOHRSA-N 1 0 310.419 2.676 20 5 DFBDRO COCCOC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585802 297309670 /nfs/dbraw/zinc/30/96/70/297309670.db2.gz LOHGXLIYIMVTIU-LRDDRELGSA-N 1 0 308.378 2.613 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447594274 297309964 /nfs/dbraw/zinc/30/99/64/297309964.db2.gz XXQDKWFPQOGAAW-IXDOHACOSA-N 1 0 320.389 2.756 20 5 DFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834006 297319468 /nfs/dbraw/zinc/31/94/68/297319468.db2.gz VLNZJVGFWKYOAO-GOEBONIOSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000447834010 297319569 /nfs/dbraw/zinc/31/95/69/297319569.db2.gz VLNZJVGFWKYOAO-ZBFHGGJFSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449587856 297495982 /nfs/dbraw/zinc/49/59/82/297495982.db2.gz PGGRTXJYJIOYTG-UONOGXRCSA-N 1 0 316.405 2.870 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710004 297517146 /nfs/dbraw/zinc/51/71/46/297517146.db2.gz LDUZJTBZUCNLFE-WCQYABFASA-N 1 0 319.405 2.750 20 5 DFBDRO COCC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCCC1 ZINC000449741267 297523756 /nfs/dbraw/zinc/52/37/56/297523756.db2.gz TTZUYECGQYALEY-UHFFFAOYSA-N 1 0 324.377 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2NCC[NH+]1CCSCC1 ZINC000450327760 297612251 /nfs/dbraw/zinc/61/22/51/297612251.db2.gz FFOROTMPZLHKRF-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)n1 ZINC000450884203 297707619 /nfs/dbraw/zinc/70/76/19/297707619.db2.gz RPRLEFRSTDHSRG-LLVKDONJSA-N 1 0 314.336 2.864 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451469335 297810331 /nfs/dbraw/zinc/81/03/31/297810331.db2.gz MCDOTQTYEQQYCP-CFVMTHIKSA-N 1 0 306.362 2.507 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000451850690 297886918 /nfs/dbraw/zinc/88/69/18/297886918.db2.gz XQHGMMNIQSWGAR-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452181638 297942594 /nfs/dbraw/zinc/94/25/94/297942594.db2.gz BZKKAIFYXQCTHQ-WFASDCNBSA-N 1 0 307.394 2.939 20 5 DFBDRO COC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000453216405 298072051 /nfs/dbraw/zinc/07/20/51/298072051.db2.gz DVTSAIGFSQZUMH-KGLIPLIRSA-N 1 0 322.409 2.824 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000453296390 298081227 /nfs/dbraw/zinc/08/12/27/298081227.db2.gz YKCJHBCWRDVOQJ-WFASDCNBSA-N 1 0 307.394 2.748 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000453330589 298083761 /nfs/dbraw/zinc/08/37/61/298083761.db2.gz DSJDNOPZJGREHD-YPMHNXCESA-N 1 0 302.378 2.919 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453444300 298096780 /nfs/dbraw/zinc/09/67/80/298096780.db2.gz OILFGDSULAJABP-VNQPRFMTSA-N 1 0 317.389 2.789 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453444293 298096830 /nfs/dbraw/zinc/09/68/30/298096830.db2.gz OILFGDSULAJABP-CWRNSKLLSA-N 1 0 317.389 2.789 20 5 DFBDRO CCC1C[NH+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000453601895 298103569 /nfs/dbraw/zinc/10/35/69/298103569.db2.gz IKOYFWKEOLESLH-UHFFFAOYSA-N 1 0 300.362 2.837 20 5 DFBDRO CC(C)CN(Cc1cnn(C)c1)Cc1ccccc1[N+](=O)[O-] ZINC000453613883 298105375 /nfs/dbraw/zinc/10/53/75/298105375.db2.gz CFDGZNYMPHGXHE-UHFFFAOYSA-N 1 0 302.378 2.987 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000453636841 298107389 /nfs/dbraw/zinc/10/73/89/298107389.db2.gz ULSJVPDHRGIQHV-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO C[NH+](C)CC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000454214250 298137644 /nfs/dbraw/zinc/13/76/44/298137644.db2.gz MICCONVLCYYJQI-UHFFFAOYSA-N 1 0 314.773 2.710 20 5 DFBDRO CC(C)c1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000457245689 298681689 /nfs/dbraw/zinc/68/16/89/298681689.db2.gz RSUYJYVCXRDZPY-UHFFFAOYSA-N 1 0 307.394 2.788 20 5 DFBDRO CCNC(=O)OC[C@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000496539873 300077102 /nfs/dbraw/zinc/07/71/02/300077102.db2.gz NGTHQXDKKWZQJC-OAHLLOKOSA-N 1 0 321.377 2.695 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000514746931 300269686 /nfs/dbraw/zinc/26/96/86/300269686.db2.gz IETPVQBTZALCGJ-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)Oc1nc(N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000516488476 300344969 /nfs/dbraw/zinc/34/49/69/300344969.db2.gz RQJDEDHUCQLXJS-LBPRGKRZSA-N 1 0 310.398 2.587 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000516958482 300372628 /nfs/dbraw/zinc/37/26/28/300372628.db2.gz BTDSHANORDMIBV-OLZOCXBDSA-N 1 0 318.377 2.570 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000517342739 300393307 /nfs/dbraw/zinc/39/33/07/300393307.db2.gz SHCNNNMBYQYYDK-NSHDSACASA-N 1 0 318.402 2.893 20 5 DFBDRO CC(C)(C)CCC[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000517557064 300399490 /nfs/dbraw/zinc/39/94/90/300399490.db2.gz VZWUPQVUVAVBTL-AWEZNQCLSA-N 1 0 310.394 2.750 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CC1CCCC1)C2 ZINC000530494833 301051414 /nfs/dbraw/zinc/05/14/14/301051414.db2.gz NKVVOVZPDRYDBL-OAHLLOKOSA-N 1 0 304.390 2.894 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CCCC1=O ZINC000531701123 301104715 /nfs/dbraw/zinc/10/47/15/301104715.db2.gz XCULGTZQVOGZNM-OLZOCXBDSA-N 1 0 305.378 2.565 20 5 DFBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000532025172 301125644 /nfs/dbraw/zinc/12/56/44/301125644.db2.gz RILISYUPDKOLSF-QWHCGFSZSA-N 1 0 304.346 2.690 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000532585014 301161228 /nfs/dbraw/zinc/16/12/28/301161228.db2.gz RIVWMNHVUPILAL-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000359096584 301205915 /nfs/dbraw/zinc/20/59/15/301205915.db2.gz PJUBLJAVSNEXAG-UONOGXRCSA-N 1 0 304.394 2.670 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000534751630 301236954 /nfs/dbraw/zinc/23/69/54/301236954.db2.gz KOEXLJJTHUYAGL-NVXWUHKLSA-N 1 0 320.389 2.849 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535316063 301252982 /nfs/dbraw/zinc/25/29/82/301252982.db2.gz SXLJJZRLJNCXLN-OCCSQVGLSA-N 1 0 300.362 2.879 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536536995 301277509 /nfs/dbraw/zinc/27/75/09/301277509.db2.gz WFNAZZABCGLRQK-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000537074658 301293975 /nfs/dbraw/zinc/29/39/75/301293975.db2.gz PFAGDAIMZATLAV-GFCCVEGCSA-N 1 0 305.378 2.694 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000538378685 301320356 /nfs/dbraw/zinc/32/03/56/301320356.db2.gz YHNWROIHXSUBHD-CJNGLKHVSA-N 1 0 324.352 2.945 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000539086249 301337853 /nfs/dbraw/zinc/33/78/53/301337853.db2.gz DPZOTHLIUOOKJJ-IUODEOHRSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000539074378 301337986 /nfs/dbraw/zinc/33/79/86/301337986.db2.gz MRTQGXDNTOYNTH-NWDGAFQWSA-N 1 0 307.394 2.857 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000539445702 301342596 /nfs/dbraw/zinc/34/25/96/301342596.db2.gz CTNHIKYWOYXVCU-MQDFFIGUSA-N 1 0 324.384 2.854 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000540620081 301366378 /nfs/dbraw/zinc/36/63/78/301366378.db2.gz XXRIVDZBTZEBQX-BOTMBNHJSA-N 1 0 316.357 2.642 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000540620084 301366401 /nfs/dbraw/zinc/36/64/01/301366401.db2.gz XXRIVDZBTZEBQX-ZRFDWSJLSA-N 1 0 316.357 2.642 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000541114732 301383123 /nfs/dbraw/zinc/38/31/23/301383123.db2.gz DLQKHRVSDVNUIL-ZDUSSCGKSA-N 1 0 323.393 2.770 20 5 DFBDRO Cc1nnc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000543740125 301436481 /nfs/dbraw/zinc/43/64/81/301436481.db2.gz STYLZFTYTWWXKD-ZDUSSCGKSA-N 1 0 318.402 2.866 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)C2CCCCC2)c(F)c1 ZINC000556811438 301812248 /nfs/dbraw/zinc/81/22/48/301812248.db2.gz WKCAHMRRTROQNN-HNNXBMFYSA-N 1 0 314.332 2.904 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000563417179 302070228 /nfs/dbraw/zinc/07/02/28/302070228.db2.gz JKOVTNREGVYUET-BONVTDFDSA-N 1 0 300.362 2.975 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423669 302070983 /nfs/dbraw/zinc/07/09/83/302070983.db2.gz OGPHRKAZUYWFOE-BBRMVZONSA-N 1 0 303.406 2.902 20 5 DFBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000564666954 302148994 /nfs/dbraw/zinc/14/89/94/302148994.db2.gz HKOWGCPUFRFZBC-UHFFFAOYSA-N 1 0 322.409 2.698 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566781218 302311031 /nfs/dbraw/zinc/31/10/31/302311031.db2.gz KEHACXFJADSPNA-KBPBESRZSA-N 1 0 319.405 2.641 20 5 DFBDRO CC(C)CC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567684062 302379535 /nfs/dbraw/zinc/37/95/35/302379535.db2.gz AVCBWHZRHWSHLH-CQSZACIVSA-N 1 0 324.421 2.996 20 5 DFBDRO CC(C)CC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567684061 302379578 /nfs/dbraw/zinc/37/95/78/302379578.db2.gz AVCBWHZRHWSHLH-AWEZNQCLSA-N 1 0 324.421 2.996 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)C3CCCCC3)nc2c1 ZINC000567700594 302381437 /nfs/dbraw/zinc/38/14/37/302381437.db2.gz MYDWYRIECDGHRF-OAHLLOKOSA-N 1 0 318.377 2.502 20 5 DFBDRO CC1CCC(O)(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000570325320 302567759 /nfs/dbraw/zinc/56/77/59/302567759.db2.gz RNPJWFNVFIQAKG-UHFFFAOYSA-N 1 0 318.377 2.502 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000570563606 302579718 /nfs/dbraw/zinc/57/97/18/302579718.db2.gz KAURRUNHEAFLNH-CQSZACIVSA-N 1 0 319.405 2.734 20 5 DFBDRO CC(C)(C)C1CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571158870 302606502 /nfs/dbraw/zinc/60/65/02/302606502.db2.gz YRSNNDSJIVBGNO-PIMMBPRGSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000573467661 302706669 /nfs/dbraw/zinc/70/66/69/302706669.db2.gz PDTMVNOMCYLLKY-ZDUSSCGKSA-N 1 0 307.369 2.868 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000163513692 315876607 /nfs/dbraw/zinc/87/66/07/315876607.db2.gz XJQLMWJZKWCZSZ-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000181826108 316074542 /nfs/dbraw/zinc/07/45/42/316074542.db2.gz DNALSDBDBWPWHB-STQMWFEESA-N 1 0 307.394 2.715 20 5 DFBDRO CCC[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181997744 316081752 /nfs/dbraw/zinc/08/17/52/316081752.db2.gz VLCZNOZUGQMQKI-CABCVRRESA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000183090309 316129448 /nfs/dbraw/zinc/12/94/48/316129448.db2.gz UCLKNENJFRMQHZ-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@H](CCNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183091575 316130240 /nfs/dbraw/zinc/13/02/40/316130240.db2.gz KWOPQMWGUFTQEQ-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@@H]([C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000185529223 316187853 /nfs/dbraw/zinc/18/78/53/316187853.db2.gz IOOGMXQQHRDDDU-KBPBESRZSA-N 1 0 321.421 2.951 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000314887934 316240695 /nfs/dbraw/zinc/24/06/95/316240695.db2.gz FTIMAMQLBNYEIK-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000318819180 316249804 /nfs/dbraw/zinc/24/98/04/316249804.db2.gz JUDIWERUNSHMLW-CABCVRRESA-N 1 0 308.378 2.767 20 5 DFBDRO Cc1c(-c2noc(CC3CC[NH+](C)CC3)n2)cccc1[N+](=O)[O-] ZINC000351144356 316474773 /nfs/dbraw/zinc/47/47/73/316474773.db2.gz IDOFCJVBPNGDRM-UHFFFAOYSA-N 1 0 316.361 2.838 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CS[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414497240 316610415 /nfs/dbraw/zinc/61/04/15/316610415.db2.gz FOEGJCNRNPRNHP-GXSJLCMTSA-N 1 0 312.391 2.596 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414768004 316648832 /nfs/dbraw/zinc/64/88/32/316648832.db2.gz JXVYHFVSTMHPDJ-IINYFYTJSA-N 1 0 318.402 2.640 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417147692 316673483 /nfs/dbraw/zinc/67/34/83/316673483.db2.gz ZTUMMXLHDRDYNG-WFASDCNBSA-N 1 0 322.409 2.671 20 5 DFBDRO COC1([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421880247 316779393 /nfs/dbraw/zinc/77/93/93/316779393.db2.gz QEODSNFJSSNWKI-OLZOCXBDSA-N 1 0 308.378 2.830 20 5 DFBDRO COC1([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421880249 316779877 /nfs/dbraw/zinc/77/98/77/316779877.db2.gz QEODSNFJSSNWKI-STQMWFEESA-N 1 0 308.378 2.830 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000423950790 316783888 /nfs/dbraw/zinc/78/38/88/316783888.db2.gz ODNBIMYXAXDYIL-OAHLLOKOSA-N 1 0 305.378 2.528 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000446044325 316997933 /nfs/dbraw/zinc/99/79/33/316997933.db2.gz VFLHFUZDNVCOAL-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO CC1(C)CCCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446068487 317001776 /nfs/dbraw/zinc/00/17/76/317001776.db2.gz DBSYHQPFCSTDBE-HNNXBMFYSA-N 1 0 322.405 2.847 20 5 DFBDRO CSc1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449639363 317045953 /nfs/dbraw/zinc/04/59/53/317045953.db2.gz OQAXGSQDWBLWSH-JQWIXIFHSA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCn3ccnc32)cc1 ZINC000453139257 317164847 /nfs/dbraw/zinc/16/48/47/317164847.db2.gz AJJBLBQJJHRJAZ-OAHLLOKOSA-N 1 0 300.362 2.849 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C2CC2)n1 ZINC000453395149 317183024 /nfs/dbraw/zinc/18/30/24/317183024.db2.gz XETVMQWHMGGGOQ-BYNSBNAKSA-N 1 0 304.394 2.911 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453452944 317184661 /nfs/dbraw/zinc/18/46/61/317184661.db2.gz SOFYYSHAJIKUHO-NWANDNLSSA-N 1 0 317.389 2.707 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnc(C)cn1 ZINC000453597520 317192482 /nfs/dbraw/zinc/19/24/82/317192482.db2.gz NWIUEFOGQINKRF-MDWZMJQESA-N 1 0 312.373 2.929 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnc(C)cn1 ZINC000453597518 317192496 /nfs/dbraw/zinc/19/24/96/317192496.db2.gz NWIUEFOGQINKRF-JYRVWZFOSA-N 1 0 312.373 2.929 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491531267 317581134 /nfs/dbraw/zinc/58/11/34/317581134.db2.gz FTHOQZJGEOHUFZ-MDZDMXLPSA-N 1 0 319.405 2.654 20 5 DFBDRO Cc1cc(NC[C@@H]2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000572746790 318002154 /nfs/dbraw/zinc/00/21/54/318002154.db2.gz MLOOWZTTZWUHQS-AAEUAGOBSA-N 1 0 315.373 2.958 20 5 DFBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CC[NH2+]C1 ZINC000572858903 318006147 /nfs/dbraw/zinc/00/61/47/318006147.db2.gz JMCQYKCBLUAQOZ-LBPRGKRZSA-N 1 0 304.375 2.516 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574614860 318027903 /nfs/dbraw/zinc/02/79/03/318027903.db2.gz UBXKAMSVFGVPEQ-UONOGXRCSA-N 1 0 321.421 2.935 20 5 DFBDRO CC[C@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000574631541 318029440 /nfs/dbraw/zinc/02/94/40/318029440.db2.gz LLZDYXGRCQMQMG-DZKIICNBSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000575106453 318063398 /nfs/dbraw/zinc/06/33/98/318063398.db2.gz SBTAODWKWGTRLF-BETUJISGSA-N 1 0 318.377 2.570 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000575764703 318082533 /nfs/dbraw/zinc/08/25/33/318082533.db2.gz ORFRFGGTSVXUSU-CZUORRHYSA-N 1 0 319.405 2.639 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575974487 318095172 /nfs/dbraw/zinc/09/51/72/318095172.db2.gz JUMKEAJHHSOXDB-ZWNOBZJWSA-N 1 0 300.362 2.625 20 5 DFBDRO C[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000576358478 318121153 /nfs/dbraw/zinc/12/11/53/318121153.db2.gz MNWMXELYZQMOQF-CYBMUJFWSA-N 1 0 319.405 2.689 20 5 DFBDRO CCOc1cc(N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000576809337 318151564 /nfs/dbraw/zinc/15/15/64/318151564.db2.gz QMUVNEPXYPZFAT-INIZCTEOSA-N 1 0 305.378 2.573 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC1(C)C ZINC000578451155 318261868 /nfs/dbraw/zinc/26/18/68/318261868.db2.gz XBWCWCICWUPSOI-AWEZNQCLSA-N 1 0 321.377 2.710 20 5 DFBDRO COc1ccc(-c2ccc(CN(C)CCC[NH3+])o2)c([N+](=O)[O-])c1 ZINC000578506733 318265642 /nfs/dbraw/zinc/26/56/42/318265642.db2.gz XIRKIUMZWLOEBL-UHFFFAOYSA-N 1 0 319.361 2.644 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC1(C)C ZINC000578879053 318292216 /nfs/dbraw/zinc/29/22/16/318292216.db2.gz LFNSUDXPIFZLBZ-AWEZNQCLSA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1cnc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000579182439 318311738 /nfs/dbraw/zinc/31/17/38/318311738.db2.gz PUHQVMXLWNTFIR-NEPJUHHUSA-N 1 0 321.406 2.830 20 5 DFBDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579795834 318353849 /nfs/dbraw/zinc/35/38/49/318353849.db2.gz SIXJDEJJZWWUMJ-QLFBSQMISA-N 1 0 324.425 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000194005813 323261392 /nfs/dbraw/zinc/26/13/92/323261392.db2.gz RTIUGPQKPNOFMO-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000382435842 323298580 /nfs/dbraw/zinc/29/85/80/323298580.db2.gz VNZYYQSRMJWDOD-WPRPVWTQSA-N 1 0 314.183 2.897 20 5 DFBDRO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000387531194 323325070 /nfs/dbraw/zinc/32/50/70/323325070.db2.gz JZIRBHPVYOQGHT-MRVPVSSYSA-N 1 0 302.172 2.767 20 5 DFBDRO Cc1cc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000581938117 323591998 /nfs/dbraw/zinc/59/19/98/323591998.db2.gz JRYSPXSLRIBTPD-ZDUSSCGKSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582324552 323652144 /nfs/dbraw/zinc/65/21/44/323652144.db2.gz YBPRHSWQDQLIMZ-XHDPSFHLSA-N 1 0 303.362 2.633 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000584182447 331858500 /nfs/dbraw/zinc/85/85/00/331858500.db2.gz AUHSFOWTMMWNHH-NUTKFTJISA-N 1 0 318.373 2.510 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000584467359 337347328 /nfs/dbraw/zinc/34/73/28/337347328.db2.gz IVNDKAWHUREIQO-HOCLYGCPSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]C3)CC2)c2ncccc12 ZINC000584581081 337366839 /nfs/dbraw/zinc/36/68/39/337366839.db2.gz NSHGOYHUNRYJDO-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000423656384 337726310 /nfs/dbraw/zinc/72/63/10/337726310.db2.gz WWTKIUNJMNUCCH-PXAZEXFGSA-N 1 0 305.381 2.950 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H](C)[NH2+]1 ZINC000053711852 500905159 /nfs/dbraw/zinc/90/51/59/500905159.db2.gz GRUMJFVUIUOFNN-DTORHVGOSA-N 1 0 303.284 2.800 20 5 DFBDRO C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000302023785 534089302 /nfs/dbraw/zinc/08/93/02/534089302.db2.gz GVBXSIWECPDMID-ZDUSSCGKSA-N 1 0 307.394 2.621 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000332523770 534317020 /nfs/dbraw/zinc/31/70/20/534317020.db2.gz QVXYKOJLJCJTGH-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000361154780 534537473 /nfs/dbraw/zinc/53/74/73/534537473.db2.gz NPQYXYOGASLQCH-ZDUSSCGKSA-N 1 0 319.405 2.640 20 5 DFBDRO CCOc1cccc(N2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000364913974 521384653 /nfs/dbraw/zinc/38/46/53/521384653.db2.gz FFCARJMXFQRCIM-OCCSQVGLSA-N 1 0 305.378 2.524 20 5 DFBDRO [NH3+]CCC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000320224367 534620728 /nfs/dbraw/zinc/62/07/28/534620728.db2.gz TWFDSLVWGAZINO-CYBMUJFWSA-N 1 0 319.386 2.866 20 5 DFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000315894868 534659406 /nfs/dbraw/zinc/65/94/06/534659406.db2.gz ADIHNELXLJTESD-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369149 523829106 /nfs/dbraw/zinc/82/91/06/523829106.db2.gz IILNBVHTTGZNDL-HUUCEWRRSA-N 1 0 321.421 2.665 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC([NH+]2CCCCC2)CC1 ZINC000299201958 534751374 /nfs/dbraw/zinc/75/13/74/534751374.db2.gz WKOVZPYIYVKHLF-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO C[C@H]1[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368831669 525003548 /nfs/dbraw/zinc/00/35/48/525003548.db2.gz BCIQFAKGCKNQKG-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[NH+](CC3CC3)CC2)c1 ZINC000295641804 534884639 /nfs/dbraw/zinc/88/46/39/534884639.db2.gz YLBJANGWESGCOT-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO CSc1ccc(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000364802368 525953297 /nfs/dbraw/zinc/95/32/97/525953297.db2.gz PVFQUTXAYVNENR-GFCCVEGCSA-N 1 0 323.418 2.531 20 5 DFBDRO CC(C)[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000171453862 534904078 /nfs/dbraw/zinc/90/40/78/534904078.db2.gz HOCUBSKWZWTPGO-MRXNPFEDSA-N 1 0 319.405 2.722 20 5 DFBDRO O=C(CC[N@@H+]1C[C@H]2CC[C@@H]1C2)Nc1cc([N+](=O)[O-])ccc1F ZINC000128344143 526495840 /nfs/dbraw/zinc/49/58/40/526495840.db2.gz MWWSEGZZHDVSNR-WDEREUQCSA-N 1 0 307.325 2.547 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330700182 526671312 /nfs/dbraw/zinc/67/13/12/526671312.db2.gz GQKRDNLVDMNLCS-HZPDHXFCSA-N 1 0 306.406 2.866 20 5 DFBDRO CC(=O)c1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000295902717 527216215 /nfs/dbraw/zinc/21/62/15/527216215.db2.gz FFJFRYCMNSOXNZ-AGUYFDCRSA-N 1 0 303.362 2.835 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090910 527460822 /nfs/dbraw/zinc/46/08/22/527460822.db2.gz TVNYBGKESNEXAH-GFCCVEGCSA-N 1 0 320.780 2.971 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090913 527471553 /nfs/dbraw/zinc/47/15/53/527471553.db2.gz TVNYBGKESNEXAH-LBPRGKRZSA-N 1 0 320.780 2.971 20 5 DFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294533183 527713194 /nfs/dbraw/zinc/71/31/94/527713194.db2.gz ABGLZQDGJFUACZ-NHYWBVRUSA-N 1 0 309.410 2.871 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330938387 527749074 /nfs/dbraw/zinc/74/90/74/527749074.db2.gz BRDWTOXQMAUUBZ-IUODEOHRSA-N 1 0 320.393 2.931 20 5 DFBDRO CCOc1cc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301966469 528307858 /nfs/dbraw/zinc/30/78/58/528307858.db2.gz VOXZKARNAXCJMR-JSGCOSHPSA-N 1 0 307.394 2.912 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000324358841 528833279 /nfs/dbraw/zinc/83/32/79/528833279.db2.gz HJIZUGSPZPVEBT-NSHDSACASA-N 1 0 320.393 2.620 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295037167 529180068 /nfs/dbraw/zinc/18/00/68/529180068.db2.gz SJSRRCHJKFBNHQ-IUODEOHRSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331745855 529337616 /nfs/dbraw/zinc/33/76/16/529337616.db2.gz YPYDHVCGYUZPHY-TZMCWYRMSA-N 1 0 317.389 2.747 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000317897956 529356828 /nfs/dbraw/zinc/35/68/28/529356828.db2.gz XBBYIVIVGUJBEB-GFCCVEGCSA-N 1 0 305.378 2.718 20 5 DFBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245409045 536164340 /nfs/dbraw/zinc/16/43/40/536164340.db2.gz KGEJLBLUCIZIBN-WFASDCNBSA-N 1 0 319.405 2.712 20 5 DFBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000245409044 536164866 /nfs/dbraw/zinc/16/48/66/536164866.db2.gz KGEJLBLUCIZIBN-SWLSCSKDSA-N 1 0 319.405 2.712 20 5 DFBDRO 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 ZINC000286534413 219041044 /nfs/dbraw/zinc/04/10/44/219041044.db2.gz NXBPNHHFKTWEQI-SCYJSFNGSA-N 1 0 306.337 2.589 20 5 DFBDRO Cc1c(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000459248560 299066536 /nfs/dbraw/zinc/06/65/36/299066536.db2.gz DNFFDEBHGXCRSJ-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000076682237 185031763 /nfs/dbraw/zinc/03/17/63/185031763.db2.gz RVRBGUCDVIAIAI-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO CCC[NH+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413024936 295669069 /nfs/dbraw/zinc/66/90/69/295669069.db2.gz OOBFOVHCUDWYIE-UHFFFAOYSA-N 1 0 318.299 2.541 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CCO)c2ccccc2)cc1F ZINC000278548929 214229495 /nfs/dbraw/zinc/22/94/95/214229495.db2.gz HCADTKHLGNKDQU-OAHLLOKOSA-N 1 0 304.321 2.947 20 5 DFBDRO CC(C)(C)[C@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000278550480 214230356 /nfs/dbraw/zinc/23/03/56/214230356.db2.gz AWGSFFMVFXUYCX-AWEZNQCLSA-N 1 0 319.361 2.746 20 5 DFBDRO CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000078997748 185143396 /nfs/dbraw/zinc/14/33/96/185143396.db2.gz RJIOUWHHXOFYDI-STQMWFEESA-N 1 0 307.394 2.811 20 5 DFBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000078997758 185143628 /nfs/dbraw/zinc/14/36/28/185143628.db2.gz RJIOUWHHXOFYDI-CHWSQXEVSA-N 1 0 307.394 2.811 20 5 DFBDRO COc1cc(C[N@H+](CCO)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000305829151 231070298 /nfs/dbraw/zinc/07/02/98/231070298.db2.gz NOASOECSPBTPCV-UHFFFAOYSA-N 1 0 316.357 2.598 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000317351642 231160705 /nfs/dbraw/zinc/16/07/05/231160705.db2.gz YYQJTMLOQFDOBF-QWRGUYRKSA-N 1 0 306.322 2.542 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000322601534 231211483 /nfs/dbraw/zinc/21/14/83/231211483.db2.gz MVOVPMZRSZLTME-LZWOXQAQSA-N 1 0 320.389 2.729 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c2cccnc21 ZINC000413134172 295679057 /nfs/dbraw/zinc/67/90/57/295679057.db2.gz IHAGBUQUEYMGSJ-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1noc(CCC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000278871617 214460163 /nfs/dbraw/zinc/46/01/63/214460163.db2.gz XDFJCPFSKQGQJL-HNNXBMFYSA-N 1 0 316.361 2.886 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596187295 398351588 /nfs/dbraw/zinc/35/15/88/398351588.db2.gz YZWWGOGVKSOFTD-GFCCVEGCSA-N 1 0 316.361 2.628 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC(C)C ZINC000065962719 398353093 /nfs/dbraw/zinc/35/30/93/398353093.db2.gz BYMJFPIVPJLCCM-LLVKDONJSA-N 1 0 309.366 2.518 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962050 398353291 /nfs/dbraw/zinc/35/32/91/398353291.db2.gz WDSFDQZEGYCTIU-NSHDSACASA-N 1 0 309.366 2.518 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066203126 398362844 /nfs/dbraw/zinc/36/28/44/398362844.db2.gz MYVOYRNMFQKFLO-NSHDSACASA-N 1 0 308.382 2.755 20 5 DFBDRO C[N@@H+]1C[C@@H](CNc2ncccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000591985089 398367714 /nfs/dbraw/zinc/36/77/14/398367714.db2.gz CUDGBXUPLYQGEL-CABCVRRESA-N 1 0 312.373 2.747 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@H]1CCC[NH2+]1 ZINC000087834846 185232829 /nfs/dbraw/zinc/23/28/29/185232829.db2.gz IQTXNXQUTUYSJR-SECBINFHSA-N 1 0 300.156 2.521 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000272843140 210239708 /nfs/dbraw/zinc/23/97/08/210239708.db2.gz UCBCEPINVYZJIP-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1cccc(N2CCC([N@@H+]3CCCOCC3)CC2)c1[N+](=O)[O-] ZINC000596267872 398372026 /nfs/dbraw/zinc/37/20/26/398372026.db2.gz AQOPWVKTALFXLJ-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CCOc1cc(N2CCC[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000596268887 398373036 /nfs/dbraw/zinc/37/30/36/398373036.db2.gz MXWIYPIDAWCOEQ-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000295000171 529664600 /nfs/dbraw/zinc/66/46/00/529664600.db2.gz IJEQMUZYEQWKJF-OSMZGAPFSA-N 1 0 316.348 2.910 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596307784 398381958 /nfs/dbraw/zinc/38/19/58/398381958.db2.gz OYZJHVJRYLHGNR-SNVBAGLBSA-N 1 0 323.422 2.836 20 5 DFBDRO CC[C@H]1CN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1O ZINC000272832089 210231833 /nfs/dbraw/zinc/23/18/33/210231833.db2.gz LGQDRPKLGTUTNM-ZBEGNZNMSA-N 1 0 301.346 2.659 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000090473527 185298392 /nfs/dbraw/zinc/29/83/92/185298392.db2.gz YESDHORJUSNRKW-UHFFFAOYSA-N 1 0 300.362 2.704 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000245400305 398383938 /nfs/dbraw/zinc/38/39/38/398383938.db2.gz XWAVLQMULFMHIA-STQMWFEESA-N 1 0 305.378 2.633 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596335733 398389345 /nfs/dbraw/zinc/38/93/45/398389345.db2.gz HRTMLMHSGGIHIK-LLVKDONJSA-N 1 0 315.377 2.823 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245885227 398388751 /nfs/dbraw/zinc/38/87/51/398388751.db2.gz OQDRUNDEJFACMM-UICACZKSSA-N 1 0 322.405 2.749 20 5 DFBDRO CCOCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592131017 398389637 /nfs/dbraw/zinc/38/96/37/398389637.db2.gz PSNXZRQDGYVCIL-WKILWMFISA-N 1 0 322.405 2.737 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)c2ccccc2F)cc1 ZINC000592162325 398394395 /nfs/dbraw/zinc/39/43/95/398394395.db2.gz WJHCFWNNHCSMTD-KRWDZBQOSA-N 1 0 318.348 2.990 20 5 DFBDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000170856133 282263648 /nfs/dbraw/zinc/26/36/48/282263648.db2.gz LYGJWJXCKOGTKE-ZDUSSCGKSA-N 1 0 319.405 2.668 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000066796534 398399366 /nfs/dbraw/zinc/39/93/66/398399366.db2.gz JFNCICZCFVUMSB-CQSZACIVSA-N 1 0 300.362 2.575 20 5 DFBDRO Cc1cc(N2CC[C@H]([C@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272808329 210210428 /nfs/dbraw/zinc/21/04/28/210210428.db2.gz GHXQKRWLRFJWEX-RYUDHWBXSA-N 1 0 301.346 2.659 20 5 DFBDRO CCc1nn(C)c(N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000301988607 529767692 /nfs/dbraw/zinc/76/76/92/529767692.db2.gz NTHQDWAPWNOBRT-XQQFMLRXSA-N 1 0 323.441 2.669 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254084 398408412 /nfs/dbraw/zinc/40/84/12/398408412.db2.gz SSXQTXXPWPAHEH-NWDGAFQWSA-N 1 0 323.418 2.508 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C)([NH3+])CC1 ZINC000592330751 398412712 /nfs/dbraw/zinc/41/27/12/398412712.db2.gz CMQRKSKBPBKMIK-UHFFFAOYSA-N 1 0 323.418 2.660 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592332307 398413123 /nfs/dbraw/zinc/41/31/23/398413123.db2.gz WAMPXGOLVAGUME-MFKMUULPSA-N 1 0 323.418 2.516 20 5 DFBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000596453372 398416567 /nfs/dbraw/zinc/41/65/67/398416567.db2.gz KPDRYRBNHIXHMB-UHFFFAOYSA-N 1 0 312.373 2.655 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000067024027 398413239 /nfs/dbraw/zinc/41/32/39/398413239.db2.gz HLNLFLVKQMDVGK-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)Oc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1[N+](=O)[O-] ZINC000592356109 398414803 /nfs/dbraw/zinc/41/48/03/398414803.db2.gz SXBKSUTWYKLLGJ-NSHDSACASA-N 1 0 318.333 2.857 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000592357247 398415709 /nfs/dbraw/zinc/41/57/09/398415709.db2.gz YGIJOKYSTZYOIG-SNVBAGLBSA-N 1 0 310.260 2.542 20 5 DFBDRO CSc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357086 398415783 /nfs/dbraw/zinc/41/57/83/398415783.db2.gz STYBPCFNVFMVBO-VIFPVBQESA-N 1 0 306.347 2.791 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCS[C@@H]1C ZINC000592397967 398420823 /nfs/dbraw/zinc/42/08/23/398420823.db2.gz HAFXAZLTIJDKSM-JTNHKYCSSA-N 1 0 323.418 2.796 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000592396074 398420983 /nfs/dbraw/zinc/42/09/83/398420983.db2.gz GLDYHUPBFLJMOL-CXAGYDPISA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)ccc1[N+](=O)[O-] ZINC000592425615 398424344 /nfs/dbraw/zinc/42/43/44/398424344.db2.gz GAMBPPZMCUFESS-AWEZNQCLSA-N 1 0 318.377 2.699 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426347 398424484 /nfs/dbraw/zinc/42/44/84/398424484.db2.gz WPAGAOIRMUPKRH-WBVHZDCISA-N 1 0 303.406 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000067164332 398421495 /nfs/dbraw/zinc/42/14/95/398421495.db2.gz IVYOIHJOGUOFKG-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[N@H+](CCSC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000592528683 398442729 /nfs/dbraw/zinc/44/27/29/398442729.db2.gz DAGWWBNLGKHGOA-UHFFFAOYSA-N 1 0 314.407 2.797 20 5 DFBDRO CC[N@H+](CCSC)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000592528797 398443737 /nfs/dbraw/zinc/44/37/37/398443737.db2.gz HECSZCKIHAOBCD-UHFFFAOYSA-N 1 0 312.391 2.551 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOCC3CCCC3)CC2)n1 ZINC000459434323 299104898 /nfs/dbraw/zinc/10/48/98/299104898.db2.gz UKNLTDPPWDIWPZ-UHFFFAOYSA-N 1 0 322.409 2.635 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H]([C@@H]2CNC(=O)C2)C1 ZINC000585786332 398446904 /nfs/dbraw/zinc/44/69/04/398446904.db2.gz OUSWREKYITUXNO-SNPRPXQTSA-N 1 0 317.389 2.504 20 5 DFBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCn1cc(Cl)cn1 ZINC000459441275 299107801 /nfs/dbraw/zinc/10/78/01/299107801.db2.gz NNPYPDSRCARESQ-UHFFFAOYSA-N 1 0 308.769 2.619 20 5 DFBDRO C[C@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273070028 398449747 /nfs/dbraw/zinc/44/97/47/398449747.db2.gz OEPVGOVPINUHCA-IRXDYDNUSA-N 1 0 320.389 2.911 20 5 DFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000272012414 398449401 /nfs/dbraw/zinc/44/94/01/398449401.db2.gz KQQXLKSMXRVTPC-KRWDZBQOSA-N 1 0 322.405 2.991 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000026219096 398450513 /nfs/dbraw/zinc/45/05/13/398450513.db2.gz QGFRINZMMOLKCF-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1cc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000459473210 299115311 /nfs/dbraw/zinc/11/53/11/299115311.db2.gz BCDYVSSINGOKPK-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1cccnc1[N+](=O)[O-] ZINC000588083386 398480854 /nfs/dbraw/zinc/48/08/54/398480854.db2.gz GCYMWCGAKBVDOP-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCC2CCCC2)CC1 ZINC000459500398 299122525 /nfs/dbraw/zinc/12/25/25/299122525.db2.gz BQFNKZUAIVSAGA-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO CC[C@H](NC(=O)N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000090553145 398489384 /nfs/dbraw/zinc/48/93/84/398489384.db2.gz YVTRDMBMDKYAMM-WFASDCNBSA-N 1 0 322.409 2.685 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538678 398489517 /nfs/dbraw/zinc/48/95/17/398489517.db2.gz KRSURDUGBIYILO-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccsc1 ZINC000029620866 398488757 /nfs/dbraw/zinc/48/87/57/398488757.db2.gz PSTVEVUHRUNKHL-GFCCVEGCSA-N 1 0 323.422 2.885 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000331019594 232350068 /nfs/dbraw/zinc/35/00/68/232350068.db2.gz WSPWCWQJBVOZHH-NSHDSACASA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCc2ccccc2)c(F)c1 ZINC000304474005 398504192 /nfs/dbraw/zinc/50/41/92/398504192.db2.gz FYKTTYSYTIAFQQ-UHFFFAOYSA-N 1 0 318.348 2.771 20 5 DFBDRO CC(=O)N(C)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068576863 398514767 /nfs/dbraw/zinc/51/47/67/398514767.db2.gz GJIUCCGVPIFYFC-GFCCVEGCSA-N 1 0 305.378 2.599 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CCC1(F)CCC1)OCCO2 ZINC000588928870 398517922 /nfs/dbraw/zinc/51/79/22/398517922.db2.gz UNJMYHHZMMMOQO-UHFFFAOYSA-N 1 0 310.325 2.738 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000596867057 398518253 /nfs/dbraw/zinc/51/82/53/398518253.db2.gz PDWKKXXQNWSNDM-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1nccn1C ZINC000588959296 398519464 /nfs/dbraw/zinc/51/94/64/398519464.db2.gz XEMJTYVIDIKHGD-NSHDSACASA-N 1 0 313.361 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000091453603 398529649 /nfs/dbraw/zinc/52/96/49/398529649.db2.gz INTQZDUJZQMXAM-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO Cc1c(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000589161956 398531152 /nfs/dbraw/zinc/53/11/52/398531152.db2.gz CCHZUVNHILLSEL-STQMWFEESA-N 1 0 320.311 2.941 20 5 DFBDRO [NH3+]CCC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000317280976 398534394 /nfs/dbraw/zinc/53/43/94/398534394.db2.gz PKDIYJFDEPCJFW-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO COc1ccc(C[NH2+]CC2(CO)CCCCC2)cc1[N+](=O)[O-] ZINC000317333179 398535599 /nfs/dbraw/zinc/53/55/99/398535599.db2.gz PQEXVKRTFUBLOG-UHFFFAOYSA-N 1 0 308.378 2.636 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnccn1 ZINC000272629726 210032969 /nfs/dbraw/zinc/03/29/69/210032969.db2.gz MYSQHLIXHSVCOW-JTQLQIEISA-N 1 0 306.753 2.932 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000032730336 398536355 /nfs/dbraw/zinc/53/63/55/398536355.db2.gz IZJDYDOSOCDTGC-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO COc1cccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000318857814 398539906 /nfs/dbraw/zinc/53/99/06/398539906.db2.gz DXDRAISEBJHOMU-UHFFFAOYSA-N 1 0 300.358 2.978 20 5 DFBDRO O=[N+]([O-])c1ccc(CN(Cc2cnn3c2CCC3)C2CC2)cc1 ZINC000596979251 398539431 /nfs/dbraw/zinc/53/94/31/398539431.db2.gz JDVIZRNGEHRMLQ-UHFFFAOYSA-N 1 0 312.373 2.902 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC(CCO)C3)o2)cc1 ZINC000459599017 299144567 /nfs/dbraw/zinc/14/45/67/299144567.db2.gz XXDQRTZACNAPCF-UHFFFAOYSA-N 1 0 302.330 2.669 20 5 DFBDRO CCOc1cc(C[NH+]2CCC([C@@H](C)CO)CC2)ccc1[N+](=O)[O-] ZINC000593080743 398539478 /nfs/dbraw/zinc/53/94/78/398539478.db2.gz CWWMBHOJSUKMSU-ZDUSSCGKSA-N 1 0 322.405 2.834 20 5 DFBDRO C[C@@H](CO)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000593083647 398540772 /nfs/dbraw/zinc/54/07/72/398540772.db2.gz KICHEVPQRWGAGV-NSHDSACASA-N 1 0 319.361 2.576 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000319009525 398540840 /nfs/dbraw/zinc/54/08/40/398540840.db2.gz SURYXUQKUOFLHS-UHFFFAOYSA-N 1 0 303.366 2.680 20 5 DFBDRO C[N@H+](CCCNc1ccc(N)c([N+](=O)[O-])n1)C1CCCCC1 ZINC000320168263 398545720 /nfs/dbraw/zinc/54/57/20/398545720.db2.gz NYIRIVHCJWFJRJ-UHFFFAOYSA-N 1 0 307.398 2.639 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000589371606 398549295 /nfs/dbraw/zinc/54/92/95/398549295.db2.gz PAIQOUCKTJOGCY-XHDPSFHLSA-N 1 0 320.393 2.619 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593132313 398554195 /nfs/dbraw/zinc/55/41/95/398554195.db2.gz PITRLXDOQBWZFK-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCS[C@@H](C)CC2)c1 ZINC000589513053 398558654 /nfs/dbraw/zinc/55/86/54/398558654.db2.gz ZXQBIDIKWDAFNA-NSHDSACASA-N 1 0 324.402 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2c1 ZINC000323988517 398561453 /nfs/dbraw/zinc/56/14/53/398561453.db2.gz KEYXVXOPRKKQRW-OKILXGFUSA-N 1 0 312.373 2.579 20 5 DFBDRO C[C@@H](CSCCF)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597117032 398569302 /nfs/dbraw/zinc/56/93/02/398569302.db2.gz LPFUFGWGEHUWQM-VIFPVBQESA-N 1 0 312.370 2.652 20 5 DFBDRO Cc1ccc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593209500 398572086 /nfs/dbraw/zinc/57/20/86/398572086.db2.gz STRXWQNRCAXBLE-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO C[N@H+](CCCNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000069499815 398573049 /nfs/dbraw/zinc/57/30/49/398573049.db2.gz WXAGKSNUTRYPMA-UHFFFAOYSA-N 1 0 319.405 2.979 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593232255 398576935 /nfs/dbraw/zinc/57/69/35/398576935.db2.gz LCDUXWXRGVUCNI-VBQJREDUSA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593230481 398576235 /nfs/dbraw/zinc/57/62/35/398576235.db2.gz BGYASOVOJHGSED-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593234401 398577318 /nfs/dbraw/zinc/57/73/18/398577318.db2.gz XLJNIOPPKQUIBF-SQWLQELKSA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@@H]1CCC[NH2+]C1 ZINC000593233828 398577521 /nfs/dbraw/zinc/57/75/21/398577521.db2.gz XWGWYGXXRFTZHP-NWDGAFQWSA-N 1 0 300.362 2.943 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000459659492 299157822 /nfs/dbraw/zinc/15/78/22/299157822.db2.gz KEBWAQSYTQFQLW-UHFFFAOYSA-N 1 0 302.378 2.784 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000183481191 199601813 /nfs/dbraw/zinc/60/18/13/199601813.db2.gz IZSASHWNFVKRDA-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000589939136 398584182 /nfs/dbraw/zinc/58/41/82/398584182.db2.gz UBOJQGDPTBJQEL-CMPLNLGQSA-N 1 0 304.268 2.530 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000092612299 398587607 /nfs/dbraw/zinc/58/76/07/398587607.db2.gz GZRHYRQTOXTAKY-GFCCVEGCSA-N 1 0 323.368 2.807 20 5 DFBDRO COC(=O)[C@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000597243285 398604697 /nfs/dbraw/zinc/60/46/97/398604697.db2.gz FZDDPVDBCPAHIC-LQGRVKISSA-N 1 0 304.346 2.539 20 5 DFBDRO Cc1ccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000043114882 398612770 /nfs/dbraw/zinc/61/27/70/398612770.db2.gz ULAWQTJNPXTUNL-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072698132 398630845 /nfs/dbraw/zinc/63/08/45/398630845.db2.gz OYWIBCPDLGKCGK-TZMCWYRMSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000152557886 186085239 /nfs/dbraw/zinc/08/52/39/186085239.db2.gz BDAAPEZMKYHPCM-LBPRGKRZSA-N 1 0 309.410 2.984 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593463167 398635574 /nfs/dbraw/zinc/63/55/74/398635574.db2.gz OGHYCUHUWJKYLB-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccnc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000593472754 398640069 /nfs/dbraw/zinc/64/00/69/398640069.db2.gz JSXFLEDUIUKVBT-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H](C)[N@H+]1C ZINC000593476167 398640226 /nfs/dbraw/zinc/64/02/26/398640226.db2.gz SBXCUZAJHYGYRY-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414659891 295812858 /nfs/dbraw/zinc/81/28/58/295812858.db2.gz NNSIFPSYADRZSC-DGCLKSJQSA-N 1 0 306.366 2.542 20 5 DFBDRO [NH3+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000044531880 398646950 /nfs/dbraw/zinc/64/69/50/398646950.db2.gz FAEISRYGDOISSQ-SECBINFHSA-N 1 0 303.284 2.789 20 5 DFBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191826691 186259976 /nfs/dbraw/zinc/25/99/76/186259976.db2.gz UKHWJPXRMZFWEM-UKRRQHHQSA-N 1 0 307.394 2.705 20 5 DFBDRO C[C@H](CCCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000292039252 222800028 /nfs/dbraw/zinc/80/00/28/222800028.db2.gz HZHWRQWZPBDGOU-SNVBAGLBSA-N 1 0 305.334 2.588 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH3+])CCCCC1 ZINC000414838459 295824494 /nfs/dbraw/zinc/82/44/94/295824494.db2.gz IDSNMBHPCGAAPE-UHFFFAOYSA-N 1 0 307.394 2.745 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CCC[NH2+]3)o2)cc1 ZINC000414852111 295826144 /nfs/dbraw/zinc/82/61/44/295826144.db2.gz VLUKVTDUKOXTEL-ZDUSSCGKSA-N 1 0 301.346 2.696 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCCOC3)cs2)c1 ZINC000172120035 198042093 /nfs/dbraw/zinc/04/20/93/198042093.db2.gz YMVLHPCLOUTWEJ-LBPRGKRZSA-N 1 0 319.386 2.987 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416334 198094086 /nfs/dbraw/zinc/09/40/86/198094086.db2.gz UQSOOTSRDAIIGB-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172415387 198094104 /nfs/dbraw/zinc/09/41/04/198094104.db2.gz ZJNGGIYNVODKBJ-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000590751605 398665767 /nfs/dbraw/zinc/66/57/67/398665767.db2.gz FBSCYYYLJCZRSQ-LNSITVRQSA-N 1 0 306.362 2.896 20 5 DFBDRO Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000593694782 398672038 /nfs/dbraw/zinc/67/20/38/398672038.db2.gz SFUYJAFNNJERLS-GFCCVEGCSA-N 1 0 319.386 2.522 20 5 DFBDRO Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172839198 198156149 /nfs/dbraw/zinc/15/61/49/198156149.db2.gz DEESFYHXQZONHK-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718887 398676292 /nfs/dbraw/zinc/67/62/92/398676292.db2.gz AGGFBLNTCOLQQV-JKSUJKDBSA-N 1 0 308.378 2.567 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000172773083 198147892 /nfs/dbraw/zinc/14/78/92/198147892.db2.gz VEXYIBWNMAYNDH-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO CC(C)c1ccc(CN[C@H]2C[NH2+]CCC2(F)F)cc1[N+](=O)[O-] ZINC000414994472 295844946 /nfs/dbraw/zinc/84/49/46/295844946.db2.gz DKFXQKXEFSOFBN-AWEZNQCLSA-N 1 0 313.348 2.805 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727671 398677797 /nfs/dbraw/zinc/67/77/97/398677797.db2.gz PRTZOMWHEIXTSH-KGLIPLIRSA-N 1 0 319.405 2.512 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000280135754 215403191 /nfs/dbraw/zinc/40/31/91/215403191.db2.gz CQYIXIHYHONRFB-MRXNPFEDSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593764124 398683614 /nfs/dbraw/zinc/68/36/14/398683614.db2.gz WNNWUZXRBZMNCI-UHFFFAOYSA-N 1 0 320.393 2.723 20 5 DFBDRO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CCCCC1 ZINC000593786046 398687103 /nfs/dbraw/zinc/68/71/03/398687103.db2.gz HNBQSABRCSLQFQ-UHFFFAOYSA-N 1 0 322.409 2.697 20 5 DFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000277134344 213317272 /nfs/dbraw/zinc/31/72/72/213317272.db2.gz PTSOWMPRXUISEK-AWEZNQCLSA-N 1 0 320.437 2.589 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000174126361 198294790 /nfs/dbraw/zinc/29/47/90/198294790.db2.gz CXUQVJDOTCCODH-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915727 398703013 /nfs/dbraw/zinc/70/30/13/398703013.db2.gz KLLDBXUTIAZDBS-DOMZBBRYSA-N 1 0 319.405 2.747 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854989 398705241 /nfs/dbraw/zinc/70/52/41/398705241.db2.gz OMJALLILMYOSFN-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597856012 398705322 /nfs/dbraw/zinc/70/53/22/398705322.db2.gz UTSCRVRCDYAFIR-JTQLQIEISA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593914177 398703130 /nfs/dbraw/zinc/70/31/30/398703130.db2.gz AHVLWMWSFPZFDT-CZUORRHYSA-N 1 0 319.405 2.503 20 5 DFBDRO C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861714 398706017 /nfs/dbraw/zinc/70/60/17/398706017.db2.gz WAVBPMAXFRETMD-DOMZBBRYSA-N 1 0 319.405 2.687 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174558241 198352295 /nfs/dbraw/zinc/35/22/95/198352295.db2.gz GNLUFVZZRRFUIB-AWEZNQCLSA-N 1 0 317.389 2.543 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccc2)C2CCC2)c1 ZINC000174847399 198393019 /nfs/dbraw/zinc/39/30/19/198393019.db2.gz WEBHUKUJMGRAEZ-INIZCTEOSA-N 1 0 300.362 2.922 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000073140875 191282628 /nfs/dbraw/zinc/28/26/28/191282628.db2.gz FQYIDPFXUFFWML-CYBMUJFWSA-N 1 0 305.378 2.822 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590971460 398710783 /nfs/dbraw/zinc/71/07/83/398710783.db2.gz QWOIQUVZCBNAPC-KGLIPLIRSA-N 1 0 317.345 2.783 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000046777897 398718899 /nfs/dbraw/zinc/71/88/99/398718899.db2.gz BVQUUGCLPIWXEQ-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO CCCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046773660 398718180 /nfs/dbraw/zinc/71/81/80/398718180.db2.gz YHZAZMTWJFMMCT-OAHLLOKOSA-N 1 0 308.378 2.599 20 5 DFBDRO CN(C(=O)C[N@@H+]1CC[C@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591061747 398720053 /nfs/dbraw/zinc/72/00/53/398720053.db2.gz GVKZHJIUZDBKMM-AWEZNQCLSA-N 1 0 317.389 2.680 20 5 DFBDRO COC1([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000591051817 398719371 /nfs/dbraw/zinc/71/93/71/398719371.db2.gz LZHKAAPXENHTPI-ZDUSSCGKSA-N 1 0 308.378 2.911 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061983 398720186 /nfs/dbraw/zinc/72/01/86/398720186.db2.gz QEBONLYQAAZRQV-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415307777 295876392 /nfs/dbraw/zinc/87/63/92/295876392.db2.gz ZDMPMJSTFQHZMZ-OLZOCXBDSA-N 1 0 320.393 2.721 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CC[NH2+]CC1 ZINC000236796355 202013577 /nfs/dbraw/zinc/01/35/77/202013577.db2.gz UYEJPFGXBOIYDB-UHFFFAOYSA-N 1 0 319.405 2.722 20 5 DFBDRO Nc1c(F)c(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000277039868 213257169 /nfs/dbraw/zinc/25/71/69/213257169.db2.gz FTZRCKVFNDQEBG-UHFFFAOYSA-N 1 0 322.384 2.771 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415486185 295886915 /nfs/dbraw/zinc/88/69/15/295886915.db2.gz RFIMBOJNALOERJ-NEPJUHHUSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415487775 295887104 /nfs/dbraw/zinc/88/71/04/295887104.db2.gz UPEKXNNXFGYCIT-OLZOCXBDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415491401 295887457 /nfs/dbraw/zinc/88/74/57/295887457.db2.gz ZOBNNZXVOUBJSY-STQMWFEESA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415584297 295892006 /nfs/dbraw/zinc/89/20/06/295892006.db2.gz SJLBCZMONOZCCD-MEBBXXQBSA-N 1 0 320.393 2.803 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045057 398730505 /nfs/dbraw/zinc/73/05/05/398730505.db2.gz SNYSXJVJAGZBSO-HIFRSBDPSA-N 1 0 308.378 2.911 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594056133 398734117 /nfs/dbraw/zinc/73/41/17/398734117.db2.gz RDPLVQAXFIOTCX-GJZGRUSLSA-N 1 0 318.377 2.733 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)C(C)(C)C ZINC000074316936 398738781 /nfs/dbraw/zinc/73/87/81/398738781.db2.gz VJDVJRSGBNZLDY-SNVBAGLBSA-N 1 0 309.366 2.566 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000332594329 235164825 /nfs/dbraw/zinc/16/48/25/235164825.db2.gz OLZUBSMWWIOMPP-ZIAGYGMSSA-N 1 0 317.389 2.520 20 5 DFBDRO CC[C@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000591301723 398746671 /nfs/dbraw/zinc/74/66/71/398746671.db2.gz UEFFMRPUGDMIFQ-QWHCGFSZSA-N 1 0 320.393 2.803 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047416142 398748661 /nfs/dbraw/zinc/74/86/61/398748661.db2.gz GDZJXNPCMBQARH-KBPBESRZSA-N 1 0 319.405 2.693 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000047416144 398748993 /nfs/dbraw/zinc/74/89/93/398748993.db2.gz GDZJXNPCMBQARH-ZIAGYGMSSA-N 1 0 319.405 2.693 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC000591434656 398760183 /nfs/dbraw/zinc/76/01/83/398760183.db2.gz IADXFNQVISMMES-CQSZACIVSA-N 1 0 300.362 2.577 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000591441734 398761708 /nfs/dbraw/zinc/76/17/08/398761708.db2.gz GCDRLERRNRBXBB-KGLIPLIRSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N2CC[NH2+]C[C@](C)(F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591442120 398761730 /nfs/dbraw/zinc/76/17/30/398761730.db2.gz DKWABLJPVRVOFZ-INIZCTEOSA-N 1 0 318.352 2.589 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000594195769 398762619 /nfs/dbraw/zinc/76/26/19/398762619.db2.gz JAXQCHPSKOTRQF-GDBMZVCRSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074749576 398763984 /nfs/dbraw/zinc/76/39/84/398763984.db2.gz LCEWGOCEBLJRHL-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199372 398764418 /nfs/dbraw/zinc/76/44/18/398764418.db2.gz YDCFZSKLOCHSPQ-HOTGVXAUSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594202809 398764762 /nfs/dbraw/zinc/76/47/62/398764762.db2.gz SGBYYTXALXRXHK-GJZGRUSLSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000081052964 192221265 /nfs/dbraw/zinc/22/12/65/192221265.db2.gz YGSSQBGVVPXSLT-KGLIPLIRSA-N 1 0 318.377 2.604 20 5 DFBDRO CCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000081519824 192279310 /nfs/dbraw/zinc/27/93/10/192279310.db2.gz XFPLKKQNMPLMFG-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])c1 ZINC000591676578 398780242 /nfs/dbraw/zinc/78/02/42/398780242.db2.gz YCTCTTOENFMXTP-YGRLFVJLSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@H](CCC1CC1)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761291 398784950 /nfs/dbraw/zinc/78/49/50/398784950.db2.gz HBLDDWSRTSJQOY-DOMZBBRYSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594388940 398790504 /nfs/dbraw/zinc/79/05/04/398790504.db2.gz DCHCGOZIJJMHFR-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000594390064 398791092 /nfs/dbraw/zinc/79/10/92/398791092.db2.gz RVVRCUXDWMCHDS-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC(C)COC[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135225901 283211581 /nfs/dbraw/zinc/21/15/81/283211581.db2.gz LLIQDCSRIWTZOW-INIZCTEOSA-N 1 0 322.405 2.593 20 5 DFBDRO CCOc1cc(CN2CC[C@@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897067 213161193 /nfs/dbraw/zinc/16/11/93/213161193.db2.gz LATOYOVPJHYUSV-HNNXBMFYSA-N 1 0 321.421 2.767 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000276859380 213137429 /nfs/dbraw/zinc/13/74/29/213137429.db2.gz GCMKHOZIRJHANQ-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO CSCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000151148420 283276839 /nfs/dbraw/zinc/27/68/39/283276839.db2.gz RLHBUQUTDSACLV-UHFFFAOYSA-N 1 0 311.407 2.527 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494677 398808635 /nfs/dbraw/zinc/80/86/35/398808635.db2.gz QSRWPRMMHYZXGS-GJZGRUSLSA-N 1 0 312.373 2.983 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCn2ccnc21 ZINC000594496625 398810287 /nfs/dbraw/zinc/81/02/87/398810287.db2.gz PTAOHCUYMKSYKK-IUODEOHRSA-N 1 0 312.373 2.946 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000594495343 398809631 /nfs/dbraw/zinc/80/96/31/398809631.db2.gz VLMPTJPZFPITCA-IOASZLSFSA-N 1 0 301.390 2.799 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179367252 199022640 /nfs/dbraw/zinc/02/26/40/199022640.db2.gz SWFRDLAFAAUNKR-VFQAQYNWSA-N 1 0 318.373 2.693 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000179398379 199028540 /nfs/dbraw/zinc/02/85/40/199028540.db2.gz CBLJXQVLQUHZFG-GFCCVEGCSA-N 1 0 323.393 2.559 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(CO)cc1 ZINC000594516289 398814532 /nfs/dbraw/zinc/81/45/32/398814532.db2.gz XWOBRBUTQUCLBR-KRWDZBQOSA-N 1 0 312.369 2.907 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2nccs2)CC1 ZINC000075614232 398813462 /nfs/dbraw/zinc/81/34/62/398813462.db2.gz QVHWWNJGKIZTLC-GFCCVEGCSA-N 1 0 318.402 2.935 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000075621946 398813531 /nfs/dbraw/zinc/81/35/31/398813531.db2.gz WABXQKCNHAHFDZ-AWEZNQCLSA-N 1 0 312.373 2.873 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000598466837 398817636 /nfs/dbraw/zinc/81/76/36/398817636.db2.gz XANGYJKWUGOPNS-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676439 398817094 /nfs/dbraw/zinc/81/70/94/398817094.db2.gz SKDYZYTXUDDVIH-UONOGXRCSA-N 1 0 319.405 2.894 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000598465579 398817208 /nfs/dbraw/zinc/81/72/08/398817208.db2.gz GHFUDCQMKKPNMT-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000594594711 398826317 /nfs/dbraw/zinc/82/63/17/398826317.db2.gz QDSRCWQZYNNMCD-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000051828042 398826360 /nfs/dbraw/zinc/82/63/60/398826360.db2.gz ADKJYUMAAUDIHK-UHFFFAOYSA-N 1 0 314.341 2.998 20 5 DFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000598538173 398829832 /nfs/dbraw/zinc/82/98/32/398829832.db2.gz ZHSJXECWUHGMNL-UHFFFAOYSA-N 1 0 323.418 2.508 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000180042638 199111380 /nfs/dbraw/zinc/11/13/80/199111380.db2.gz RJLLEXRADIAHSS-UHFFFAOYSA-N 1 0 313.361 2.713 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594693846 398844020 /nfs/dbraw/zinc/84/40/20/398844020.db2.gz WLSBZVAQDJCFEY-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000594698117 398844704 /nfs/dbraw/zinc/84/47/04/398844704.db2.gz WFENTIVCNQOCLA-GFCCVEGCSA-N 1 0 324.812 2.859 20 5 DFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594712697 398847284 /nfs/dbraw/zinc/84/72/84/398847284.db2.gz VXSYVFWHRHRJDQ-SWLSCSKDSA-N 1 0 308.378 2.687 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000594714330 398847446 /nfs/dbraw/zinc/84/74/46/398847446.db2.gz MYGZKZXBSIGIBF-KRWDZBQOSA-N 1 0 323.437 2.506 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000052843055 398852515 /nfs/dbraw/zinc/85/25/15/398852515.db2.gz DNNBOFGPSUSEPI-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000052843054 398852595 /nfs/dbraw/zinc/85/25/95/398852595.db2.gz DNNBOFGPSUSEPI-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000152851607 283342143 /nfs/dbraw/zinc/34/21/43/283342143.db2.gz YBVGMWFWHCESIU-UHFFFAOYSA-N 1 0 303.309 2.950 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000598663979 398850324 /nfs/dbraw/zinc/85/03/24/398850324.db2.gz DMHIFIGGTNXOTK-ZIAGYGMSSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000598663973 398850467 /nfs/dbraw/zinc/85/04/67/398850467.db2.gz DMHIFIGGTNXOTK-KBPBESRZSA-N 1 0 319.405 2.860 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CCCC1CCC1 ZINC000594732377 398850723 /nfs/dbraw/zinc/85/07/23/398850723.db2.gz KAZOWYCIBMXHHY-AWEZNQCLSA-N 1 0 308.378 2.504 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435637 199158677 /nfs/dbraw/zinc/15/86/77/199158677.db2.gz AYDPCRNKRYXPBX-XEZPLFJOSA-N 1 0 319.405 2.940 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000237333030 202235111 /nfs/dbraw/zinc/23/51/11/202235111.db2.gz PUYOQMLZKLOVRK-QWRGUYRKSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000180588036 199180517 /nfs/dbraw/zinc/18/05/17/199180517.db2.gz CUDHEJGERBDKLG-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594929614 398874403 /nfs/dbraw/zinc/87/44/03/398874403.db2.gz LDWWYVCWSRUQLK-DAXOMENPSA-N 1 0 320.389 2.705 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc3n2CCC3)cc1[N+](=O)[O-] ZINC000594942079 398877358 /nfs/dbraw/zinc/87/73/58/398877358.db2.gz WESQYDBYEWTEKT-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO Cn1ncc(C2CCC2)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000594940295 398877522 /nfs/dbraw/zinc/87/75/22/398877522.db2.gz ZFXAEWVNICBCDR-UHFFFAOYSA-N 1 0 314.389 2.928 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594933660 398874969 /nfs/dbraw/zinc/87/49/69/398874969.db2.gz ATLNCUHZUYDBMM-CDGCEXEKSA-N 1 0 306.362 2.751 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccnn2CC2CC2)c1 ZINC000594935201 398875597 /nfs/dbraw/zinc/87/55/97/398875597.db2.gz HUWRGNXPHOZIBJ-UHFFFAOYSA-N 1 0 300.362 2.534 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594954403 398880376 /nfs/dbraw/zinc/88/03/76/398880376.db2.gz LESLNRGVXYJKMZ-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[N@H+](Cc3ccccc3)CC2)nc1 ZINC000139592895 398884510 /nfs/dbraw/zinc/88/45/10/398884510.db2.gz BFRZTJGPIISGKQ-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594961517 398882540 /nfs/dbraw/zinc/88/25/40/398882540.db2.gz ODCMNNBDILWYGE-CGSMKXTHSA-N 1 0 310.419 2.683 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000594967582 398883341 /nfs/dbraw/zinc/88/33/41/398883341.db2.gz UBXITIDCMJIPSB-HNNXBMFYSA-N 1 0 321.421 2.956 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c(Cl)c1 ZINC000594982840 398886578 /nfs/dbraw/zinc/88/65/78/398886578.db2.gz IUINJFFCINIYIQ-UHFFFAOYSA-N 1 0 310.781 2.889 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000594999242 398888726 /nfs/dbraw/zinc/88/87/26/398888726.db2.gz APFFTGIKMYTYEG-UHFFFAOYSA-N 1 0 314.332 2.933 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1cccn1 ZINC000595003420 398889173 /nfs/dbraw/zinc/88/91/73/398889173.db2.gz FUUHHYVWFXCPCH-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000468642113 299280897 /nfs/dbraw/zinc/28/08/97/299280897.db2.gz IBXGSPZSHXYNMV-CUXKMMBLSA-N 1 0 312.373 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cn1ccnc1 ZINC000595005571 398890033 /nfs/dbraw/zinc/89/00/33/398890033.db2.gz ASQNVXFUPRCARC-NWDGAFQWSA-N 1 0 304.350 2.539 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000595009042 398890835 /nfs/dbraw/zinc/89/08/35/398890835.db2.gz BCWJMCXCNOBEFW-MQIPJXDCSA-N 1 0 319.405 2.737 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCC[N@H+](C)C1 ZINC000595015979 398892285 /nfs/dbraw/zinc/89/22/85/398892285.db2.gz FRXKYJPOWWSUBW-QWHCGFSZSA-N 1 0 307.394 2.596 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000598915463 398892913 /nfs/dbraw/zinc/89/29/13/398892913.db2.gz MGMUVVQAVPCNNS-WFASDCNBSA-N 1 0 318.377 2.591 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCCCC1 ZINC000598915128 398892917 /nfs/dbraw/zinc/89/29/17/398892917.db2.gz IIXNEZDQQVNJBA-UHFFFAOYSA-N 1 0 324.356 2.907 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH2+]CC1 ZINC000598914380 398892978 /nfs/dbraw/zinc/89/29/78/398892978.db2.gz BXOQJXYYPNXSMY-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C1CC1)[NH+](C)C ZINC000595016292 398892477 /nfs/dbraw/zinc/89/24/77/398892477.db2.gz KBWAVNMPQHGQPP-NHYWBVRUSA-N 1 0 307.394 2.594 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000595026564 398894446 /nfs/dbraw/zinc/89/44/46/398894446.db2.gz PPWQLSOSVFQDKN-ZOWXZIJZSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000595031863 398895160 /nfs/dbraw/zinc/89/51/60/398895160.db2.gz CZOUCOZFRYRBMA-LBPRGKRZSA-N 1 0 308.378 2.807 20 5 DFBDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000595041349 398896208 /nfs/dbraw/zinc/89/62/08/398896208.db2.gz POVFXWWABPOVEP-INIZCTEOSA-N 1 0 322.405 2.825 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041956 398896581 /nfs/dbraw/zinc/89/65/81/398896581.db2.gz RHYMXXRQCQVRKN-CHWSQXEVSA-N 1 0 309.410 2.984 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595047703 398897087 /nfs/dbraw/zinc/89/70/87/398897087.db2.gz DUZZAORVTCRLFL-SDDRHHMPSA-N 1 0 322.361 2.596 20 5 DFBDRO COC[C@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000595061186 398899688 /nfs/dbraw/zinc/89/96/88/398899688.db2.gz QSAGIGKJCLIYIC-HOCLYGCPSA-N 1 0 308.378 2.613 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CC1(F)F ZINC000595066982 398901395 /nfs/dbraw/zinc/90/13/95/398901395.db2.gz CSWJZCLRJSSEMY-BXUZGUMPSA-N 1 0 314.332 2.930 20 5 DFBDRO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000595064155 398900397 /nfs/dbraw/zinc/90/03/97/398900397.db2.gz DRMLJZNASWTFOT-SUMWQHHRSA-N 1 0 322.405 2.995 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000595069151 398901783 /nfs/dbraw/zinc/90/17/83/398901783.db2.gz NCSNBGJQWNWIRA-YRGRVCCFSA-N 1 0 315.377 2.803 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000595069017 398901988 /nfs/dbraw/zinc/90/19/88/398901988.db2.gz MICWKVLMVSJJPO-ZANVPECISA-N 1 0 316.304 2.678 20 5 DFBDRO Cn1ncc(C2CC2)c1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595077589 398902833 /nfs/dbraw/zinc/90/28/33/398902833.db2.gz OJPCWPSSVLGRIT-HNNXBMFYSA-N 1 0 312.373 2.983 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CC1 ZINC000595089906 398903586 /nfs/dbraw/zinc/90/35/86/398903586.db2.gz QKCLQKOLNFNIIQ-ZFWWWQNUSA-N 1 0 306.406 2.914 20 5 DFBDRO Cc1cncc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595092642 398903645 /nfs/dbraw/zinc/90/36/45/398903645.db2.gz YKIHOGAVMVMFRR-QGZVFWFLSA-N 1 0 312.373 2.903 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](O)C13CCC3)CCC2 ZINC000595088156 398903783 /nfs/dbraw/zinc/90/37/83/398903783.db2.gz HULGKWMSWHSIJI-BZUAXINKSA-N 1 0 302.374 2.865 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595099239 398905564 /nfs/dbraw/zinc/90/55/64/398905564.db2.gz GARDWDTXDGNTPB-GUYCJALGSA-N 1 0 322.405 2.813 20 5 DFBDRO Cc1cncc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000595092719 398904137 /nfs/dbraw/zinc/90/41/37/398904137.db2.gz ZRHCHKUOPQEIPL-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595105193 398906304 /nfs/dbraw/zinc/90/63/04/398906304.db2.gz RBMDSUKPOJQNDW-QWHCGFSZSA-N 1 0 319.405 2.892 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000470184116 299293198 /nfs/dbraw/zinc/29/31/98/299293198.db2.gz FUWPIMHYQRXKOF-GLNPCMGASA-N 1 0 317.389 2.728 20 5 DFBDRO COC(=O)C1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000470177765 299293296 /nfs/dbraw/zinc/29/32/96/299293296.db2.gz FUOLRAJFXCWLMA-RAXLEYEMSA-N 1 0 318.373 2.883 20 5 DFBDRO Cc1noc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000054677893 398907142 /nfs/dbraw/zinc/90/71/42/398907142.db2.gz FKDPLISBKLRPDC-UHFFFAOYSA-N 1 0 302.334 2.666 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000054778205 398909191 /nfs/dbraw/zinc/90/91/91/398909191.db2.gz UVXXEAMCQPVVIA-NEPJUHHUSA-N 1 0 323.368 2.727 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225707 398911133 /nfs/dbraw/zinc/91/11/33/398911133.db2.gz NNLVLTQTQRQKRC-GDBMZVCRSA-N 1 0 317.389 2.589 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595232432 398911623 /nfs/dbraw/zinc/91/16/23/398911623.db2.gz BPZMIBCGEFWUQG-UHFFFAOYSA-N 1 0 306.366 2.550 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1[N+](=O)[O-] ZINC000595258529 398913397 /nfs/dbraw/zinc/91/33/97/398913397.db2.gz PNXICHZTDUCQNC-IUODEOHRSA-N 1 0 319.405 2.883 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000187677033 200143405 /nfs/dbraw/zinc/14/34/05/200143405.db2.gz YAEBVGDJKPULEA-LKTVYLICSA-N 1 0 308.378 2.804 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599053494 398914102 /nfs/dbraw/zinc/91/41/02/398914102.db2.gz UJOMXBXPBOOBEP-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237522538 202270277 /nfs/dbraw/zinc/27/02/77/202270277.db2.gz KHCOHSKEOYHESU-FPMFFAJLSA-N 1 0 305.378 2.598 20 5 DFBDRO Cc1ncccc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599072451 398917074 /nfs/dbraw/zinc/91/70/74/398917074.db2.gz FAYUKCFJUINWOC-HUUCEWRRSA-N 1 0 315.377 2.768 20 5 DFBDRO O=C1Nc2ccccc2C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075362 398917810 /nfs/dbraw/zinc/91/78/10/398917810.db2.gz VSRRNRFJNDHLBG-JKSUJKDBSA-N 1 0 323.352 2.735 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000188103924 200194005 /nfs/dbraw/zinc/19/40/05/200194005.db2.gz IHRWVLCUHRQCJQ-TZMCWYRMSA-N 1 0 306.362 2.534 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc4cnccc4c3[N+](=O)[O-])C2)C1 ZINC000599078794 398918191 /nfs/dbraw/zinc/91/81/91/398918191.db2.gz BGOXCIYHJSDTPE-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000599078783 398918296 /nfs/dbraw/zinc/91/82/96/398918296.db2.gz KNDRYHHHPVWZAV-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CC1CC(O)C1 ZINC000599083518 398918833 /nfs/dbraw/zinc/91/88/33/398918833.db2.gz YFXGBYNJDMEUPB-QFXNTCPOSA-N 1 0 304.390 2.667 20 5 DFBDRO CCC(CC)[NH2+]CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000599098572 398921025 /nfs/dbraw/zinc/92/10/25/398921025.db2.gz XGUJYQHOSIUENW-UHFFFAOYSA-N 1 0 309.366 2.572 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000237718945 202338856 /nfs/dbraw/zinc/33/88/56/202338856.db2.gz NNZKLXSRYFECPI-UHFFFAOYSA-N 1 0 323.368 2.776 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319959 398921948 /nfs/dbraw/zinc/92/19/48/398921948.db2.gz UWJXKWWTQMJDTN-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333472 398923729 /nfs/dbraw/zinc/92/37/29/398923729.db2.gz UHVCFRWCZMTDPF-CQSZACIVSA-N 1 0 321.396 2.898 20 5 DFBDRO CCO[C@H]1C[C@@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344376 398925066 /nfs/dbraw/zinc/92/50/66/398925066.db2.gz CZDQPIGFZWPWKR-OLZOCXBDSA-N 1 0 309.366 2.671 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](Oc2ccccn2)C1 ZINC000595346177 398925087 /nfs/dbraw/zinc/92/50/87/398925087.db2.gz GGRYXEISJXIZLZ-AWEZNQCLSA-N 1 0 317.320 2.782 20 5 DFBDRO CC(=O)c1ccc(NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599141028 398927455 /nfs/dbraw/zinc/92/74/55/398927455.db2.gz YHWIIVYSLKPXFU-ZDUSSCGKSA-N 1 0 305.378 2.941 20 5 DFBDRO Cc1noc(C[NH2+][C@]2(CO)C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595373965 398928550 /nfs/dbraw/zinc/92/85/50/398928550.db2.gz UHWLDNIGGSYFMU-ZUZCIYMTSA-N 1 0 311.382 2.558 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000189012708 200335682 /nfs/dbraw/zinc/33/56/82/200335682.db2.gz GIIMHVQNKFGNCL-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO CC(C)NC(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306978 296008496 /nfs/dbraw/zinc/00/84/96/296008496.db2.gz DDAAXCBHXYVVJZ-MRXNPFEDSA-N 1 0 319.405 2.867 20 5 DFBDRO COCC[C@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306777 296008509 /nfs/dbraw/zinc/00/85/09/296008509.db2.gz GMMLFTBWUCSXBS-SJORKVTESA-N 1 0 322.405 2.739 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CC[N@@H+]1C1CCCC1)CCN2 ZINC000599165767 398932342 /nfs/dbraw/zinc/93/23/42/398932342.db2.gz SCFCSXJLDMIBKM-CYBMUJFWSA-N 1 0 316.405 2.992 20 5 DFBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809813 299307342 /nfs/dbraw/zinc/30/73/42/299307342.db2.gz JETAYWNYHOOXRS-SMDDNHRTSA-N 1 0 302.330 2.810 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C(F)(F)F)CCCC2 ZINC000417344497 296012271 /nfs/dbraw/zinc/01/22/71/296012271.db2.gz SFFHTZXIQBKLTR-OLZOCXBDSA-N 1 0 318.295 2.875 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000153226917 398935215 /nfs/dbraw/zinc/93/52/15/398935215.db2.gz HOMAYXAFTPGLGW-HIFRSBDPSA-N 1 0 321.421 2.522 20 5 DFBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153223419 398935457 /nfs/dbraw/zinc/93/54/57/398935457.db2.gz KURGPFOTYBRMDR-BETUJISGSA-N 1 0 303.362 2.655 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)CC(C)C ZINC000417360233 296013570 /nfs/dbraw/zinc/01/35/70/296013570.db2.gz JTAIJZGAZRNSHN-SOUVJXGZSA-N 1 0 324.425 2.926 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC12CC2 ZINC000417367584 296014130 /nfs/dbraw/zinc/01/41/30/296014130.db2.gz PWZSBLNWUKRUNC-RYUDHWBXSA-N 1 0 303.362 2.702 20 5 DFBDRO CCC1(CC)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@@H](C)[C@@H]1OC ZINC000595454041 398941547 /nfs/dbraw/zinc/94/15/47/398941547.db2.gz HQNGBJWONVUWGW-FZQKWOKYSA-N 1 0 311.382 2.821 20 5 DFBDRO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281265803 216196907 /nfs/dbraw/zinc/19/69/07/216196907.db2.gz FLSAJRMVWSXCFD-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246060641 283569643 /nfs/dbraw/zinc/56/96/43/283569643.db2.gz YRFHXMAHXSUVIU-ZOWXZIJZSA-N 1 0 305.378 2.724 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055914066 398948142 /nfs/dbraw/zinc/94/81/42/398948142.db2.gz VGMQFWQHJLQSDC-GFCCVEGCSA-N 1 0 317.389 2.646 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190996451 200614521 /nfs/dbraw/zinc/61/45/21/200614521.db2.gz MHYMVUVUWZKBQG-UHFFFAOYSA-N 1 0 320.393 2.935 20 5 DFBDRO Cc1c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508861 398953038 /nfs/dbraw/zinc/95/30/38/398953038.db2.gz YXSZCEOZANESKC-KRWDZBQOSA-N 1 0 303.406 2.821 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000595510379 398953820 /nfs/dbraw/zinc/95/38/20/398953820.db2.gz AGYOKVFSGOSNFG-BPLDGKMQSA-N 1 0 306.337 2.781 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCSC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000271967789 209346604 /nfs/dbraw/zinc/34/66/04/209346604.db2.gz VVCPQEIZMKFAKA-ZDUSSCGKSA-N 1 0 318.402 2.590 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000157611269 398954620 /nfs/dbraw/zinc/95/46/20/398954620.db2.gz CESXARURWLCMDO-GHMZBOCLSA-N 1 0 321.377 2.709 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000604561538 398958715 /nfs/dbraw/zinc/95/87/15/398958715.db2.gz CRPKBSNVLDMHDQ-AWEZNQCLSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000595536894 398959197 /nfs/dbraw/zinc/95/91/97/398959197.db2.gz WOXNKOOPPQQUHL-NSHDSACASA-N 1 0 313.348 2.789 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000078563557 398967659 /nfs/dbraw/zinc/96/76/59/398967659.db2.gz GBMASGKPCIIJEM-LBPRGKRZSA-N 1 0 322.365 2.671 20 5 DFBDRO CCn1cc(CN(Cc2onc(C)c2[N+](=O)[O-])C(C)C)cn1 ZINC000595557710 398970271 /nfs/dbraw/zinc/97/02/71/398970271.db2.gz ITQDPCIEHVAXAT-UHFFFAOYSA-N 1 0 307.354 2.518 20 5 DFBDRO COCCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529927 297306941 /nfs/dbraw/zinc/30/69/41/297306941.db2.gz NCTXRBQPLAXYDU-ZIAGYGMSSA-N 1 0 310.398 2.681 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOCC(F)F)CCC2 ZINC000193347271 201034882 /nfs/dbraw/zinc/03/48/82/201034882.db2.gz UPXQFIKXNTVRSC-CYBMUJFWSA-N 1 0 300.305 2.844 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056503233 398975158 /nfs/dbraw/zinc/97/51/58/398975158.db2.gz OBDVIDQVFOYWIP-CHWSQXEVSA-N 1 0 320.393 2.837 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000193712354 201109119 /nfs/dbraw/zinc/10/91/19/201109119.db2.gz UKNZTEPYVOPOJO-UHFFFAOYSA-N 1 0 320.393 2.979 20 5 DFBDRO COc1ccc(OCC[N@H+](C)CCCSC)c([N+](=O)[O-])c1 ZINC000281490478 216336418 /nfs/dbraw/zinc/33/64/18/216336418.db2.gz TUGKROPYOQCPIE-UHFFFAOYSA-N 1 0 314.407 2.667 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000194493988 201238375 /nfs/dbraw/zinc/23/83/75/201238375.db2.gz MJCCVKAMJPMSCN-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC(O)CC1)C1CC1 ZINC000090800067 192933926 /nfs/dbraw/zinc/93/39/26/192933926.db2.gz NBWGSFIXPKIPGH-UYSNPLJNSA-N 1 0 304.390 2.809 20 5 DFBDRO CCC[C@]1(COC)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000194922700 201312474 /nfs/dbraw/zinc/31/24/74/201312474.db2.gz RSROXSKRHAAEJK-DLBZAZTESA-N 1 0 322.405 2.909 20 5 DFBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000195498773 201394766 /nfs/dbraw/zinc/39/47/66/201394766.db2.gz JYQGYCAZKVYGOT-SWLSCSKDSA-N 1 0 305.378 2.726 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000090880798 192940372 /nfs/dbraw/zinc/94/03/72/192940372.db2.gz HKJDUTFTGWBNDB-CYBMUJFWSA-N 1 0 307.394 2.716 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000245848395 202547768 /nfs/dbraw/zinc/54/77/68/202547768.db2.gz FLSUPDUPWMTUST-LAQFHYBYSA-N 1 0 319.405 2.972 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)(C)C)cc1[N+](=O)[O-] ZINC000271838372 209257920 /nfs/dbraw/zinc/25/79/20/209257920.db2.gz YUISMQPCEBXOAJ-OCCSQVGLSA-N 1 0 310.394 2.730 20 5 DFBDRO CC1(C)CCC(C)(C)[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000599537613 399006585 /nfs/dbraw/zinc/00/65/85/399006585.db2.gz GVOHYFNCQIRABG-UHFFFAOYSA-N 1 0 307.394 2.657 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000417857225 296058463 /nfs/dbraw/zinc/05/84/63/296058463.db2.gz UAMIBUPTOCTCEB-GXTWGEPZSA-N 1 0 322.409 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275495042 212371499 /nfs/dbraw/zinc/37/14/99/212371499.db2.gz BYXMKILTJTVWIR-GJZGRUSLSA-N 1 0 318.377 2.652 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000271810950 209234978 /nfs/dbraw/zinc/23/49/78/209234978.db2.gz ASOUEZDSCXQERB-NUEKZKHPSA-N 1 0 304.390 2.931 20 5 DFBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n(C)n1 ZINC000417972505 296068147 /nfs/dbraw/zinc/06/81/47/296068147.db2.gz BRBCQVGOTDLIFW-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254989969 283839573 /nfs/dbraw/zinc/83/95/73/283839573.db2.gz XCZYNUZLRDCYCR-UMZRIGFJSA-N 1 0 317.389 2.597 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000600313697 399031437 /nfs/dbraw/zinc/03/14/37/399031437.db2.gz JHXVZMSWOFGVSA-ZDUSSCGKSA-N 1 0 319.405 2.619 20 5 DFBDRO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000418229924 296082379 /nfs/dbraw/zinc/08/23/79/296082379.db2.gz IHSDJNPZJFALPK-LBPRGKRZSA-N 1 0 320.393 2.617 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000091986246 193137376 /nfs/dbraw/zinc/13/73/76/193137376.db2.gz IBXPEAADNAJXNT-GFCCVEGCSA-N 1 0 308.378 2.959 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1CN1CCc2c(O)cccc2C1 ZINC000599646932 399042047 /nfs/dbraw/zinc/04/20/47/399042047.db2.gz MXNZLRWXOJZDDY-UHFFFAOYSA-N 1 0 300.314 2.564 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@H]21 ZINC000599656175 399048927 /nfs/dbraw/zinc/04/89/27/399048927.db2.gz ZZGYDZOFNVKHEA-XHSDSOJGSA-N 1 0 318.373 2.758 20 5 DFBDRO CCC(O)(CC)C[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000599672502 399055043 /nfs/dbraw/zinc/05/50/43/399055043.db2.gz DORZMDCIILXDJU-UHFFFAOYSA-N 1 0 314.357 2.725 20 5 DFBDRO COc1coc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1=O ZINC000271793821 209222379 /nfs/dbraw/zinc/22/23/79/209222379.db2.gz NVWJYKLUVJEFIA-LLVKDONJSA-N 1 0 318.329 2.716 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418451372 296097224 /nfs/dbraw/zinc/09/72/24/296097224.db2.gz WAGZODIDJKVLNL-LBPRGKRZSA-N 1 0 322.409 2.647 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000275262139 212231150 /nfs/dbraw/zinc/23/11/50/212231150.db2.gz ICDGEXRRILKPLZ-CZUORRHYSA-N 1 0 308.378 2.754 20 5 DFBDRO CCOc1cc(C[N@H+](C)CC2=CCCOC2)ccc1[N+](=O)[O-] ZINC000595748463 399069048 /nfs/dbraw/zinc/06/90/48/399069048.db2.gz ZVSLRAULYGBPGY-UHFFFAOYSA-N 1 0 306.362 2.772 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595755771 399072256 /nfs/dbraw/zinc/07/22/56/399072256.db2.gz QARWKSQWJXBRRR-LBPRGKRZSA-N 1 0 324.352 2.953 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000595764493 399075506 /nfs/dbraw/zinc/07/55/06/399075506.db2.gz CECSCXOLKNAQCK-LBPRGKRZSA-N 1 0 311.769 2.965 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000613779208 399081510 /nfs/dbraw/zinc/08/15/10/399081510.db2.gz OBEZDINUFLWKMI-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305151364 284036930 /nfs/dbraw/zinc/03/69/30/284036930.db2.gz ADUCHSKUFVSTQD-UONOGXRCSA-N 1 0 322.405 2.975 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000092253459 193180950 /nfs/dbraw/zinc/18/09/50/193180950.db2.gz TVEVAJJLSAUZAJ-PPYMECGQSA-N 1 0 303.406 2.882 20 5 DFBDRO Cc1nn(C)c(NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000079927357 399098025 /nfs/dbraw/zinc/09/80/25/399098025.db2.gz ATAVMIDRHRBTKX-STQMWFEESA-N 1 0 323.441 2.807 20 5 DFBDRO CC(C)CC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000595830498 399102850 /nfs/dbraw/zinc/10/28/50/399102850.db2.gz GHDICSMYJSBODP-UHFFFAOYSA-N 1 0 305.378 2.726 20 5 DFBDRO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850621 399112523 /nfs/dbraw/zinc/11/25/23/399112523.db2.gz MLEFZTMPJIXHQC-DZGCQCFKSA-N 1 0 319.405 2.892 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1OC ZINC000595871416 399118052 /nfs/dbraw/zinc/11/80/52/399118052.db2.gz MZCZWCQUVBBXEE-UHFFFAOYSA-N 1 0 309.410 2.813 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000600707131 399120536 /nfs/dbraw/zinc/12/05/36/399120536.db2.gz GUHZOOMECOWUQA-XHSDSOJGSA-N 1 0 303.406 2.646 20 5 DFBDRO CC(C)C[C@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434358 193250462 /nfs/dbraw/zinc/25/04/62/193250462.db2.gz XGKZXLLXPCVLNW-MRVPVSSYSA-N 1 0 317.187 2.538 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434010 193250989 /nfs/dbraw/zinc/25/09/89/193250989.db2.gz WMGJWYOZBFPMRN-MRVPVSSYSA-N 1 0 317.187 2.504 20 5 DFBDRO COc1cc(C[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])cc1OC ZINC000093455881 193254431 /nfs/dbraw/zinc/25/44/31/193254431.db2.gz VHMSNCKXJKQRJQ-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccsc3)C2)nc1 ZINC000093534835 193266548 /nfs/dbraw/zinc/26/65/48/193266548.db2.gz KFIKGMZMQZCXRX-LBPRGKRZSA-N 1 0 304.375 2.738 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600723593 399125063 /nfs/dbraw/zinc/12/50/63/399125063.db2.gz CKWBRILZTBTHFE-AAEUAGOBSA-N 1 0 317.311 2.554 20 5 DFBDRO CCC[C@@](C)([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000262719833 203391915 /nfs/dbraw/zinc/39/19/15/203391915.db2.gz YIDWHOWHVQNXNB-MRXNPFEDSA-N 1 0 307.394 2.551 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904789 399129496 /nfs/dbraw/zinc/12/94/96/399129496.db2.gz LACLIIVYCUWADR-RHSMWYFYSA-N 1 0 321.421 2.698 20 5 DFBDRO C[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420170344 296160325 /nfs/dbraw/zinc/16/03/25/296160325.db2.gz MXDMKVWSQKWVPC-NSHDSACASA-N 1 0 316.336 2.594 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420179237 296160543 /nfs/dbraw/zinc/16/05/43/296160543.db2.gz BWAQCZQIFURMEP-DGCLKSJQSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420179239 296160575 /nfs/dbraw/zinc/16/05/75/296160575.db2.gz BWAQCZQIFURMEP-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H]1C[NH3+] ZINC000420179869 296160629 /nfs/dbraw/zinc/16/06/29/296160629.db2.gz CKOSUNUOGBHQSU-XHDPSFHLSA-N 1 0 300.362 2.707 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000420156388 296159835 /nfs/dbraw/zinc/15/98/35/296159835.db2.gz MXEVTPAFHCWWKQ-LBPRGKRZSA-N 1 0 300.362 2.640 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420189832 296161519 /nfs/dbraw/zinc/16/15/19/296161519.db2.gz FBRHVCDAXJPFPF-FZMZJTMJSA-N 1 0 321.377 2.701 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1Nc1ccc2c(c1)C[NH2+]CC2 ZINC000420180875 296160883 /nfs/dbraw/zinc/16/08/83/296160883.db2.gz DLNKYRUKLMHKQC-UHFFFAOYSA-N 1 0 301.350 2.509 20 5 DFBDRO CC(C)([NH2+]Cc1ccc(C(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000080346969 399139327 /nfs/dbraw/zinc/13/93/27/399139327.db2.gz HCTNURCHSJBPQW-UHFFFAOYSA-N 1 0 313.357 2.719 20 5 DFBDRO CCC([NH3+])(CC)CNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000420199609 296161998 /nfs/dbraw/zinc/16/19/98/296161998.db2.gz DJHVZDOAEDTYCI-UHFFFAOYSA-N 1 0 322.409 2.662 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000420201531 296162077 /nfs/dbraw/zinc/16/20/77/296162077.db2.gz HQOWCQYOGAAALY-AWEZNQCLSA-N 1 0 302.378 2.953 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420217184 296162825 /nfs/dbraw/zinc/16/28/25/296162825.db2.gz NJVFGLORPVFABZ-WDEREUQCSA-N 1 0 318.402 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000420218490 296163174 /nfs/dbraw/zinc/16/31/74/296163174.db2.gz XZMRLZILVXKJJH-JTQLQIEISA-N 1 0 315.320 2.998 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)Cn1cccn1 ZINC000264400407 203901781 /nfs/dbraw/zinc/90/17/81/203901781.db2.gz VJPMNKLAYSCREO-CYBMUJFWSA-N 1 0 318.377 2.757 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420234923 296164463 /nfs/dbraw/zinc/16/44/63/296164463.db2.gz HWBAMWBFPVDFBC-DTWKUNHWSA-N 1 0 301.293 2.878 20 5 DFBDRO COc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)c([N+](=O)[O-])c1 ZINC000341197576 284249337 /nfs/dbraw/zinc/24/93/37/284249337.db2.gz VMPDPKLGVPBDTH-UHFFFAOYSA-N 1 0 312.285 2.503 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccccc1 ZINC000420253546 296165885 /nfs/dbraw/zinc/16/58/85/296165885.db2.gz DWHKPLZTDKVZOU-LSDHHAIUSA-N 1 0 324.384 2.703 20 5 DFBDRO [NH3+]C[C@@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788387 399146465 /nfs/dbraw/zinc/14/64/65/399146465.db2.gz IZDBXBGEZMHAGM-INIZCTEOSA-N 1 0 312.373 2.580 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264609873 204025276 /nfs/dbraw/zinc/02/52/76/204025276.db2.gz PGLWDISNACKKDF-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc(-c2cccc(C[C@H](C[NH3+])CO)c2C)cc1[N+](=O)[O-] ZINC000600788891 399146899 /nfs/dbraw/zinc/14/68/99/399146899.db2.gz AYVUQBCEZZLLJT-CQSZACIVSA-N 1 0 314.385 2.988 20 5 DFBDRO CC(=O)c1cc(N2CCC([C@@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000420263458 296167077 /nfs/dbraw/zinc/16/70/77/296167077.db2.gz SRSURRHULOHGRZ-CQSZACIVSA-N 1 0 317.389 2.623 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000596030118 399152120 /nfs/dbraw/zinc/15/21/20/399152120.db2.gz JVEYGDXRTUOCPI-SNVBAGLBSA-N 1 0 303.309 2.982 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1F ZINC000420269766 296167606 /nfs/dbraw/zinc/16/76/06/296167606.db2.gz GAWJLGYGIRQLJN-AWEZNQCLSA-N 1 0 304.325 2.803 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420282004 296168908 /nfs/dbraw/zinc/16/89/08/296168908.db2.gz WIDLAKAQFCBBPN-BDAKNGLRSA-N 1 0 301.293 2.736 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000420282404 296169156 /nfs/dbraw/zinc/16/91/56/296169156.db2.gz SBSAQAXKSVTJEV-CQSZACIVSA-N 1 0 321.377 2.701 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CCNCC1(F)F ZINC000420285919 296169328 /nfs/dbraw/zinc/16/93/28/296169328.db2.gz PTGOISBLRHATEI-MRVPVSSYSA-N 1 0 305.712 2.905 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000341500920 284263284 /nfs/dbraw/zinc/26/32/84/284263284.db2.gz NUXHJHAZUCAKLW-OAHLLOKOSA-N 1 0 322.405 2.882 20 5 DFBDRO C[NH+]1CCC(Nc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC000596061846 399158578 /nfs/dbraw/zinc/15/85/78/399158578.db2.gz LITMJLNIKQWSMF-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264956645 204302262 /nfs/dbraw/zinc/30/22/62/204302262.db2.gz LGZUHAGUSBDGRB-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000265009328 204340201 /nfs/dbraw/zinc/34/02/01/204340201.db2.gz UODMTDSARPSWMS-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO CC(C)[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596065547 399161353 /nfs/dbraw/zinc/16/13/53/399161353.db2.gz ROMLVNABNJGREW-INIZCTEOSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1cc(NC[C@H](Cc2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000080585161 399160416 /nfs/dbraw/zinc/16/04/16/399160416.db2.gz NOQZVXXIPXZQDD-HNNXBMFYSA-N 1 0 314.389 2.883 20 5 DFBDRO COc1cc(N2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596075000 399164415 /nfs/dbraw/zinc/16/44/15/399164415.db2.gz WHQSYQXWTXPLTA-SNVBAGLBSA-N 1 0 311.769 2.541 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000288218945 220025140 /nfs/dbraw/zinc/02/51/40/220025140.db2.gz DPHPEMGKFSJUNH-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420334957 296176702 /nfs/dbraw/zinc/17/67/02/296176702.db2.gz GZCIMEJHSSAKRM-XJKSGUPXSA-N 1 0 319.405 2.566 20 5 DFBDRO CCCC[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000596082404 399166786 /nfs/dbraw/zinc/16/67/86/399166786.db2.gz JTAZZAFDEXDOIY-UHFFFAOYSA-N 1 0 312.801 2.742 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cccn1 ZINC000282521222 217058528 /nfs/dbraw/zinc/05/85/28/217058528.db2.gz GLMZZQHLAZMXMD-KBPBESRZSA-N 1 0 302.378 2.791 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282547846 217079488 /nfs/dbraw/zinc/07/94/88/217079488.db2.gz WVPWRXPRUBDJFO-HNNXBMFYSA-N 1 0 318.373 2.555 20 5 DFBDRO CC(C)C[C@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614212189 399176633 /nfs/dbraw/zinc/17/66/33/399176633.db2.gz RWYOAKBTZNVFPP-GFCCVEGCSA-N 1 0 307.350 2.575 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420385820 296184496 /nfs/dbraw/zinc/18/44/96/296184496.db2.gz FJCOYEZURBCUHY-CZUORRHYSA-N 1 0 319.405 2.567 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397647 296186053 /nfs/dbraw/zinc/18/60/53/296186053.db2.gz MTEHHMBSFGCHAA-IUODEOHRSA-N 1 0 307.369 2.698 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N[C@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596125383 399181829 /nfs/dbraw/zinc/18/18/29/399181829.db2.gz PMBZTPNBKFMVKT-MRXNPFEDSA-N 1 0 320.393 2.766 20 5 DFBDRO COc1cccc([C@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271699786 209136250 /nfs/dbraw/zinc/13/62/50/209136250.db2.gz SHIWXNOOSBESPU-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000600951270 399185771 /nfs/dbraw/zinc/18/57/71/399185771.db2.gz PLVGQZMYGIDBHJ-INIZCTEOSA-N 1 0 300.362 2.577 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCc2cccc3c2CC[NH2+]C3)c1 ZINC000600959467 399187424 /nfs/dbraw/zinc/18/74/24/399187424.db2.gz XNQUJVSXPGPLFX-UHFFFAOYSA-N 1 0 313.357 2.861 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000266169938 205155826 /nfs/dbraw/zinc/15/58/26/205155826.db2.gz QNZWNDHCETUACS-AWEZNQCLSA-N 1 0 319.405 2.850 20 5 DFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266171439 205157464 /nfs/dbraw/zinc/15/74/64/205157464.db2.gz RCHYACOPAGWZCK-HUUCEWRRSA-N 1 0 322.361 2.509 20 5 DFBDRO COc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156616 399194836 /nfs/dbraw/zinc/19/48/36/399194836.db2.gz LZXVZOJGNCIXQB-NOZJJQNGSA-N 1 0 313.785 2.643 20 5 DFBDRO Cc1ccc(NC(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000614284834 399197331 /nfs/dbraw/zinc/19/73/31/399197331.db2.gz QQTKZCINOJAKJL-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000420631533 296194211 /nfs/dbraw/zinc/19/42/11/296194211.db2.gz GUKRRHGRFAZKGK-AWEZNQCLSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011462 399203255 /nfs/dbraw/zinc/20/32/55/399203255.db2.gz RKGPFTXRPLUPCG-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000288441898 220143448 /nfs/dbraw/zinc/14/34/48/220143448.db2.gz OXBFJMBBXYECDT-GXTWGEPZSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)CC2CCCC2)c([N+](=O)[O-])c1 ZINC000064021433 399214855 /nfs/dbraw/zinc/21/48/55/399214855.db2.gz OSCIOUXFONRVQY-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO Cn1nc2c(c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000601106194 399229080 /nfs/dbraw/zinc/22/90/80/399229080.db2.gz VGXWKZIXXXYJBR-UHFFFAOYSA-N 1 0 314.389 2.539 20 5 DFBDRO COc1cncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1C ZINC000601108772 399229502 /nfs/dbraw/zinc/22/95/02/399229502.db2.gz MOMTUOIWOLZKGM-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO Cc1c(C[N@H+](CCO)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000064845244 399233713 /nfs/dbraw/zinc/23/37/13/399233713.db2.gz SREGATMHTVMASW-UHFFFAOYSA-N 1 0 300.358 2.898 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C(F)F ZINC000601147453 399241093 /nfs/dbraw/zinc/24/10/93/399241093.db2.gz NXKKTSBKTNMRBA-UTSBKAFOSA-N 1 0 300.305 2.604 20 5 DFBDRO Cc1cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601149645 399241708 /nfs/dbraw/zinc/24/17/08/399241708.db2.gz PFUFMQUERLPHIJ-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594120 206163715 /nfs/dbraw/zinc/16/37/15/206163715.db2.gz IPADETSOCKPMBZ-IUODEOHRSA-N 1 0 314.389 2.919 20 5 DFBDRO C[NH+](C)C1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601176303 399248450 /nfs/dbraw/zinc/24/84/50/399248450.db2.gz USRKCBMQFVBOJQ-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CC(F)F)c2ccccc2)c1 ZINC000420988817 296221006 /nfs/dbraw/zinc/22/10/06/296221006.db2.gz AXYHYMNDROHBED-ZDUSSCGKSA-N 1 0 310.304 2.777 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000601217578 399257484 /nfs/dbraw/zinc/25/74/84/399257484.db2.gz JZVGVUWVGBLGHR-UHFFFAOYSA-N 1 0 304.394 2.835 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])s2)CC1 ZINC000601217640 399257434 /nfs/dbraw/zinc/25/74/34/399257434.db2.gz LFGRXYFDWLCGJX-UHFFFAOYSA-N 1 0 310.423 2.896 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601250110 399263481 /nfs/dbraw/zinc/26/34/81/399263481.db2.gz KFDZRNIWSYMCDK-LBPRGKRZSA-N 1 0 323.368 2.680 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267850117 206302844 /nfs/dbraw/zinc/30/28/44/206302844.db2.gz WKHPMWJDZLRIQJ-TXEJJXNPSA-N 1 0 321.377 2.520 20 5 DFBDRO Cc1ccnc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000267908975 206331291 /nfs/dbraw/zinc/33/12/91/206331291.db2.gz FIWDCGYBVCIJCJ-KBPBESRZSA-N 1 0 322.409 2.600 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCCn2cncn2)c2cc([N+](=O)[O-])ccc21 ZINC000618987121 399271876 /nfs/dbraw/zinc/27/18/76/399271876.db2.gz NBVIOHURCWXNIY-OAHLLOKOSA-N 1 0 315.377 2.589 20 5 DFBDRO CS[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000614822458 399272281 /nfs/dbraw/zinc/27/22/81/399272281.db2.gz NQGCAJLMHGIZIZ-VXGBXAGGSA-N 1 0 313.448 2.672 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000601302997 399273430 /nfs/dbraw/zinc/27/34/30/399273430.db2.gz AFLUPVGCRISKGJ-KGLIPLIRSA-N 1 0 304.350 2.966 20 5 DFBDRO [NH3+]C[C@H]1Cc2ccccc2N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000601336127 399278870 /nfs/dbraw/zinc/27/88/70/399278870.db2.gz XMVZQSUUVCPMRS-GFCCVEGCSA-N 1 0 315.348 2.872 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601359345 399281188 /nfs/dbraw/zinc/28/11/88/399281188.db2.gz HICMDBYHHJGAEO-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601390530 399284981 /nfs/dbraw/zinc/28/49/81/399284981.db2.gz GNKZMCBWSBTEPF-NSHDSACASA-N 1 0 323.368 2.536 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000421513435 296261887 /nfs/dbraw/zinc/26/18/87/296261887.db2.gz FFSNHNMCDARMFQ-UKRRQHHQSA-N 1 0 319.405 2.670 20 5 DFBDRO CC[NH+]1C[C@@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@H](C)C1 ZINC000421538608 296264084 /nfs/dbraw/zinc/26/40/84/296264084.db2.gz HAAINIJZBFRPJH-ZIAGYGMSSA-N 1 0 319.405 2.766 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000615038890 399294257 /nfs/dbraw/zinc/29/42/57/399294257.db2.gz SBDANIDJNHVHDB-LBPRGKRZSA-N 1 0 320.393 2.755 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601561535 399300213 /nfs/dbraw/zinc/30/02/13/399300213.db2.gz AOZQQKYQKILJRQ-LBPRGKRZSA-N 1 0 320.393 2.803 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421778398 296275001 /nfs/dbraw/zinc/27/50/01/296275001.db2.gz GCYNZSQJCKRHOS-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421781055 296275214 /nfs/dbraw/zinc/27/52/14/296275214.db2.gz XJQZGXGRPRJILI-CQSZACIVSA-N 1 0 319.405 2.625 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000421851196 296277894 /nfs/dbraw/zinc/27/78/94/296277894.db2.gz FKQIADIGQTVXHB-MGPQQGTHSA-N 1 0 319.405 2.846 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000601790826 399337251 /nfs/dbraw/zinc/33/72/51/399337251.db2.gz CQULTDLBRLBLPB-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619433845 399345603 /nfs/dbraw/zinc/34/56/03/399345603.db2.gz YZKZCOHEIFMRJC-NWDGAFQWSA-N 1 0 306.362 2.892 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000610251836 399351114 /nfs/dbraw/zinc/35/11/14/399351114.db2.gz KHDYOMCJMDTASX-XUJVJEKNSA-N 1 0 305.378 2.502 20 5 DFBDRO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000610277811 399352705 /nfs/dbraw/zinc/35/27/05/399352705.db2.gz TVCORQVMLOHVOR-AWEZNQCLSA-N 1 0 305.378 2.668 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(C2(c3ccc([N+](=O)[O-])cc3)CCC2)n1 ZINC000601924570 399358666 /nfs/dbraw/zinc/35/86/66/399358666.db2.gz BSIYATQDKGYMDJ-NSHDSACASA-N 1 0 316.361 2.598 20 5 DFBDRO NC(=O)c1ccc(C[NH+]2C3CCCC2CCC3)c([N+](=O)[O-])c1 ZINC000610395017 399363227 /nfs/dbraw/zinc/36/32/27/399363227.db2.gz JSLZVTFCBWODIQ-UHFFFAOYSA-N 1 0 303.362 2.601 20 5 DFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619599578 399366696 /nfs/dbraw/zinc/36/66/96/399366696.db2.gz NWFBRSVSWRTFIT-VXGBXAGGSA-N 1 0 306.362 2.892 20 5 DFBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619599577 399366756 /nfs/dbraw/zinc/36/67/56/399366756.db2.gz NWFBRSVSWRTFIT-RYUDHWBXSA-N 1 0 306.362 2.892 20 5 DFBDRO CCOc1cccc(N(C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000273824771 211090603 /nfs/dbraw/zinc/09/06/03/211090603.db2.gz DNQICNMBLQJNIE-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO O=[N+]([O-])c1cnccc1NC1CC[NH+](C2CCCCC2)CC1 ZINC000610469608 399370399 /nfs/dbraw/zinc/37/03/99/399370399.db2.gz IJHBWGSUORXBCS-UHFFFAOYSA-N 1 0 304.394 2.621 20 5 DFBDRO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000610476290 399370587 /nfs/dbraw/zinc/37/05/87/399370587.db2.gz WIMJQNNTHIKTRX-UHFFFAOYSA-N 1 0 324.352 2.899 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610476735 399371698 /nfs/dbraw/zinc/37/16/98/399371698.db2.gz YDMCMCRNNYSVDW-HZPDHXFCSA-N 1 0 307.369 2.793 20 5 DFBDRO COC(=O)C1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000619654491 399371863 /nfs/dbraw/zinc/37/18/63/399371863.db2.gz SMVJXQTXUONPPK-UHFFFAOYSA-N 1 0 306.362 2.726 20 5 DFBDRO CC1(C)C[NH2+]CC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000601984454 399373849 /nfs/dbraw/zinc/37/38/49/399373849.db2.gz RHQHBWBBOLWTAQ-LLVKDONJSA-N 1 0 315.377 2.728 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000345851307 284777910 /nfs/dbraw/zinc/77/79/10/284777910.db2.gz QLBSWSCFEWPNJJ-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CC[C@@H](O)C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000422089499 296298327 /nfs/dbraw/zinc/29/83/27/296298327.db2.gz USKSFPOPVSPQOC-LLVKDONJSA-N 1 0 320.345 2.724 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000610585493 399383473 /nfs/dbraw/zinc/38/34/73/399383473.db2.gz QZLDBBPTEDAAKG-DOMZBBRYSA-N 1 0 303.362 2.716 20 5 DFBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)(C)O ZINC000610585814 399384067 /nfs/dbraw/zinc/38/40/67/399384067.db2.gz FCZKGHZXOGSNMU-UHFFFAOYSA-N 1 0 307.350 2.719 20 5 DFBDRO CCOC(=O)CCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285188480 218325984 /nfs/dbraw/zinc/32/59/84/218325984.db2.gz CENMUYXEBNWHIS-UHFFFAOYSA-N 1 0 308.378 2.803 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000285212612 218336052 /nfs/dbraw/zinc/33/60/52/218336052.db2.gz DUEGYLIHGLKDKB-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619782564 399391329 /nfs/dbraw/zinc/39/13/29/399391329.db2.gz DDWFZGPWBQMFKE-AAEUAGOBSA-N 1 0 322.386 2.747 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000602116106 399397566 /nfs/dbraw/zinc/39/75/66/399397566.db2.gz JWMCQOQEHAWCIM-OCCSQVGLSA-N 1 0 305.378 2.565 20 5 DFBDRO CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268939526 207103675 /nfs/dbraw/zinc/10/36/75/207103675.db2.gz SPMLSPGPANWZAG-CQSZACIVSA-N 1 0 305.378 2.681 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000610828322 399410587 /nfs/dbraw/zinc/41/05/87/399410587.db2.gz RSDBXUJZXFWZBF-DCGLDWPTSA-N 1 0 319.405 2.811 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1C ZINC000611084538 399432756 /nfs/dbraw/zinc/43/27/56/399432756.db2.gz CMLINJQEUKHWSO-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1C ZINC000611084614 399432850 /nfs/dbraw/zinc/43/28/50/399432850.db2.gz HHVRBDSNABGXAI-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cn1nc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000611146470 399438959 /nfs/dbraw/zinc/43/89/59/399438959.db2.gz ZOOGJNGTIQWJHK-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000062010225 184201217 /nfs/dbraw/zinc/20/12/17/184201217.db2.gz LMCKNMAGTBSYQE-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO COc1ccc(C[NH+]2CCC3(CCOC3)CC2)cc1[N+](=O)[O-] ZINC000611177666 399442233 /nfs/dbraw/zinc/44/22/33/399442233.db2.gz SIWBZPRIVSIBON-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000611265608 399453660 /nfs/dbraw/zinc/45/36/60/399453660.db2.gz JGWQHBVJAZVFIN-LBPRGKRZSA-N 1 0 306.362 2.988 20 5 DFBDRO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602459929 399450723 /nfs/dbraw/zinc/45/07/23/399450723.db2.gz WWXKTQMESIFSBV-INIZCTEOSA-N 1 0 314.389 2.844 20 5 DFBDRO COc1cc(N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255921 399452640 /nfs/dbraw/zinc/45/26/40/399452640.db2.gz UMFACRWSRZLBMM-QWHCGFSZSA-N 1 0 323.368 2.806 20 5 DFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471273 399452845 /nfs/dbraw/zinc/45/28/45/399452845.db2.gz AZGZSEZXZIAWPR-GXTWGEPZSA-N 1 0 300.362 2.706 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cccn2)cc1[N+](=O)[O-] ZINC000611270126 399454138 /nfs/dbraw/zinc/45/41/38/399454138.db2.gz SNKGRXHRFRVKKY-OAHLLOKOSA-N 1 0 300.362 2.764 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000611270113 399454217 /nfs/dbraw/zinc/45/42/17/399454217.db2.gz RRIJJLIFQZPGTE-NKPXIPJASA-N 1 0 312.373 2.969 20 5 DFBDRO C[C@H]1COCCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611272442 399455550 /nfs/dbraw/zinc/45/55/50/399455550.db2.gz OIFIKDCCUXYHAR-JTQLQIEISA-N 1 0 316.304 2.807 20 5 DFBDRO CO[C@@H](C)C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000611273624 399456471 /nfs/dbraw/zinc/45/64/71/399456471.db2.gz STQJQOFIAXZZCE-LBPRGKRZSA-N 1 0 324.377 2.611 20 5 DFBDRO CC(C)(C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602509092 399463943 /nfs/dbraw/zinc/46/39/43/399463943.db2.gz GKDWVVNYEMKQSN-UHFFFAOYSA-N 1 0 306.410 2.984 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337437 399463068 /nfs/dbraw/zinc/46/30/68/399463068.db2.gz GQZCZSLHSZTUKW-RISCZKNCSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@H]([NH3+])C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000269149660 207276709 /nfs/dbraw/zinc/27/67/09/207276709.db2.gz MPAKMPDJXLDILE-JTQLQIEISA-N 1 0 317.345 2.540 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(CNCC[NH+]3CCCCCC3)nc2c1 ZINC000602512753 399464890 /nfs/dbraw/zinc/46/48/90/399464890.db2.gz UDSUPGIJPMJLLS-UHFFFAOYSA-N 1 0 318.377 2.702 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602515144 399465929 /nfs/dbraw/zinc/46/59/29/399465929.db2.gz NHVGNYQLWMTXNS-GFCCVEGCSA-N 1 0 318.377 2.700 20 5 DFBDRO CCOC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000602517299 399466473 /nfs/dbraw/zinc/46/64/73/399466473.db2.gz FXHYZPXKJHYCTM-LLVKDONJSA-N 1 0 317.345 2.950 20 5 DFBDRO CN1CCC[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602529925 399468514 /nfs/dbraw/zinc/46/85/14/399468514.db2.gz PZPAFPODDVGXSD-LBPRGKRZSA-N 1 0 317.311 2.797 20 5 DFBDRO Cc1sc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000269181094 207301038 /nfs/dbraw/zinc/30/10/38/207301038.db2.gz DNKVSMJFCHWBQI-UHFFFAOYSA-N 1 0 317.370 2.863 20 5 DFBDRO C[C@@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C[NH2+]1 ZINC000602556919 399474709 /nfs/dbraw/zinc/47/47/09/399474709.db2.gz XRPGYZAKUSEZGB-KOLCDFICSA-N 1 0 319.386 2.680 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C(C(C)C)C(C)C ZINC000611434120 399476330 /nfs/dbraw/zinc/47/63/30/399476330.db2.gz OZNFEEBVDSSTIV-UHFFFAOYSA-N 1 0 323.393 2.812 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602562925 399476677 /nfs/dbraw/zinc/47/66/77/399476677.db2.gz IJFQHEDVXBMCHO-SWLSCSKDSA-N 1 0 304.394 2.737 20 5 DFBDRO COC(C)(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602561869 399476697 /nfs/dbraw/zinc/47/66/97/399476697.db2.gz QDHYMKWGPCOGSB-UHFFFAOYSA-N 1 0 323.212 2.933 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)(C)n2cncn2)cc1[N+](=O)[O-] ZINC000602562999 399476759 /nfs/dbraw/zinc/47/67/59/399476759.db2.gz LAJHLOQGVDTMCN-STQMWFEESA-N 1 0 317.393 2.969 20 5 DFBDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563617 399477256 /nfs/dbraw/zinc/47/72/56/399477256.db2.gz NFBOOJCKQRXQJC-ZBEGNZNMSA-N 1 0 319.361 2.887 20 5 DFBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602560862 399475889 /nfs/dbraw/zinc/47/58/89/399475889.db2.gz WBQHVHFURXNATG-NKWVEPMBSA-N 1 0 323.212 2.525 20 5 DFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580031 399481412 /nfs/dbraw/zinc/48/14/12/399481412.db2.gz CCCUUWXJWMHBMF-FRRDWIJNSA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501337 399483317 /nfs/dbraw/zinc/48/33/17/399483317.db2.gz ARWAXONDGDDPHH-SMDDNHRTSA-N 1 0 309.341 2.603 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501387 399483325 /nfs/dbraw/zinc/48/33/25/399483325.db2.gz BGSVOWOKWVHLEU-NWDGAFQWSA-N 1 0 309.341 2.603 20 5 DFBDRO COc1cc(CN2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000611516670 399486427 /nfs/dbraw/zinc/48/64/27/399486427.db2.gz MKSXFZDSCKEHJK-AWEZNQCLSA-N 1 0 307.394 2.566 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CC(n2cccn2)C1 ZINC000602600241 399487246 /nfs/dbraw/zinc/48/72/46/399487246.db2.gz HDRMQGHCGXDCCE-UHFFFAOYSA-N 1 0 320.780 2.981 20 5 DFBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602604129 399487863 /nfs/dbraw/zinc/48/78/63/399487863.db2.gz WYYNNITXLJKWAX-RQJHMYQMSA-N 1 0 323.212 2.668 20 5 DFBDRO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607197 399488349 /nfs/dbraw/zinc/48/83/49/399488349.db2.gz IJFCKQWACVMNIC-CQSZACIVSA-N 1 0 314.389 2.935 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611578435 399496210 /nfs/dbraw/zinc/49/62/10/399496210.db2.gz DQQSBBYIDXPYPP-CYBMUJFWSA-N 1 0 316.304 2.677 20 5 DFBDRO CCC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602637236 399499191 /nfs/dbraw/zinc/49/91/91/399499191.db2.gz KLUQEIXDZSPHSF-UHFFFAOYSA-N 1 0 306.410 2.984 20 5 DFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000269274707 207420285 /nfs/dbraw/zinc/42/02/85/207420285.db2.gz NZRVSEKIPYBBAX-LLVKDONJSA-N 1 0 307.375 2.523 20 5 DFBDRO CN(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602659225 399506271 /nfs/dbraw/zinc/50/62/71/399506271.db2.gz KCLCAVQEVGPEAV-UHFFFAOYSA-N 1 0 305.300 2.607 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000422842595 296343034 /nfs/dbraw/zinc/34/30/34/296343034.db2.gz GBPMRWHRFKQYDH-ZIAGYGMSSA-N 1 0 319.405 2.719 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000422843343 296343116 /nfs/dbraw/zinc/34/31/16/296343116.db2.gz HYRZZYBMOFZMDH-OAHLLOKOSA-N 1 0 319.405 2.849 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@H]34)c21 ZINC000347393939 285029725 /nfs/dbraw/zinc/02/97/25/285029725.db2.gz BCHIHISJQLONEI-WCQYABFASA-N 1 0 313.361 2.577 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCO[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000119105141 194975882 /nfs/dbraw/zinc/97/58/82/194975882.db2.gz WZKVEITYIQNMQM-KBPBESRZSA-N 1 0 308.378 2.749 20 5 DFBDRO CC[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119142154 194981620 /nfs/dbraw/zinc/98/16/20/194981620.db2.gz OLCLNLPNGFEPFB-JKSUJKDBSA-N 1 0 308.378 2.831 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CCC[C@H]3CCO3)c2c1 ZINC000602669990 399512841 /nfs/dbraw/zinc/51/28/41/399512841.db2.gz MDAJRBYZCPBYPM-AWEZNQCLSA-N 1 0 303.362 2.777 20 5 DFBDRO CO[C@@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000602671153 399513376 /nfs/dbraw/zinc/51/33/76/399513376.db2.gz RBIHUTQSIMTLBH-INIZCTEOSA-N 1 0 303.362 2.633 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccco1 ZINC000119853195 195049236 /nfs/dbraw/zinc/04/92/36/195049236.db2.gz COLPJNKBTPQIMH-NSHDSACASA-N 1 0 303.318 2.695 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000294959796 533008549 /nfs/dbraw/zinc/00/85/49/533008549.db2.gz WNMJRZQRTLCKPO-LLVKDONJSA-N 1 0 323.418 2.579 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2ccnn2)CC1 ZINC000269960549 208010586 /nfs/dbraw/zinc/01/05/86/208010586.db2.gz KVJUYFOHADSZPB-ZDUSSCGKSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1cccnc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602686501 399520969 /nfs/dbraw/zinc/52/09/69/399520969.db2.gz WFVJQEHAZFUVQP-UHFFFAOYSA-N 1 0 312.329 2.772 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)O1 ZINC000602690821 399521990 /nfs/dbraw/zinc/52/19/90/399521990.db2.gz PJNSKQAETVCSFW-OUAUKWLOSA-N 1 0 305.334 2.639 20 5 DFBDRO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)CO1 ZINC000602701250 399528476 /nfs/dbraw/zinc/52/84/76/399528476.db2.gz XYQQBMDKOJIPPK-JQWIXIFHSA-N 1 0 305.334 2.735 20 5 DFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CO1 ZINC000602702196 399528999 /nfs/dbraw/zinc/52/89/99/399528999.db2.gz JBKADBICHHGSQL-NKWVEPMBSA-N 1 0 321.196 2.686 20 5 DFBDRO C[C@@H](COCC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602712832 399533824 /nfs/dbraw/zinc/53/38/24/399533824.db2.gz OOMKKDBWTYWXHB-JTQLQIEISA-N 1 0 305.334 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCN2C2CCCC2)cc1 ZINC000602723468 399539655 /nfs/dbraw/zinc/53/96/55/399539655.db2.gz BIHCPTCAXDUKPN-QGZVFWFLSA-N 1 0 303.406 2.744 20 5 DFBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000611906759 399542966 /nfs/dbraw/zinc/54/29/66/399542966.db2.gz HFCDPJNTPUEMFT-HNNXBMFYSA-N 1 0 318.377 2.849 20 5 DFBDRO C[C@]1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000273067885 210447052 /nfs/dbraw/zinc/44/70/52/210447052.db2.gz NTJRSPXFOLYYEM-HOTGVXAUSA-N 1 0 306.362 2.521 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1CCC(CCCn2ccnc2)CC1 ZINC000611932120 399546127 /nfs/dbraw/zinc/54/61/27/399546127.db2.gz QDSLUBGOSMATOV-UHFFFAOYSA-N 1 0 315.377 2.883 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000602730740 399544689 /nfs/dbraw/zinc/54/46/89/399544689.db2.gz HQTSKGAEURIQRK-OCCSQVGLSA-N 1 0 300.362 2.819 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2sccc2[C@H]1C ZINC000611939924 399546741 /nfs/dbraw/zinc/54/67/41/399546741.db2.gz WFSXMFHNULYGSR-SNVBAGLBSA-N 1 0 306.391 2.781 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000273020375 210399344 /nfs/dbraw/zinc/39/93/44/210399344.db2.gz DMLZGUQWNPMRNF-CQSZACIVSA-N 1 0 320.389 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H](O)C3)o2)cc1 ZINC000158760066 197298885 /nfs/dbraw/zinc/29/88/85/197298885.db2.gz GXQCZJUFPHZTBJ-AWEZNQCLSA-N 1 0 302.330 2.812 20 5 DFBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000120240275 195125343 /nfs/dbraw/zinc/12/53/43/195125343.db2.gz ZNUOCKCLAMXDTP-CYBMUJFWSA-N 1 0 307.394 2.924 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000602764205 399560735 /nfs/dbraw/zinc/56/07/35/399560735.db2.gz UYUVRIFQCYQVAE-CYBMUJFWSA-N 1 0 306.391 2.998 20 5 DFBDRO C[N@H+](CCc1nccs1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000157933352 197228695 /nfs/dbraw/zinc/22/86/95/197228695.db2.gz YEPMNGPLFKHCLB-UHFFFAOYSA-N 1 0 318.358 2.867 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])cn1 ZINC000347755356 285160819 /nfs/dbraw/zinc/16/08/19/285160819.db2.gz OXGRKPYZIDARMA-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO Cc1cnc(CC[N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000157838199 197219277 /nfs/dbraw/zinc/21/92/77/197219277.db2.gz DLVJDLGRTYGANR-CQSZACIVSA-N 1 0 321.402 2.568 20 5 DFBDRO Cc1ccccc1[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157737528 197211720 /nfs/dbraw/zinc/21/17/20/197211720.db2.gz OPIYZIOINLOADS-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCSC[C@@H]2c2ccccc2)n1 ZINC000176246629 285167920 /nfs/dbraw/zinc/16/79/20/285167920.db2.gz USRUGCHXKPQFDM-CQSZACIVSA-N 1 0 318.402 2.581 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1cccc(F)c1F)CC2 ZINC000347788927 285174896 /nfs/dbraw/zinc/17/48/96/285174896.db2.gz KLUQQLDZNGMIEI-UHFFFAOYSA-N 1 0 319.311 2.869 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220059 296393595 /nfs/dbraw/zinc/39/35/95/296393595.db2.gz XVFXAKZJYDYSFF-STQMWFEESA-N 1 0 307.394 2.644 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000249292488 285177023 /nfs/dbraw/zinc/17/70/23/285177023.db2.gz PYMZOWYOQREYMF-CMPLNLGQSA-N 1 0 308.407 2.504 20 5 DFBDRO CSc1ccccc1C[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602819241 399587237 /nfs/dbraw/zinc/58/72/37/399587237.db2.gz BPRSGZBAEPZPAZ-UHFFFAOYSA-N 1 0 320.418 2.954 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000602818942 399587542 /nfs/dbraw/zinc/58/75/42/399587542.db2.gz OMFVECLSATWJJN-UHFFFAOYSA-N 1 0 312.373 2.647 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000156056229 197083422 /nfs/dbraw/zinc/08/34/22/197083422.db2.gz PDNFXAHXOHOTGY-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1C ZINC000347878466 285221546 /nfs/dbraw/zinc/22/15/46/285221546.db2.gz MMVJYPDQNURXDD-NSHDSACASA-N 1 0 317.345 2.571 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000602850614 399602519 /nfs/dbraw/zinc/60/25/19/399602519.db2.gz RDYSKSSQPVWXHT-WDEREUQCSA-N 1 0 320.315 2.810 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000602866731 399608869 /nfs/dbraw/zinc/60/88/69/399608869.db2.gz UFKWOKOKOGLRDD-JSGCOSHPSA-N 1 0 301.350 2.503 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000602868282 399609777 /nfs/dbraw/zinc/60/97/77/399609777.db2.gz VOYGZMVFQHLNHK-ZDUSSCGKSA-N 1 0 314.389 2.762 20 5 DFBDRO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744506 224205976 /nfs/dbraw/zinc/20/59/76/224205976.db2.gz LOFSAFOAYVWCQL-FPMFFAJLSA-N 1 0 306.410 2.700 20 5 DFBDRO C[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(C)(C)C ZINC000602872969 399611317 /nfs/dbraw/zinc/61/13/17/399611317.db2.gz FOWHEYCMSVKECO-INIZCTEOSA-N 1 0 305.422 2.799 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890388 399617033 /nfs/dbraw/zinc/61/70/33/399617033.db2.gz XWMRKYJSGBHONJ-ZIAGYGMSSA-N 1 0 315.377 2.975 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890385 399617353 /nfs/dbraw/zinc/61/73/53/399617353.db2.gz XWMRKYJSGBHONJ-KBPBESRZSA-N 1 0 315.377 2.975 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1ccnc1 ZINC000271598816 209046038 /nfs/dbraw/zinc/04/60/38/209046038.db2.gz AGCYIQLZTUTTDD-UHFFFAOYSA-N 1 0 318.377 2.712 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000347994464 285288795 /nfs/dbraw/zinc/28/87/95/285288795.db2.gz WPGSGGPFWGRUGV-OAHLLOKOSA-N 1 0 319.405 2.760 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423614058 296433621 /nfs/dbraw/zinc/43/36/21/296433621.db2.gz WRDVCGLHTKTWDJ-HNNXBMFYSA-N 1 0 319.405 2.720 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423626603 296434995 /nfs/dbraw/zinc/43/49/95/296434995.db2.gz SQUSUKGECODEDT-DGCLKSJQSA-N 1 0 305.378 2.589 20 5 DFBDRO CC[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000289676208 221146519 /nfs/dbraw/zinc/14/65/19/221146519.db2.gz CEGSMKIOPUIOSI-HNNXBMFYSA-N 1 0 318.377 2.510 20 5 DFBDRO Cc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000289703063 221165552 /nfs/dbraw/zinc/16/55/52/221165552.db2.gz ORQUSLQFULBLLG-GDBMZVCRSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000289840739 221263344 /nfs/dbraw/zinc/26/33/44/221263344.db2.gz PIXKVNQIDMBKRM-ZBFHGGJFSA-N 1 0 303.406 2.962 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289897836 221301764 /nfs/dbraw/zinc/30/17/64/221301764.db2.gz WQLNVLJLLMMDCQ-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO Cc1nn(C(C)C)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289930455 221324350 /nfs/dbraw/zinc/32/43/50/221324350.db2.gz WKZKXLFZWJXPLI-UHFFFAOYSA-N 1 0 317.393 2.646 20 5 DFBDRO Cc1cnn([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000289978010 221356476 /nfs/dbraw/zinc/35/64/76/221356476.db2.gz RNGOQNDPEADALT-OAHLLOKOSA-N 1 0 300.362 2.855 20 5 DFBDRO Cc1cc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000290009728 221378136 /nfs/dbraw/zinc/37/81/36/221378136.db2.gz DSDYBZFSTFCNLH-GFCCVEGCSA-N 1 0 308.382 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1 ZINC000602997249 399654726 /nfs/dbraw/zinc/65/47/26/399654726.db2.gz GIZLUFQMWQDKSR-BBWFWOEESA-N 1 0 304.390 2.763 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966912 399642757 /nfs/dbraw/zinc/64/27/57/399642757.db2.gz VHELMFNPWDKNEO-CQSZACIVSA-N 1 0 322.405 2.503 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc(C[NH2+]C2CCCC2)nn1 ZINC000603185594 399704961 /nfs/dbraw/zinc/70/49/61/399704961.db2.gz JXVWUKGOWKOPGM-GFCCVEGCSA-N 1 0 315.377 2.828 20 5 DFBDRO Cc1c(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000423813226 296452246 /nfs/dbraw/zinc/45/22/46/296452246.db2.gz RVBXNQWTORDPKG-LBPRGKRZSA-N 1 0 319.405 2.545 20 5 DFBDRO COC(=O)C1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000320013285 533281760 /nfs/dbraw/zinc/28/17/60/533281760.db2.gz RLSAWJVIIMMNSM-UHFFFAOYSA-N 1 0 306.362 2.725 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294792202 533429816 /nfs/dbraw/zinc/42/98/16/533429816.db2.gz OKTZVTJBBLNWOI-IUODEOHRSA-N 1 0 315.373 2.604 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000293022572 533559992 /nfs/dbraw/zinc/55/99/92/533559992.db2.gz KQWMDNUTXQCYBG-KRWDZBQOSA-N 1 0 322.405 2.834 20 5 DFBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120977125 542581568 /nfs/dbraw/zinc/58/15/68/542581568.db2.gz OSZDOTZAWUSPRD-FZMZJTMJSA-N 1 0 319.405 2.998 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC(F)(F)F ZINC000603427536 399774372 /nfs/dbraw/zinc/77/43/72/399774372.db2.gz MZVQZKOVGLFGMA-DUWGPSABSA-N 1 0 318.295 2.901 20 5 DFBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603437492 399776285 /nfs/dbraw/zinc/77/62/85/399776285.db2.gz NPLTZMQSGFDMDD-QUCGXOGASA-N 1 0 316.304 2.613 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423975530 296470706 /nfs/dbraw/zinc/47/07/06/296470706.db2.gz CZLZGRKTGCJADZ-CQSZACIVSA-N 1 0 307.394 2.821 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423989014 296472570 /nfs/dbraw/zinc/47/25/70/296472570.db2.gz BAYLARUKKXGAFB-TZMCWYRMSA-N 1 0 319.405 2.775 20 5 DFBDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000287307243 131274496 /nfs/dbraw/zinc/27/44/96/131274496.db2.gz VZYVUCSIOSKOAS-LBPRGKRZSA-N 1 0 323.396 2.774 20 5 DFBDRO CCOC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000348473005 285560074 /nfs/dbraw/zinc/56/00/74/285560074.db2.gz ZHWCXRRWYZLXOA-CQSZACIVSA-N 1 0 306.366 2.622 20 5 DFBDRO C[N@H+](CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000209843913 542869424 /nfs/dbraw/zinc/86/94/24/542869424.db2.gz DCGDGXZPQQASGH-KHPPLWFESA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)[N@H+]1C ZINC000292712547 543016299 /nfs/dbraw/zinc/01/62/99/543016299.db2.gz GWGJJTOXBTZXSO-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(O)CCCCC2)n1 ZINC000332068148 296518334 /nfs/dbraw/zinc/51/83/34/296518334.db2.gz URQKHXPLUJBCLS-UONOGXRCSA-N 1 0 322.409 2.560 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cccnc1[N+](=O)[O-] ZINC000309807185 543065369 /nfs/dbraw/zinc/06/53/69/543065369.db2.gz LPUDVHYGZCSNLT-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000613285980 399840837 /nfs/dbraw/zinc/84/08/37/399840837.db2.gz DUCLYLCILNCRAA-LLVKDONJSA-N 1 0 312.341 2.601 20 5 DFBDRO [NH3+]CCN(Cc1cc(F)ccc1F)c1ccccc1[N+](=O)[O-] ZINC000348896923 285715559 /nfs/dbraw/zinc/71/55/59/285715559.db2.gz UYSXEOVZAXUDNP-UHFFFAOYSA-N 1 0 307.300 2.838 20 5 DFBDRO [NH3+]CCN(Cc1ncc(Cl)s1)c1ccccc1[N+](=O)[O-] ZINC000348888585 285713317 /nfs/dbraw/zinc/71/33/17/285713317.db2.gz APJCERPEMVXXHG-UHFFFAOYSA-N 1 0 312.782 2.670 20 5 DFBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)c1 ZINC000604557739 399855564 /nfs/dbraw/zinc/85/55/64/399855564.db2.gz GJVUHSHNATVNST-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339678530 543146299 /nfs/dbraw/zinc/14/62/99/543146299.db2.gz MWMUGOWFJDPPDI-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000052661921 425885424 /nfs/dbraw/zinc/88/54/24/425885424.db2.gz VYOYAYTVLUWZOI-CYBMUJFWSA-N 1 0 320.393 2.981 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCCC1 ZINC000052908437 425886276 /nfs/dbraw/zinc/88/62/76/425886276.db2.gz CUSJGTUDRVFYAD-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000153805929 145215339 /nfs/dbraw/zinc/21/53/39/145215339.db2.gz FSFPZDUFCQWTED-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172511298 145305360 /nfs/dbraw/zinc/30/53/60/145305360.db2.gz LAXHJSVJZSGUQZ-UHFFFAOYSA-N 1 0 323.780 2.559 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173053042 145331307 /nfs/dbraw/zinc/33/13/07/145331307.db2.gz WHSMKTMADFBMLH-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000174133628 145368542 /nfs/dbraw/zinc/36/85/42/145368542.db2.gz TWLXZHOBFUEHIC-GOEBONIOSA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCOCC3CC3)CC2)cc1 ZINC000174246227 145373620 /nfs/dbraw/zinc/37/36/20/145373620.db2.gz BQSLPPQDEQHGDO-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO C[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000178567626 145526039 /nfs/dbraw/zinc/52/60/39/145526039.db2.gz ADXLBEMQSRYFCL-GFCCVEGCSA-N 1 0 317.389 2.510 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237665079 146050600 /nfs/dbraw/zinc/05/06/00/146050600.db2.gz ZFJTYNRALAYTAK-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000245492756 146078063 /nfs/dbraw/zinc/07/80/63/146078063.db2.gz KBRZQQYNCZNHQP-SWLSCSKDSA-N 1 0 320.393 2.789 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H](C)C[S@](C)=O ZINC000251503040 146213148 /nfs/dbraw/zinc/21/31/48/146213148.db2.gz FSVBKJUCJUXUOX-ZNLKAECVSA-N 1 0 312.435 2.615 20 5 DFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261623360 146248074 /nfs/dbraw/zinc/24/80/74/146248074.db2.gz CEDPPYIXJAEQED-UWVGGRQHSA-N 1 0 319.386 2.619 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC12CCCCC2 ZINC000261679104 146258185 /nfs/dbraw/zinc/25/81/85/146258185.db2.gz HVGUXOVIEMAPSI-UHFFFAOYSA-N 1 0 319.405 2.712 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261682070 146259479 /nfs/dbraw/zinc/25/94/79/146259479.db2.gz IIFSUEZAYSNOIL-MRXNPFEDSA-N 1 0 317.389 2.507 20 5 DFBDRO COCC1(CNc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000261682981 146259781 /nfs/dbraw/zinc/25/97/81/146259781.db2.gz MRYZNAZDFZINPY-UHFFFAOYSA-N 1 0 313.785 2.676 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CC[NH2+]Cc2ccccc21 ZINC000261839651 146287143 /nfs/dbraw/zinc/28/71/43/146287143.db2.gz CIMULIZTIAYCTO-UHFFFAOYSA-N 1 0 301.321 2.844 20 5 DFBDRO Cc1c(CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000261892797 146296168 /nfs/dbraw/zinc/29/61/68/146296168.db2.gz NZQXBMFTNUYJDR-TZMCWYRMSA-N 1 0 319.405 2.545 20 5 DFBDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc([N+](=O)[O-])c1 ZINC000261967600 146311668 /nfs/dbraw/zinc/31/16/68/146311668.db2.gz YOZGFIFKSVMAJJ-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000261984092 146315480 /nfs/dbraw/zinc/31/54/80/146315480.db2.gz RYCRSEZJRUFDHH-VXGBXAGGSA-N 1 0 300.362 2.707 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000261983951 146315930 /nfs/dbraw/zinc/31/59/30/146315930.db2.gz RVMCBZCCBDHANO-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000262037666 146326333 /nfs/dbraw/zinc/32/63/33/146326333.db2.gz ZWJYCBNLQVUDAU-NEPJUHHUSA-N 1 0 300.362 2.943 20 5 DFBDRO CC1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262487005 146363081 /nfs/dbraw/zinc/36/30/81/146363081.db2.gz KOOZLKNDVXPPGB-UHFFFAOYSA-N 1 0 318.299 2.810 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000262485770 146363784 /nfs/dbraw/zinc/36/37/84/146363784.db2.gz KIEOBMYTESJQCK-CQSZACIVSA-N 1 0 318.764 2.942 20 5 DFBDRO C[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262618352 146377391 /nfs/dbraw/zinc/37/73/91/146377391.db2.gz FAOHGJYWGPZONC-CHWSQXEVSA-N 1 0 317.389 2.510 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383578 147016793 /nfs/dbraw/zinc/01/67/93/147016793.db2.gz AOFSBUGZYORIKW-ZFWWWQNUSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000354414910 147028592 /nfs/dbraw/zinc/02/85/92/147028592.db2.gz ZEZIFKQVDJAGMQ-MNOVXSKESA-N 1 0 311.407 2.601 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000354648054 147103682 /nfs/dbraw/zinc/10/36/82/147103682.db2.gz VGYPSBDLUQKSSQ-UHFFFAOYSA-N 1 0 302.378 2.784 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2ccncc2)ccc1[N+](=O)[O-] ZINC000354880571 147187704 /nfs/dbraw/zinc/18/77/04/147187704.db2.gz RZOUCJIREHJTDS-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000349857176 285958130 /nfs/dbraw/zinc/95/81/30/285958130.db2.gz UCLQLZAARZMINL-HOTGVXAUSA-N 1 0 310.394 2.812 20 5 DFBDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000357108234 147865339 /nfs/dbraw/zinc/86/53/39/147865339.db2.gz GWENCSLFEDZBDN-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000357666927 148076325 /nfs/dbraw/zinc/07/63/25/148076325.db2.gz RTUVGAAVDNKZAS-DGCLKSJQSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1cc2[nH]c(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc2c(C)c1 ZINC000359002888 148513745 /nfs/dbraw/zinc/51/37/45/148513745.db2.gz QPGRMFTXQOVXFB-UHFFFAOYSA-N 1 0 313.361 2.679 20 5 DFBDRO COc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000360746499 148925568 /nfs/dbraw/zinc/92/55/68/148925568.db2.gz HTAPMMYZJOVDRI-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO CO[C@](C)(C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000361010663 149006938 /nfs/dbraw/zinc/00/69/38/149006938.db2.gz QKOYDRQJCOSVNV-SQWLQELKSA-N 1 0 322.409 2.680 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000361057380 149019161 /nfs/dbraw/zinc/01/91/61/149019161.db2.gz LYZQUXZJCINCMR-ZDUSSCGKSA-N 1 0 309.414 2.652 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@H](C)[NH+]1CCCCC1 ZINC000361059236 149019549 /nfs/dbraw/zinc/01/95/49/149019549.db2.gz RKKUJAPLZSEBRZ-LBPRGKRZSA-N 1 0 309.414 2.796 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CC(N)=O)c1ccccc1 ZINC000361469535 149124529 /nfs/dbraw/zinc/12/45/29/149124529.db2.gz MUGUDVQTRDMZKE-MRXNPFEDSA-N 1 0 313.357 2.643 20 5 DFBDRO C[C@@H](CO)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361502233 149133511 /nfs/dbraw/zinc/13/35/11/149133511.db2.gz VQEOFHYWJHANTF-AWEZNQCLSA-N 1 0 322.405 2.847 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516557 149136674 /nfs/dbraw/zinc/13/66/74/149136674.db2.gz RIWPDSQAGPPKDD-HUUCEWRRSA-N 1 0 318.377 2.685 20 5 DFBDRO O=C(C[N@H+](CC1CC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000361586610 149157412 /nfs/dbraw/zinc/15/74/12/149157412.db2.gz SXNZDFCMGUDYPP-UHFFFAOYSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1noc([C@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000361610284 149167181 /nfs/dbraw/zinc/16/71/81/149167181.db2.gz MALUTEQJWKRPCB-MNOVXSKESA-N 1 0 304.350 2.958 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1CO ZINC000361661701 149185375 /nfs/dbraw/zinc/18/53/75/149185375.db2.gz OGRWJAIURZQBTD-GXTWGEPZSA-N 1 0 316.357 2.915 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C(F)F)CC1 ZINC000361690466 149193239 /nfs/dbraw/zinc/19/32/39/149193239.db2.gz XUCYHKLAAWSAOH-UHFFFAOYSA-N 1 0 300.305 2.951 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)cc1 ZINC000361902181 149251601 /nfs/dbraw/zinc/25/16/01/149251601.db2.gz YXKIXQWJZXXACB-UHFFFAOYSA-N 1 0 323.356 2.712 20 5 DFBDRO Cc1ccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000362618145 149325568 /nfs/dbraw/zinc/32/55/68/149325568.db2.gz WLXKXEBUXLBYKY-LZWOXQAQSA-N 1 0 317.389 2.522 20 5 DFBDRO Cc1cc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cs1 ZINC000372274738 150156819 /nfs/dbraw/zinc/15/68/19/150156819.db2.gz SHAAKVHJHKXUEL-NSHDSACASA-N 1 0 306.391 2.688 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000372810250 150187478 /nfs/dbraw/zinc/18/74/78/150187478.db2.gz OURQXHUIGIBEHV-BBRMVZONSA-N 1 0 306.362 2.651 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000372867828 150195205 /nfs/dbraw/zinc/19/52/05/150195205.db2.gz IKKHKFYQTUVLGC-XVJNWHFHSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)n1 ZINC000372896743 150198027 /nfs/dbraw/zinc/19/80/27/150198027.db2.gz GFXPSSHMMWYTOP-CABCVRRESA-N 1 0 318.352 2.856 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000372896744 150198597 /nfs/dbraw/zinc/19/85/97/150198597.db2.gz GFXPSSHMMWYTOP-GJZGRUSLSA-N 1 0 318.352 2.856 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000372899817 150199812 /nfs/dbraw/zinc/19/98/12/150199812.db2.gz APIFFVFOITXHSU-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000372977084 150211045 /nfs/dbraw/zinc/21/10/45/150211045.db2.gz IXYXFGAXZOPWQQ-HOCLYGCPSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]1C[C@@H](c2cccs2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064868 150301129 /nfs/dbraw/zinc/30/11/29/150301129.db2.gz KTUCZSRYSILOFF-VXGBXAGGSA-N 1 0 306.391 2.731 20 5 DFBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000351738036 286206881 /nfs/dbraw/zinc/20/68/81/286206881.db2.gz VJCXALZIWVVSJQ-UWVGGRQHSA-N 1 0 300.305 2.778 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]3COCC[C@@H]32)c(F)c1 ZINC000351881548 286236270 /nfs/dbraw/zinc/23/62/70/286236270.db2.gz NCYNECCJZIWCMB-BONVTDFDSA-N 1 0 312.316 2.874 20 5 DFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000352012510 286269479 /nfs/dbraw/zinc/26/94/79/286269479.db2.gz FSPWFKIZLQMRCX-LLVKDONJSA-N 1 0 311.332 2.542 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000352392654 286362052 /nfs/dbraw/zinc/36/20/52/286362052.db2.gz VLDCESUUIGUIIQ-AWEZNQCLSA-N 1 0 316.361 2.555 20 5 DFBDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407827 286365959 /nfs/dbraw/zinc/36/59/59/286365959.db2.gz SBZBREWNGQNYJK-KGLIPLIRSA-N 1 0 300.305 2.514 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000352794314 286469851 /nfs/dbraw/zinc/46/98/51/286469851.db2.gz RIEOLYMHHUCVFA-LDYMZIIASA-N 1 0 300.355 2.584 20 5 DFBDRO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000428754832 296715639 /nfs/dbraw/zinc/71/56/39/296715639.db2.gz VYQQYOMBZIKQSX-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCN2CCC2)c2ccccc2)c1 ZINC000352932327 286506108 /nfs/dbraw/zinc/50/61/08/286506108.db2.gz YHCMKAWFPFBCBW-GOSISDBHSA-N 1 0 311.385 2.980 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000429685934 296754800 /nfs/dbraw/zinc/75/48/00/296754800.db2.gz XTONKRRQJMRTHJ-LSDHHAIUSA-N 1 0 319.405 2.851 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184739791 158037556 /nfs/dbraw/zinc/03/75/56/158037556.db2.gz WQRDGRWZLHTBQJ-JKNJVXJCSA-N 1 0 303.406 2.880 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@@H](c2ccco2)C1 ZINC000246277955 158084107 /nfs/dbraw/zinc/08/41/07/158084107.db2.gz WOQQGEOJSXOIIJ-CHWSQXEVSA-N 1 0 304.350 2.858 20 5 DFBDRO Cc1ccc(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000247412186 158133579 /nfs/dbraw/zinc/13/35/79/158133579.db2.gz ZHFPIUVZHBFZRX-TZMCWYRMSA-N 1 0 318.377 2.604 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000247741646 158149844 /nfs/dbraw/zinc/14/98/44/158149844.db2.gz WZVNPBJXCZVVGG-VXGBXAGGSA-N 1 0 323.393 2.908 20 5 DFBDRO COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248131914 158161541 /nfs/dbraw/zinc/16/15/41/158161541.db2.gz ONRBCXOJFWUGSJ-LSDHHAIUSA-N 1 0 319.405 2.520 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248325497 158166654 /nfs/dbraw/zinc/16/66/54/158166654.db2.gz BHODFJLEBQVEQR-UKRRQHHQSA-N 1 0 310.394 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000301558037 158220006 /nfs/dbraw/zinc/22/00/06/158220006.db2.gz SVHUDKPLADQPQE-UHFFFAOYSA-N 1 0 318.352 2.981 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000353903858 158232379 /nfs/dbraw/zinc/23/23/79/158232379.db2.gz KIJUKIDUZVXCOX-BXUZGUMPSA-N 1 0 320.393 2.761 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000355056537 158263418 /nfs/dbraw/zinc/26/34/18/158263418.db2.gz KMHAMEJLEKAOKC-GFCCVEGCSA-N 1 0 318.377 2.620 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000355133392 158281945 /nfs/dbraw/zinc/28/19/45/158281945.db2.gz LVXCHZGFCNTZRV-BBRMVZONSA-N 1 0 320.389 2.994 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@H]1C ZINC000355156701 158287405 /nfs/dbraw/zinc/28/74/05/158287405.db2.gz FFLOIIAUEPJMSY-WHOFXGATSA-N 1 0 320.389 2.971 20 5 DFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355162016 158288532 /nfs/dbraw/zinc/28/85/32/158288532.db2.gz KPKJQFGYMUQBRT-YPMHNXCESA-N 1 0 318.377 2.766 20 5 DFBDRO CCOc1cc(N(C)[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000356748270 158312021 /nfs/dbraw/zinc/31/20/21/158312021.db2.gz VDFHVKGTQDMHHD-CQSZACIVSA-N 1 0 305.378 2.666 20 5 DFBDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccccc1[N+](=O)[O-] ZINC000266877957 287012136 /nfs/dbraw/zinc/01/21/36/287012136.db2.gz ORKBULJWVOQAAO-GFCCVEGCSA-N 1 0 306.362 2.931 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000053204891 425887065 /nfs/dbraw/zinc/88/70/65/425887065.db2.gz BMDPYUNYZFYJTG-JTQLQIEISA-N 1 0 314.183 2.546 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561291 287231895 /nfs/dbraw/zinc/23/18/95/287231895.db2.gz IMVIKHMPGLXERZ-YPMHNXCESA-N 1 0 320.349 2.566 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280927 287232038 /nfs/dbraw/zinc/23/20/38/287232038.db2.gz OUQMYMZNIAHNMC-CABCVRRESA-N 1 0 317.389 2.860 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH+](CC2CC2)CC1 ZINC000130644589 196097623 /nfs/dbraw/zinc/09/76/23/196097623.db2.gz XKYUOGKMKOHFIZ-HWKANZROSA-N 1 0 301.390 2.636 20 5 DFBDRO CC(C)[NH+](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000054057718 425889292 /nfs/dbraw/zinc/88/92/92/425889292.db2.gz BCFJMMZIIOLVRG-UHFFFAOYSA-N 1 0 311.357 2.583 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000131182397 196147790 /nfs/dbraw/zinc/14/77/90/196147790.db2.gz VLDWMWQAHNWJCC-CQSZACIVSA-N 1 0 319.386 2.655 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132424485 196254663 /nfs/dbraw/zinc/25/46/63/196254663.db2.gz RUMBADUZCATMKH-CQSZACIVSA-N 1 0 308.378 2.909 20 5 DFBDRO CO[C@]1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000433244082 296902641 /nfs/dbraw/zinc/90/26/41/296902641.db2.gz XPRBUVZFGKBOJO-WBVHZDCISA-N 1 0 320.389 2.712 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000433430364 296911306 /nfs/dbraw/zinc/91/13/06/296911306.db2.gz JPZMZWRPSRUEIY-UHFFFAOYSA-N 1 0 300.362 2.558 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293901727 292583991 /nfs/dbraw/zinc/58/39/91/292583991.db2.gz KGSGXPJYHYWCHE-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000296694182 226130851 /nfs/dbraw/zinc/13/08/51/226130851.db2.gz MCTMDZHBNRIMNX-WBVHZDCISA-N 1 0 314.341 2.611 20 5 DFBDRO Cc1nn(C)c(NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000299392591 229093778 /nfs/dbraw/zinc/09/37/78/229093778.db2.gz ZKPLOOWTXNKWMU-CQSZACIVSA-N 1 0 317.393 2.660 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000299618298 229268035 /nfs/dbraw/zinc/26/80/35/229268035.db2.gz JPGVFZVPMLNCKI-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301728721 229856495 /nfs/dbraw/zinc/85/64/95/229856495.db2.gz BYNWAPTYCCTPMH-HNNXBMFYSA-N 1 0 319.405 2.676 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)cc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000302038749 230055945 /nfs/dbraw/zinc/05/59/45/230055945.db2.gz MYBHQFHPEUNMQM-HNNXBMFYSA-N 1 0 319.405 2.764 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC2([NH+]3CCCCC3)CCCCC2)nc1 ZINC000302153839 230128442 /nfs/dbraw/zinc/12/84/42/230128442.db2.gz LOWHRGOIQVKGBX-UHFFFAOYSA-N 1 0 319.409 2.986 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055405446 425893535 /nfs/dbraw/zinc/89/35/35/425893535.db2.gz ZMSUVFVMWFUARS-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000055405448 425893576 /nfs/dbraw/zinc/89/35/76/425893576.db2.gz ZMSUVFVMWFUARS-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063193124 425900303 /nfs/dbraw/zinc/90/03/03/425900303.db2.gz PWCUQFUJWPUQLF-CABZTGNLSA-N 1 0 311.769 2.590 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000067235449 425909366 /nfs/dbraw/zinc/90/93/66/425909366.db2.gz GWZUDHKRYINNIX-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000067269710 425909533 /nfs/dbraw/zinc/90/95/33/425909533.db2.gz ANTZSZGUOOHWPM-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000067570915 425911380 /nfs/dbraw/zinc/91/13/80/425911380.db2.gz NEASNDJQRUWJHD-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000124453450 425919548 /nfs/dbraw/zinc/91/95/48/425919548.db2.gz ZWKDHPLVZNNQNM-CQSZACIVSA-N 1 0 319.405 2.693 20 5 DFBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000068829443 425922657 /nfs/dbraw/zinc/92/26/57/425922657.db2.gz HNOPLUMTKJMVEP-ZDUSSCGKSA-N 1 0 317.389 2.606 20 5 DFBDRO Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000068937152 425925679 /nfs/dbraw/zinc/92/56/79/425925679.db2.gz OQBFXYOXRQJVFJ-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CCN(CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000155823198 425927863 /nfs/dbraw/zinc/92/78/63/425927863.db2.gz WNESBYFCLKQXCN-KRWDZBQOSA-N 1 0 317.433 2.990 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000156777350 425935842 /nfs/dbraw/zinc/93/58/42/425935842.db2.gz GKONZRHKEAWHKS-UHFFFAOYSA-N 1 0 313.785 2.660 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)C1 ZINC000026159380 267385974 /nfs/dbraw/zinc/38/59/74/267385974.db2.gz ZONYAYUDUWNVJU-GFCCVEGCSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177528515 267645212 /nfs/dbraw/zinc/64/52/12/267645212.db2.gz ANTOIKXDXUEZRI-OKILXGFUSA-N 1 0 317.389 2.964 20 5 DFBDRO CCC[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000186324914 267812824 /nfs/dbraw/zinc/81/28/24/267812824.db2.gz KFSZYBYKPAUEPE-CYBMUJFWSA-N 1 0 313.785 2.595 20 5 DFBDRO CC(C)[NH+](CCNc1nc2sccn2c1[N+](=O)[O-])C(C)C ZINC000029165853 425824293 /nfs/dbraw/zinc/82/42/93/425824293.db2.gz QVZDDEUXRMYXDV-UHFFFAOYSA-N 1 0 311.411 2.835 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cs1 ZINC000037648547 425848963 /nfs/dbraw/zinc/84/89/63/425848963.db2.gz AAZIINQVWKCWNH-VIFPVBQESA-N 1 0 323.340 2.630 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000037647634 425848982 /nfs/dbraw/zinc/84/89/82/425848982.db2.gz CFUOCBAKCGPOGJ-SECBINFHSA-N 1 0 303.284 2.977 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000042243604 425853087 /nfs/dbraw/zinc/85/30/87/425853087.db2.gz NNOZQELOPAGISQ-AWEZNQCLSA-N 1 0 317.389 2.748 20 5 DFBDRO COc1cc(C[NH2+]CC2(SC)CC2)c([N+](=O)[O-])cc1OC ZINC000193661318 268076040 /nfs/dbraw/zinc/07/60/40/268076040.db2.gz FQCUYADEDWPPFS-UHFFFAOYSA-N 1 0 312.391 2.597 20 5 DFBDRO CCCN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000236830646 268151761 /nfs/dbraw/zinc/15/17/61/268151761.db2.gz VCUDSYMLBORPTD-BQYQJAHWSA-N 1 0 317.389 2.599 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000237870337 268160571 /nfs/dbraw/zinc/16/05/71/268160571.db2.gz ANZWWUMCEDORAM-UONOGXRCSA-N 1 0 305.378 2.509 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000249764367 268167304 /nfs/dbraw/zinc/16/73/04/268167304.db2.gz ZMSUVFVMWFUARS-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C ZINC000263794600 268171845 /nfs/dbraw/zinc/17/18/45/268171845.db2.gz ONKDYOHBIWILJQ-NSHDSACASA-N 1 0 323.393 2.908 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270692402 268201608 /nfs/dbraw/zinc/20/16/08/268201608.db2.gz GFAVNIQVIRBUPF-OCCSQVGLSA-N 1 0 323.780 2.605 20 5 DFBDRO CCC[N@H+](CC)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270779102 268215809 /nfs/dbraw/zinc/21/58/09/268215809.db2.gz OGOGYHNOQRDGIM-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO Cc1ccnc(N2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000270973768 268243273 /nfs/dbraw/zinc/24/32/73/268243273.db2.gz QQWVVOXAKRCCEP-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447294 268249257 /nfs/dbraw/zinc/24/92/57/268249257.db2.gz CJCHSMZHKXFNKQ-VXGBXAGGSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+]2CCCC2)o1 ZINC000273611882 268254914 /nfs/dbraw/zinc/25/49/14/268254914.db2.gz MGJWGUGCFDOMMY-CYBMUJFWSA-N 1 0 317.349 2.535 20 5 DFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000274252474 268257483 /nfs/dbraw/zinc/25/74/83/268257483.db2.gz YXLGETOLPZRXLS-GMTAPVOTSA-N 1 0 307.350 2.500 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000276446212 268262613 /nfs/dbraw/zinc/26/26/13/268262613.db2.gz VWXXMUGPRSBANZ-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO COc1cccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c1[N+](=O)[O-] ZINC000278172917 268266836 /nfs/dbraw/zinc/26/68/36/268266836.db2.gz PDSMIXULTVXRPI-CYBMUJFWSA-N 1 0 323.393 2.516 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1C(F)(F)F ZINC000319883770 268347221 /nfs/dbraw/zinc/34/72/21/268347221.db2.gz JJRMJNJHVSHVGV-VHSXEESVSA-N 1 0 315.295 2.659 20 5 DFBDRO C[C@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[S@](C)=O ZINC000332721901 268364201 /nfs/dbraw/zinc/36/42/01/268364201.db2.gz SAGUEJZOHDLRNC-JSKPFOEOSA-N 1 0 310.419 2.719 20 5 DFBDRO CC[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000125774299 425990156 /nfs/dbraw/zinc/99/01/56/425990156.db2.gz YRMQWXGTCQHQDA-NSHDSACASA-N 1 0 302.334 2.877 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000336849944 268439099 /nfs/dbraw/zinc/43/90/99/268439099.db2.gz UVSCDNUJPVNOPT-SECBINFHSA-N 1 0 309.395 2.742 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000336865455 268445945 /nfs/dbraw/zinc/44/59/45/268445945.db2.gz UJJQXCLMKZYAAI-LBPRGKRZSA-N 1 0 302.378 2.707 20 5 DFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000337442410 268493612 /nfs/dbraw/zinc/49/36/12/268493612.db2.gz YUHMXLNBURHVMN-HNNXBMFYSA-N 1 0 306.341 2.917 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000074336008 426046512 /nfs/dbraw/zinc/04/65/12/426046512.db2.gz HJVLIYSCGFTJQY-UHFFFAOYSA-N 1 0 307.394 2.834 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127390898 426064711 /nfs/dbraw/zinc/06/47/11/426064711.db2.gz YRRYQDCHFWSESZ-AWEZNQCLSA-N 1 0 313.785 2.742 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076004349 426094046 /nfs/dbraw/zinc/09/40/46/426094046.db2.gz GFSFUXLSXDLNFG-HNNXBMFYSA-N 1 0 321.421 2.637 20 5 DFBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000076169806 426103456 /nfs/dbraw/zinc/10/34/56/426103456.db2.gz GHFVACZIWMFDAR-UHFFFAOYSA-N 1 0 303.318 2.544 20 5 DFBDRO CC[C@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113339274 426112779 /nfs/dbraw/zinc/11/27/79/426112779.db2.gz GAYLLYAVIHIHOY-HNNXBMFYSA-N 1 0 321.402 2.969 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000076487185 426113690 /nfs/dbraw/zinc/11/36/90/426113690.db2.gz OVKHTNVECVQARS-HIFRSBDPSA-N 1 0 319.405 2.706 20 5 DFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000128512173 426120265 /nfs/dbraw/zinc/12/02/65/426120265.db2.gz NWXZJNMSDFZIHJ-UHFFFAOYSA-N 1 0 309.341 2.937 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166495120 426128617 /nfs/dbraw/zinc/12/86/17/426128617.db2.gz KATSUYNSRRQHSZ-MAZHCROVSA-N 1 0 308.378 2.830 20 5 DFBDRO Cc1cc(N[C@H](C)C[S@@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000168072071 426134242 /nfs/dbraw/zinc/13/42/42/426134242.db2.gz TZUWZTLJWSSYPT-UZJPJQLHSA-N 1 0 307.375 2.630 20 5 DFBDRO CC[C@@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077453301 426134681 /nfs/dbraw/zinc/13/46/81/426134681.db2.gz OSPSMSRXDQFTEJ-LBPRGKRZSA-N 1 0 321.402 2.969 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114459899 426136621 /nfs/dbraw/zinc/13/66/21/426136621.db2.gz JIUPHKUQLHBXOZ-HZPDHXFCSA-N 1 0 308.378 2.599 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000075676826 426081619 /nfs/dbraw/zinc/08/16/19/426081619.db2.gz LYAFWBKDOALYSX-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170639591 426141388 /nfs/dbraw/zinc/14/13/88/426141388.db2.gz SQUHPFWOSARZLB-LLVKDONJSA-N 1 0 320.393 2.622 20 5 DFBDRO O=C1OCC[C@H]1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130231821 426151642 /nfs/dbraw/zinc/15/16/42/426151642.db2.gz CJDMMLMLKIUVIV-CYBMUJFWSA-N 1 0 304.346 2.512 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171130806 426171268 /nfs/dbraw/zinc/17/12/68/426171268.db2.gz SMYIJOUXFFGJQH-NSHDSACASA-N 1 0 309.366 2.770 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000116276494 426185630 /nfs/dbraw/zinc/18/56/30/426185630.db2.gz NIWFSNAHEVPTQK-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000079639612 426199283 /nfs/dbraw/zinc/19/92/83/426199283.db2.gz USVZYQNKEFTNSY-LBPRGKRZSA-N 1 0 317.311 2.569 20 5 DFBDRO Cc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000118866165 426249683 /nfs/dbraw/zinc/24/96/83/426249683.db2.gz JOVDONKHGXBZRQ-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000085636261 426253531 /nfs/dbraw/zinc/25/35/31/426253531.db2.gz HPJKNSVXBYGXRN-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000150938181 426268062 /nfs/dbraw/zinc/26/80/62/426268062.db2.gz BHVHUMVYAJUHFH-CYBMUJFWSA-N 1 0 320.393 2.694 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000339388181 268804601 /nfs/dbraw/zinc/80/46/01/268804601.db2.gz WIIHPCLMSPIGJG-NSHDSACASA-N 1 0 306.322 2.699 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000151436043 426295286 /nfs/dbraw/zinc/29/52/86/426295286.db2.gz OKMTVWPKVXDZQF-UONOGXRCSA-N 1 0 310.394 2.587 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2nc(C)no2)cc1[N+](=O)[O-] ZINC000089518115 426295627 /nfs/dbraw/zinc/29/56/27/426295627.db2.gz TXBGDGABACYEMA-SNVBAGLBSA-N 1 0 320.349 2.578 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000151615582 426303988 /nfs/dbraw/zinc/30/39/88/426303988.db2.gz CMZAOAWIHNSBIY-WFASDCNBSA-N 1 0 318.377 2.543 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175161841 426283284 /nfs/dbraw/zinc/28/32/84/426283284.db2.gz QRSCQQWPIPRTRD-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1Cl)Cn1ccnc1 ZINC000153608797 426394095 /nfs/dbraw/zinc/39/40/95/426394095.db2.gz ILSFSHSETSLDJQ-JTQLQIEISA-N 1 0 322.752 2.511 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1 ZINC000152540356 426345105 /nfs/dbraw/zinc/34/51/05/426345105.db2.gz BRZJUZOWRSUHSC-QGZVFWFLSA-N 1 0 313.357 2.686 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152806516 426354877 /nfs/dbraw/zinc/35/48/77/426354877.db2.gz WWZDERQLSPBPNN-UPJWGTAASA-N 1 0 303.362 2.654 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000121956474 426356448 /nfs/dbraw/zinc/35/64/48/426356448.db2.gz KQCVOSWZCBTADB-UHFFFAOYSA-N 1 0 320.393 2.837 20 5 DFBDRO C[N@H+](CCCCc1ccccc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176211470 426360525 /nfs/dbraw/zinc/36/05/25/426360525.db2.gz TZQJHSDRAQYJOL-UHFFFAOYSA-N 1 0 302.378 2.746 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+](CCc2cccc(F)c2)C2CC2)n1 ZINC000176244577 426363304 /nfs/dbraw/zinc/36/33/04/426363304.db2.gz DPELBMDAJCJGFV-UHFFFAOYSA-N 1 0 318.352 2.638 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153771216 426405900 /nfs/dbraw/zinc/40/59/00/426405900.db2.gz XOJJHWFEBRQBOT-ZLDLUXBVSA-N 1 0 308.378 2.948 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000122402345 426373251 /nfs/dbraw/zinc/37/32/51/426373251.db2.gz CUANTRYERSYIAM-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122510032 426379304 /nfs/dbraw/zinc/37/93/04/426379304.db2.gz DBUWPYZKRVVRQT-AWEZNQCLSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@H](C)C1 ZINC000122586447 426383162 /nfs/dbraw/zinc/38/31/62/426383162.db2.gz JQWNWHOQVPHKPW-CJNGLKHVSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000122621545 426384941 /nfs/dbraw/zinc/38/49/41/426384941.db2.gz BPIAGFGGHAYCLW-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000122611352 426385367 /nfs/dbraw/zinc/38/53/67/426385367.db2.gz YFXCLFNPEZOGFE-NEPJUHHUSA-N 1 0 311.769 2.523 20 5 DFBDRO CCC(CC)[N@H+](CCOC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153966147 426416360 /nfs/dbraw/zinc/41/63/60/426416360.db2.gz DHWILWMLMQWXQJ-MRXNPFEDSA-N 1 0 310.394 2.765 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000123176495 426417589 /nfs/dbraw/zinc/41/75/89/426417589.db2.gz HOHIDPYRMTWZFH-OAHLLOKOSA-N 1 0 307.394 2.609 20 5 DFBDRO CCn1c(SCC[NH+](C)C)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000123676969 426447157 /nfs/dbraw/zinc/44/71/57/426447157.db2.gz ODLLNRNJCMRUFP-UHFFFAOYSA-N 1 0 321.406 2.527 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCOC1 ZINC000177064012 426439909 /nfs/dbraw/zinc/43/99/09/426439909.db2.gz FDARTYQZYAFOJQ-LLVKDONJSA-N 1 0 305.334 2.594 20 5 DFBDRO Cc1sc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123601700 426443079 /nfs/dbraw/zinc/44/30/79/426443079.db2.gz YINCVIBFTMDCCW-KOLCDFICSA-N 1 0 311.407 2.519 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000340879660 269026086 /nfs/dbraw/zinc/02/60/86/269026086.db2.gz LCTCBSCCGKRVOV-DZGCQCFKSA-N 1 0 307.369 2.793 20 5 DFBDRO O=C(c1ccc2c[nH+]cn2c1)N1CCCc2c([N+](=O)[O-])cccc21 ZINC000341417240 269074095 /nfs/dbraw/zinc/07/40/95/269074095.db2.gz DQGSCOULBXDHQF-UHFFFAOYSA-N 1 0 322.324 2.836 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])c1 ZINC000177218515 426455392 /nfs/dbraw/zinc/45/53/92/426455392.db2.gz RSUMCHWDELFIJA-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ncc1[N+](=O)[O-] ZINC000154933147 426459649 /nfs/dbraw/zinc/45/96/49/426459649.db2.gz IDHLAUDGZDMWOO-CYBMUJFWSA-N 1 0 304.394 2.751 20 5 DFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccc([N+](=O)[O-])s1 ZINC000177453824 426479876 /nfs/dbraw/zinc/47/98/76/426479876.db2.gz LNAPLDRLZVRQMT-UHFFFAOYSA-N 1 0 323.418 2.793 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccccc2)c([N+](=O)[O-])cc1O ZINC000101588938 426485028 /nfs/dbraw/zinc/48/50/28/426485028.db2.gz RLEABIUHKZQENB-UHFFFAOYSA-N 1 0 302.330 2.641 20 5 DFBDRO CCC[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000186324896 426507190 /nfs/dbraw/zinc/50/71/90/426507190.db2.gz KFSZYBYKPAUEPE-ZDUSSCGKSA-N 1 0 313.785 2.595 20 5 DFBDRO CC(C)[NH2+]C1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000195262521 426509034 /nfs/dbraw/zinc/50/90/34/426509034.db2.gz FPJHVTIKQTXSEB-UHFFFAOYSA-N 1 0 304.394 2.530 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280155516 426509550 /nfs/dbraw/zinc/50/95/50/426509550.db2.gz BNHBNFBQORYTDA-IAQYHMDHSA-N 1 0 305.378 2.574 20 5 DFBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000272406104 426517982 /nfs/dbraw/zinc/51/79/82/426517982.db2.gz BMKNQUFIMPLFDA-UHFFFAOYSA-N 1 0 308.338 2.647 20 5 DFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186391083 426519166 /nfs/dbraw/zinc/51/91/66/426519166.db2.gz DWIBNJDHLRIXEQ-GFCCVEGCSA-N 1 0 321.377 2.551 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000177860189 426529824 /nfs/dbraw/zinc/52/98/24/426529824.db2.gz ANSLHOSOQYEXNU-CYBMUJFWSA-N 1 0 319.405 2.852 20 5 DFBDRO C[C@@H]([NH2+]C(C)(C)CNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000264315757 426534233 /nfs/dbraw/zinc/53/42/33/426534233.db2.gz OWFAWIAMCJZSNZ-GFCCVEGCSA-N 1 0 317.393 2.870 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000264316779 426535035 /nfs/dbraw/zinc/53/50/35/426535035.db2.gz UNNUNIAZMYDPAS-UHFFFAOYSA-N 1 0 323.368 2.791 20 5 DFBDRO CCC[C@@H]([NH2+]CCCC(=O)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177990946 426552340 /nfs/dbraw/zinc/55/23/40/426552340.db2.gz LTJUWWIXAXNXFR-OAHLLOKOSA-N 1 0 307.394 2.894 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194724227 426491251 /nfs/dbraw/zinc/49/12/51/426491251.db2.gz MLMYIXHQHBQYRD-RYUDHWBXSA-N 1 0 314.345 2.668 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177559259 426494723 /nfs/dbraw/zinc/49/47/23/426494723.db2.gz LVQBCQRGAYIOKW-WDEREUQCSA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177570501 426496714 /nfs/dbraw/zinc/49/67/14/426496714.db2.gz HIPWCFJYDCXSGT-KBPBESRZSA-N 1 0 317.389 2.964 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000186294191 426501574 /nfs/dbraw/zinc/50/15/74/426501574.db2.gz JJROTEBRGXPYLB-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@](C)(OC)CC2)cc1[N+](=O)[O-] ZINC000280135753 426505095 /nfs/dbraw/zinc/50/50/95/426505095.db2.gz CQYIXIHYHONRFB-INIZCTEOSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178095323 426570065 /nfs/dbraw/zinc/57/00/65/426570065.db2.gz OLPQJYKGJODLFO-NEPJUHHUSA-N 1 0 307.394 2.857 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000272647994 426571124 /nfs/dbraw/zinc/57/11/24/426571124.db2.gz PJXWNLVAGCGFAL-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000280436507 426576385 /nfs/dbraw/zinc/57/63/85/426576385.db2.gz KDAOYDMLMJOSLC-LLVKDONJSA-N 1 0 311.382 2.754 20 5 DFBDRO C[C@@](O)(CNCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000273050365 426581447 /nfs/dbraw/zinc/58/14/47/426581447.db2.gz KFYDHHLYFCIERD-SNVBAGLBSA-N 1 0 312.675 2.651 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000265167488 426588572 /nfs/dbraw/zinc/58/85/72/426588572.db2.gz CYYCPLDNGGHULA-LSDHHAIUSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1cnn(C)c1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289129966 426588908 /nfs/dbraw/zinc/58/89/08/426588908.db2.gz OKYSSZPTUJFJTB-UHFFFAOYSA-N 1 0 300.362 2.801 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000265186079 426593460 /nfs/dbraw/zinc/59/34/60/426593460.db2.gz XJMJDRAAHSMGQB-INIZCTEOSA-N 1 0 322.311 2.870 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000280544491 426596627 /nfs/dbraw/zinc/59/66/27/426596627.db2.gz TXEMIQLLHMXNCA-UHFFFAOYSA-N 1 0 306.362 2.869 20 5 DFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332196 426608126 /nfs/dbraw/zinc/60/81/26/426608126.db2.gz ZOUGJTQJCVXBEO-WMLDXEAASA-N 1 0 321.421 2.602 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CCCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC000187006466 426619590 /nfs/dbraw/zinc/61/95/90/426619590.db2.gz AOIRDTQJLQSXON-UHFFFAOYSA-N 1 0 306.362 2.858 20 5 DFBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000186598312 426562097 /nfs/dbraw/zinc/56/20/97/426562097.db2.gz ASZCHIGAPHXIEH-RDJZCZTQSA-N 1 0 322.405 2.559 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)cccc1[N+](=O)[O-] ZINC000178493786 426640037 /nfs/dbraw/zinc/64/00/37/426640037.db2.gz YNFOVBQQLCNHBX-AAEUAGOBSA-N 1 0 305.378 2.565 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231629301 426651028 /nfs/dbraw/zinc/65/10/28/426651028.db2.gz VDZSKNDVTJWZIS-QMMMGPOBSA-N 1 0 317.187 2.504 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365799 426652482 /nfs/dbraw/zinc/65/24/82/426652482.db2.gz FYUFJZAHXVOSDQ-QMTHXVAHSA-N 1 0 324.356 2.538 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000232018133 426653665 /nfs/dbraw/zinc/65/36/65/426653665.db2.gz SMMKFJSCCRXFIW-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280793084 426657194 /nfs/dbraw/zinc/65/71/94/426657194.db2.gz UVZKFZGAIMTPIJ-LBPRGKRZSA-N 1 0 305.378 2.575 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265589260 426658180 /nfs/dbraw/zinc/65/81/80/426658180.db2.gz PFJBYODAOPYWQZ-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[C@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000265655720 426669670 /nfs/dbraw/zinc/66/96/70/426669670.db2.gz ZWIJQXYSCAOVLG-IUODEOHRSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658176 426672029 /nfs/dbraw/zinc/67/20/29/426672029.db2.gz KWBDINFBBDWQMP-KBPBESRZSA-N 1 0 308.378 2.689 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178683303 426674756 /nfs/dbraw/zinc/67/47/56/426674756.db2.gz IDACYNIDUHZFIF-QWHCGFSZSA-N 1 0 307.394 2.715 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273515193 426677978 /nfs/dbraw/zinc/67/79/78/426677978.db2.gz XOCKCGLDJDRCEJ-UHFFFAOYSA-N 1 0 324.356 2.682 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000290086813 426689384 /nfs/dbraw/zinc/68/93/84/426689384.db2.gz WMUKFWFRFZCFLX-DUVNUKRYSA-N 1 0 319.405 2.715 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000178764612 426689918 /nfs/dbraw/zinc/68/99/18/426689918.db2.gz KXZHFZQKMLPJTL-UHFFFAOYSA-N 1 0 311.407 2.507 20 5 DFBDRO O=C(NC[C@@H]1CCC[NH2+]1)c1cc2ccccc2c2cccnc12 ZINC000178767283 426690538 /nfs/dbraw/zinc/69/05/38/426690538.db2.gz IPQBEFXLRNGZOF-AWEZNQCLSA-N 1 0 305.381 2.870 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(CCO)CC1)C1CC1 ZINC000188070331 426719767 /nfs/dbraw/zinc/71/97/67/426719767.db2.gz YSLCJJQDRJEJJL-OAHLLOKOSA-N 1 0 304.390 2.668 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000274442874 426769289 /nfs/dbraw/zinc/76/92/89/426769289.db2.gz HQJRQDLQVCBIDZ-BOLDSZDNSA-N 1 0 317.389 2.597 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000274447304 426771255 /nfs/dbraw/zinc/77/12/55/426771255.db2.gz IJNVSKXKLAWOPY-VSGCLNPGSA-N 1 0 317.389 2.597 20 5 DFBDRO CN(Cc1cn(C)nc1C(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000274490978 426780017 /nfs/dbraw/zinc/78/00/17/426780017.db2.gz OZOZIKQFKYLMHU-UHFFFAOYSA-N 1 0 310.304 2.898 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000266125680 426723353 /nfs/dbraw/zinc/72/33/53/426723353.db2.gz PYMUGOWXTRVSMH-QWHCGFSZSA-N 1 0 300.362 2.879 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@H](CO)[C@@H](c3ccsc3)C2)cs1 ZINC000188151392 426726412 /nfs/dbraw/zinc/72/64/12/426726412.db2.gz GIMNFOSQMBSFOA-CHWSQXEVSA-N 1 0 324.427 2.926 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000274538628 426788525 /nfs/dbraw/zinc/78/85/25/426788525.db2.gz VLQDBMCFUOKVSL-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000266565732 426739391 /nfs/dbraw/zinc/73/93/91/426739391.db2.gz ZOHAFPOHJZCLHR-LXZKKBNFSA-N 1 0 320.389 2.599 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266564303 426740460 /nfs/dbraw/zinc/74/04/60/426740460.db2.gz ZCLFKSUXEZPFFW-TZMCWYRMSA-N 1 0 318.373 2.931 20 5 DFBDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245534704 426748016 /nfs/dbraw/zinc/74/80/16/426748016.db2.gz WGWZITSGCNWSNJ-HIFRSBDPSA-N 1 0 319.405 2.812 20 5 DFBDRO COCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1ccccc1 ZINC000266887683 426789368 /nfs/dbraw/zinc/78/93/68/426789368.db2.gz CQCQFQHKEGTTLV-AWEZNQCLSA-N 1 0 318.377 2.501 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC1(C)C ZINC000266929619 426798257 /nfs/dbraw/zinc/79/82/57/426798257.db2.gz LXJKUHFMKVUQLS-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000188920366 426800734 /nfs/dbraw/zinc/80/07/34/426800734.db2.gz OLFVSXRSTJXXRV-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000266947432 426801821 /nfs/dbraw/zinc/80/18/21/426801821.db2.gz YPWSZEYGRLKYBB-UHFFFAOYSA-N 1 0 306.341 2.841 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000188977456 426805307 /nfs/dbraw/zinc/80/53/07/426805307.db2.gz BYPRFSVGHALBBZ-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282018091 426813272 /nfs/dbraw/zinc/81/32/72/426813272.db2.gz KCGAEEDRGRKDLG-HOTGVXAUSA-N 1 0 320.389 2.567 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282018101 426814407 /nfs/dbraw/zinc/81/44/07/426814407.db2.gz KCGAEEDRGRKDLG-JKSUJKDBSA-N 1 0 320.389 2.567 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CCC[C@H]1C ZINC000282026299 426815621 /nfs/dbraw/zinc/81/56/21/426815621.db2.gz KPVCGCICVGWOTF-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000267059911 426817133 /nfs/dbraw/zinc/81/71/33/426817133.db2.gz IKQDBXKZOFAXTQ-CQSZACIVSA-N 1 0 300.362 2.589 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000282104199 426829720 /nfs/dbraw/zinc/82/97/20/426829720.db2.gz ZPXMRBJDMINSOJ-NSHDSACASA-N 1 0 323.418 2.518 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc(F)c1 ZINC000267144082 426830554 /nfs/dbraw/zinc/83/05/54/426830554.db2.gz AISQADYMXDBUKS-ZBEGNZNMSA-N 1 0 304.321 2.946 20 5 DFBDRO C[C@H]1C[C@@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000290805238 426842481 /nfs/dbraw/zinc/84/24/81/426842481.db2.gz QIVBIIZTRFCUBG-VHSXEESVSA-N 1 0 301.350 2.508 20 5 DFBDRO CCC1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000295169822 426848743 /nfs/dbraw/zinc/84/87/43/426848743.db2.gz GMYUVMAPDNBAAC-AWEZNQCLSA-N 1 0 308.378 2.647 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246664232 426852887 /nfs/dbraw/zinc/85/28/87/426852887.db2.gz WPLVWIAIYQLEMG-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[C@@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189652688 426915488 /nfs/dbraw/zinc/91/54/88/426915488.db2.gz MYNXUXLNCYCUCJ-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000267279418 426861752 /nfs/dbraw/zinc/86/17/52/426861752.db2.gz UYDMYRLCJQMXNY-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180578526 426870740 /nfs/dbraw/zinc/87/07/40/426870740.db2.gz XRAHMLULUGSPNJ-DZGCQCFKSA-N 1 0 315.377 2.632 20 5 DFBDRO COCCCOCCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000180723959 426882179 /nfs/dbraw/zinc/88/21/79/426882179.db2.gz BPXFOPLGYNKLEL-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]2(CO)CCc3ccccc32)cc1 ZINC000305258717 426903661 /nfs/dbraw/zinc/90/36/61/426903661.db2.gz XGMUWYBZBBCYHT-GOSISDBHSA-N 1 0 312.369 2.561 20 5 DFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000291528506 426904545 /nfs/dbraw/zinc/90/45/45/426904545.db2.gz JVYZLVROOWFASP-NSHDSACASA-N 1 0 305.161 2.762 20 5 DFBDRO CC1(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)OCCO1 ZINC000268081057 426909589 /nfs/dbraw/zinc/90/95/89/426909589.db2.gz GKNNXVGDHNCBKF-UHFFFAOYSA-N 1 0 306.362 2.570 20 5 DFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(C2CCC2)CC1 ZINC000295326926 426911682 /nfs/dbraw/zinc/91/16/82/426911682.db2.gz TULXWVWMGCSXMY-UHFFFAOYSA-N 1 0 323.780 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000248357900 426993950 /nfs/dbraw/zinc/99/39/50/426993950.db2.gz QBKPBNOWQWXUGW-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000189798424 426953576 /nfs/dbraw/zinc/95/35/76/426953576.db2.gz XKNMALDEXACWBP-UHFFFAOYSA-N 1 0 307.394 2.788 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000317158909 426953746 /nfs/dbraw/zinc/95/37/46/426953746.db2.gz HCXSYUNAUZDHRN-ZDUSSCGKSA-N 1 0 302.378 2.953 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCc1ccncc1 ZINC000181495096 426955783 /nfs/dbraw/zinc/95/57/83/426955783.db2.gz SQJWLWUUMYZYTE-UHFFFAOYSA-N 1 0 315.373 2.933 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N[C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181545860 426961049 /nfs/dbraw/zinc/96/10/49/426961049.db2.gz DLVJNFAYACFMQL-IUODEOHRSA-N 1 0 307.394 2.796 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247882124 426964415 /nfs/dbraw/zinc/96/44/15/426964415.db2.gz BWFNIHBCTQLFRY-XJKSGUPXSA-N 1 0 308.353 2.861 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000247962917 426969056 /nfs/dbraw/zinc/96/90/56/426969056.db2.gz GLNFXNCBNRTDIH-KKUMJFAQSA-N 1 0 321.421 2.663 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000181695363 426975727 /nfs/dbraw/zinc/97/57/27/426975727.db2.gz WQAZNABRQVADOH-HUUCEWRRSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268158122 426930820 /nfs/dbraw/zinc/93/08/20/426930820.db2.gz OACANTCUCLXCIC-BONVTDFDSA-N 1 0 303.362 2.692 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000283041722 426936019 /nfs/dbraw/zinc/93/60/19/426936019.db2.gz IJQNBPBVZBETAU-VHSXEESVSA-N 1 0 314.769 2.926 20 5 DFBDRO Cc1nocc1CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000295386834 426936235 /nfs/dbraw/zinc/93/62/35/426936235.db2.gz PNBQMDAHWYCKMP-UHFFFAOYSA-N 1 0 317.345 2.935 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000247482963 426944162 /nfs/dbraw/zinc/94/41/62/426944162.db2.gz SXANSGQWDKODLL-SWLSCSKDSA-N 1 0 319.405 2.706 20 5 DFBDRO CCOCCOCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000190263636 427057778 /nfs/dbraw/zinc/05/77/78/427057778.db2.gz PHLFRPOIRKMKEK-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248409862 426998441 /nfs/dbraw/zinc/99/84/41/426998441.db2.gz GKCSNLSTQOMNRW-CVEARBPZSA-N 1 0 303.406 2.962 20 5 DFBDRO CCC[C@H]([NH2+]CCCn1ccnn1)c1cccc([N+](=O)[O-])c1 ZINC000181980806 427003100 /nfs/dbraw/zinc/00/31/00/427003100.db2.gz MNBOEFGIQHATQM-HNNXBMFYSA-N 1 0 303.366 2.707 20 5 DFBDRO CCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248470858 427003521 /nfs/dbraw/zinc/00/35/21/427003521.db2.gz VLCZNOZUGQMQKI-HUUCEWRRSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248467980 427004256 /nfs/dbraw/zinc/00/42/56/427004256.db2.gz TYIDGQHLVAOKDO-ZIAGYGMSSA-N 1 0 310.394 2.703 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283495758 427026254 /nfs/dbraw/zinc/02/62/54/427026254.db2.gz IFBBPXDIJZWIRG-CYBMUJFWSA-N 1 0 305.378 2.941 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000248665453 427030161 /nfs/dbraw/zinc/03/01/61/427030161.db2.gz MBQGBZQJSZFGIH-SWLSCSKDSA-N 1 0 317.389 2.848 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCOC[C@H](C3CCC3)C2)c(F)c1 ZINC000292037631 427066868 /nfs/dbraw/zinc/06/68/68/427066868.db2.gz ACIYADFKDODBSH-CQSZACIVSA-N 1 0 308.353 2.982 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccc(F)cc1 ZINC000190318615 427073202 /nfs/dbraw/zinc/07/32/02/427073202.db2.gz DVOMBVXUJQDQDC-NSHDSACASA-N 1 0 310.354 2.905 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276560025 427099566 /nfs/dbraw/zinc/09/95/66/427099566.db2.gz GFPXGMHMKRQNKD-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000249262121 427101554 /nfs/dbraw/zinc/10/15/54/427101554.db2.gz HGGAQXGWAYVOHT-WFASDCNBSA-N 1 0 316.405 2.630 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000296198804 427110369 /nfs/dbraw/zinc/11/03/69/427110369.db2.gz WABSGOKIRZPWFL-OWYVNGRQSA-N 1 0 323.349 2.652 20 5 DFBDRO CCC1([NH2+]CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CCCC1 ZINC000296197431 427110464 /nfs/dbraw/zinc/11/04/64/427110464.db2.gz JEFAWOXRNARQEU-UHFFFAOYSA-N 1 0 321.377 2.854 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@@H](O)c2cccnc2)C2CC2)cc1 ZINC000296223304 427115436 /nfs/dbraw/zinc/11/54/36/427115436.db2.gz GYFCDGMJJNKRCH-QGZVFWFLSA-N 1 0 313.357 2.688 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000249517003 427122262 /nfs/dbraw/zinc/12/22/62/427122262.db2.gz GMUQWZUTSVCYKM-FRRDWIJNSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000284050632 427125411 /nfs/dbraw/zinc/12/54/11/427125411.db2.gz PTSNJHRTPHAXRK-SECBINFHSA-N 1 0 314.773 2.710 20 5 DFBDRO CCOc1cc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276977811 427132123 /nfs/dbraw/zinc/13/21/23/427132123.db2.gz XVNDCNUBAHWHNL-HIFRSBDPSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284098008 427134246 /nfs/dbraw/zinc/13/42/46/427134246.db2.gz MQRLYEOOVAOLKF-PXAZEXFGSA-N 1 0 315.373 2.870 20 5 DFBDRO CN(C(=O)C[NH+](C1CCC1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000292293657 427162098 /nfs/dbraw/zinc/16/20/98/427162098.db2.gz CQFPAJZMQLZCOI-UHFFFAOYSA-N 1 0 317.389 2.965 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000162643983 271085426 /nfs/dbraw/zinc/08/54/26/271085426.db2.gz ZRDQCYXUDKGEMT-HIFRSBDPSA-N 1 0 324.352 2.945 20 5 DFBDRO COC[C@@H]1CC[N@H+](Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)C1 ZINC000270533283 271304041 /nfs/dbraw/zinc/30/40/41/271304041.db2.gz FWSQQGZTOUNZPQ-GFCCVEGCSA-N 1 0 317.345 2.718 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](C)(OC)CC1 ZINC000280482582 271325862 /nfs/dbraw/zinc/32/58/62/271325862.db2.gz LNNOUHBKRHFNAV-MRXNPFEDSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@H]1C[NH+](C[C@H]2CCCN2c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000302407963 271362901 /nfs/dbraw/zinc/36/29/01/271362901.db2.gz HAOYZLCZKIJVJV-RBSFLKMASA-N 1 0 319.405 2.673 20 5 DFBDRO C[C@@H]1C[N@@H+](C[C@H]2CCCN2c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302407962 271363074 /nfs/dbraw/zinc/36/30/74/271363074.db2.gz HAOYZLCZKIJVJV-QLFBSQMISA-N 1 0 319.405 2.673 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000277362526 427178732 /nfs/dbraw/zinc/17/87/32/427178732.db2.gz BASXEMPKUMJDTQ-GFCCVEGCSA-N 1 0 317.393 2.639 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])C2)C1 ZINC000292367550 427180058 /nfs/dbraw/zinc/18/00/58/427180058.db2.gz RSPFCOHCLAXXGK-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@H](CCCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296456325 427183250 /nfs/dbraw/zinc/18/32/50/427183250.db2.gz MZXBHTBNSWUMLG-CZUORRHYSA-N 1 0 306.406 2.914 20 5 DFBDRO CC[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284333611 427183689 /nfs/dbraw/zinc/18/36/89/427183689.db2.gz MKTZKRXXCFPFRG-BPUTZDHNSA-N 1 0 324.421 2.794 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183029940 427184133 /nfs/dbraw/zinc/18/41/33/427184133.db2.gz GPXCVUMCXSXGBF-NWDGAFQWSA-N 1 0 305.378 2.508 20 5 DFBDRO CCOc1cccc(NCCCC[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000183143926 427210762 /nfs/dbraw/zinc/21/07/62/427210762.db2.gz FLGXXBYHAQSDSD-UHFFFAOYSA-N 1 0 323.393 2.518 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)C(=O)OC ZINC000285414793 427226757 /nfs/dbraw/zinc/22/67/57/427226757.db2.gz GEEBWAJWHFULEI-UHFFFAOYSA-N 1 0 324.377 2.672 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000293157475 427229554 /nfs/dbraw/zinc/22/95/54/427229554.db2.gz UOJUBTGAQJKUJU-QGZVFWFLSA-N 1 0 322.405 2.704 20 5 DFBDRO Cc1csc(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1 ZINC000269632570 427236053 /nfs/dbraw/zinc/23/60/53/427236053.db2.gz GCXHWOZEAUWWBN-CYBMUJFWSA-N 1 0 321.402 2.918 20 5 DFBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000296866334 427256755 /nfs/dbraw/zinc/25/67/55/427256755.db2.gz ZGUOLWVURNBNBP-AWEZNQCLSA-N 1 0 303.406 2.553 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613825 427274447 /nfs/dbraw/zinc/27/44/47/427274447.db2.gz RPHWUPZIJDADGO-UKRRQHHQSA-N 1 0 321.421 2.908 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191296373 427311686 /nfs/dbraw/zinc/31/16/86/427311686.db2.gz BDRXPXIIEUXKEW-HIFRSBDPSA-N 1 0 308.378 2.503 20 5 DFBDRO CC(C)(C)[C@H](CCO)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000183677393 427316484 /nfs/dbraw/zinc/31/64/84/427316484.db2.gz QSGMOEBEBPJPBP-HNNXBMFYSA-N 1 0 310.394 2.750 20 5 DFBDRO CCc1nocc1CN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000293419303 427317130 /nfs/dbraw/zinc/31/71/30/427317130.db2.gz MZMYTWNBONIGGQ-UHFFFAOYSA-N 1 0 305.334 2.786 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2ccc(C3CCC3)cc2)c1 ZINC000293413104 427318346 /nfs/dbraw/zinc/31/83/46/427318346.db2.gz ZDWRNXBQKRZDLC-UHFFFAOYSA-N 1 0 300.362 2.849 20 5 DFBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191351066 427325719 /nfs/dbraw/zinc/32/57/19/427325719.db2.gz LPYHDXHFNNFTFD-HOCLYGCPSA-N 1 0 321.421 2.951 20 5 DFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113053 427347340 /nfs/dbraw/zinc/34/73/40/427347340.db2.gz JJNIMTJGYPRLLP-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000339003939 271639416 /nfs/dbraw/zinc/63/94/16/271639416.db2.gz OXFAINOCZBXKFP-GHMZBOCLSA-N 1 0 323.422 2.979 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262953425 427384349 /nfs/dbraw/zinc/38/43/49/427384349.db2.gz JWPHXDIECMXORK-PEYYIBSZSA-N 1 0 305.378 2.680 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC000331271056 427386103 /nfs/dbraw/zinc/38/61/03/427386103.db2.gz MYLAVQKWKACNEM-BBRMVZONSA-N 1 0 322.405 2.975 20 5 DFBDRO CC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1 ZINC000293641639 427391011 /nfs/dbraw/zinc/39/10/11/427391011.db2.gz IBLBXSKGKHKKQD-OCCSQVGLSA-N 1 0 306.410 2.702 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293660821 427395774 /nfs/dbraw/zinc/39/57/74/427395774.db2.gz NTGFWVSUSBLOLZ-KRWDZBQOSA-N 1 0 303.406 2.821 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)cc1[N+](=O)[O-] ZINC000331306153 427396147 /nfs/dbraw/zinc/39/61/47/427396147.db2.gz ZHWLZOXTLUHSKZ-OBJOEFQTSA-N 1 0 308.378 2.585 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286049157 427409547 /nfs/dbraw/zinc/40/95/47/427409547.db2.gz ARAUPTNHTARCBZ-SECBINFHSA-N 1 0 309.395 2.742 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000331139761 427354086 /nfs/dbraw/zinc/35/40/86/427354086.db2.gz FCQYFXGRSQFPLW-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO C[NH2+]CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000262318586 427356522 /nfs/dbraw/zinc/35/65/22/427356522.db2.gz QRNVSTXFCYGTCH-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000262501142 427357727 /nfs/dbraw/zinc/35/77/27/427357727.db2.gz LZXXQKYFIYHYCZ-RYUDHWBXSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262737960 427366365 /nfs/dbraw/zinc/36/63/65/427366365.db2.gz GTQCRLFOGKBBAM-GXFFZTMASA-N 1 0 317.345 2.683 20 5 DFBDRO COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000278806348 427461020 /nfs/dbraw/zinc/46/10/20/427461020.db2.gz NGIROUMHFIWMJL-IKGGRYGDSA-N 1 0 320.389 2.756 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184484908 427469771 /nfs/dbraw/zinc/46/97/71/427469771.db2.gz JGMKJOOUQZVLOL-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736856 427482070 /nfs/dbraw/zinc/48/20/70/427482070.db2.gz VJQRORWWJYKCBQ-GXTWGEPZSA-N 1 0 317.389 2.747 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338794449 427492556 /nfs/dbraw/zinc/49/25/56/427492556.db2.gz POXCSCIOANNZCG-SMDDNHRTSA-N 1 0 305.378 2.611 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000184607454 427501138 /nfs/dbraw/zinc/50/11/38/427501138.db2.gz GQRJWALEXZHTOC-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081604 427504668 /nfs/dbraw/zinc/50/46/68/427504668.db2.gz MKESZDYYCXRBMN-ZYHUDNBSSA-N 1 0 302.334 2.837 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184640833 427508142 /nfs/dbraw/zinc/50/81/42/427508142.db2.gz DVSZJDMNRYRZQY-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCC[C@H]1O ZINC000286373399 427509217 /nfs/dbraw/zinc/50/92/17/427509217.db2.gz GJVMLMFKKUHPJN-HUUCEWRRSA-N 1 0 317.345 2.595 20 5 DFBDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000338829280 427509697 /nfs/dbraw/zinc/50/96/97/427509697.db2.gz PVVOYNSAKBEUKG-ZDUSSCGKSA-N 1 0 322.409 2.685 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000263647570 427529948 /nfs/dbraw/zinc/52/99/48/427529948.db2.gz CEFQRJRBXNRIBF-UHFFFAOYSA-N 1 0 312.373 2.880 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000192524340 427555663 /nfs/dbraw/zinc/55/56/63/427555663.db2.gz PNCNTHFDDOIYBS-NWDGAFQWSA-N 1 0 309.414 2.652 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3c(F)cccc3[N+](=O)[O-])C2)CC1 ZINC000286608439 427537056 /nfs/dbraw/zinc/53/70/56/427537056.db2.gz VEZAARLPWSTCHX-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO CC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 ZINC000338895113 427545939 /nfs/dbraw/zinc/54/59/39/427545939.db2.gz LTVJYTHZPRHLHQ-UHFFFAOYSA-N 1 0 317.311 2.751 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000192514282 427553798 /nfs/dbraw/zinc/55/37/98/427553798.db2.gz ZEBSPHWUZJBRML-UHFFFAOYSA-N 1 0 309.414 2.794 20 5 DFBDRO Cn1cc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279083237 427553846 /nfs/dbraw/zinc/55/38/46/427553846.db2.gz MWCLRSJIKMBOMI-MRXNPFEDSA-N 1 0 314.389 2.883 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294302090 427615260 /nfs/dbraw/zinc/61/52/60/427615260.db2.gz NKQDPLPTZBVIFJ-NVGCLXPQSA-N 1 0 315.373 2.950 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000192836351 427621399 /nfs/dbraw/zinc/62/13/99/427621399.db2.gz LIFUZEWXAJCCRD-IOASZLSFSA-N 1 0 319.405 2.972 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000332244508 427556990 /nfs/dbraw/zinc/55/69/90/427556990.db2.gz SIOLUZWBBFZYMX-JKOKRWQUSA-N 1 0 310.781 2.841 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000341761744 271892293 /nfs/dbraw/zinc/89/22/93/271892293.db2.gz RIZQECVXKHMNAC-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO C[C@]12CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298317241 427569646 /nfs/dbraw/zinc/56/96/46/427569646.db2.gz QPPBAIFVOPUXLX-MCIONIFRSA-N 1 0 312.316 2.605 20 5 DFBDRO Cc1nccn1CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000263816786 427581680 /nfs/dbraw/zinc/58/16/80/427581680.db2.gz OTPVZOYWLCRVFR-QPJJXVBHSA-N 1 0 300.362 2.793 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000192680816 427585512 /nfs/dbraw/zinc/58/55/12/427585512.db2.gz PMYCNCPJYRUFHT-CYBMUJFWSA-N 1 0 309.414 2.509 20 5 DFBDRO Cc1cnc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000185040863 427588040 /nfs/dbraw/zinc/58/80/40/427588040.db2.gz DRAXQDFTDSSFSE-MFKMUULPSA-N 1 0 307.375 2.744 20 5 DFBDRO CS[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000272034207 427605049 /nfs/dbraw/zinc/60/50/49/427605049.db2.gz NKKVGOAXZUHHJK-BYCMXARLSA-N 1 0 309.435 2.633 20 5 DFBDRO CCC[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000298437345 427610707 /nfs/dbraw/zinc/61/07/07/427610707.db2.gz BNNZGLMWJUDSAM-LBPRGKRZSA-N 1 0 305.378 2.604 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@H]1CO ZINC000294337406 427627138 /nfs/dbraw/zinc/62/71/38/427627138.db2.gz AMVDLAIOAMRXHF-KOLCDFICSA-N 1 0 318.295 2.674 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272107227 427634852 /nfs/dbraw/zinc/63/48/52/427634852.db2.gz MQAPKPWBDWADLX-ZDUSSCGKSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@H](CO)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000287630084 427657646 /nfs/dbraw/zinc/65/76/46/427657646.db2.gz FSFXZMLQEQKBBE-LLVKDONJSA-N 1 0 323.349 2.628 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000279396373 427661831 /nfs/dbraw/zinc/66/18/31/427661831.db2.gz ZFXDHLWUWOESBH-MDZLAQPJSA-N 1 0 321.377 2.709 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342579558 272027959 /nfs/dbraw/zinc/02/79/59/272027959.db2.gz UKCCGLYRQLFRQP-TXEJJXNPSA-N 1 0 323.368 2.727 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccoc1 ZINC000342629575 272032735 /nfs/dbraw/zinc/03/27/35/272032735.db2.gz HQSHJEBAUXQEFZ-NSHDSACASA-N 1 0 303.318 2.647 20 5 DFBDRO C[C@H]1C[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000287683340 427668905 /nfs/dbraw/zinc/66/89/05/427668905.db2.gz COEXLWBXUBPQEI-DTWKUNHWSA-N 1 0 319.390 2.637 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000343246591 272103937 /nfs/dbraw/zinc/10/39/37/272103937.db2.gz FFHDNJHKQOFATB-JQWIXIFHSA-N 1 0 305.338 2.519 20 5 DFBDRO CC[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000343275983 272110412 /nfs/dbraw/zinc/11/04/12/272110412.db2.gz UOGLSXHCPGTZKR-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H](C)C1 ZINC000343282762 272112715 /nfs/dbraw/zinc/11/27/15/272112715.db2.gz IXUSIUZOZQTDAJ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000343463527 272153494 /nfs/dbraw/zinc/15/34/94/272153494.db2.gz UDJJEHJJUYZWFH-GWCFXTLKSA-N 1 0 323.418 2.529 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000343557036 272169966 /nfs/dbraw/zinc/16/99/66/272169966.db2.gz SQWVLAGVVLJHLN-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000343645238 272192184 /nfs/dbraw/zinc/19/21/84/272192184.db2.gz JJSDXHBPIGFMGX-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000343810701 272224174 /nfs/dbraw/zinc/22/41/74/272224174.db2.gz QXXKSZHZWYITLF-OCCSQVGLSA-N 1 0 317.393 2.740 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000193282122 427680471 /nfs/dbraw/zinc/68/04/71/427680471.db2.gz GCJBLETYOSWSAX-OCCSQVGLSA-N 1 0 320.345 2.587 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937639 272240806 /nfs/dbraw/zinc/24/08/06/272240806.db2.gz STBDTBIAPOMHEM-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344009829 272249308 /nfs/dbraw/zinc/24/93/08/272249308.db2.gz INUQGLXCTMTCJW-CYBMUJFWSA-N 1 0 303.362 2.574 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000344045603 272252799 /nfs/dbraw/zinc/25/27/99/272252799.db2.gz JYTSNVQMFQCQDN-APHBMKBZSA-N 1 0 320.389 2.585 20 5 DFBDRO CN(C(=O)C[N@H+](C)C[C@@H]1CC=CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000344056602 272253352 /nfs/dbraw/zinc/25/33/52/272253352.db2.gz JUZZFAXECKQMGM-CQSZACIVSA-N 1 0 317.389 2.846 20 5 DFBDRO CC(=O)c1cc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000287745221 427683326 /nfs/dbraw/zinc/68/33/26/427683326.db2.gz MJPGGGWNVANHDQ-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000344326128 272313196 /nfs/dbraw/zinc/31/31/96/272313196.db2.gz BTSLXDFNXIRRBL-HOTGVXAUSA-N 1 0 306.362 2.651 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000344799039 272371927 /nfs/dbraw/zinc/37/19/27/272371927.db2.gz YQTOSZRSCKUBIC-BIPYJSMBSA-N 1 0 304.268 2.511 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)[nH]c1=O ZINC000344807732 272372595 /nfs/dbraw/zinc/37/25/95/272372595.db2.gz HQLUAIJYASISLN-IZZDOVSWSA-N 1 0 314.345 2.592 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cccn1 ZINC000344857975 272377422 /nfs/dbraw/zinc/37/74/22/272377422.db2.gz GGBQRLXSCLCKEM-SDNWHVSQSA-N 1 0 300.362 2.875 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000345028229 272395609 /nfs/dbraw/zinc/39/56/09/272395609.db2.gz KFKHLHUVHMPDTI-AWEZNQCLSA-N 1 0 314.341 2.915 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295121922 427702409 /nfs/dbraw/zinc/70/24/09/427702409.db2.gz WWYUTHRKSITVSD-NSHDSACASA-N 1 0 317.393 2.638 20 5 DFBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(C(=O)OC)CCC1 ZINC000272330730 427711890 /nfs/dbraw/zinc/71/18/90/427711890.db2.gz KFUAUZVSOSGGRR-OAHLLOKOSA-N 1 0 320.389 2.849 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(Cc3ccccc3)CCCC2)c1 ZINC000185832288 427717325 /nfs/dbraw/zinc/71/73/25/427717325.db2.gz NSWPICVVBXANGB-UHFFFAOYSA-N 1 0 314.389 2.936 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]Cc2cccnc2)c(F)c1 ZINC000336851906 427758431 /nfs/dbraw/zinc/75/84/31/427758431.db2.gz FSQAUOOEMHLGGV-UHFFFAOYSA-N 1 0 304.325 2.721 20 5 DFBDRO COc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339386766 427765969 /nfs/dbraw/zinc/76/59/69/427765969.db2.gz BLRPWIBQRKEGIG-SNVBAGLBSA-N 1 0 306.322 2.699 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000336866725 427767004 /nfs/dbraw/zinc/76/70/04/427767004.db2.gz NWPSXGSTWMEIDA-LBPRGKRZSA-N 1 0 313.357 2.805 20 5 DFBDRO CCNC(=O)[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000339431389 427773999 /nfs/dbraw/zinc/77/39/99/427773999.db2.gz LWCHJJINQWZKOF-MRXNPFEDSA-N 1 0 321.421 2.969 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NCC[N@@H+](C)Cc1ccccc1 ZINC000301204232 427781896 /nfs/dbraw/zinc/78/18/96/427781896.db2.gz RNZHKFQLWCDEQX-UHFFFAOYSA-N 1 0 300.362 2.842 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nccnc1C ZINC000339532202 427788979 /nfs/dbraw/zinc/78/89/79/427788979.db2.gz BBCYIZCTGJALOI-RAXLEYEMSA-N 1 0 312.373 2.929 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334007508 427726169 /nfs/dbraw/zinc/72/61/69/427726169.db2.gz BQORSUHUZATKQE-JSGCOSHPSA-N 1 0 319.405 2.733 20 5 DFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000299037959 427741150 /nfs/dbraw/zinc/74/11/50/427741150.db2.gz FLLHWQMBAXFYBA-LLVKDONJSA-N 1 0 311.407 2.508 20 5 DFBDRO Cc1ccnc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000301483141 427799217 /nfs/dbraw/zinc/79/92/17/427799217.db2.gz XONKZJUSTWUKPR-CQSZACIVSA-N 1 0 304.394 2.975 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339613392 427801060 /nfs/dbraw/zinc/80/10/60/427801060.db2.gz DPNCALRDNCYLJE-KBPBESRZSA-N 1 0 321.421 2.906 20 5 DFBDRO COc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000337188514 427812579 /nfs/dbraw/zinc/81/25/79/427812579.db2.gz QWVJKEYMBFGXOE-SNVBAGLBSA-N 1 0 302.334 2.553 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+]1CCCC1 ZINC000337221843 427817634 /nfs/dbraw/zinc/81/76/34/427817634.db2.gz FFVBFVFUWIYGKH-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000339727442 427818031 /nfs/dbraw/zinc/81/80/31/427818031.db2.gz KCPSEHRYKHRUBF-MRXNPFEDSA-N 1 0 322.405 2.750 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000355673252 427845045 /nfs/dbraw/zinc/84/50/45/427845045.db2.gz AOYXTBVQXXZXKV-CYBMUJFWSA-N 1 0 310.394 2.880 20 5 DFBDRO CC(C)[N@H+](C)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345652013 427845247 /nfs/dbraw/zinc/84/52/47/427845247.db2.gz BBEVVAWMRRAMKC-HNNXBMFYSA-N 1 0 323.418 2.509 20 5 DFBDRO Cc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302020886 427847391 /nfs/dbraw/zinc/84/73/91/427847391.db2.gz NSYIVXDOHFYPHU-ZBEGNZNMSA-N 1 0 314.389 2.838 20 5 DFBDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000346307997 272617211 /nfs/dbraw/zinc/61/72/11/272617211.db2.gz GLYIAZNQWMIPMQ-LBPRGKRZSA-N 1 0 321.421 2.962 20 5 DFBDRO CC[C@H](Cn1cncn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000340527074 427872960 /nfs/dbraw/zinc/87/29/60/427872960.db2.gz RFRJMHHOPKIBSP-OAHLLOKOSA-N 1 0 317.393 2.577 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302855530 427878872 /nfs/dbraw/zinc/87/88/72/427878872.db2.gz LHQUCNXFOPSYRI-CYBMUJFWSA-N 1 0 311.357 2.503 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000355781190 427890073 /nfs/dbraw/zinc/89/00/73/427890073.db2.gz PJENUOYIWMDRPV-TZMCWYRMSA-N 1 0 307.394 2.939 20 5 DFBDRO CC1=CC[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000339973393 427891780 /nfs/dbraw/zinc/89/17/80/427891780.db2.gz BARAVXQXJKSKKQ-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413225479 427995523 /nfs/dbraw/zinc/99/55/23/427995523.db2.gz GVLXXUFPTSFUME-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341259568 428030444 /nfs/dbraw/zinc/03/04/44/428030444.db2.gz CDQVJJWZSLNHHB-BETUJISGSA-N 1 0 320.393 2.979 20 5 DFBDRO Cc1c(C[NH2+]Cc2ccc([S@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000359835036 428037311 /nfs/dbraw/zinc/03/73/11/428037311.db2.gz VUYKCQLPVGCFNR-QFIPXVFZSA-N 1 0 318.398 2.930 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H](C)[N@H+]1C ZINC000413293614 428012210 /nfs/dbraw/zinc/01/22/10/428012210.db2.gz HJQQCTIWDRQIRW-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000369617748 428018040 /nfs/dbraw/zinc/01/80/40/428018040.db2.gz QXLADPHPGJWPEH-AWEZNQCLSA-N 1 0 314.389 2.794 20 5 DFBDRO Cc1cc(N[C@H](C)[C@@H](C)N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909296 428073522 /nfs/dbraw/zinc/07/35/22/428073522.db2.gz HWECTOWIBWJJHO-VXGBXAGGSA-N 1 0 311.357 2.563 20 5 DFBDRO Cc1c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212269 428085841 /nfs/dbraw/zinc/08/58/41/428085841.db2.gz AATOSRRGFVRCOW-DYVFJYSZSA-N 1 0 320.389 2.673 20 5 DFBDRO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046230 428118265 /nfs/dbraw/zinc/11/82/65/428118265.db2.gz QHYIKHQQYIMRLD-CMPLNLGQSA-N 1 0 306.391 2.768 20 5 DFBDRO COc1cc(CN2CCO[C@H](c3ccco3)C2)ccc1[N+](=O)[O-] ZINC000352545967 428145859 /nfs/dbraw/zinc/14/58/59/428145859.db2.gz NVUFEJLILKIJMP-INIZCTEOSA-N 1 0 318.329 2.770 20 5 DFBDRO Cc1cc(N2CC[C@](O)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377492418 428139478 /nfs/dbraw/zinc/13/94/78/428139478.db2.gz VGXCWHWHSQREGZ-QGZVFWFLSA-N 1 0 313.357 2.803 20 5 DFBDRO Cc1cc(N2CC([NH+](C)C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360075283 428149462 /nfs/dbraw/zinc/14/94/62/428149462.db2.gz TVGSFXYVJLYLNN-UHFFFAOYSA-N 1 0 303.284 2.672 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CC2)c2c(c1)COCO2 ZINC000377533765 428151141 /nfs/dbraw/zinc/15/11/41/428151141.db2.gz MEKXTEQYPUTGEE-HNNXBMFYSA-N 1 0 304.346 2.836 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000352609531 428168200 /nfs/dbraw/zinc/16/82/00/428168200.db2.gz UMRRLZFSNJYSQP-GXTWGEPZSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@@H]1C[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000352620680 428173109 /nfs/dbraw/zinc/17/31/09/428173109.db2.gz HAKRZJJAFYRCLP-CHWSQXEVSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[N@@H+]1CCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)[C@H](C)C1 ZINC000352696279 428208477 /nfs/dbraw/zinc/20/84/77/428208477.db2.gz JCPZMXRBSKOGMI-CQSZACIVSA-N 1 0 321.421 2.908 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352699834 428211366 /nfs/dbraw/zinc/21/13/66/428211366.db2.gz SGHCCDLDLRFECB-LSDHHAIUSA-N 1 0 308.378 2.727 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360230432 428213149 /nfs/dbraw/zinc/21/31/49/428213149.db2.gz OJBBALSLLTXBOA-IUODEOHRSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[C@H]1C[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515500 428213123 /nfs/dbraw/zinc/21/31/23/428213123.db2.gz DTXXXNSDCOZOEU-BBRMVZONSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000377778554 428224530 /nfs/dbraw/zinc/22/45/30/428224530.db2.gz KFVFRRDXQZEZIG-JTQLQIEISA-N 1 0 306.753 2.618 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414206280 428235179 /nfs/dbraw/zinc/23/51/79/428235179.db2.gz PSJDBMSUHNROOY-MELADBBJSA-N 1 0 310.398 2.537 20 5 DFBDRO CC(C)(CC(N)=O)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000289455163 273504572 /nfs/dbraw/zinc/50/45/72/273504572.db2.gz FMMIOELOMVRLKK-UHFFFAOYSA-N 1 0 320.176 2.645 20 5 DFBDRO CC(C)CC[NH+]1CCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302831121 273508997 /nfs/dbraw/zinc/50/89/97/273508997.db2.gz KXZCRRRAJGZDQU-UHFFFAOYSA-N 1 0 318.421 2.731 20 5 DFBDRO CCC[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000352828766 428268975 /nfs/dbraw/zinc/26/89/75/428268975.db2.gz ZRWBCPNCUKJGHV-OAHLLOKOSA-N 1 0 304.350 2.520 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)cc1[N+](=O)[O-] ZINC000341999832 428275493 /nfs/dbraw/zinc/27/54/93/428275493.db2.gz YLAPKVCPWAEVGC-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H](C)[N@H+](C)C1CC1 ZINC000342053709 428287201 /nfs/dbraw/zinc/28/72/01/428287201.db2.gz IEHIFMKHXJIIHZ-LLVKDONJSA-N 1 0 321.377 2.584 20 5 DFBDRO Cc1cnn(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000341897384 428243714 /nfs/dbraw/zinc/24/37/14/428243714.db2.gz BGWNXGNJWIFJBY-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO COc1cc(C[N@H+](C(C)C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352783050 428246823 /nfs/dbraw/zinc/24/68/23/428246823.db2.gz HTIUWKIHWQINPJ-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000352794313 428250726 /nfs/dbraw/zinc/25/07/26/428250726.db2.gz RIEOLYMHHUCVFA-KWQFWETISA-N 1 0 300.355 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000352793875 428252174 /nfs/dbraw/zinc/25/21/74/428252174.db2.gz QLVQDENVWUSMCU-FZMZJTMJSA-N 1 0 323.418 2.573 20 5 DFBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000346656262 428259714 /nfs/dbraw/zinc/25/97/14/428259714.db2.gz NHUSFHFWGQRABT-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CCC[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346661943 428261169 /nfs/dbraw/zinc/26/11/69/428261169.db2.gz UWUGKXVMQIIIKJ-AWEZNQCLSA-N 1 0 307.394 2.532 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000370855646 428308692 /nfs/dbraw/zinc/30/86/92/428308692.db2.gz FUHCXSLVXPZILY-CQSZACIVSA-N 1 0 314.389 2.954 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000346796525 428323044 /nfs/dbraw/zinc/32/30/44/428323044.db2.gz SFXCOUXHLSVOSM-GOEBONIOSA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414523639 428327755 /nfs/dbraw/zinc/32/77/55/428327755.db2.gz YPMCBOGWBMWBOJ-WOPDTQHZSA-N 1 0 324.377 2.515 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346828798 428335657 /nfs/dbraw/zinc/33/56/57/428335657.db2.gz ITBIEEJJQHSEKI-CWRNSKLLSA-N 1 0 303.406 2.887 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000371065749 428352474 /nfs/dbraw/zinc/35/24/74/428352474.db2.gz QGBHPVYPBBNESM-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000353123262 428392013 /nfs/dbraw/zinc/39/20/13/428392013.db2.gz WRROAKJQDQYLHA-QFIPXVFZSA-N 1 0 318.398 2.763 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357110262 428392751 /nfs/dbraw/zinc/39/27/51/428392751.db2.gz KEPBTNRZSHAHGS-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO Cc1c(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000357155483 428411753 /nfs/dbraw/zinc/41/17/53/428411753.db2.gz GCZBRFIDJSJTMD-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(/C=C(/C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414639871 428364195 /nfs/dbraw/zinc/36/41/95/428364195.db2.gz FWPXQMKRJUJXQL-HIJJYWJESA-N 1 0 302.334 2.689 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000378352782 428375276 /nfs/dbraw/zinc/37/52/76/428375276.db2.gz XBEHUBBPHLMIEO-LERPRCHQSA-N 1 0 301.390 2.778 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](CO)c2cccnc2)c(Cl)c1 ZINC000342286769 428384155 /nfs/dbraw/zinc/38/41/55/428384155.db2.gz TUMBUPAHDMBPSD-CYBMUJFWSA-N 1 0 321.764 2.509 20 5 DFBDRO COc1ccc(CN[C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414855065 428435920 /nfs/dbraw/zinc/43/59/20/428435920.db2.gz VWNYQNWLTCCKEF-CQSZACIVSA-N 1 0 307.394 2.601 20 5 DFBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347089338 428440089 /nfs/dbraw/zinc/44/00/89/428440089.db2.gz DSARFPVJBFEBFN-GFCCVEGCSA-N 1 0 301.346 2.778 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000360855674 428464352 /nfs/dbraw/zinc/46/43/52/428464352.db2.gz FQRCFAFZYXTEGO-STQMWFEESA-N 1 0 300.362 2.975 20 5 DFBDRO CC[NH2+][C@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414950248 428468374 /nfs/dbraw/zinc/46/83/74/428468374.db2.gz GCUUGSHZVIZNAT-GFCCVEGCSA-N 1 0 303.362 2.942 20 5 DFBDRO CCOc1cc(N2CC[NH+](CC3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000360726983 428418241 /nfs/dbraw/zinc/41/82/41/428418241.db2.gz UBCCZSIXXAATIC-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390269407 428469958 /nfs/dbraw/zinc/46/99/58/428469958.db2.gz XSTNKAIXHMIFPQ-SECBINFHSA-N 1 0 320.176 2.692 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360896376 428483898 /nfs/dbraw/zinc/48/38/98/428483898.db2.gz GEASYIJERMCYOC-CYBMUJFWSA-N 1 0 319.405 2.942 20 5 DFBDRO CC1=CC[N@H+](CCNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC000360901988 428484975 /nfs/dbraw/zinc/48/49/75/428484975.db2.gz RCBBPISKEVBJLL-UHFFFAOYSA-N 1 0 323.780 2.630 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360915140 428489167 /nfs/dbraw/zinc/48/91/67/428489167.db2.gz VJJWKVJZNSZDGC-LBPRGKRZSA-N 1 0 307.398 2.548 20 5 DFBDRO Cc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039515 428495944 /nfs/dbraw/zinc/49/59/44/428495944.db2.gz JAMCLUGNCKPPTP-CVEARBPZSA-N 1 0 303.406 2.867 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000360953382 428508146 /nfs/dbraw/zinc/50/81/46/428508146.db2.gz KPJRJWXAZAIADJ-CYBMUJFWSA-N 1 0 309.414 2.652 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000343071577 428515157 /nfs/dbraw/zinc/51/51/57/428515157.db2.gz FYMGWFOGKOURFW-CHWSQXEVSA-N 1 0 319.405 2.896 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1ccccc1F ZINC000415118006 428527670 /nfs/dbraw/zinc/52/76/70/428527670.db2.gz GKSVRPWSOAURCK-DOTOQJQBSA-N 1 0 315.348 2.661 20 5 DFBDRO CC[NH2+][C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414962187 428475953 /nfs/dbraw/zinc/47/59/53/428475953.db2.gz SDMKFWLGKUKIGH-LLVKDONJSA-N 1 0 320.418 2.806 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415477505 428585175 /nfs/dbraw/zinc/58/51/75/428585175.db2.gz BICUSDKBUWNKNH-ZUZCIYMTSA-N 1 0 320.393 2.803 20 5 DFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000347470475 428586759 /nfs/dbraw/zinc/58/67/59/428586759.db2.gz PJYBDKNOCOVCJM-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415488225 428588899 /nfs/dbraw/zinc/58/88/99/428588899.db2.gz UYVGHFMHJAFTOF-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415499235 428590772 /nfs/dbraw/zinc/59/07/72/428590772.db2.gz KATGYZFTJUURHA-CYBMUJFWSA-N 1 0 308.382 2.740 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000343886776 428592130 /nfs/dbraw/zinc/59/21/30/428592130.db2.gz LHBPVUUVXAUAGU-UHFFFAOYSA-N 1 0 324.377 2.637 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415298669 428565946 /nfs/dbraw/zinc/56/59/46/428565946.db2.gz PKJXHZYNMVHDGO-YGRLFVJLSA-N 1 0 320.393 2.803 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1OC ZINC000347375162 428566440 /nfs/dbraw/zinc/56/64/40/428566440.db2.gz NWOOWXWJMKINSL-GYOLVPGYSA-N 1 0 320.389 2.780 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000357938555 428571861 /nfs/dbraw/zinc/57/18/61/428571861.db2.gz RTCUERWIEHDTBW-STQMWFEESA-N 1 0 322.409 2.684 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000408147641 428608532 /nfs/dbraw/zinc/60/85/32/428608532.db2.gz HBXPFWBAWVUOPP-CHWSQXEVSA-N 1 0 320.393 2.768 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(CCO)CCCCC1 ZINC000353655690 428640064 /nfs/dbraw/zinc/64/00/64/428640064.db2.gz YXLAVBVFBPHPNC-UHFFFAOYSA-N 1 0 308.378 2.649 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC23CCOCC3)c([N+](=O)[O-])cc1F ZINC000368403992 274093473 /nfs/dbraw/zinc/09/34/73/274093473.db2.gz UFUQGEOXUIHFLQ-UHFFFAOYSA-N 1 0 324.352 2.888 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000262115806 274117982 /nfs/dbraw/zinc/11/79/82/274117982.db2.gz KDLDDDDCSCHHQU-UHFFFAOYSA-N 1 0 305.378 2.572 20 5 DFBDRO CSC1(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000368225223 274174482 /nfs/dbraw/zinc/17/44/82/274174482.db2.gz GYRMLLQJKXVFEJ-GFCCVEGCSA-N 1 0 310.423 2.714 20 5 DFBDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357046326 274205494 /nfs/dbraw/zinc/20/54/94/274205494.db2.gz UWTZVDDTRPNATO-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000348221028 428662688 /nfs/dbraw/zinc/66/26/88/428662688.db2.gz DHOLSLWIYYLKJW-CXAGYDPISA-N 1 0 320.389 2.863 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000353771454 428707492 /nfs/dbraw/zinc/70/74/92/428707492.db2.gz SPEUTMJTDBXFER-UHFFFAOYSA-N 1 0 324.377 2.672 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1 ZINC000358871963 428713365 /nfs/dbraw/zinc/71/33/65/428713365.db2.gz QIOVKSQNZCQTFV-UHFFFAOYSA-N 1 0 323.441 2.585 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCN3CCC3)cs2)c1 ZINC000344848311 428713734 /nfs/dbraw/zinc/71/37/34/428713734.db2.gz PWGLRZRGDMLBGC-UHFFFAOYSA-N 1 0 318.402 2.514 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[NH+](C)C ZINC000362349287 428715348 /nfs/dbraw/zinc/71/53/48/428715348.db2.gz UEFZIQAWACMCBR-LLVKDONJSA-N 1 0 318.352 3.158 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344894924 428720143 /nfs/dbraw/zinc/72/01/43/428720143.db2.gz YRJXCNXFUZZNEG-UELRPHRMSA-N 1 0 319.405 2.893 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000353797233 428720383 /nfs/dbraw/zinc/72/03/83/428720383.db2.gz RFAIWKNRZSOVIT-HZUKXOBISA-N 1 0 319.405 2.939 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000374497251 428686943 /nfs/dbraw/zinc/68/69/43/428686943.db2.gz RNISAWSSHSMFNZ-IMRBUKKESA-N 1 0 316.386 2.594 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCc2nccn2C1 ZINC000374863941 428767040 /nfs/dbraw/zinc/76/70/40/428767040.db2.gz PTBHMLXUWBPBSN-ZDUSSCGKSA-N 1 0 318.352 2.625 20 5 DFBDRO CO[C@@H](C)C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411285358 428772721 /nfs/dbraw/zinc/77/27/21/428772721.db2.gz RGFLWADYOSSRFS-ZDUSSCGKSA-N 1 0 323.393 2.669 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])c1 ZINC000411315696 428776856 /nfs/dbraw/zinc/77/68/56/428776856.db2.gz JBZFYLQHVWKAPF-VXGBXAGGSA-N 1 0 321.377 2.805 20 5 DFBDRO C[C@@H](Cn1cccn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000345161949 428779985 /nfs/dbraw/zinc/77/99/85/428779985.db2.gz LWIDCCGQWZRDFI-AWEZNQCLSA-N 1 0 302.378 2.792 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000375302928 428849362 /nfs/dbraw/zinc/84/93/62/428849362.db2.gz MODGIBOZIAFWGS-YLVFBTJISA-N 1 0 317.389 2.611 20 5 DFBDRO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H]1C[NH3+] ZINC000261837352 274555549 /nfs/dbraw/zinc/55/55/49/274555549.db2.gz CEACZZHLHMUFKA-MEDUHNTESA-N 1 0 300.362 2.707 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359083715 428807407 /nfs/dbraw/zinc/80/74/07/428807407.db2.gz PJBKMDFTIQFPJZ-KGLIPLIRSA-N 1 0 306.410 2.916 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000362856882 428809517 /nfs/dbraw/zinc/80/95/17/428809517.db2.gz UJCCOKHLHYWYLB-UHFFFAOYSA-N 1 0 315.377 3.110 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)n1 ZINC000359096581 428814239 /nfs/dbraw/zinc/81/42/39/428814239.db2.gz PJUBLJAVSNEXAG-KGLIPLIRSA-N 1 0 304.394 2.670 20 5 DFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471297 274592466 /nfs/dbraw/zinc/59/24/66/274592466.db2.gz RWNAFMHTYZISAO-IUCAKERBSA-N 1 0 314.183 2.544 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000345279628 428827568 /nfs/dbraw/zinc/82/75/68/428827568.db2.gz VXDPLHZASNIDSE-OLZOCXBDSA-N 1 0 320.393 2.816 20 5 DFBDRO C[C@@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375243035 428828692 /nfs/dbraw/zinc/82/86/92/428828692.db2.gz SXLRQORRBXUEMM-XJKSGUPXSA-N 1 0 320.389 2.519 20 5 DFBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000297560106 274600213 /nfs/dbraw/zinc/60/02/13/274600213.db2.gz RLSAGXIRMZHSQZ-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000363026687 428843926 /nfs/dbraw/zinc/84/39/26/428843926.db2.gz LJDYEHJOJHYGGS-NWDGAFQWSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000363021371 428844043 /nfs/dbraw/zinc/84/40/43/428844043.db2.gz MKMXIPMJBPXPHS-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363187354 428879644 /nfs/dbraw/zinc/87/96/44/428879644.db2.gz LMPXWEYUXGZVAG-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000359306156 428911258 /nfs/dbraw/zinc/91/12/58/428911258.db2.gz ROYVCDHIKVZEDG-MRXNPFEDSA-N 1 0 318.352 2.980 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000418118887 428882303 /nfs/dbraw/zinc/88/23/03/428882303.db2.gz UAUNHTYJHYYTPX-DRQUAOQDSA-N 1 0 302.330 2.858 20 5 DFBDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000412028913 428912316 /nfs/dbraw/zinc/91/23/16/428912316.db2.gz BPTDQZZTXDVDOR-HNNXBMFYSA-N 1 0 317.389 2.572 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449845 428916458 /nfs/dbraw/zinc/91/64/58/428916458.db2.gz NGDVEMDRPSPMMX-SJORKVTESA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043872 428925153 /nfs/dbraw/zinc/92/51/53/428925153.db2.gz PUXWOAQJSAELIV-WCQYABFASA-N 1 0 315.377 2.880 20 5 DFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000412051625 428928150 /nfs/dbraw/zinc/92/81/50/428928150.db2.gz WUSVUQHVGLXNIU-KKUMJFAQSA-N 1 0 320.389 2.586 20 5 DFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000412051627 428929011 /nfs/dbraw/zinc/92/90/11/428929011.db2.gz WUSVUQHVGLXNIU-SOUVJXGZSA-N 1 0 320.389 2.586 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072735 428940672 /nfs/dbraw/zinc/94/06/72/428940672.db2.gz PWKMOXSZTSYXHY-BLLLJJGKSA-N 1 0 306.362 2.931 20 5 DFBDRO Cc1nc(NC[C@H]([NH3+])c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000420206722 428947761 /nfs/dbraw/zinc/94/77/61/428947761.db2.gz FCNVHMICVBWBHD-HNNXBMFYSA-N 1 0 314.389 3.534 20 5 DFBDRO CC(C)C[C@H](C[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420193924 428948122 /nfs/dbraw/zinc/94/81/22/428948122.db2.gz UMFUOONRNJUJEB-GFCCVEGCSA-N 1 0 320.418 3.504 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCCCC2 ZINC000375701231 428948950 /nfs/dbraw/zinc/94/89/50/428948950.db2.gz MQAWISRXECNOKG-ZIAGYGMSSA-N 1 0 322.409 2.546 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420242644 428950017 /nfs/dbraw/zinc/95/00/17/428950017.db2.gz PFJIOVLRLVYQSL-MFKMUULPSA-N 1 0 318.402 3.128 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000420255756 428952898 /nfs/dbraw/zinc/95/28/98/428952898.db2.gz IEXFNAXCEVTGLK-BETUJISGSA-N 1 0 314.389 3.320 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(NCCC[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000420271123 428955203 /nfs/dbraw/zinc/95/52/03/428955203.db2.gz KCKXDZLGQRUIPK-ZDUSSCGKSA-N 1 0 300.362 3.087 20 5 DFBDRO C[NH+](C)CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000349284882 428957072 /nfs/dbraw/zinc/95/70/72/428957072.db2.gz SBNGNPQIFBTFIX-UHFFFAOYSA-N 1 0 314.389 2.554 20 5 DFBDRO CC(C)c1ccc(CN2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000349302471 428958128 /nfs/dbraw/zinc/95/81/28/428958128.db2.gz WXIITHHNRZSJEB-UHFFFAOYSA-N 1 0 303.406 2.998 20 5 DFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000363641681 428960650 /nfs/dbraw/zinc/96/06/50/428960650.db2.gz QKWBPLRODKFCCQ-YUELXQCFSA-N 1 0 308.353 2.979 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451907503 429016841 /nfs/dbraw/zinc/01/68/41/429016841.db2.gz HSIXXMQSUZFTIF-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)c(Cl)c1 ZINC000433236632 429016885 /nfs/dbraw/zinc/01/68/85/429016885.db2.gz ZQFKMXOMQLREMC-UHFFFAOYSA-N 1 0 312.732 2.716 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)C(C)C ZINC000421745129 429024309 /nfs/dbraw/zinc/02/43/09/429024309.db2.gz SWGAIYZPTWHBAB-UHFFFAOYSA-N 1 0 307.394 2.672 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000451952935 429024914 /nfs/dbraw/zinc/02/49/14/429024914.db2.gz IGNORQWKIRPRFS-NWDGAFQWSA-N 1 0 305.378 2.704 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806961 428981446 /nfs/dbraw/zinc/98/14/46/428981446.db2.gz BDROLKUOJZBZPI-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000433060423 428991156 /nfs/dbraw/zinc/99/11/56/428991156.db2.gz YLDIZFRQZADILL-IDQHFDBOSA-N 1 0 320.389 2.503 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000354481702 428992446 /nfs/dbraw/zinc/99/24/46/428992446.db2.gz AAGPCFGJQSFHDD-CYBMUJFWSA-N 1 0 319.405 2.686 20 5 DFBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000433081104 428993836 /nfs/dbraw/zinc/99/38/36/428993836.db2.gz FWVKDCDSBYOSBQ-OAHLLOKOSA-N 1 0 314.389 2.880 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)CCC[NH3+] ZINC000423696282 428997454 /nfs/dbraw/zinc/99/74/54/428997454.db2.gz WUPXMZXPYKUUGD-SNVBAGLBSA-N 1 0 311.407 2.564 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423709056 429002677 /nfs/dbraw/zinc/00/26/77/429002677.db2.gz QFUQAAVNKBEEJW-JSGCOSHPSA-N 1 0 319.405 2.966 20 5 DFBDRO C[C@@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020379 429040297 /nfs/dbraw/zinc/04/02/97/429040297.db2.gz ZITYGSBPBXZWIU-CHWSQXEVSA-N 1 0 308.378 2.597 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000421854824 429040621 /nfs/dbraw/zinc/04/06/21/429040621.db2.gz LCMILUULKAFMGI-KBUPBQIOSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@@H]1NCCC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382775 429077632 /nfs/dbraw/zinc/07/76/32/429077632.db2.gz PCQJUGOTWJJBHR-VBNZEHGJSA-N 1 0 303.406 2.646 20 5 DFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623089 429153838 /nfs/dbraw/zinc/15/38/38/429153838.db2.gz BRUHGPWWOMRKMD-AWEZNQCLSA-N 1 0 307.394 2.567 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413025788 429125088 /nfs/dbraw/zinc/12/50/88/429125088.db2.gz HRUYNVFLAARPEK-CYBMUJFWSA-N 1 0 316.336 2.815 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413025303 429125288 /nfs/dbraw/zinc/12/52/88/429125288.db2.gz QCBNBCOHAVBIOO-VIFPVBQESA-N 1 0 318.299 2.905 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000376508614 429125604 /nfs/dbraw/zinc/12/56/04/429125604.db2.gz WBQJXNMSJIUEEY-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435230118 429126787 /nfs/dbraw/zinc/12/67/87/429126787.db2.gz NTNBPNBRPZRTQM-INIZCTEOSA-N 1 0 319.405 2.708 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000363868047 429132170 /nfs/dbraw/zinc/13/21/70/429132170.db2.gz MPSMMQOUWJMPTR-IRXDYDNUSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000376578635 429140777 /nfs/dbraw/zinc/14/07/77/429140777.db2.gz CHEUZZJNKWIWBQ-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1ccc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364076279 429167680 /nfs/dbraw/zinc/16/76/80/429167680.db2.gz GFZKHSKQEHAYDL-SJORKVTESA-N 1 0 320.389 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c2ncccc12 ZINC000264954660 275036168 /nfs/dbraw/zinc/03/61/68/275036168.db2.gz LTRIJMYWCPUSRY-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO CC[C@@H](CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000487867450 429170323 /nfs/dbraw/zinc/17/03/23/429170323.db2.gz CRYICCBIZIFFNN-ZDUSSCGKSA-N 1 0 314.389 2.851 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCn1cccn1)C1CC1 ZINC000126987321 275040116 /nfs/dbraw/zinc/04/01/16/275040116.db2.gz ZFAGYBCGMODZKA-MRXNPFEDSA-N 1 0 314.389 2.792 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000408468478 275040905 /nfs/dbraw/zinc/04/09/05/275040905.db2.gz NPZXKFYRYQBWEP-GFCCVEGCSA-N 1 0 308.357 2.584 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3cc(F)cc(F)c3)C2)c1 ZINC000364336606 429186477 /nfs/dbraw/zinc/18/64/77/429186477.db2.gz LAHWJIAHIAMONS-CQSZACIVSA-N 1 0 322.315 2.907 20 5 DFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722038 429190167 /nfs/dbraw/zinc/19/01/67/429190167.db2.gz NEPNXUKGNOTTBN-HEHGZKQESA-N 1 0 319.405 2.770 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000495259260 429192343 /nfs/dbraw/zinc/19/23/43/429192343.db2.gz KVJPULZZJRWEGL-LRDDRELGSA-N 1 0 308.378 2.586 20 5 DFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000495479088 429213146 /nfs/dbraw/zinc/21/31/46/429213146.db2.gz GYYDMQYRXLLXKP-JSGCOSHPSA-N 1 0 321.377 2.551 20 5 DFBDRO C[C@@H]1CC2(CCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364599704 429230424 /nfs/dbraw/zinc/23/04/24/429230424.db2.gz FBVZHCVLQBECEN-GFCCVEGCSA-N 1 0 303.362 2.798 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364617839 429235221 /nfs/dbraw/zinc/23/52/21/429235221.db2.gz BQCWOVIRFUEIIM-DAXOMENPSA-N 1 0 320.389 2.719 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H]1CC1(C)C ZINC000489470486 429244139 /nfs/dbraw/zinc/24/41/39/429244139.db2.gz FPWPAFFDKHUDOI-CQSZACIVSA-N 1 0 305.378 2.962 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000425278783 429256260 /nfs/dbraw/zinc/25/62/60/429256260.db2.gz FJMHSUUMHZTRTJ-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000425355857 429274165 /nfs/dbraw/zinc/27/41/65/429274165.db2.gz MNAMHKZNIDPNEH-SWLSCSKDSA-N 1 0 309.797 2.774 20 5 DFBDRO CCc1ccc(C(=O)N2CC[NH+]([C@@H](C)CC)CC2)cc1[N+](=O)[O-] ZINC000456539574 429320594 /nfs/dbraw/zinc/32/05/94/429320594.db2.gz YJBVLXQPSMSWAQ-ZDUSSCGKSA-N 1 0 319.405 2.714 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425554847 429320839 /nfs/dbraw/zinc/32/08/39/429320839.db2.gz WYMBDORIIWLSGY-NEPJUHHUSA-N 1 0 301.350 2.572 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071190 429323174 /nfs/dbraw/zinc/32/31/74/429323174.db2.gz GMZRKQGCQWSUON-KGLIPLIRSA-N 1 0 316.405 2.957 20 5 DFBDRO COc1ncccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071128 429323493 /nfs/dbraw/zinc/32/34/93/429323493.db2.gz AFYCRJSWMYSCDK-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071362 429324307 /nfs/dbraw/zinc/32/43/07/429324307.db2.gz BFNOVTKDCCVVFB-LSDHHAIUSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000449164936 429347539 /nfs/dbraw/zinc/34/75/39/429347539.db2.gz RYJAUTHYBPVFAG-JMGFVUJMSA-N 1 0 304.390 2.929 20 5 DFBDRO CC(C)(CCc1ccccc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000151942532 275547696 /nfs/dbraw/zinc/54/76/96/275547696.db2.gz MUKSCHAUXFVKRY-UHFFFAOYSA-N 1 0 302.378 2.792 20 5 DFBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000365567615 429341913 /nfs/dbraw/zinc/34/19/13/429341913.db2.gz CFJKLEWEYWHEOQ-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425513676 429314491 /nfs/dbraw/zinc/31/44/91/429314491.db2.gz OKZAXSSZVBIAAR-ZFWWWQNUSA-N 1 0 315.377 2.893 20 5 DFBDRO CC(C)c1nnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449404665 429405527 /nfs/dbraw/zinc/40/55/27/429405527.db2.gz DLIRMENNGNQNDR-LLVKDONJSA-N 1 0 303.366 2.557 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)c1ccccc1 ZINC000449168511 429349193 /nfs/dbraw/zinc/34/91/93/429349193.db2.gz DPMQIPSQXAVGQB-WMLDXEAASA-N 1 0 314.385 2.892 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000449181645 429350832 /nfs/dbraw/zinc/35/08/32/429350832.db2.gz IBZRZVUDDXEHTD-OCCSQVGLSA-N 1 0 319.405 2.515 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000449188010 429352209 /nfs/dbraw/zinc/35/22/09/429352209.db2.gz FLJTXRLAJQKCJH-ZENOOKHLSA-N 1 0 303.406 2.598 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cc(Cl)sc2Cl)c1 ZINC000449188468 429352723 /nfs/dbraw/zinc/35/27/23/429352723.db2.gz FVNNSERREXVQPM-UHFFFAOYSA-N 1 0 321.189 2.949 20 5 DFBDRO CCn1nnc(C)c1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449244102 429365837 /nfs/dbraw/zinc/36/58/37/429365837.db2.gz PTCCDSVIEJQRTC-UHFFFAOYSA-N 1 0 303.366 2.540 20 5 DFBDRO C[N@H+](CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000491521265 429369289 /nfs/dbraw/zinc/36/92/89/429369289.db2.gz UBONTRRYBYZMDA-MDZDMXLPSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000449314957 429386014 /nfs/dbraw/zinc/38/60/14/429386014.db2.gz GAOXZHDNBGDYBK-SWLSCSKDSA-N 1 0 317.393 2.641 20 5 DFBDRO CC[N@H+](CCNc1nc(C)ccc1[N+](=O)[O-])CCC(F)(F)F ZINC000491665528 429388106 /nfs/dbraw/zinc/38/81/06/429388106.db2.gz LAIDXEFICQHPMH-UHFFFAOYSA-N 1 0 320.315 2.984 20 5 DFBDRO CC(C)[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285453407 275674411 /nfs/dbraw/zinc/67/44/11/275674411.db2.gz JFIVGWRRGFURNJ-PMGBHYCQSA-N 1 0 315.377 2.723 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449511077 429439982 /nfs/dbraw/zinc/43/99/82/429439982.db2.gz MTYABBAJROGJBY-NEPJUHHUSA-N 1 0 312.391 2.868 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366265942 429444155 /nfs/dbraw/zinc/44/41/55/429444155.db2.gz HEVNHIGJCWQMJP-IAGOWNOFSA-N 1 0 320.389 2.755 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449583198 429455490 /nfs/dbraw/zinc/45/54/90/429455490.db2.gz HXLRHMZDVBFZGX-CYBMUJFWSA-N 1 0 310.394 2.832 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 ZINC000449615295 429460743 /nfs/dbraw/zinc/46/07/43/429460743.db2.gz KVKAGXHSDOPXSG-RHSMWYFYSA-N 1 0 313.357 3.000 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000491826615 429415225 /nfs/dbraw/zinc/41/52/25/429415225.db2.gz AVFROOLQSIKKBQ-YPUOHESYSA-N 1 0 323.368 2.594 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275843394 275730170 /nfs/dbraw/zinc/73/01/70/275730170.db2.gz HHACGRHOVGDEQA-ACCUITESSA-N 1 0 317.389 2.599 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449455242 429422374 /nfs/dbraw/zinc/42/23/74/429422374.db2.gz BXOSSQVZDSMILD-IWUOBAOPSA-N 1 0 320.389 2.639 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)C1CCSCC1 ZINC000449689081 429480870 /nfs/dbraw/zinc/48/08/70/429480870.db2.gz XQSJYOILSREPRV-HWKANZROSA-N 1 0 322.430 2.798 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688204 429481189 /nfs/dbraw/zinc/48/11/89/429481189.db2.gz TWKVVCYKAKWUEC-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519737833 429483858 /nfs/dbraw/zinc/48/38/58/429483858.db2.gz MPQDOWCIDZDKFR-QWHCGFSZSA-N 1 0 307.394 2.545 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033064 429485422 /nfs/dbraw/zinc/48/54/22/429485422.db2.gz AKDQBMXLMSFSQO-CZUORRHYSA-N 1 0 319.405 2.566 20 5 DFBDRO C[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806666 429489681 /nfs/dbraw/zinc/48/96/81/429489681.db2.gz XPEKFSINBBNGGA-KGLIPLIRSA-N 1 0 319.405 2.546 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC12CCCCCC2 ZINC000366740658 429503464 /nfs/dbraw/zinc/50/34/64/429503464.db2.gz SWKWXAZWKHJZJI-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CC1(C)CCC[NH2+][C@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000262515293 275817049 /nfs/dbraw/zinc/81/70/49/275817049.db2.gz NJCNFGLJVDRERC-ZDUSSCGKSA-N 1 0 303.366 2.661 20 5 DFBDRO CCOc1cc(CN2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000492373020 429523905 /nfs/dbraw/zinc/52/39/05/429523905.db2.gz DPDMMUQERVSQME-UHFFFAOYSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@@H]1CCCO1)CCC2 ZINC000521536356 429555865 /nfs/dbraw/zinc/55/58/65/429555865.db2.gz ZBCQAWJEQNUOIB-DOTOQJQBSA-N 1 0 320.389 2.757 20 5 DFBDRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000521717673 429562511 /nfs/dbraw/zinc/56/25/11/429562511.db2.gz GOUWANQRWRNWAT-QEJZJMRPSA-N 1 0 319.405 2.687 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000521116448 429539199 /nfs/dbraw/zinc/53/91/99/429539199.db2.gz LPTFIRMDRPMTFA-AXCCRNSUSA-N 1 0 303.406 2.880 20 5 DFBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367307459 429616367 /nfs/dbraw/zinc/61/63/67/429616367.db2.gz IJSVEJOAHARCOY-UXEPBGEESA-N 1 0 314.341 2.740 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429574785 429617621 /nfs/dbraw/zinc/61/76/21/429617621.db2.gz BHCKSDFRLYADTQ-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC12CCOCC2 ZINC000367320346 429621263 /nfs/dbraw/zinc/62/12/63/429621263.db2.gz UGDHSGIHWYXFEV-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO C[C@@H](C[NH+](C)C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450535493 429643791 /nfs/dbraw/zinc/64/37/91/429643791.db2.gz NQRVBLMRTRCNPY-JTQLQIEISA-N 1 0 306.391 3.080 20 5 DFBDRO C[N@H+](CCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000492955191 429653228 /nfs/dbraw/zinc/65/32/28/429653228.db2.gz JBQCUPWCARXNFG-JXMROGBWSA-N 1 0 317.389 2.599 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000367453060 429649918 /nfs/dbraw/zinc/64/99/18/429649918.db2.gz XVTKNTRRDCDLHE-GJZGRUSLSA-N 1 0 306.362 2.747 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000367453062 429650703 /nfs/dbraw/zinc/65/07/03/429650703.db2.gz XVTKNTRRDCDLHE-LSDHHAIUSA-N 1 0 306.362 2.747 20 5 DFBDRO CC(C)([NH2+]CCOCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000429270450 429591855 /nfs/dbraw/zinc/59/18/55/429591855.db2.gz ILMFBUKSNSDOKX-UHFFFAOYSA-N 1 0 306.284 2.998 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450312059 429596489 /nfs/dbraw/zinc/59/64/89/429596489.db2.gz FUUCLWNZEDJGCX-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367246519 429603964 /nfs/dbraw/zinc/60/39/64/429603964.db2.gz MVHMSDHRJBOMNJ-DOMZBBRYSA-N 1 0 317.389 2.755 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)c1 ZINC000367302108 429614571 /nfs/dbraw/zinc/61/45/71/429614571.db2.gz UJZGKJQMIBGQKR-UHFFFAOYSA-N 1 0 322.315 2.605 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429551460 429614594 /nfs/dbraw/zinc/61/45/94/429614594.db2.gz YEKZXIRKZHEFHL-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CCC[N@H+]1CCCO ZINC000450595903 429656538 /nfs/dbraw/zinc/65/65/38/429656538.db2.gz MTXGGLPLGVZEID-LLVKDONJSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000430214595 429663561 /nfs/dbraw/zinc/66/35/61/429663561.db2.gz DYDGHKAUWPEHHE-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210552 429663867 /nfs/dbraw/zinc/66/38/67/429663867.db2.gz DOKSDCSJMFAVAQ-GDBMZVCRSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000430225248 429664615 /nfs/dbraw/zinc/66/46/15/429664615.db2.gz XSYJXXWTEJFJBY-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000127727081 276020566 /nfs/dbraw/zinc/02/05/66/276020566.db2.gz MLHNCQVTTLOZBY-GFCCVEGCSA-N 1 0 313.785 2.694 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000430241212 429668227 /nfs/dbraw/zinc/66/82/27/429668227.db2.gz GEARFNLHGPAONY-JSGCOSHPSA-N 1 0 307.394 2.518 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C2)cn1 ZINC000493032249 429674648 /nfs/dbraw/zinc/67/46/48/429674648.db2.gz KMELMYIZENSQOI-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCc2cccnc21 ZINC000364994197 276135063 /nfs/dbraw/zinc/13/50/63/276135063.db2.gz CCGYHYMGJZRALB-HNNXBMFYSA-N 1 0 315.377 2.586 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(OC)c1 ZINC000176209088 276350413 /nfs/dbraw/zinc/35/04/13/276350413.db2.gz WFHHXGFHLGAOGR-CYBMUJFWSA-N 1 0 318.377 2.883 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000274895226 276353326 /nfs/dbraw/zinc/35/33/26/276353326.db2.gz FOSXLJRALWNSPJ-GUDXXQAFSA-N 1 0 322.405 2.698 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704017 429702794 /nfs/dbraw/zinc/70/27/94/429702794.db2.gz OJIGNIJTVRRYCK-DRDHIDPGSA-N 1 0 312.373 2.831 20 5 DFBDRO CC(=O)c1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367713083 429704650 /nfs/dbraw/zinc/70/46/50/429704650.db2.gz PSJOHRHUZSMNOB-KBPBESRZSA-N 1 0 303.362 2.836 20 5 DFBDRO Cc1cc(N2CCOC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000367797484 429718302 /nfs/dbraw/zinc/71/83/02/429718302.db2.gz ZYKRZDOJJMFDMR-NSHDSACASA-N 1 0 301.346 2.924 20 5 DFBDRO Cc1cn2c(n1)CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000367862593 429730521 /nfs/dbraw/zinc/73/05/21/429730521.db2.gz VTKGMPYQJWARAU-UHFFFAOYSA-N 1 0 323.356 2.977 20 5 DFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368185054 429805013 /nfs/dbraw/zinc/80/50/13/429805013.db2.gz MPLDOCGUNGPTQO-KBXCAEBGSA-N 1 0 317.392 2.822 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451423528 429827614 /nfs/dbraw/zinc/82/76/14/429827614.db2.gz RYBHEWSXOSHOCS-IIAWOOMASA-N 1 0 320.389 2.599 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000451506379 429838840 /nfs/dbraw/zinc/83/88/40/429838840.db2.gz VPCSROBVDZTOMK-VCTAVGKDSA-N 1 0 308.378 2.753 20 5 DFBDRO Nc1c(F)c(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000432844421 429844709 /nfs/dbraw/zinc/84/47/09/429844709.db2.gz XKQAZWABIXKTIR-LBPRGKRZSA-N 1 0 322.384 2.771 20 5 DFBDRO CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000451545091 429849457 /nfs/dbraw/zinc/84/94/57/429849457.db2.gz NSIJYIAYUGLUSM-ZWNOBZJWSA-N 1 0 305.334 2.593 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451619132 429862466 /nfs/dbraw/zinc/86/24/66/429862466.db2.gz XDUDBSFZHQIHOO-WBVHZDCISA-N 1 0 324.421 2.982 20 5 DFBDRO CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000493696375 429811647 /nfs/dbraw/zinc/81/16/47/429811647.db2.gz QZAJLVVPVZNWPX-FJVVXJACSA-N 1 0 317.389 2.599 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451740989 429882286 /nfs/dbraw/zinc/88/22/86/429882286.db2.gz NEUYCQCWYJHAQY-NSHDSACASA-N 1 0 313.348 2.789 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000368904153 429901029 /nfs/dbraw/zinc/90/10/29/429901029.db2.gz IPNGXTYIQVKVLR-HZPDHXFCSA-N 1 0 306.362 2.521 20 5 DFBDRO Cc1cc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000369020552 429908113 /nfs/dbraw/zinc/90/81/13/429908113.db2.gz YUZINFVYAOXEIA-LBPRGKRZSA-N 1 0 306.391 2.651 20 5 DFBDRO C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573604144 429965258 /nfs/dbraw/zinc/96/52/58/429965258.db2.gz NMQHAZIHORFVRO-NSHDSACASA-N 1 0 323.418 2.655 20 5 DFBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000237099567 276746535 /nfs/dbraw/zinc/74/65/35/276746535.db2.gz RYJRRBLQQIHDNC-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO C[NH+](C)CCCC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1 ZINC000286572093 276759022 /nfs/dbraw/zinc/75/90/22/276759022.db2.gz RPSZOJUZRQOFEJ-UHFFFAOYSA-N 1 0 306.410 2.735 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000562761528 430177510 /nfs/dbraw/zinc/17/75/10/430177510.db2.gz SUVUJKWPQNPQIE-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000562338348 430122620 /nfs/dbraw/zinc/12/26/20/430122620.db2.gz UIBJTCGEHSCSJY-CYBMUJFWSA-N 1 0 315.373 2.761 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000270190882 277034730 /nfs/dbraw/zinc/03/47/30/277034730.db2.gz OQVQFQCGDXAORX-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC000272647998 277177287 /nfs/dbraw/zinc/17/72/87/277177287.db2.gz PJXWNLVAGCGFAL-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000261701313 277266257 /nfs/dbraw/zinc/26/62/57/277266257.db2.gz KCUKIXRRTCQPSJ-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO C[C@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@@H+]1C1CC1 ZINC000581485440 430213378 /nfs/dbraw/zinc/21/33/78/430213378.db2.gz VEHIYDMKQTWPPC-WCQYABFASA-N 1 0 316.405 2.906 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000566233771 430250648 /nfs/dbraw/zinc/25/06/48/430250648.db2.gz CGGYPEDMUSVVJW-UWVGGRQHSA-N 1 0 306.391 3.256 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000581917162 430250696 /nfs/dbraw/zinc/25/06/96/430250696.db2.gz LLPOMUSWZDBNGE-GFCCVEGCSA-N 1 0 323.393 2.914 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000582289040 430285857 /nfs/dbraw/zinc/28/58/57/430285857.db2.gz STRXPTAVVDAPEN-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000567799430 430289497 /nfs/dbraw/zinc/28/94/97/430289497.db2.gz OYCOVEUKYQOLHT-CQSZACIVSA-N 1 0 313.357 2.988 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000582787010 430333858 /nfs/dbraw/zinc/33/38/58/430333858.db2.gz YBUZNIJSDJTPRJ-GOSISDBHSA-N 1 0 311.385 2.695 20 5 DFBDRO Cc1nc2n(n1)CCC[C@H]2N[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796396 430335781 /nfs/dbraw/zinc/33/57/81/430335781.db2.gz OLNAOFSCGDERKB-UONOGXRCSA-N 1 0 313.361 2.607 20 5 DFBDRO CC(C)(C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000583258105 430379068 /nfs/dbraw/zinc/37/90/68/430379068.db2.gz GUJTZPRVNFAUEY-CQSZACIVSA-N 1 0 322.405 2.750 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000583316877 430384471 /nfs/dbraw/zinc/38/44/71/430384471.db2.gz WUFOAVVMSBYRNA-AWEZNQCLSA-N 1 0 317.389 2.782 20 5 DFBDRO Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000547449735 430394813 /nfs/dbraw/zinc/39/48/13/430394813.db2.gz UPJFLVJRVMJQCT-ZDUSSCGKSA-N 1 0 320.393 2.755 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000583907752 430438349 /nfs/dbraw/zinc/43/83/49/430438349.db2.gz KMBOUSVMPQXVMK-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000547798509 430423282 /nfs/dbraw/zinc/42/32/82/430423282.db2.gz TUFDWAAZEVHACX-CYBMUJFWSA-N 1 0 305.378 2.541 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000548520012 430483208 /nfs/dbraw/zinc/48/32/08/430483208.db2.gz CTDDKTZOHQLVIC-NSHDSACASA-N 1 0 311.407 2.603 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043456 430508033 /nfs/dbraw/zinc/50/80/33/430508033.db2.gz XTJDYUBRDJUDEM-GJZGRUSLSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000599126421 430527326 /nfs/dbraw/zinc/52/73/26/430527326.db2.gz GXSVKLBPHDXRTK-CQSZACIVSA-N 1 0 304.394 3.117 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000570993910 430595766 /nfs/dbraw/zinc/59/57/66/430595766.db2.gz COVVSPOLRRHEJX-INIZCTEOSA-N 1 0 318.377 2.862 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000572105443 430671373 /nfs/dbraw/zinc/67/13/73/430671373.db2.gz FRKWAGFUUVTKEL-LBPRGKRZSA-N 1 0 300.362 2.721 20 5 DFBDRO COc1cccc(N2CC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000274642226 278016826 /nfs/dbraw/zinc/01/68/26/278016826.db2.gz DKAVLIRWYLJGIP-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO CC[C@H]([NH2+]C1CCC(C(=O)NC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000269041201 288033735 /nfs/dbraw/zinc/03/37/35/288033735.db2.gz UBYJQJGZJITNEX-PXCJXSSVSA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@@H](NCC[N@H+](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284231770 278346622 /nfs/dbraw/zinc/34/66/22/278346622.db2.gz UQXYINCDHVPTNN-GFCCVEGCSA-N 1 0 306.410 2.702 20 5 DFBDRO C[C@@H]([NH2+][C@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000130377940 278379930 /nfs/dbraw/zinc/37/99/30/278379930.db2.gz XDGTZRFPIYEYPF-CJNGLKHVSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193497943 279035621 /nfs/dbraw/zinc/03/56/21/279035621.db2.gz GEPQLCXIRKAKAB-JOYOIKCWSA-N 1 0 319.386 2.680 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262737953 279404360 /nfs/dbraw/zinc/40/43/60/279404360.db2.gz GTQCRLFOGKBBAM-GWCFXTLKSA-N 1 0 317.345 2.683 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000132440271 279421565 /nfs/dbraw/zinc/42/15/65/279421565.db2.gz WWWDKWPRQDPXFZ-IUCAKERBSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000357418579 280006213 /nfs/dbraw/zinc/00/62/13/280006213.db2.gz QCNOMWRPKHXHDO-CMPLNLGQSA-N 1 0 317.345 2.554 20 5 DFBDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832833 280022542 /nfs/dbraw/zinc/02/25/42/280022542.db2.gz NRMLLRLIQMIIGE-RYUDHWBXSA-N 1 0 318.352 2.938 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134197519 280192311 /nfs/dbraw/zinc/19/23/11/280192311.db2.gz LJLQETOXVHZNFJ-JJRVBVJISA-N 1 0 321.421 2.745 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000377175209 280375872 /nfs/dbraw/zinc/37/58/72/280375872.db2.gz HAGGWKZFAXERCS-RBSFLKMASA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000262088663 281258653 /nfs/dbraw/zinc/25/86/53/281258653.db2.gz HSFJERBQFOIEEJ-CYBMUJFWSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000194481936 281258707 /nfs/dbraw/zinc/25/87/07/281258707.db2.gz MZVPPXHVWCWVFP-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415702146 289121474 /nfs/dbraw/zinc/12/14/74/289121474.db2.gz PAWROLMEUNIVFO-LBPRGKRZSA-N 1 0 320.393 2.766 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415762315 289131878 /nfs/dbraw/zinc/13/18/78/289131878.db2.gz MSYPCOTXFDUFHS-UHFFFAOYSA-N 1 0 320.393 2.668 20 5 DFBDRO C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000273845253 289909613 /nfs/dbraw/zinc/90/96/13/289909613.db2.gz MPAHQHHQUAJFJT-LRDDRELGSA-N 1 0 317.389 2.646 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([S@](C)=O)CCC1 ZINC000435752616 296972016 /nfs/dbraw/zinc/97/20/16/296972016.db2.gz YRCGHCJPRVXICS-XAYKGCCJSA-N 1 0 322.430 2.889 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)o1 ZINC000367519710 295450690 /nfs/dbraw/zinc/45/06/90/295450690.db2.gz QCJAHDGQQUWGPT-QKDCVEJESA-N 1 0 314.341 2.837 20 5 DFBDRO Cc1cc(N2C[C@@H](C)C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000398802561 295492805 /nfs/dbraw/zinc/49/28/05/295492805.db2.gz OHZBRIVLGGOORH-AAEUAGOBSA-N 1 0 315.373 2.906 20 5 DFBDRO CO[C@](C)([C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411953669 295570748 /nfs/dbraw/zinc/57/07/48/295570748.db2.gz SAICKLWEOCMUHC-BLLLJJGKSA-N 1 0 308.378 2.767 20 5 DFBDRO CO[C@@](C)([C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411953670 295570794 /nfs/dbraw/zinc/57/07/94/295570794.db2.gz SAICKLWEOCMUHC-LRDDRELGSA-N 1 0 308.378 2.767 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000438485186 297094675 /nfs/dbraw/zinc/09/46/75/297094675.db2.gz UITZPJYREDBRSQ-LBPRGKRZSA-N 1 0 321.377 2.520 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000439403732 297124621 /nfs/dbraw/zinc/12/46/21/297124621.db2.gz PSJNKBGFPCBAHV-UHFFFAOYSA-N 1 0 324.356 2.684 20 5 DFBDRO Cc1noc(CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000441253782 297177384 /nfs/dbraw/zinc/17/73/84/297177384.db2.gz DNRJVHCCPGLZFX-UHFFFAOYSA-N 1 0 316.361 2.883 20 5 DFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000441265630 297177755 /nfs/dbraw/zinc/17/77/55/297177755.db2.gz ZOLXMGVHOXTGQI-TZMCWYRMSA-N 1 0 304.350 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441293820 297179393 /nfs/dbraw/zinc/17/93/93/297179393.db2.gz MVLNKMINPAIQFZ-JKSUJKDBSA-N 1 0 304.390 2.886 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000444679973 297244604 /nfs/dbraw/zinc/24/46/04/297244604.db2.gz OCRQHZFPPFUEMB-RISCZKNCSA-N 1 0 304.350 2.518 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750198 297248814 /nfs/dbraw/zinc/24/88/14/297248814.db2.gz YZSFRYGZVGJPBN-ZBFHGGJFSA-N 1 0 322.405 2.703 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000444777906 297250941 /nfs/dbraw/zinc/25/09/41/297250941.db2.gz UCNGLPPHWGGPBF-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446838193 297287939 /nfs/dbraw/zinc/28/79/39/297287939.db2.gz FYXSHYBMYCBGNO-IAQYHMDHSA-N 1 0 318.377 2.764 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1CC ZINC000447049594 297293142 /nfs/dbraw/zinc/29/31/42/297293142.db2.gz VTMCUOOFBNPOBN-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCOCC2CC2)n1 ZINC000447510730 297306080 /nfs/dbraw/zinc/30/60/80/297306080.db2.gz ZVKCZUCNFYSSLZ-GJZGRUSLSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccco2)n1 ZINC000447520685 297306390 /nfs/dbraw/zinc/30/63/90/297306390.db2.gz KYJPBLCRWWCGAS-UONOGXRCSA-N 1 0 304.350 2.700 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447529112 297307021 /nfs/dbraw/zinc/30/70/21/297307021.db2.gz LEAPHMQYAKDPJS-MGPQQGTHSA-N 1 0 310.398 2.536 20 5 DFBDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538652 297307344 /nfs/dbraw/zinc/30/73/44/297307344.db2.gz CGSAZCWFHYUBPX-RBSFLKMASA-N 1 0 324.425 2.663 20 5 DFBDRO CCN(CC)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536556 297307386 /nfs/dbraw/zinc/30/73/86/297307386.db2.gz OJPWGTPTZNYANC-KKUMJFAQSA-N 1 0 323.441 2.595 20 5 DFBDRO CCCN(CC)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562593 297308614 /nfs/dbraw/zinc/30/86/14/297308614.db2.gz MKTBOGDSFMTWFI-CABCVRRESA-N 1 0 323.441 2.597 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccncc2)n1 ZINC000447575449 297309063 /nfs/dbraw/zinc/30/90/63/297309063.db2.gz SPXWMAACQBTYDZ-HUUCEWRRSA-N 1 0 315.377 2.502 20 5 DFBDRO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587880 297309497 /nfs/dbraw/zinc/30/94/97/297309497.db2.gz SGELYYKCSUCFDH-KGLIPLIRSA-N 1 0 324.425 2.663 20 5 DFBDRO CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587879 297309598 /nfs/dbraw/zinc/30/95/98/297309598.db2.gz SGELYYKCSUCFDH-KBPBESRZSA-N 1 0 324.425 2.663 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CN1CCCCC1 ZINC000449071361 297400608 /nfs/dbraw/zinc/40/06/08/297400608.db2.gz BFNOVTKDCCVVFB-HUUCEWRRSA-N 1 0 305.422 2.990 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449079665 297402099 /nfs/dbraw/zinc/40/20/99/297402099.db2.gz ZTGNCZKGOVHOTQ-RYUDHWBXSA-N 1 0 302.378 2.919 20 5 DFBDRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449181664 297418900 /nfs/dbraw/zinc/41/89/00/297418900.db2.gz IEXBITGBENUKMR-FZMZJTMJSA-N 1 0 315.377 2.550 20 5 DFBDRO CC(C)[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])c1nncn1C ZINC000449314956 297444461 /nfs/dbraw/zinc/44/44/61/297444461.db2.gz GAOXZHDNBGDYBK-IUODEOHRSA-N 1 0 317.393 2.641 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449327598 297446764 /nfs/dbraw/zinc/44/67/64/297446764.db2.gz FMWLUFKKVWWEGI-SNVBAGLBSA-N 1 0 306.391 2.518 20 5 DFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000449482110 297477000 /nfs/dbraw/zinc/47/70/00/297477000.db2.gz AMAAGXCTSYPZNV-XQQFMLRXSA-N 1 0 305.378 2.948 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000449513808 297483956 /nfs/dbraw/zinc/48/39/56/297483956.db2.gz ULCRVKPRZXCXMT-RHSMWYFYSA-N 1 0 324.421 2.982 20 5 DFBDRO COCC(COC)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000449539658 297488788 /nfs/dbraw/zinc/48/87/88/297488788.db2.gz IOMWQIFTLGKDOT-UHFFFAOYSA-N 1 0 320.345 2.606 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449581955 297494529 /nfs/dbraw/zinc/49/45/29/297494529.db2.gz CTHNZDFHWXDEMH-CFVMTHIKSA-N 1 0 320.389 2.847 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000450865993 297703628 /nfs/dbraw/zinc/70/36/28/297703628.db2.gz XGNBXAPODOOVHD-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000450867737 297703703 /nfs/dbraw/zinc/70/37/03/297703703.db2.gz ZUTPMZDKGNHYLQ-GFCCVEGCSA-N 1 0 305.378 2.718 20 5 DFBDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000453600332 298103596 /nfs/dbraw/zinc/10/35/96/298103596.db2.gz DQNNEUVTSUETOP-UHFFFAOYSA-N 1 0 307.394 2.723 20 5 DFBDRO C[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000454267510 298146398 /nfs/dbraw/zinc/14/63/98/298146398.db2.gz YQRYVGCMOJXPJB-LBPRGKRZSA-N 1 0 318.377 2.543 20 5 DFBDRO C[N@H+](CCCCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000454367580 298163096 /nfs/dbraw/zinc/16/30/96/298163096.db2.gz WMCFGJQHWPEPIS-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1c(CC(=O)NC(C)(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000456173665 298465355 /nfs/dbraw/zinc/46/53/55/298465355.db2.gz RAFAEGHXLWEPCI-UHFFFAOYSA-N 1 0 321.421 2.682 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000515500017 300311038 /nfs/dbraw/zinc/31/10/38/300311038.db2.gz SGGKKHPSEYOWGB-LBPRGKRZSA-N 1 0 305.378 2.524 20 5 DFBDRO C[C@]1(O)CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000515514828 300311903 /nfs/dbraw/zinc/31/19/03/300311903.db2.gz XRYZMAFGIRGZKW-INIZCTEOSA-N 1 0 301.346 2.884 20 5 DFBDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000517586161 300400625 /nfs/dbraw/zinc/40/06/25/300400625.db2.gz LPVMPFAETXTPNN-KGLIPLIRSA-N 1 0 317.389 2.571 20 5 DFBDRO C[C@@H]1C[NH+](CCSCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000518563933 300426352 /nfs/dbraw/zinc/42/63/52/300426352.db2.gz ADVRPXWVEQQDCA-CHWSQXEVSA-N 1 0 310.419 2.937 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000519555784 300458713 /nfs/dbraw/zinc/45/87/13/300458713.db2.gz RRWWTCNQEYRKKN-QMTHXVAHSA-N 1 0 321.377 2.709 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530418940 301047130 /nfs/dbraw/zinc/04/71/30/301047130.db2.gz ORXFULSQXMCKBR-ZFWWWQNUSA-N 1 0 319.405 2.812 20 5 DFBDRO CCC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531959254 301120955 /nfs/dbraw/zinc/12/09/55/301120955.db2.gz VYVNNALULFNMRC-YOEHRIQHSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1cc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000532168090 301134512 /nfs/dbraw/zinc/13/45/12/301134512.db2.gz ZYAHDRSZWOSEPS-NVXWUHKLSA-N 1 0 319.405 2.959 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCOCC1 ZINC000534338248 301229263 /nfs/dbraw/zinc/22/92/63/301229263.db2.gz VZCNVTTUCAIUMS-UHFFFAOYSA-N 1 0 316.304 2.807 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000536852101 301291848 /nfs/dbraw/zinc/29/18/48/301291848.db2.gz LAFKWAKQHBDKEH-JJRVBVJISA-N 1 0 320.389 2.892 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000538391379 301320868 /nfs/dbraw/zinc/32/08/68/301320868.db2.gz ZDIDYYDXRFCKQR-CQSZACIVSA-N 1 0 323.393 2.956 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000539493785 301343350 /nfs/dbraw/zinc/34/33/50/301343350.db2.gz XOQFMHZSFNXMIQ-UKRRQHHQSA-N 1 0 310.394 2.749 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000540157169 301358753 /nfs/dbraw/zinc/35/87/53/301358753.db2.gz XGPWLZKOCQRCEM-BXKDBHETSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000548519769 301597506 /nfs/dbraw/zinc/59/75/06/301597506.db2.gz YRIWTXBXDNGFMH-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]1F ZINC000559917961 301878991 /nfs/dbraw/zinc/87/89/91/301878991.db2.gz YTWXVLXLUVDBTA-HONMWMINSA-N 1 0 309.341 2.792 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000562975527 302020606 /nfs/dbraw/zinc/02/06/06/302020606.db2.gz MZLQKMDLHXWTOK-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3cc(F)ccc3C2)c1 ZINC000563443285 302073755 /nfs/dbraw/zinc/07/37/55/302073755.db2.gz RWCZNRYVXFKGJW-CQSZACIVSA-N 1 0 302.305 2.827 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582647 302142780 /nfs/dbraw/zinc/14/27/80/302142780.db2.gz FJPWNCJLMAVNPZ-CZUORRHYSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CSC1(C)C ZINC000565410390 302223450 /nfs/dbraw/zinc/22/34/50/302223450.db2.gz ORCQWUQCSIPVPG-ZWNOBZJWSA-N 1 0 323.418 2.796 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CSC1(C)C ZINC000565410386 302223549 /nfs/dbraw/zinc/22/35/49/302223549.db2.gz ORCQWUQCSIPVPG-GXFFZTMASA-N 1 0 323.418 2.796 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000565664015 302236556 /nfs/dbraw/zinc/23/65/56/302236556.db2.gz CXEDOGFKUABJLL-CQSZACIVSA-N 1 0 319.405 2.672 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000566122100 302261609 /nfs/dbraw/zinc/26/16/09/302261609.db2.gz XRHVVVKLDGAZNQ-WMLDXEAASA-N 1 0 320.389 2.503 20 5 DFBDRO COCC1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566222350 302268601 /nfs/dbraw/zinc/26/86/01/302268601.db2.gz VJFUPRGVTVGJET-KGLIPLIRSA-N 1 0 322.409 2.681 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000566286407 302274505 /nfs/dbraw/zinc/27/45/05/302274505.db2.gz MXELDKKDJJHBSA-UTUOFQBUSA-N 1 0 320.393 2.836 20 5 DFBDRO CC1(C)CC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000566429692 302286017 /nfs/dbraw/zinc/28/60/17/302286017.db2.gz YTBCHQFONDRTGE-LBPRGKRZSA-N 1 0 302.334 2.923 20 5 DFBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]2CCO[C@@H]21 ZINC000566474736 302290399 /nfs/dbraw/zinc/29/03/99/302290399.db2.gz INBGBDMHTGNRCD-XOUADPBQSA-N 1 0 302.374 2.985 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000567367161 302354803 /nfs/dbraw/zinc/35/48/03/302354803.db2.gz WRXVIJWHIVIUAN-OLZOCXBDSA-N 1 0 322.409 2.696 20 5 DFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567420777 302357591 /nfs/dbraw/zinc/35/75/91/302357591.db2.gz ZGZAZCWZFXGOQI-QGZVFWFLSA-N 1 0 316.357 2.605 20 5 DFBDRO CCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000568990735 302489598 /nfs/dbraw/zinc/48/95/98/302489598.db2.gz HPIYNKSPORDZND-HNNXBMFYSA-N 1 0 322.405 2.895 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000569244005 302507491 /nfs/dbraw/zinc/50/74/91/302507491.db2.gz HDTXREABLFEABA-BLLLJJGKSA-N 1 0 303.362 2.622 20 5 DFBDRO CCOC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000179241971 316004350 /nfs/dbraw/zinc/00/43/50/316004350.db2.gz YDJMGVRQSAKXIQ-UHFFFAOYSA-N 1 0 306.362 2.903 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000180397704 316032891 /nfs/dbraw/zinc/03/28/91/316032891.db2.gz VJQMCLCKVMJEQE-LLVKDONJSA-N 1 0 317.389 2.550 20 5 DFBDRO CCOC(=O)[C@@H](CC(C)C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000180974171 316048303 /nfs/dbraw/zinc/04/83/03/316048303.db2.gz REXGOKWNTLVKBY-OAHLLOKOSA-N 1 0 308.378 2.705 20 5 DFBDRO CCC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000185880452 316194374 /nfs/dbraw/zinc/19/43/74/316194374.db2.gz YCJAXMPGJVVEKF-GJZGRUSLSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187906608 316215051 /nfs/dbraw/zinc/21/50/51/316215051.db2.gz QUNLIUGXNTWOFG-ZDUSSCGKSA-N 1 0 317.389 2.606 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316485150 316245303 /nfs/dbraw/zinc/24/53/03/316245303.db2.gz XEIREMWNBMPNLY-IAGOWNOFSA-N 1 0 303.406 2.744 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(N)c([N+](=O)[O-])c2)no1 ZINC000350608776 316413548 /nfs/dbraw/zinc/41/35/48/316413548.db2.gz SSGLNWXJCXSTMM-NXEZZACHSA-N 1 0 317.349 2.600 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)c1 ZINC000414518637 316615928 /nfs/dbraw/zinc/61/59/28/316615928.db2.gz BKFURBWHDYRTOM-AWEZNQCLSA-N 1 0 304.321 2.600 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414534602 316620699 /nfs/dbraw/zinc/62/06/99/316620699.db2.gz VEBAUGIKOLMHPW-CQSZACIVSA-N 1 0 304.321 2.600 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000414717872 316639177 /nfs/dbraw/zinc/63/91/77/316639177.db2.gz YLBQFCBHBNZPPS-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417138230 316671783 /nfs/dbraw/zinc/67/17/83/316671783.db2.gz NPMMIHUMTLRRLS-HUBLWGQQSA-N 1 0 320.393 2.567 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421401049 316735331 /nfs/dbraw/zinc/73/53/31/316735331.db2.gz KZHLOTBWAXCFQF-CYBMUJFWSA-N 1 0 308.378 2.577 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000421745400 316756284 /nfs/dbraw/zinc/75/62/84/316756284.db2.gz VMCZRMHOMZGFFL-UHFFFAOYSA-N 1 0 319.405 2.817 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421867942 316777566 /nfs/dbraw/zinc/77/75/66/316777566.db2.gz COPUAYUIWNOWIQ-XJKSGUPXSA-N 1 0 319.405 2.894 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000446486491 317013324 /nfs/dbraw/zinc/01/33/24/317013324.db2.gz WGMKHSGENXJUHI-SMDDNHRTSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449558864 317044263 /nfs/dbraw/zinc/04/42/63/317044263.db2.gz XDDIFUDHRMMAIK-BZUAXINKSA-N 1 0 304.390 2.886 20 5 DFBDRO C[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)N(C)C ZINC000449558658 317044450 /nfs/dbraw/zinc/04/44/50/317044450.db2.gz YUUWZKIUSMLFDF-LBPRGKRZSA-N 1 0 303.362 2.895 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC([NH2+]C2CC2)CC1 ZINC000450393655 317088316 /nfs/dbraw/zinc/08/83/16/317088316.db2.gz OXUGRVZIPAXXGE-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO COC[C@@](C)(O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453248501 317172108 /nfs/dbraw/zinc/17/21/08/317172108.db2.gz FNJMPJSDNXIZJN-RDJZCZTQSA-N 1 0 322.405 2.694 20 5 DFBDRO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000453616321 317193895 /nfs/dbraw/zinc/19/38/95/317193895.db2.gz GKQVKFGIGPKVLO-UHFFFAOYSA-N 1 0 302.378 2.987 20 5 DFBDRO CC(C)[C@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487995565 317359080 /nfs/dbraw/zinc/35/90/80/317359080.db2.gz AJRFKMYLKJQHJU-QGZVFWFLSA-N 1 0 321.421 2.636 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491534903 317581411 /nfs/dbraw/zinc/58/14/11/317581411.db2.gz ZWBBNJUJERGBDU-HJWRWDBZSA-N 1 0 319.405 2.654 20 5 DFBDRO Cc1cc(NC[C@H]2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000572746791 318002313 /nfs/dbraw/zinc/00/23/13/318002313.db2.gz MLOOWZTTZWUHQS-DGCLKSJQSA-N 1 0 315.373 2.958 20 5 DFBDRO COCC[C@@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000573234226 318014240 /nfs/dbraw/zinc/01/42/40/318014240.db2.gz QPLCZQMJIZJQOF-CQSZACIVSA-N 1 0 314.769 2.533 20 5 DFBDRO CCn1ccnc1[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000575958617 318094323 /nfs/dbraw/zinc/09/43/23/318094323.db2.gz APDGYVCVWQRHSJ-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204912 318110510 /nfs/dbraw/zinc/11/05/10/318110510.db2.gz KXDAUZPZGGZXGU-CHWSQXEVSA-N 1 0 307.394 2.545 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3(O)CCC3)CC2)cc1 ZINC000576720350 318145909 /nfs/dbraw/zinc/14/59/09/318145909.db2.gz NTHZDBUGLZISGR-UHFFFAOYSA-N 1 0 320.389 2.743 20 5 DFBDRO CCN(CCC[NH+](C)C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000576820225 318152520 /nfs/dbraw/zinc/15/25/20/318152520.db2.gz RRMJHRHPZBWYAU-UHFFFAOYSA-N 1 0 306.410 2.647 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000577815529 318218358 /nfs/dbraw/zinc/21/83/58/318218358.db2.gz XOCIJNJLGQCDEK-UKRRQHHQSA-N 1 0 319.405 2.687 20 5 DFBDRO CCCC[C@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000578266047 318248754 /nfs/dbraw/zinc/24/87/54/318248754.db2.gz SGAZSLUWWDFEHR-ZDUSSCGKSA-N 1 0 319.405 2.994 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000578626773 318273797 /nfs/dbraw/zinc/27/37/97/318273797.db2.gz RNWGZMYTZRTZAT-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCCC2 ZINC000579468063 318332402 /nfs/dbraw/zinc/33/24/02/318332402.db2.gz SGOKKBOJENPFNF-CABCVRRESA-N 1 0 316.405 2.907 20 5 DFBDRO COCCOCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000579893034 318360547 /nfs/dbraw/zinc/36/05/47/318360547.db2.gz PBGPIMJJXBDALG-KAMYIIQDSA-N 1 0 308.378 2.593 20 5 DFBDRO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])cc1Br)C(F)F ZINC000383386358 323304189 /nfs/dbraw/zinc/30/41/89/323304189.db2.gz NOCXYRFECRWFCT-SECBINFHSA-N 1 0 324.125 2.752 20 5 DFBDRO Cc1cc(N[C@@H](C)CC(C)(C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000384828966 323308433 /nfs/dbraw/zinc/30/84/33/323308433.db2.gz GNQUPLISBOBJAJ-NSHDSACASA-N 1 0 303.362 2.835 20 5 DFBDRO CC[N@@H+]1CC[C@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000385467280 323310590 /nfs/dbraw/zinc/31/05/90/323310590.db2.gz BJMDVTVWOGYSRC-JTQLQIEISA-N 1 0 314.183 2.863 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000387563408 323326052 /nfs/dbraw/zinc/32/60/52/323326052.db2.gz YOZBZKVUSZUTQO-CYBMUJFWSA-N 1 0 307.394 2.544 20 5 DFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])cn2)ccc1C[NH+](C)C ZINC000580523737 323396178 /nfs/dbraw/zinc/39/61/78/323396178.db2.gz GHUHNDMKUASGJI-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000580573914 323406782 /nfs/dbraw/zinc/40/67/82/323406782.db2.gz SAVBEWOVRHREDB-OLZOCXBDSA-N 1 0 317.389 2.565 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000580779089 323434373 /nfs/dbraw/zinc/43/43/73/323434373.db2.gz XHJOHWZJEOCTSU-OLZOCXBDSA-N 1 0 317.389 2.565 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581246859 323496752 /nfs/dbraw/zinc/49/67/52/323496752.db2.gz RJEDEHZHOZJCRB-QLFBSQMISA-N 1 0 322.405 2.893 20 5 DFBDRO CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000581999148 323599176 /nfs/dbraw/zinc/59/91/76/323599176.db2.gz XCRWILDWVKRRBG-UKRRQHHQSA-N 1 0 322.405 2.893 20 5 DFBDRO O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000582132847 323622265 /nfs/dbraw/zinc/62/22/65/323622265.db2.gz AJUAEJAQJOLXAP-HUUCEWRRSA-N 1 0 317.389 2.618 20 5 DFBDRO O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000582132848 323622618 /nfs/dbraw/zinc/62/26/18/323622618.db2.gz AJUAEJAQJOLXAP-LSDHHAIUSA-N 1 0 317.389 2.618 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Cn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000582179730 323628467 /nfs/dbraw/zinc/62/84/67/323628467.db2.gz UKDMXAUQZUICNH-JOCQHMNTSA-N 1 0 315.373 2.675 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584350824 336060834 /nfs/dbraw/zinc/06/08/34/336060834.db2.gz DPSJUZOELASQJN-QGZVFWFLSA-N 1 0 319.405 2.569 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296685037 533825439 /nfs/dbraw/zinc/82/54/39/533825439.db2.gz IVFFBNQLESUJIK-WWGRRREGSA-N 1 0 319.405 2.940 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[N@H+]2CC=C(C)CC2)c1 ZINC000302147148 533995258 /nfs/dbraw/zinc/99/52/58/533995258.db2.gz JVHWIZMTACWNRH-UHFFFAOYSA-N 1 0 309.341 2.806 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)c1 ZINC000302061943 534245592 /nfs/dbraw/zinc/24/55/92/534245592.db2.gz BVWRNLXXDISRNM-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000330996049 534339149 /nfs/dbraw/zinc/33/91/49/534339149.db2.gz MBSMVXBCWDQLRM-LLVKDONJSA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1cc(CN2CCC[N@H+](CC)CC2)ccc1[N+](=O)[O-] ZINC000365190250 520697989 /nfs/dbraw/zinc/69/79/89/520697989.db2.gz GMIJLBDWFVJSIR-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163913331 521996408 /nfs/dbraw/zinc/99/64/08/521996408.db2.gz FSKICOGHTAKQEF-YLQAJVPDSA-N 1 0 306.406 2.913 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000299039668 534607622 /nfs/dbraw/zinc/60/76/22/534607622.db2.gz XWYFHBZLUSNNNL-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1ccn(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000364994211 525588639 /nfs/dbraw/zinc/58/86/39/525588639.db2.gz CHXASIOGUDBQIO-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1 ZINC000294716576 534887324 /nfs/dbraw/zinc/88/73/24/534887324.db2.gz CFFCRQCKTBUYGA-DOTOQJQBSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC3CCOCC3)CC2)c1 ZINC000292790406 534886693 /nfs/dbraw/zinc/88/66/93/534886693.db2.gz ZSVOGLCTHOAFCC-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO O=C(C[N@@H+]1CCCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000364836079 526733207 /nfs/dbraw/zinc/73/32/07/526733207.db2.gz ACHXPAFSJQXIER-UHFFFAOYSA-N 1 0 303.362 2.942 20 5 DFBDRO CC(C)(CO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000294858167 527202958 /nfs/dbraw/zinc/20/29/58/527202958.db2.gz STAGTPPRXDLBDL-UHFFFAOYSA-N 1 0 318.320 2.694 20 5 DFBDRO CC(C)(CO)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296582380 527204596 /nfs/dbraw/zinc/20/45/96/527204596.db2.gz ULBPOXXTBDGJEE-OAHLLOKOSA-N 1 0 306.406 2.914 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293069732 527217407 /nfs/dbraw/zinc/21/74/07/527217407.db2.gz MXOYYYSQSFLSNP-CQSZACIVSA-N 1 0 317.389 2.720 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1 ZINC000156384219 527347117 /nfs/dbraw/zinc/34/71/17/527347117.db2.gz OMOIMLRWAPRLAP-QGZVFWFLSA-N 1 0 313.357 2.686 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCN2 ZINC000365046072 527380557 /nfs/dbraw/zinc/38/05/57/527380557.db2.gz ABRYZLSVMYJXFO-NEPJUHHUSA-N 1 0 302.378 2.602 20 5 DFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](Cc3cccs3)CC2)nc1 ZINC000364907060 527409782 /nfs/dbraw/zinc/40/97/82/527409782.db2.gz RMDSTDYBUREWNQ-UHFFFAOYSA-N 1 0 319.390 2.523 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000297352142 528062651 /nfs/dbraw/zinc/06/26/51/528062651.db2.gz JNBRZDNTZUTTEN-GFCCVEGCSA-N 1 0 305.378 2.529 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297533735 528109214 /nfs/dbraw/zinc/10/92/14/528109214.db2.gz TXXLYXRYMFNYGF-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293108435 528210164 /nfs/dbraw/zinc/21/01/64/528210164.db2.gz LNUWNVBRJCZPLZ-OAHLLOKOSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000316586771 528289909 /nfs/dbraw/zinc/28/99/09/528289909.db2.gz RXPZSERSRUQJEM-UHFFFAOYSA-N 1 0 307.394 2.819 20 5 DFBDRO CCOc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000320531289 528309591 /nfs/dbraw/zinc/30/95/91/528309591.db2.gz CCRDZQCXCHUWQL-HNNXBMFYSA-N 1 0 319.405 2.962 20 5 DFBDRO CCCNC(=O)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302149316 528373010 /nfs/dbraw/zinc/37/30/10/528373010.db2.gz HKKOCKXIUSQPAT-UHFFFAOYSA-N 1 0 316.361 2.780 20 5 DFBDRO CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713884 528410064 /nfs/dbraw/zinc/41/00/64/528410064.db2.gz ABKWFPBJDQQIFJ-ZIAGYGMSSA-N 1 0 319.405 2.955 20 5 DFBDRO CCC[NH2+][C@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294919166 528548776 /nfs/dbraw/zinc/54/87/76/528548776.db2.gz BJYFTXCEGIUBFA-CYBMUJFWSA-N 1 0 307.394 2.720 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302060039 529046697 /nfs/dbraw/zinc/04/66/97/529046697.db2.gz SLVWDKUULMUUKI-UHFFFAOYSA-N 1 0 315.320 2.728 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945505 529316311 /nfs/dbraw/zinc/31/63/11/529316311.db2.gz KALUUOOBFTZCSU-OLZOCXBDSA-N 1 0 305.378 2.678 20 5 DFBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000354511508 535110406 /nfs/dbraw/zinc/11/04/06/535110406.db2.gz RCLLAMLZRROUMS-CQSZACIVSA-N 1 0 307.398 2.697 20 5 DFBDRO CCNC(=O)[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000354068140 535408388 /nfs/dbraw/zinc/40/83/88/535408388.db2.gz LGILGKZMESCXPO-CZUORRHYSA-N 1 0 321.421 2.666 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000359490434 535450811 /nfs/dbraw/zinc/45/08/11/535450811.db2.gz AZGXKQMJYNUDRE-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000361467339 536419163 /nfs/dbraw/zinc/41/91/63/536419163.db2.gz HSCVQUANJKBAAG-LSDHHAIUSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000278455014 214165324 /nfs/dbraw/zinc/16/53/24/214165324.db2.gz SBODEIDHIWWIKK-QMMMGPOBSA-N 1 0 318.299 2.903 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1cccs1 ZINC000413030349 295669665 /nfs/dbraw/zinc/66/96/65/295669665.db2.gz UXHDYYRQGHJAFW-NSHDSACASA-N 1 0 310.354 2.905 20 5 DFBDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078999168 185144021 /nfs/dbraw/zinc/14/40/21/185144021.db2.gz GNNVPPKJZADKFJ-UHFFFAOYSA-N 1 0 319.405 2.722 20 5 DFBDRO CCCC[C@@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278689424 214328943 /nfs/dbraw/zinc/32/89/43/214328943.db2.gz MQNKWYJXIYLOGN-NSHDSACASA-N 1 0 306.366 2.766 20 5 DFBDRO [NH3+]CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000320253216 231191464 /nfs/dbraw/zinc/19/14/64/231191464.db2.gz WRBMOZFMBVLZEZ-LBPRGKRZSA-N 1 0 319.386 2.866 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000322122830 231208261 /nfs/dbraw/zinc/20/82/61/231208261.db2.gz RPNCBJXURBCTLN-CABCVRRESA-N 1 0 317.389 2.507 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596174912 398347522 /nfs/dbraw/zinc/34/75/22/398347522.db2.gz OGAHSZKPBPRGPT-GFCCVEGCSA-N 1 0 324.812 2.811 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635397 398364437 /nfs/dbraw/zinc/36/44/37/398364437.db2.gz GALVTQMSQKIACD-QGZVFWFLSA-N 1 0 317.433 2.801 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000081633805 398364652 /nfs/dbraw/zinc/36/46/52/398364652.db2.gz YINFQDSOLIKEEY-CYBMUJFWSA-N 1 0 309.435 2.820 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000066137625 398359484 /nfs/dbraw/zinc/35/94/84/398359484.db2.gz BRJGFULKAINTHQ-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596230843 398362966 /nfs/dbraw/zinc/36/29/66/398362966.db2.gz CLCOJPBUPNWDFS-MNOVXSKESA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596244412 398366205 /nfs/dbraw/zinc/36/62/05/398366205.db2.gz QJLYKEWLIKEEEE-BXUZGUMPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000596246460 398367093 /nfs/dbraw/zinc/36/70/93/398367093.db2.gz FUWAYQKFUUSULY-UHFFFAOYSA-N 1 0 303.284 2.611 20 5 DFBDRO Cc1cnc(N2CC[N@@H+](C)C3(CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000596251057 398367509 /nfs/dbraw/zinc/36/75/09/398367509.db2.gz KUOBJFIBTCQHKC-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)nc1 ZINC000596252193 398368488 /nfs/dbraw/zinc/36/84/88/398368488.db2.gz HGGDSBHOHLWRPL-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000081789633 398370252 /nfs/dbraw/zinc/37/02/52/398370252.db2.gz DZPNAPBVJJQEMM-UHFFFAOYSA-N 1 0 321.421 2.673 20 5 DFBDRO C[C@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H]1[NH+](C)C ZINC000413187270 295684337 /nfs/dbraw/zinc/68/43/37/295684337.db2.gz QZOTWCWLCFNMGO-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295037162 529621495 /nfs/dbraw/zinc/62/14/95/529621495.db2.gz SJSRRCHJKFBNHQ-DOMZBBRYSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295000177 529649358 /nfs/dbraw/zinc/64/93/58/529649358.db2.gz IJEQMUZYEQWKJF-VHRBIJSZSA-N 1 0 316.348 2.910 20 5 DFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000009917232 398375535 /nfs/dbraw/zinc/37/55/35/398375535.db2.gz GBDXUKUNZWJDTI-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090180708 185285535 /nfs/dbraw/zinc/28/55/35/185285535.db2.gz PWWKXBPKMAMPMB-XJKSGUPXSA-N 1 0 317.389 2.789 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000090177800 185284893 /nfs/dbraw/zinc/28/48/93/185284893.db2.gz BDVZSTLQWUKSJD-OLZOCXBDSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[C@H](C)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090526573 185300336 /nfs/dbraw/zinc/30/03/36/185300336.db2.gz KERRFTIDGWHJDI-QWHCGFSZSA-N 1 0 307.394 2.656 20 5 DFBDRO CCOc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000090539550 185301526 /nfs/dbraw/zinc/30/15/26/185301526.db2.gz ZHDPTAZUGMKQDJ-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000090552866 185302994 /nfs/dbraw/zinc/30/29/94/185302994.db2.gz WYYDQKIRUFNKHD-LLVKDONJSA-N 1 0 321.764 2.761 20 5 DFBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559007 185303533 /nfs/dbraw/zinc/30/35/33/185303533.db2.gz PAWHPEWXVURYSP-HIFRSBDPSA-N 1 0 307.394 2.657 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@@H+](C)C(C)C ZINC000443945428 297229139 /nfs/dbraw/zinc/22/91/39/297229139.db2.gz JXPVEEHEAAUKNN-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000296087089 529701087 /nfs/dbraw/zinc/70/10/87/529701087.db2.gz SXAYSBFOPUOARV-ZDUSSCGKSA-N 1 0 307.394 2.662 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3cccc(F)c3)CCC2)c1 ZINC000592144370 398391058 /nfs/dbraw/zinc/39/10/58/398391058.db2.gz HUCTZOKKFXAVAO-UHFFFAOYSA-N 1 0 304.325 2.599 20 5 DFBDRO CC1(C)CCC[C@H]1[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592153908 398393369 /nfs/dbraw/zinc/39/33/69/398393369.db2.gz MHIZFKRHRWBQFI-KBPBESRZSA-N 1 0 306.410 2.940 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC000592182787 398397799 /nfs/dbraw/zinc/39/77/99/398397799.db2.gz VESCQQJGWSWJPJ-IACUBPJLSA-N 1 0 306.362 2.760 20 5 DFBDRO Cc1cc(N(C)Cc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181429889 199295681 /nfs/dbraw/zinc/29/56/81/199295681.db2.gz HDSWUIDJMYPHON-UHFFFAOYSA-N 1 0 311.345 2.821 20 5 DFBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592199038 398401167 /nfs/dbraw/zinc/40/11/67/398401167.db2.gz BAKHFTQNMXYFDI-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO CC[N@H+](CCSC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592201448 398401428 /nfs/dbraw/zinc/40/14/28/398401428.db2.gz SXRWUXDIVZDDEX-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000181578271 199320923 /nfs/dbraw/zinc/32/09/23/199320923.db2.gz NQWCPDDPGONKJG-HNNXBMFYSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181605854 199326102 /nfs/dbraw/zinc/32/61/02/199326102.db2.gz GZVHQFIRANHBRG-STQMWFEESA-N 1 0 320.345 2.621 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000592330464 398412580 /nfs/dbraw/zinc/41/25/80/398412580.db2.gz AYLYOGRIGOERKN-ZWNOBZJWSA-N 1 0 317.345 2.540 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596448376 398415047 /nfs/dbraw/zinc/41/50/47/398415047.db2.gz XTCYWKGMFIXCPS-JTQLQIEISA-N 1 0 324.356 2.728 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000584817078 398415541 /nfs/dbraw/zinc/41/55/41/398415541.db2.gz FTHPJHDOMAABSX-FRRDWIJNSA-N 1 0 306.362 2.896 20 5 DFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000592395468 398421107 /nfs/dbraw/zinc/42/11/07/398421107.db2.gz BRTBAWBBJZXAKK-YJNKXOJESA-N 1 0 324.425 2.662 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000067164619 398421610 /nfs/dbraw/zinc/42/16/10/398421610.db2.gz VJGHLKPNZTWGKA-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000067210200 398423106 /nfs/dbraw/zinc/42/31/06/398423106.db2.gz LGXFPEFCRQUBGI-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478621 398431671 /nfs/dbraw/zinc/43/16/71/398431671.db2.gz GGHHLGXQVGDLMY-IUODEOHRSA-N 1 0 307.369 2.698 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478620 398431895 /nfs/dbraw/zinc/43/18/95/398431895.db2.gz GGHHLGXQVGDLMY-DOMZBBRYSA-N 1 0 307.369 2.698 20 5 DFBDRO Cc1cc(NC[C@@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596492095 398429343 /nfs/dbraw/zinc/42/93/43/398429343.db2.gz LNLJBRGIYVRFHQ-ZDUSSCGKSA-N 1 0 315.373 2.694 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1cccc(F)c1 ZINC000024107863 398429484 /nfs/dbraw/zinc/42/94/84/398429484.db2.gz RVIPXSQWYKHDAW-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000585754355 398445442 /nfs/dbraw/zinc/44/54/42/398445442.db2.gz JPAYIQRFZNBONK-HNNXBMFYSA-N 1 0 322.405 2.991 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]1SC ZINC000459433052 299105532 /nfs/dbraw/zinc/10/55/32/299105532.db2.gz ZYPPZFJJQPFJOT-YUELXQCFSA-N 1 0 310.419 2.636 20 5 DFBDRO NC(=O)C[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000585789447 398446739 /nfs/dbraw/zinc/44/67/39/398446739.db2.gz KXCMXRCXJLBDPT-GBXSZLQWSA-N 1 0 317.389 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796348 398447650 /nfs/dbraw/zinc/44/76/50/398447650.db2.gz RJEYUUBKJYWONN-UONOGXRCSA-N 1 0 319.405 2.942 20 5 DFBDRO CN1CCC([NH+]2CCC(Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000299478190 530050001 /nfs/dbraw/zinc/05/00/01/530050001.db2.gz ZHGJAACBHANPHD-UHFFFAOYSA-N 1 0 318.421 2.565 20 5 DFBDRO CCCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000026450445 398453883 /nfs/dbraw/zinc/45/38/83/398453883.db2.gz ZTMCGSOTCFUHHS-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000026711218 398455458 /nfs/dbraw/zinc/45/54/58/398455458.db2.gz PMKTYXRLJRIXGL-BBRMVZONSA-N 1 0 316.357 2.685 20 5 DFBDRO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000026594860 398455465 /nfs/dbraw/zinc/45/54/65/398455465.db2.gz BMRVLPAGLDCDBO-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000089580548 398457725 /nfs/dbraw/zinc/45/77/25/398457725.db2.gz GWBXOJJOBRFOHR-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C(C)C)C1CC1 ZINC000026942619 398458726 /nfs/dbraw/zinc/45/87/26/398458726.db2.gz RHENKTDVMNVLMY-UHFFFAOYSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000027771326 398467297 /nfs/dbraw/zinc/46/72/97/398467297.db2.gz GLOYXNXVWDFVFU-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCOCC1 ZINC000089907609 398469897 /nfs/dbraw/zinc/46/98/97/398469897.db2.gz AVMZYTMEOHQZDA-UHFFFAOYSA-N 1 0 317.345 2.861 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1([NH+](C)C)CCC1 ZINC000286754115 219148038 /nfs/dbraw/zinc/14/80/38/219148038.db2.gz RWTHEPBNRJQKOT-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO Nc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000596650997 398472340 /nfs/dbraw/zinc/47/23/40/398472340.db2.gz NHHKXMLKPLHFIF-GJZGRUSLSA-N 1 0 315.377 2.647 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000090032123 398474067 /nfs/dbraw/zinc/47/40/67/398474067.db2.gz QTZXRBYKSSZFNN-LBPRGKRZSA-N 1 0 315.377 2.723 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCn2cnnc2C2CC2)cccc1[N+](=O)[O-] ZINC000090032376 398474264 /nfs/dbraw/zinc/47/42/64/398474264.db2.gz NSLVDBUPTLWWTI-GFCCVEGCSA-N 1 0 315.377 2.723 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000592772781 398482871 /nfs/dbraw/zinc/48/28/71/398482871.db2.gz PVOUKPGKPDPSKJ-DFBGVHRSSA-N 1 0 305.378 2.502 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000592772203 398483021 /nfs/dbraw/zinc/48/30/21/398483021.db2.gz MGWVYUFEYZRUPD-HUUCEWRRSA-N 1 0 307.394 2.748 20 5 DFBDRO C[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCCCC1 ZINC000029455275 398485590 /nfs/dbraw/zinc/48/55/90/398485590.db2.gz RRTOGPVBSPKTTQ-UHFFFAOYSA-N 1 0 305.378 2.706 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2nccs2)cc1[N+](=O)[O-] ZINC000181810331 199355562 /nfs/dbraw/zinc/35/55/62/199355562.db2.gz MHXQAMYQEFBGNT-JTQLQIEISA-N 1 0 320.374 2.649 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000330981611 232271625 /nfs/dbraw/zinc/27/16/25/232271625.db2.gz PUBVHGFEMTUIPP-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000459518961 299123877 /nfs/dbraw/zinc/12/38/77/299123877.db2.gz HAWNQYGMWIELKO-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000030148714 398497068 /nfs/dbraw/zinc/49/70/68/398497068.db2.gz ANCCQONTBODOEY-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000030148713 398497516 /nfs/dbraw/zinc/49/75/16/398497516.db2.gz ANCCQONTBODOEY-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000068443565 398504635 /nfs/dbraw/zinc/50/46/35/398504635.db2.gz QVRHLWYXBOTALI-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO O=C(CC[C@@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966086 398511857 /nfs/dbraw/zinc/51/18/57/398511857.db2.gz YSZWQSXGAPCJDS-AWEZNQCLSA-N 1 0 317.389 2.618 20 5 DFBDRO CCOC[C@H]([NH2+]Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000593029145 398525638 /nfs/dbraw/zinc/52/56/38/398525638.db2.gz VDYDFIGBKBKUAX-AWEZNQCLSA-N 1 0 324.377 2.532 20 5 DFBDRO Cc1nn(C)c(NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000589101378 398525691 /nfs/dbraw/zinc/52/56/91/398525691.db2.gz WOTIQAJKGUMBIH-UHFFFAOYSA-N 1 0 321.425 2.727 20 5 DFBDRO C[C@]1(c2cccc(F)c2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593040807 398528428 /nfs/dbraw/zinc/52/84/28/398528428.db2.gz MLAXBDVLRUXRGI-INIZCTEOSA-N 1 0 318.352 2.594 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1-c1noc(CC2CC[NH+](C)CC2)n1 ZINC000589128376 398529170 /nfs/dbraw/zinc/52/91/70/398529170.db2.gz IQWIBBITKIQZKG-UHFFFAOYSA-N 1 0 316.361 2.838 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000091453526 398529319 /nfs/dbraw/zinc/52/93/19/398529319.db2.gz UEABLVCCFWGKPE-MRXNPFEDSA-N 1 0 319.405 2.806 20 5 DFBDRO CC(C)O[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593055269 398532722 /nfs/dbraw/zinc/53/27/22/398532722.db2.gz IZBHMCIJBSTHDS-MRXNPFEDSA-N 1 0 308.378 2.863 20 5 DFBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000032731294 398536157 /nfs/dbraw/zinc/53/61/57/398536157.db2.gz VPVZABMHIBSDKG-OLZOCXBDSA-N 1 0 305.378 2.588 20 5 DFBDRO C[N@H+](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068906052 398537349 /nfs/dbraw/zinc/53/73/49/398537349.db2.gz WBFVFFBXTBJUHQ-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593082938 398540518 /nfs/dbraw/zinc/54/05/18/398540518.db2.gz YXDILFKLJVOJBA-LLVKDONJSA-N 1 0 303.362 2.844 20 5 DFBDRO CCc1nn(C)c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000091727983 398542323 /nfs/dbraw/zinc/54/23/23/398542323.db2.gz CONOMRZNKWYNHH-CYBMUJFWSA-N 1 0 321.425 2.567 20 5 DFBDRO COc1cc(NCc2ccc(C[NH3+])cc2)c([N+](=O)[O-])cc1C ZINC000320197312 398546420 /nfs/dbraw/zinc/54/64/20/398546420.db2.gz DIWIBUKEQVVNQJ-UHFFFAOYSA-N 1 0 301.346 2.983 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776431 215135748 /nfs/dbraw/zinc/13/57/48/215135748.db2.gz NIWNRPOWBHNBGD-ZIAGYGMSSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(NCC[NH+]3CCCCCC3)c2c1 ZINC000321940540 398554511 /nfs/dbraw/zinc/55/45/11/398554511.db2.gz BFCNGFXTJKZAEG-UHFFFAOYSA-N 1 0 315.377 2.826 20 5 DFBDRO COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950651 398555260 /nfs/dbraw/zinc/55/52/60/398555260.db2.gz GUIFUGKLMRYABV-GJZGRUSLSA-N 1 0 319.405 2.567 20 5 DFBDRO CC(=O)c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000322417462 398557744 /nfs/dbraw/zinc/55/77/44/398557744.db2.gz UPNVCIDWGZZVQV-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CC(CF)(CF)C3)nc2c1 ZINC000597114705 398568389 /nfs/dbraw/zinc/56/83/89/398568389.db2.gz BYTMVZZTXOHGHS-UHFFFAOYSA-N 1 0 310.304 2.649 20 5 DFBDRO Cc1sc(C(=O)NCCC[N@@H+](C)CC(C)C)cc1[N+](=O)[O-] ZINC000593203429 398570827 /nfs/dbraw/zinc/57/08/27/398570827.db2.gz CBOYSCWEKKAXOS-UHFFFAOYSA-N 1 0 313.423 2.672 20 5 DFBDRO Cc1c(CC(=O)NCCC[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000593203593 398571528 /nfs/dbraw/zinc/57/15/28/398571528.db2.gz PHTGZSOIRVSBRF-UHFFFAOYSA-N 1 0 321.421 2.540 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593230106 398576135 /nfs/dbraw/zinc/57/61/35/398576135.db2.gz XOQJBVYMHNCREM-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593232462 398576986 /nfs/dbraw/zinc/57/69/86/398576986.db2.gz OLPLLUXJIPRAIO-NWDGAFQWSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000593229311 398576232 /nfs/dbraw/zinc/57/62/32/398576232.db2.gz JNCUUJYLANGFAO-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000071148321 190936593 /nfs/dbraw/zinc/93/65/93/190936593.db2.gz PGRCZDCIVYXCND-SECBINFHSA-N 1 0 303.284 2.659 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2ccc(C[NH3+])cc2F)n1 ZINC000593234031 398577798 /nfs/dbraw/zinc/57/77/98/398577798.db2.gz BPBWCVUJMIVRCR-UHFFFAOYSA-N 1 0 304.325 2.817 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2NCCC1CC[NH2+]CC1 ZINC000593233823 398577660 /nfs/dbraw/zinc/57/76/60/398577660.db2.gz WLNFTJZHLJHPDO-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593234138 398577700 /nfs/dbraw/zinc/57/77/00/398577700.db2.gz ZBIAXGYQFXHGPO-CQSZACIVSA-N 1 0 302.378 2.953 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000042058961 398581536 /nfs/dbraw/zinc/58/15/36/398581536.db2.gz AJSQNKUDMNOSDX-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000589938384 398584376 /nfs/dbraw/zinc/58/43/76/398584376.db2.gz OFYXCMCPZFVPJQ-WCBMZHEXSA-N 1 0 310.297 2.592 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092582720 398585957 /nfs/dbraw/zinc/58/59/57/398585957.db2.gz OLIJSZDWNNZORQ-UHFFFAOYSA-N 1 0 303.309 2.948 20 5 DFBDRO CCOc1cc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092654316 398590210 /nfs/dbraw/zinc/59/02/10/398590210.db2.gz VXSSJSFEXNXEBZ-JSGCOSHPSA-N 1 0 305.378 2.666 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000597212346 398591718 /nfs/dbraw/zinc/59/17/18/398591718.db2.gz UQFARIJYQFMMLE-NWKGZZRFSA-N 1 0 302.374 2.966 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000092672378 398593105 /nfs/dbraw/zinc/59/31/05/398593105.db2.gz XXMWWGZUXFGFSI-ZJUUUORDSA-N 1 0 309.341 2.780 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000597219278 398593950 /nfs/dbraw/zinc/59/39/50/398593950.db2.gz AKRYMKGGHFXRHO-BWPSIRRCSA-N 1 0 303.362 2.700 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000597236946 398600898 /nfs/dbraw/zinc/60/08/98/398600898.db2.gz ZHMRZQZFDYEFLU-ZBFHGGJFSA-N 1 0 306.362 2.806 20 5 DFBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1(CO)CC1 ZINC000597254849 398608211 /nfs/dbraw/zinc/60/82/11/398608211.db2.gz MNXBJPQKALYSLP-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000043149714 398614544 /nfs/dbraw/zinc/61/45/44/398614544.db2.gz OHDNDDHYOIQSND-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000043148411 398614561 /nfs/dbraw/zinc/61/45/61/398614561.db2.gz VYPUWUFESXITAV-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000459703662 299167797 /nfs/dbraw/zinc/16/77/97/299167797.db2.gz GOKYFQFIDOOIRO-HNNXBMFYSA-N 1 0 308.378 2.865 20 5 DFBDRO COc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)c([N+](=O)[O-])cc1F ZINC000414631983 295808978 /nfs/dbraw/zinc/80/89/78/295808978.db2.gz XIVRCMWJXCYRQW-JTQLQIEISA-N 1 0 324.312 2.838 20 5 DFBDRO CN(C)C(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152591885 186088202 /nfs/dbraw/zinc/08/82/02/186088202.db2.gz CPNMHMOWUBXTAK-HNNXBMFYSA-N 1 0 305.422 2.846 20 5 DFBDRO O=C(C[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000152640731 186092573 /nfs/dbraw/zinc/09/25/73/186092573.db2.gz LXIXAAXJECXHDD-QWRGUYRKSA-N 1 0 323.780 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000593462141 398636043 /nfs/dbraw/zinc/63/60/43/398636043.db2.gz RTVDEOSFGONAEZ-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593469559 398639446 /nfs/dbraw/zinc/63/94/46/398639446.db2.gz XPLMMOQFKZYNPA-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000414662934 295813069 /nfs/dbraw/zinc/81/30/69/295813069.db2.gz RQXIXQDJVURFOY-DGCLKSJQSA-N 1 0 306.366 2.637 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000072873351 398643811 /nfs/dbraw/zinc/64/38/11/398643811.db2.gz AQXIEISFDRFKMD-RYUDHWBXSA-N 1 0 321.377 2.520 20 5 DFBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590661471 398647268 /nfs/dbraw/zinc/64/72/68/398647268.db2.gz USWIOYIQNAELPZ-IAQYHMDHSA-N 1 0 302.330 2.810 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000590657229 398646321 /nfs/dbraw/zinc/64/63/21/398646321.db2.gz HHAGXMBJRISIDA-YPMHNXCESA-N 1 0 312.753 2.680 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC[NH+]1CCCCC1 ZINC000593515193 398649858 /nfs/dbraw/zinc/64/98/58/398649858.db2.gz CZCAXHCEYBSBFT-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000267819810 186366685 /nfs/dbraw/zinc/36/66/85/186366685.db2.gz OLLMFCLHWVKBQW-STQMWFEESA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1c(NC(=O)N2CCC3(C2)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000414699956 295817405 /nfs/dbraw/zinc/81/74/05/295817405.db2.gz JYZDEGSIIPYDHT-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269582384 186390785 /nfs/dbraw/zinc/39/07/85/186390785.db2.gz FXCDJRUFDZPBEB-MRXNPFEDSA-N 1 0 317.389 2.618 20 5 DFBDRO O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269582383 186390855 /nfs/dbraw/zinc/39/08/55/186390855.db2.gz FXCDJRUFDZPBEB-INIZCTEOSA-N 1 0 317.389 2.618 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+](C)C)CC1 ZINC000277254821 213398079 /nfs/dbraw/zinc/39/80/79/213398079.db2.gz QMTQTCARBDJDQF-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459745467 299180799 /nfs/dbraw/zinc/18/07/99/299180799.db2.gz FNKPPBMANYRGNX-OAHLLOKOSA-N 1 0 320.389 2.647 20 5 DFBDRO CCN1CC[NH+](C[C@@H](C)CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000277204145 213364868 /nfs/dbraw/zinc/36/48/68/213364868.db2.gz YDTITHGIUOEWJU-AWEZNQCLSA-N 1 0 320.437 2.589 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000287216181 219386710 /nfs/dbraw/zinc/38/67/10/219386710.db2.gz XFOOPTZMHAKNEL-LBPRGKRZSA-N 1 0 306.362 2.991 20 5 DFBDRO CO[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590757226 398667848 /nfs/dbraw/zinc/66/78/48/398667848.db2.gz CGEWSQFJOQSJTB-CZUORRHYSA-N 1 0 308.378 2.721 20 5 DFBDRO Cc1c(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277186545 213353298 /nfs/dbraw/zinc/35/32/98/213353298.db2.gz UJJQSFPDAJEPDA-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H](Cc1cccc(F)c1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000459766145 299185945 /nfs/dbraw/zinc/18/59/45/299185945.db2.gz OXJUNQQNWMRGKV-NSHDSACASA-N 1 0 306.341 2.530 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C1CC3(CCC3)C1)OCCO2 ZINC000593687207 398670374 /nfs/dbraw/zinc/67/03/74/398670374.db2.gz GVQNHMDPUMZPEY-UHFFFAOYSA-N 1 0 304.346 2.788 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H](CO)CCF)o2)cc1 ZINC000593688349 398671207 /nfs/dbraw/zinc/67/12/07/398671207.db2.gz GNXLYYQBRPNLFJ-LBPRGKRZSA-N 1 0 308.309 2.665 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414950735 295839643 /nfs/dbraw/zinc/83/96/43/295839643.db2.gz GKROHYRUDRHTPX-LRDDRELGSA-N 1 0 315.373 2.942 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C1CC1 ZINC000593696165 398673253 /nfs/dbraw/zinc/67/32/53/398673253.db2.gz DYGHYTGAWQIPMP-LSDHHAIUSA-N 1 0 318.373 2.534 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000459774422 299188791 /nfs/dbraw/zinc/18/87/91/299188791.db2.gz UBGARKRFNCOJQO-CABCVRRESA-N 1 0 306.362 2.651 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)n2)c1 ZINC000459774833 299188880 /nfs/dbraw/zinc/18/88/80/299188880.db2.gz JLRASXSTHPCCOX-SWHYSGLUSA-N 1 0 314.345 2.923 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000072693540 191216118 /nfs/dbraw/zinc/21/61/18/191216118.db2.gz UOIHMNDDCDZSQO-BBRMVZONSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000172964031 198171055 /nfs/dbraw/zinc/17/10/55/198171055.db2.gz BYNXHVFGRVHHEU-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO COCC[NH2+]C1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593728448 398677980 /nfs/dbraw/zinc/67/79/80/398677980.db2.gz HVXBYPMBUBOOSU-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072897152 191249537 /nfs/dbraw/zinc/24/95/37/191249537.db2.gz RJBBDBBDXLJOIC-OLZOCXBDSA-N 1 0 305.378 2.678 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173362098 198206825 /nfs/dbraw/zinc/20/68/25/198206825.db2.gz CSZUIEGEHCBQKO-NEPJUHHUSA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000173407477 198212521 /nfs/dbraw/zinc/21/25/21/198212521.db2.gz UTITXWZQKHESJT-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H]([N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000045769599 398684393 /nfs/dbraw/zinc/68/43/93/398684393.db2.gz BUPHWLUDWMYZTL-GFCCVEGCSA-N 1 0 307.394 2.924 20 5 DFBDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173406376 198210918 /nfs/dbraw/zinc/21/09/18/198210918.db2.gz RXQSDUFIYXGCCS-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCc2sccc2C1 ZINC000073587999 398689399 /nfs/dbraw/zinc/68/93/99/398689399.db2.gz YZUCZPFCDKJFIC-NSHDSACASA-N 1 0 318.402 2.910 20 5 DFBDRO COCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000073616341 398690888 /nfs/dbraw/zinc/69/08/88/398690888.db2.gz XCAZYKUBWINCCN-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO CC(C)[C@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173862339 198262266 /nfs/dbraw/zinc/26/22/66/198262266.db2.gz DVTIVNWNFKPZFM-CQSZACIVSA-N 1 0 323.418 2.607 20 5 DFBDRO CC[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173925118 198270118 /nfs/dbraw/zinc/27/01/18/198270118.db2.gz JSPYLAKMLVESPP-RYUDHWBXSA-N 1 0 323.418 2.749 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000174135216 198295847 /nfs/dbraw/zinc/29/58/47/198295847.db2.gz SPMDTVHLEMXHFK-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC000593903512 398701994 /nfs/dbraw/zinc/70/19/94/398701994.db2.gz CZIGLESDFLJEID-OAHLLOKOSA-N 1 0 319.405 2.722 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cccc1[N+](=O)[O-] ZINC000597857652 398705005 /nfs/dbraw/zinc/70/50/05/398705005.db2.gz HWKVFBWPRDOGRQ-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000593915988 398703175 /nfs/dbraw/zinc/70/31/75/398703175.db2.gz NAUTYXHIMYDLKK-ABAIWWIYSA-N 1 0 319.405 2.801 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1[N+](=O)[O-] ZINC000597859671 398705896 /nfs/dbraw/zinc/70/58/96/398705896.db2.gz XMMVMGVPRUFKDG-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174521285 198345794 /nfs/dbraw/zinc/34/57/94/198345794.db2.gz OGXNBTMNAOQCKR-AWEZNQCLSA-N 1 0 317.389 2.543 20 5 DFBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590970429 398710643 /nfs/dbraw/zinc/71/06/43/398710643.db2.gz SGYTZVBCDXMNJE-DGCLKSJQSA-N 1 0 306.362 2.890 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000590970314 398711270 /nfs/dbraw/zinc/71/12/70/398711270.db2.gz QKBBCOACKVWRRT-CVEARBPZSA-N 1 0 302.374 2.904 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415251967 295872559 /nfs/dbraw/zinc/87/25/59/295872559.db2.gz AMMSANYYFGIAHU-ZWNOBZJWSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415289879 295875570 /nfs/dbraw/zinc/87/55/70/295875570.db2.gz CHSROCMYLLQVHK-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061984 398720584 /nfs/dbraw/zinc/72/05/84/398720584.db2.gz QEBONLYQAAZRQV-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415303666 295876182 /nfs/dbraw/zinc/87/61/82/295876182.db2.gz VAKMXHDWQQOKQO-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000594020989 398724359 /nfs/dbraw/zinc/72/43/59/398724359.db2.gz OTJJMDWWXYFSJR-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1cc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000415440871 295883287 /nfs/dbraw/zinc/88/32/87/295883287.db2.gz SAXNINWLVHINSY-CQSZACIVSA-N 1 0 320.393 2.803 20 5 DFBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[N@H+](C)C1 ZINC000597945026 398725967 /nfs/dbraw/zinc/72/59/67/398725967.db2.gz GQXBTMAKNRQPHD-CYBMUJFWSA-N 1 0 317.345 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415479201 295886063 /nfs/dbraw/zinc/88/60/63/295886063.db2.gz FCLBGOJJWASRNB-UHFFFAOYSA-N 1 0 318.377 2.643 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000415483512 295886669 /nfs/dbraw/zinc/88/66/69/295886669.db2.gz MVESESAQYMNDOT-GFCCVEGCSA-N 1 0 320.393 2.803 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415481775 295886295 /nfs/dbraw/zinc/88/62/95/295886295.db2.gz JBSFFURRYYUOKI-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000415489462 295887470 /nfs/dbraw/zinc/88/74/70/295887470.db2.gz XCDRLDHUSGVMOY-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415584225 295891927 /nfs/dbraw/zinc/89/19/27/295891927.db2.gz SFYXAHCNPDIPTK-QWHCGFSZSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415579828 295892039 /nfs/dbraw/zinc/89/20/39/295892039.db2.gz KRGHWKNBFUEUSJ-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415584530 295892149 /nfs/dbraw/zinc/89/21/49/295892149.db2.gz SVNJYYFDAHOFQF-UHFFFAOYSA-N 1 0 306.366 2.603 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000591152846 398733390 /nfs/dbraw/zinc/73/33/90/398733390.db2.gz FEEAYQJDWJFDRE-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000276980920 213216976 /nfs/dbraw/zinc/21/69/76/213216976.db2.gz YGHXIZXXFDJZNX-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1sc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000047143249 398737917 /nfs/dbraw/zinc/73/79/17/398737917.db2.gz QRBWZYXTSXIKKM-JTQLQIEISA-N 1 0 311.407 2.569 20 5 DFBDRO CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038199 398741818 /nfs/dbraw/zinc/74/18/18/398741818.db2.gz AIGXKZIQWHCITP-XJKSGUPXSA-N 1 0 319.405 2.641 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000591270340 398744667 /nfs/dbraw/zinc/74/46/67/398744667.db2.gz RSGHKAOEAQANJI-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO CC[C@@H](NC(=O)NCCC[NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000591359256 398752804 /nfs/dbraw/zinc/75/28/04/398752804.db2.gz HLBCPLNEDGVUKD-OAHLLOKOSA-N 1 0 322.409 2.733 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000591424396 398758852 /nfs/dbraw/zinc/75/88/52/398758852.db2.gz BHIBHCCJOCZOIH-ZDUSSCGKSA-N 1 0 317.345 2.724 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1OC(F)F ZINC000591429953 398759208 /nfs/dbraw/zinc/75/92/08/398759208.db2.gz LGUPVEPVEPZYOI-JTQLQIEISA-N 1 0 301.293 2.750 20 5 DFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000591437544 398760894 /nfs/dbraw/zinc/76/08/94/398760894.db2.gz KQSPPOMJSMARIR-MWLCHTKSSA-N 1 0 315.320 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc1-c1ccccc1 ZINC000591438575 398760982 /nfs/dbraw/zinc/76/09/82/398760982.db2.gz NKBRJHOFGWRQSV-DZGCQCFKSA-N 1 0 324.384 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000591440877 398761577 /nfs/dbraw/zinc/76/15/77/398761577.db2.gz WCEWIAIJEMITIT-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591443033 398762255 /nfs/dbraw/zinc/76/22/55/398762255.db2.gz WUMHLNNSMZTQHV-RYUDHWBXSA-N 1 0 324.812 2.859 20 5 DFBDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000598162577 398762608 /nfs/dbraw/zinc/76/26/08/398762608.db2.gz JPPIHINVTDXUKS-UHFFFAOYSA-N 1 0 319.405 2.526 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517064 192278860 /nfs/dbraw/zinc/27/88/60/192278860.db2.gz XOVWNQSLEPYQBW-HNNXBMFYSA-N 1 0 321.421 2.637 20 5 DFBDRO CC1(C)C[C@H](NC[C@@H]2C[C@H](F)C[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591579969 398773968 /nfs/dbraw/zinc/77/39/68/398773968.db2.gz BRDRJOKVNWACPR-PGUXBMHVSA-N 1 0 307.369 2.607 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000598261927 398779685 /nfs/dbraw/zinc/77/96/85/398779685.db2.gz IRKBYVQGIWLZAU-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000598262465 398780121 /nfs/dbraw/zinc/78/01/21/398780121.db2.gz KNAVAGLMMGDVSD-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591735396 398783126 /nfs/dbraw/zinc/78/31/26/398783126.db2.gz YVYNMJPAUOKTRG-MGPQQGTHSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)CC2CCCC2)cc1 ZINC000591735540 398783261 /nfs/dbraw/zinc/78/32/61/398783261.db2.gz CJIIKEDRSMATAJ-OAHLLOKOSA-N 1 0 308.378 2.504 20 5 DFBDRO CC1(C)CCC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591762995 398785456 /nfs/dbraw/zinc/78/54/56/398785456.db2.gz USPDCQMYBDPXAN-KGLIPLIRSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1ccc(NCCC[NH2+]C[C@@H](O)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000591742662 398784237 /nfs/dbraw/zinc/78/42/37/398784237.db2.gz PZOQCGBOBGJSNF-OAHLLOKOSA-N 1 0 309.410 2.702 20 5 DFBDRO CCOc1cc(C[N@H+](C)C2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000276888539 213155973 /nfs/dbraw/zinc/15/59/73/213155973.db2.gz JQJAOGGCYNZWOK-UHFFFAOYSA-N 1 0 322.405 2.976 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000178654152 198904846 /nfs/dbraw/zinc/90/48/46/198904846.db2.gz XAPQNLPHMDEVSD-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000594445655 398804872 /nfs/dbraw/zinc/80/48/72/398804872.db2.gz JPBHDEFFEZXIPM-VYDXJSESSA-N 1 0 317.389 2.552 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075505749 398807483 /nfs/dbraw/zinc/80/74/83/398807483.db2.gz HQUWTAHDONEHQR-CYBMUJFWSA-N 1 0 323.418 2.747 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494678 398808828 /nfs/dbraw/zinc/80/88/28/398808828.db2.gz QSRWPRMMHYZXGS-HUUCEWRRSA-N 1 0 312.373 2.983 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000179367263 199022461 /nfs/dbraw/zinc/02/24/61/199022461.db2.gz SWFRDLAFAAUNKR-YFCVBGDOSA-N 1 0 318.373 2.693 20 5 DFBDRO COCC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000594511054 398813094 /nfs/dbraw/zinc/81/30/94/398813094.db2.gz PEEULLBFYDOWAY-HNNXBMFYSA-N 1 0 304.390 2.932 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCCC(=O)N(C)C)cc1[N+](=O)[O-] ZINC000179411658 199030566 /nfs/dbraw/zinc/03/05/66/199030566.db2.gz ZBNXHCXPXGNWOB-GFCCVEGCSA-N 1 0 323.393 2.513 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000075685352 398817981 /nfs/dbraw/zinc/81/79/81/398817981.db2.gz XOXZJHIZSXZOMM-CHWSQXEVSA-N 1 0 305.378 2.633 20 5 DFBDRO CC(C)c1ccc(CN[C@@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594583570 398824567 /nfs/dbraw/zinc/82/45/67/398824567.db2.gz WWPHNXSFRRJELV-LBPRGKRZSA-N 1 0 305.300 2.697 20 5 DFBDRO Cc1cc(NC[C@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594592541 398826202 /nfs/dbraw/zinc/82/62/02/398826202.db2.gz QRORKAXSXSSRMG-MELADBBJSA-N 1 0 307.394 2.813 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000594595132 398827069 /nfs/dbraw/zinc/82/70/69/398827069.db2.gz SXFMGIPFPLFWRZ-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000594693418 398843302 /nfs/dbraw/zinc/84/33/02/398843302.db2.gz OBKRWEBKNWTAFW-UHFFFAOYSA-N 1 0 300.362 2.830 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000594693792 398843742 /nfs/dbraw/zinc/84/37/42/398843742.db2.gz URQCGVBURNCIAM-HNNXBMFYSA-N 1 0 318.421 2.823 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276661344 213030169 /nfs/dbraw/zinc/03/01/69/213030169.db2.gz RVVFAZKBIPDEKU-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000237332912 202235757 /nfs/dbraw/zinc/23/57/57/202235757.db2.gz PUYOQMLZKLOVRK-GHMZBOCLSA-N 1 0 323.418 2.516 20 5 DFBDRO CC(C)n1ccnc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000594923140 398872399 /nfs/dbraw/zinc/87/23/99/398872399.db2.gz IVBUPNPWWJXKPK-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnn2CC2CC2)cc1 ZINC000594919003 398871226 /nfs/dbraw/zinc/87/12/26/398871226.db2.gz FQIFJJYFHSUVEC-UHFFFAOYSA-N 1 0 300.362 2.534 20 5 DFBDRO CCOc1cccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000180667939 199193704 /nfs/dbraw/zinc/19/37/04/199193704.db2.gz IXPFGWLRBCTEKL-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO CCOc1cccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000180667917 199193320 /nfs/dbraw/zinc/19/33/20/199193320.db2.gz IXPFGWLRBCTEKL-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594957067 398881376 /nfs/dbraw/zinc/88/13/76/398881376.db2.gz MWOKMSJMWPIODH-CQSZACIVSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594957063 398880809 /nfs/dbraw/zinc/88/08/09/398880809.db2.gz MWOKMSJMWPIODH-AWEZNQCLSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@H]2CC2(F)F)c(Cl)c1 ZINC000594971361 398883897 /nfs/dbraw/zinc/88/38/97/398883897.db2.gz GPJWOFGNLMYIIU-NSHDSACASA-N 1 0 306.696 2.762 20 5 DFBDRO CC[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000594959686 398882093 /nfs/dbraw/zinc/88/20/93/398882093.db2.gz XBKPTEZTTFNWNG-OCCSQVGLSA-N 1 0 303.362 2.776 20 5 DFBDRO CCSC1(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 ZINC000594986576 398887045 /nfs/dbraw/zinc/88/70/45/398887045.db2.gz HIPHZTCJYFWAKC-UHFFFAOYSA-N 1 0 312.391 2.684 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000594979081 398885840 /nfs/dbraw/zinc/88/58/40/398885840.db2.gz HYKALXWBWWHVJE-ZIAGYGMSSA-N 1 0 320.418 2.891 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCC(O)CC1 ZINC000594992062 398887892 /nfs/dbraw/zinc/88/78/92/398887892.db2.gz OJMYURYVXSBDDR-UHFFFAOYSA-N 1 0 308.378 2.634 20 5 DFBDRO NC(=O)CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000595001999 398889504 /nfs/dbraw/zinc/88/95/04/398889504.db2.gz ZMFDWZYDYTYKOL-UHFFFAOYSA-N 1 0 305.378 2.510 20 5 DFBDRO CC[NH+](CC)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005936 398890313 /nfs/dbraw/zinc/89/03/13/398890313.db2.gz GHPKXPJAGANUPZ-ZDUSSCGKSA-N 1 0 309.410 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000595006416 398889981 /nfs/dbraw/zinc/88/99/81/398889981.db2.gz JRDQECGVGWSIAZ-GFCCVEGCSA-N 1 0 309.410 2.842 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000595008292 398891247 /nfs/dbraw/zinc/89/12/47/398891247.db2.gz DCYFRMOOXYJXAN-IHRRRGAJSA-N 1 0 319.405 2.881 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000595015332 398891436 /nfs/dbraw/zinc/89/14/36/398891436.db2.gz UBOIJQKZBZNPCT-NSHDSACASA-N 1 0 323.393 2.559 20 5 DFBDRO COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000595014308 398891476 /nfs/dbraw/zinc/89/14/76/398891476.db2.gz NVIBAMWELFQQEW-HNNXBMFYSA-N 1 0 308.378 2.516 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598912954 398892120 /nfs/dbraw/zinc/89/21/20/398892120.db2.gz DBKQDFRWECCNJC-KWQFWETISA-N 1 0 312.757 2.510 20 5 DFBDRO CN(CCOc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@@H+]1C ZINC000173959638 283392007 /nfs/dbraw/zinc/39/20/07/283392007.db2.gz LWLQJVIZTOGKTQ-OAHLLOKOSA-N 1 0 321.421 2.780 20 5 DFBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccn(C)c(=O)c1 ZINC000140824989 398892521 /nfs/dbraw/zinc/89/25/21/398892521.db2.gz YSZHUYFNPTZQJX-UHFFFAOYSA-N 1 0 315.373 2.704 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000595015862 398892639 /nfs/dbraw/zinc/89/26/39/398892639.db2.gz UFAONKFCMWBJKC-NWDGAFQWSA-N 1 0 304.350 2.539 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000598915495 398892823 /nfs/dbraw/zinc/89/28/23/398892823.db2.gz MYJARCWMTYGTIK-WFASDCNBSA-N 1 0 318.377 2.591 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000595021590 398893053 /nfs/dbraw/zinc/89/30/53/398893053.db2.gz PXOKMTKTQYCBJG-PWSUYJOCSA-N 1 0 316.361 2.535 20 5 DFBDRO CCOC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595020354 398893508 /nfs/dbraw/zinc/89/35/08/398893508.db2.gz XBYGTLAZGPLWQX-UHFFFAOYSA-N 1 0 308.378 2.911 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1ccnc1C ZINC000595019428 398893210 /nfs/dbraw/zinc/89/32/10/398893210.db2.gz WCVFRXOCTGEWBF-LBPRGKRZSA-N 1 0 318.377 2.849 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1ccnc1C ZINC000595019424 398893602 /nfs/dbraw/zinc/89/36/02/398893602.db2.gz WCVFRXOCTGEWBF-GFCCVEGCSA-N 1 0 318.377 2.849 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC1(O)CCC1 ZINC000595042652 398896308 /nfs/dbraw/zinc/89/63/08/398896308.db2.gz AVNXVGMJOYIDMT-LBPRGKRZSA-N 1 0 308.378 2.949 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](O)C(F)F ZINC000595040261 398896358 /nfs/dbraw/zinc/89/63/58/398896358.db2.gz FSMQAWMOVNDNBX-WLTAIBSBSA-N 1 0 318.320 2.659 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595058448 398899230 /nfs/dbraw/zinc/89/92/30/398899230.db2.gz BOTGOWXFXZAMKM-XXLGZCRASA-N 1 0 310.419 2.935 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000595049539 398898443 /nfs/dbraw/zinc/89/84/43/398898443.db2.gz CSSWNZNKLKNJBS-LBPRGKRZSA-N 1 0 316.361 2.595 20 5 DFBDRO COC[C@@H](CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000595058454 398899277 /nfs/dbraw/zinc/89/92/77/398899277.db2.gz ARYUEOKDZUCCKT-CJNGLKHVSA-N 1 0 322.405 2.958 20 5 DFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000286226578 283442185 /nfs/dbraw/zinc/44/21/85/283442185.db2.gz UCFQFPJUQPHBDO-LBPRGKRZSA-N 1 0 317.345 2.685 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000595087127 398903434 /nfs/dbraw/zinc/90/34/34/398903434.db2.gz BDKXNBRURKDPDS-YPMHNXCESA-N 1 0 308.378 2.663 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)CCC2 ZINC000595070841 398901697 /nfs/dbraw/zinc/90/16/97/398901697.db2.gz ZTMJXLMAXRIPOL-UONOGXRCSA-N 1 0 312.316 2.986 20 5 DFBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595079067 398902897 /nfs/dbraw/zinc/90/28/97/398902897.db2.gz HNIMAIGOXJTEBV-GMXVVIOVSA-N 1 0 314.336 2.910 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000598984818 398902942 /nfs/dbraw/zinc/90/29/42/398902942.db2.gz CIYFREAWYBCQPD-QGZVFWFLSA-N 1 0 314.341 2.915 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)C1CC1 ZINC000595090965 398903615 /nfs/dbraw/zinc/90/36/15/398903615.db2.gz QCXUBZIEVIHJJS-UAGQMJEPSA-N 1 0 316.401 2.809 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](CO)CC1CC1 ZINC000595089904 398903918 /nfs/dbraw/zinc/90/39/18/398903918.db2.gz QKCLQKOLNFNIIQ-HIFRSBDPSA-N 1 0 306.406 2.914 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000598989440 398904209 /nfs/dbraw/zinc/90/42/09/398904209.db2.gz INIZJDQVBKGWKN-LBPRGKRZSA-N 1 0 314.267 2.685 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000470170777 299293470 /nfs/dbraw/zinc/29/34/70/299293470.db2.gz AFWBUEFGSRYYRN-IDJPSDCMSA-N 1 0 303.406 2.882 20 5 DFBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]2C[C@H]2C1 ZINC000599004795 398906784 /nfs/dbraw/zinc/90/67/84/398906784.db2.gz GLISVECIYDPFSS-PBKGOJFUSA-N 1 0 318.373 2.892 20 5 DFBDRO COc1ccccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000077506260 398907239 /nfs/dbraw/zinc/90/72/39/398907239.db2.gz YNCZUIKUKYOSFB-UHFFFAOYSA-N 1 0 302.330 2.772 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000187366302 200102643 /nfs/dbraw/zinc/10/26/43/200102643.db2.gz KBZMNQYJDWYMFZ-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187248435 200083398 /nfs/dbraw/zinc/08/33/98/200083398.db2.gz CKDCWFNBQHWYHO-NHYWBVRUSA-N 1 0 317.345 2.609 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599042865 398911347 /nfs/dbraw/zinc/91/13/47/398911347.db2.gz GHBPMYDNHGSCJP-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595232430 398911703 /nfs/dbraw/zinc/91/17/03/398911703.db2.gz BMHQXJJTLBMRHU-CYBMUJFWSA-N 1 0 308.382 2.652 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000595225843 398911753 /nfs/dbraw/zinc/91/17/53/398911753.db2.gz OYDQVRVSPIYKGS-AAEUAGOBSA-N 1 0 323.418 2.651 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C2([NH3+])CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595253155 398913055 /nfs/dbraw/zinc/91/30/55/398913055.db2.gz IVPASRXARSJYGI-LBPRGKRZSA-N 1 0 317.389 2.742 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000147913646 398913989 /nfs/dbraw/zinc/91/39/89/398913989.db2.gz SZDQUDUFJCFQHU-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO COC(=O)[C@]1(C)CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599058804 398914561 /nfs/dbraw/zinc/91/45/61/398914561.db2.gz VOENCENHOMTDQD-MRXNPFEDSA-N 1 0 315.329 2.532 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CCCN1CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599065355 398915562 /nfs/dbraw/zinc/91/55/62/398915562.db2.gz KMADFMDUDOKXQH-BXUZGUMPSA-N 1 0 313.348 2.975 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599071854 398917413 /nfs/dbraw/zinc/91/74/13/398917413.db2.gz UULAXZRYFYXYFA-KGLIPLIRSA-N 1 0 321.421 2.986 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000149276385 398917646 /nfs/dbraw/zinc/91/76/46/398917646.db2.gz DHDDVRPTUVWDFC-SNVBAGLBSA-N 1 0 303.284 2.754 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599092451 398919872 /nfs/dbraw/zinc/91/98/72/398919872.db2.gz HOYBAOAHNLRILT-WFASDCNBSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599094871 398920647 /nfs/dbraw/zinc/92/06/47/398920647.db2.gz ZRHXUKQHJZZWFO-JKSUJKDBSA-N 1 0 317.389 2.789 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000595331087 398922969 /nfs/dbraw/zinc/92/29/69/398922969.db2.gz NNZNZJQSANOJMP-CYBMUJFWSA-N 1 0 307.369 2.652 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000237777923 202351935 /nfs/dbraw/zinc/35/19/35/202351935.db2.gz OBDOYKZSQGZBJX-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188497493 200256214 /nfs/dbraw/zinc/25/62/14/200256214.db2.gz YRIHFMATXOVJJA-WFASDCNBSA-N 1 0 307.394 2.892 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000237848739 202368511 /nfs/dbraw/zinc/36/85/11/202368511.db2.gz HXFUTJGQWXHBST-NSHDSACASA-N 1 0 317.311 2.569 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N(C)CC1([NH+](C)C)CCC1 ZINC000188518762 200260483 /nfs/dbraw/zinc/26/04/83/200260483.db2.gz RLPJOZANCXWHJI-UHFFFAOYSA-N 1 0 307.394 2.662 20 5 DFBDRO Cc1noc(CN2CCC[C@H]2c2cccc(C)n2)c1[N+](=O)[O-] ZINC000595344799 398925014 /nfs/dbraw/zinc/92/50/14/398925014.db2.gz JBJVTUZUJJQLCE-ZDUSSCGKSA-N 1 0 302.334 2.932 20 5 DFBDRO CCO[C@H]1C[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344378 398925057 /nfs/dbraw/zinc/92/50/57/398925057.db2.gz CZDQPIGFZWPWKR-STQMWFEESA-N 1 0 309.366 2.671 20 5 DFBDRO CCOC1CC(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000188791395 200304005 /nfs/dbraw/zinc/30/40/05/200304005.db2.gz CEUBOFIVSFTCQV-UHFFFAOYSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c(F)c1 ZINC000599127008 398925488 /nfs/dbraw/zinc/92/54/88/398925488.db2.gz LRBNENLWUCYCJT-LBPRGKRZSA-N 1 0 308.357 2.948 20 5 DFBDRO CCc1nn(C)c(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126478 398925553 /nfs/dbraw/zinc/92/55/53/398925553.db2.gz HSJCIKBPGUENMF-ZDUSSCGKSA-N 1 0 321.425 2.710 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055405432 398929787 /nfs/dbraw/zinc/92/97/87/398929787.db2.gz WEPKIIIZWZYBIQ-WDEREUQCSA-N 1 0 311.407 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CCSC1)CCCC2 ZINC000417314599 296009287 /nfs/dbraw/zinc/00/92/87/296009287.db2.gz RLWZTVPOKHENLR-HZPDHXFCSA-N 1 0 322.430 2.820 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595393502 398931531 /nfs/dbraw/zinc/93/15/31/398931531.db2.gz QKUSDIJOMUSOAC-XJKSGUPXSA-N 1 0 324.352 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CC[N@@H+]1C1CCCC1)CCN2 ZINC000599165768 398932400 /nfs/dbraw/zinc/93/24/00/398932400.db2.gz SCFCSXJLDMIBKM-ZDUSSCGKSA-N 1 0 316.405 2.992 20 5 DFBDRO Cc1ccoc1CN(C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000292392781 223046223 /nfs/dbraw/zinc/04/62/23/223046223.db2.gz SKVBPHGNGFXCHB-GFCCVEGCSA-N 1 0 317.345 2.955 20 5 DFBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000471809812 299307185 /nfs/dbraw/zinc/30/71/85/299307185.db2.gz JETAYWNYHOOXRS-RISCZKNCSA-N 1 0 302.330 2.810 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000078022578 398934509 /nfs/dbraw/zinc/93/45/09/398934509.db2.gz FPJHZBNLPXWFGG-QGZVFWFLSA-N 1 0 314.389 2.919 20 5 DFBDRO COCCOCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347931 296012375 /nfs/dbraw/zinc/01/23/75/296012375.db2.gz XZCJOQKCYLILPR-MRXNPFEDSA-N 1 0 308.378 2.615 20 5 DFBDRO C[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000417357989 296013287 /nfs/dbraw/zinc/01/32/87/296013287.db2.gz HIBLPWGJACXATL-WBVHZDCISA-N 1 0 317.389 2.621 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153227007 398935598 /nfs/dbraw/zinc/93/55/98/398935598.db2.gz HOMAYXAFTPGLGW-DZGCQCFKSA-N 1 0 321.421 2.522 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363283 296013976 /nfs/dbraw/zinc/01/39/76/296013976.db2.gz ATQCCXGSPOAUQR-TZMCWYRMSA-N 1 0 313.348 2.975 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000417381245 296015153 /nfs/dbraw/zinc/01/51/53/296015153.db2.gz MBHZUPSDVYIOEI-CYBMUJFWSA-N 1 0 322.405 2.813 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417387824 296015775 /nfs/dbraw/zinc/01/57/75/296015775.db2.gz VAVRQQDYNZWWFL-ZDUSSCGKSA-N 1 0 322.405 2.813 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442198 398939451 /nfs/dbraw/zinc/93/94/51/398939451.db2.gz QCDODXNOQNKGAV-WBMJQRKESA-N 1 0 318.348 2.988 20 5 DFBDRO CCC1(CC)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@H](C)[C@@H]1OC ZINC000595454042 398941793 /nfs/dbraw/zinc/94/17/93/398941793.db2.gz HQNGBJWONVUWGW-FZZIBODNSA-N 1 0 311.382 2.821 20 5 DFBDRO COc1ccc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507451 398952961 /nfs/dbraw/zinc/95/29/61/398952961.db2.gz NLOTUKKYPIEUBT-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(CCO)CCCC2)c(F)c1 ZINC000595509806 398954283 /nfs/dbraw/zinc/95/42/83/398954283.db2.gz WFZNUOLZOOGFGR-UHFFFAOYSA-N 1 0 300.305 2.658 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000157590303 398955011 /nfs/dbraw/zinc/95/50/11/398955011.db2.gz ZKCFCDGVXGQPPB-QWRGUYRKSA-N 1 0 321.377 2.709 20 5 DFBDRO Cc1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281365286 216250944 /nfs/dbraw/zinc/25/09/44/216250944.db2.gz MIXPYQLEZIIPRE-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO COC(=O)c1cc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000078502484 398961766 /nfs/dbraw/zinc/96/17/66/398961766.db2.gz UMGGFULYLNZAPG-UHFFFAOYSA-N 1 0 321.377 2.669 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1 ZINC000078507045 398961911 /nfs/dbraw/zinc/96/19/11/398961911.db2.gz FKJNKSYUNKGKNE-INIZCTEOSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000613389193 398968800 /nfs/dbraw/zinc/96/88/00/398968800.db2.gz KQBSZLPBMGCVHW-BBRMVZONSA-N 1 0 300.358 2.849 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281433543 216296004 /nfs/dbraw/zinc/29/60/04/216296004.db2.gz RDQMXGLLAGFKAX-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO C[C@]1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCS1 ZINC000600157065 398977823 /nfs/dbraw/zinc/97/78/23/398977823.db2.gz YRFSBWNBGALIMZ-CQSZACIVSA-N 1 0 310.423 2.714 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(F)(F)C1 ZINC000600155071 398976926 /nfs/dbraw/zinc/97/69/26/398976926.db2.gz BMWLHJDEORCVSR-QMMMGPOBSA-N 1 0 310.304 2.995 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162205586 398981870 /nfs/dbraw/zinc/98/18/70/398981870.db2.gz HKXDNLLMONUPOH-CHWSQXEVSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194719839 201277126 /nfs/dbraw/zinc/27/71/26/201277126.db2.gz XRFWWXOBNCMVFJ-VXGBXAGGSA-N 1 0 314.345 2.668 20 5 DFBDRO CC[C@@H]([NH2+]CC1(CC(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000281553180 216379620 /nfs/dbraw/zinc/37/96/20/216379620.db2.gz CFLXMLBEVQEUCL-CQSZACIVSA-N 1 0 306.362 2.979 20 5 DFBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000595592507 398989835 /nfs/dbraw/zinc/98/98/35/398989835.db2.gz FGPCJBOQVRMFOG-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CO)Cc1ccccc1 ZINC000595593861 398989847 /nfs/dbraw/zinc/98/98/47/398989847.db2.gz AQSHIORVRGMLMC-KRWDZBQOSA-N 1 0 300.358 2.630 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000194832905 201297024 /nfs/dbraw/zinc/29/70/24/201297024.db2.gz OMGVBZQBFKUSRS-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195308198 201377248 /nfs/dbraw/zinc/37/72/48/201377248.db2.gz PSXDAQXVFRJIGK-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595608348 398997383 /nfs/dbraw/zinc/99/73/83/398997383.db2.gz OAQRDQHBLURVBL-UONOGXRCSA-N 1 0 315.377 2.578 20 5 DFBDRO C[C@@]1(C2CC2)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000595616326 399002313 /nfs/dbraw/zinc/00/23/13/399002313.db2.gz AWRPJFHGIVTPOU-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417819156 296054581 /nfs/dbraw/zinc/05/45/81/296054581.db2.gz BJVHSARVWMJNJK-IACUBPJLSA-N 1 0 320.393 2.533 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417842046 296056919 /nfs/dbraw/zinc/05/69/19/296056919.db2.gz GLIXMRLHVPAGGT-HIFRSBDPSA-N 1 0 322.409 2.863 20 5 DFBDRO CC[C@H](NC(=O)NCC([NH3+])(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000417851659 296057964 /nfs/dbraw/zinc/05/79/64/296057964.db2.gz NJEZUVWEEJWSEN-AWEZNQCLSA-N 1 0 322.409 2.863 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000417857232 296058469 /nfs/dbraw/zinc/05/84/69/296058469.db2.gz UAMIBUPTOCTCEB-OCCSQVGLSA-N 1 0 322.409 2.637 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599552809 399012475 /nfs/dbraw/zinc/01/24/75/399012475.db2.gz JDCIPLBAZYLFFZ-CABCVRRESA-N 1 0 308.403 2.944 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000271810946 209235138 /nfs/dbraw/zinc/23/51/38/209235138.db2.gz ASOUEZDSCXQERB-IMJJTQAJSA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417981960 296069013 /nfs/dbraw/zinc/06/90/13/296069013.db2.gz MSYKVBAOTCZDKB-OBJOEFQTSA-N 1 0 320.393 2.567 20 5 DFBDRO CC1=CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000275422427 212324273 /nfs/dbraw/zinc/32/42/73/212324273.db2.gz AENOUKHZZDTVID-UHFFFAOYSA-N 1 0 307.325 2.715 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H](n3ccnc3)C1)CCN2 ZINC000618152576 399021859 /nfs/dbraw/zinc/02/18/59/399021859.db2.gz VJRKRBLSSULSSV-LBPRGKRZSA-N 1 0 313.361 2.601 20 5 DFBDRO C[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312332 399031567 /nfs/dbraw/zinc/03/15/67/399031567.db2.gz FGDOUHPHTYLOTH-UONOGXRCSA-N 1 0 319.405 2.546 20 5 DFBDRO CC[NH+]1CCC(N(C(=O)c2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000057370689 399035128 /nfs/dbraw/zinc/03/51/28/399035128.db2.gz NCYAWDGRSMGSFW-UHFFFAOYSA-N 1 0 317.389 2.684 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000599655385 399047158 /nfs/dbraw/zinc/04/71/58/399047158.db2.gz VZTFGOKGGHZOTO-FMKPAKJESA-N 1 0 318.373 2.758 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(O)(CC)CC ZINC000599673901 399057420 /nfs/dbraw/zinc/05/74/20/399057420.db2.gz VPJMQRGKYDZHQX-UHFFFAOYSA-N 1 0 310.394 2.976 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000600469371 399058357 /nfs/dbraw/zinc/05/83/57/399058357.db2.gz AIMOSKGLASYTPY-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470142 399058125 /nfs/dbraw/zinc/05/81/25/399058125.db2.gz GMCVRGWTYPSYMN-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c(Cl)c1 ZINC000595749117 399068676 /nfs/dbraw/zinc/06/86/76/399068676.db2.gz DYAQOHZPBARMJP-OAHLLOKOSA-N 1 0 310.781 2.985 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000595752521 399070851 /nfs/dbraw/zinc/07/08/51/399070851.db2.gz MHQBMNFKHVWILO-UHFFFAOYSA-N 1 0 306.362 2.642 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000595765543 399075087 /nfs/dbraw/zinc/07/50/87/399075087.db2.gz KKDZXHZQRKTPLO-CYBMUJFWSA-N 1 0 302.334 2.923 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595772789 399079400 /nfs/dbraw/zinc/07/94/00/399079400.db2.gz VDDOIHZUPWKXBM-IUODEOHRSA-N 1 0 308.378 2.727 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000294329816 284016834 /nfs/dbraw/zinc/01/68/34/284016834.db2.gz OXJAHOPXCLSXCR-PMPSAXMXSA-N 1 0 308.378 2.566 20 5 DFBDRO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863621 296122860 /nfs/dbraw/zinc/12/28/60/296122860.db2.gz BPJMVUWRPHLQNM-CYBMUJFWSA-N 1 0 306.410 2.704 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000595830191 399102833 /nfs/dbraw/zinc/10/28/33/399102833.db2.gz DLOKRRJMBBRUQG-KGLIPLIRSA-N 1 0 317.389 2.600 20 5 DFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000595858544 399114697 /nfs/dbraw/zinc/11/46/97/399114697.db2.gz XIJFJNOIDWJHTH-SFESLNEESA-N 1 0 317.389 2.821 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000060156615 399117936 /nfs/dbraw/zinc/11/79/36/399117936.db2.gz SKSATFATBWFOMB-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093443207 193252928 /nfs/dbraw/zinc/25/29/28/193252928.db2.gz CTGGQQRPRNZLJP-TXEJJXNPSA-N 1 0 306.362 2.844 20 5 DFBDRO COc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000093443209 193253033 /nfs/dbraw/zinc/25/30/33/193253033.db2.gz CTGGQQRPRNZLJP-RYUDHWBXSA-N 1 0 306.362 2.844 20 5 DFBDRO COc1ccc(OCC[N@H+](C)CC2=CCSC2)c([N+](=O)[O-])c1 ZINC000595889816 399123828 /nfs/dbraw/zinc/12/38/28/399123828.db2.gz XARKFIIFXWIIRB-UHFFFAOYSA-N 1 0 324.402 2.587 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000340296373 284170151 /nfs/dbraw/zinc/17/01/51/284170151.db2.gz VGAREIAZKOPULA-CYBMUJFWSA-N 1 0 321.421 2.719 20 5 DFBDRO O=[N+]([O-])c1ccccc1C=CC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000093646053 193283925 /nfs/dbraw/zinc/28/39/25/193283925.db2.gz FCMBFJSYTMJDPM-HWKANZROSA-N 1 0 313.361 2.606 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600727584 399126980 /nfs/dbraw/zinc/12/69/80/399126980.db2.gz XUMBQQBDIZMCIJ-WCQYABFASA-N 1 0 317.311 2.554 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([NH+](C)C)CC1 ZINC000094125574 193346780 /nfs/dbraw/zinc/34/67/80/193346780.db2.gz CJHLNQNKKQJDLN-UHFFFAOYSA-N 1 0 319.405 2.686 20 5 DFBDRO CCc1nn(C)c(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000094157924 193347392 /nfs/dbraw/zinc/34/73/92/193347392.db2.gz OTHHWNKZYGANSC-UHFFFAOYSA-N 1 0 323.441 2.959 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000060404242 399129264 /nfs/dbraw/zinc/12/92/64/399129264.db2.gz NYQDWEZDCGCRIA-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595906921 399130726 /nfs/dbraw/zinc/13/07/26/399130726.db2.gz CSCUNOXOEHSRJE-CABZTGNLSA-N 1 0 305.300 2.786 20 5 DFBDRO [NH3+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000420107934 296158532 /nfs/dbraw/zinc/15/85/32/296158532.db2.gz BMROENYWXOFSAX-CYBMUJFWSA-N 1 0 316.336 2.723 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C(F)(F)F ZINC000600746929 399133969 /nfs/dbraw/zinc/13/39/69/399133969.db2.gz YTBJFOXEPAHSTM-AAEUAGOBSA-N 1 0 317.311 2.696 20 5 DFBDRO C[NH2+]CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420178068 296160529 /nfs/dbraw/zinc/16/05/29/296160529.db2.gz AAWGXQAAIYLGFS-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000420156251 296159756 /nfs/dbraw/zinc/15/97/56/296159756.db2.gz FILJACJAPJULTB-UWVGGRQHSA-N 1 0 315.320 2.996 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CCC[NH2+]CC3)n2)cc1 ZINC000420158677 296159932 /nfs/dbraw/zinc/15/99/32/296159932.db2.gz HQVXIACKZBIZSL-UHFFFAOYSA-N 1 0 304.375 2.518 20 5 DFBDRO COc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C(C)C)cc1 ZINC000341010855 284229648 /nfs/dbraw/zinc/22/96/48/284229648.db2.gz IKXQCRXFMIJHJA-HNNXBMFYSA-N 1 0 318.377 2.824 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[C@H]1[NH3+] ZINC000420188751 296161231 /nfs/dbraw/zinc/16/12/31/296161231.db2.gz OSLCGEXGQRJWTJ-TZMCWYRMSA-N 1 0 312.373 2.830 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000420189831 296161381 /nfs/dbraw/zinc/16/13/81/296161381.db2.gz FBRHVCDAXJPFPF-BXUZGUMPSA-N 1 0 321.377 2.701 20 5 DFBDRO CC(=O)c1cc(N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000420189790 296161500 /nfs/dbraw/zinc/16/15/00/296161500.db2.gz DXGKLAMJZDNWSG-UHFFFAOYSA-N 1 0 317.389 2.766 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420210194 296162418 /nfs/dbraw/zinc/16/24/18/296162418.db2.gz NJNGSZGXAZRCBK-SNVBAGLBSA-N 1 0 303.366 2.751 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420202205 296162083 /nfs/dbraw/zinc/16/20/83/296162083.db2.gz IYUDUMVUOIVZNY-ZDUSSCGKSA-N 1 0 302.378 2.953 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420216579 296162911 /nfs/dbraw/zinc/16/29/11/296162911.db2.gz MGBIIPPEXLZIGJ-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1cc(NC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420229824 296164092 /nfs/dbraw/zinc/16/40/92/296164092.db2.gz OKPAQSJZCQMZIC-VIFPVBQESA-N 1 0 303.284 2.943 20 5 DFBDRO CCOC(=O)c1cc(NCC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC000420228541 296163804 /nfs/dbraw/zinc/16/38/04/296163804.db2.gz LPNBMHNXDMSQRW-UHFFFAOYSA-N 1 0 321.377 2.573 20 5 DFBDRO CO[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)[C@H](C)[NH3+] ZINC000600781167 399144525 /nfs/dbraw/zinc/14/45/25/399144525.db2.gz SYNRXMFUJXSNAB-APPDUMDISA-N 1 0 316.357 2.789 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000420233278 296164412 /nfs/dbraw/zinc/16/44/12/296164412.db2.gz WAJDXZVULIBPMN-SFHVURJKSA-N 1 0 324.384 2.847 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420233528 296164498 /nfs/dbraw/zinc/16/44/98/296164498.db2.gz GADGNTKXWVGJDG-DTWKUNHWSA-N 1 0 301.293 2.878 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420235423 296164541 /nfs/dbraw/zinc/16/45/41/296164541.db2.gz ZAUHRJYZWDFILN-INIZCTEOSA-N 1 0 321.377 2.573 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420231704 296164205 /nfs/dbraw/zinc/16/42/05/296164205.db2.gz KPDVKZPEFZHYRC-CQSZACIVSA-N 1 0 300.362 2.721 20 5 DFBDRO Cc1cc(N2CC[C@@](C)(C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420242905 296165144 /nfs/dbraw/zinc/16/51/44/296165144.db2.gz NMMZQBWCIMRMOT-INIZCTEOSA-N 1 0 300.362 2.627 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420253639 296165960 /nfs/dbraw/zinc/16/59/60/296165960.db2.gz QDAKQCSXVUWGKU-BXKDBHETSA-N 1 0 304.375 2.644 20 5 DFBDRO C[C@@H]1CCCN(c2c(Cl)cncc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000596014575 399147835 /nfs/dbraw/zinc/14/78/35/399147835.db2.gz QZOOBCZWMUXMQV-ZYHUDNBSSA-N 1 0 312.801 2.987 20 5 DFBDRO Cc1c(CN2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264594382 204016325 /nfs/dbraw/zinc/01/63/25/204016325.db2.gz MCQIXVJTKUHZKH-MRXNPFEDSA-N 1 0 303.406 2.963 20 5 DFBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264608804 204025737 /nfs/dbraw/zinc/02/57/37/204025737.db2.gz OZPMSZRNYSCCHA-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1Cc2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2C[NH2+]1 ZINC000600793114 399149482 /nfs/dbraw/zinc/14/94/82/399149482.db2.gz OVBNHDLIYIICRH-LBPRGKRZSA-N 1 0 312.369 2.831 20 5 DFBDRO COc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000420262271 296166801 /nfs/dbraw/zinc/16/68/01/296166801.db2.gz ALNZJQJPZTXAKX-NWDGAFQWSA-N 1 0 323.368 2.568 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000264645952 204050688 /nfs/dbraw/zinc/05/06/88/204050688.db2.gz AHAPXVRLYINDAF-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc(-c2cccc(C[C@@H](C[NH3+])CO)c2)cc1[N+](=O)[O-] ZINC000600792471 399148742 /nfs/dbraw/zinc/14/87/42/399148742.db2.gz YJRHBACVYBQKHH-AWEZNQCLSA-N 1 0 300.358 2.680 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1nc(C)ccc1[N+](=O)[O-] ZINC000420269699 296167607 /nfs/dbraw/zinc/16/76/07/296167607.db2.gz FXCKXWCJZRDLJW-AWEZNQCLSA-N 1 0 300.362 2.973 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000618547364 399154494 /nfs/dbraw/zinc/15/44/94/399154494.db2.gz DKNRCMLEJMGKCF-ZDUSSCGKSA-N 1 0 317.389 2.600 20 5 DFBDRO CCOc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420283087 296169106 /nfs/dbraw/zinc/16/91/06/296169106.db2.gz XEWSMKHDTGIHOU-ZIAGYGMSSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCOCCF)o1 ZINC000596056994 399157622 /nfs/dbraw/zinc/15/76/22/399157622.db2.gz DQDDBFKLUZBHJX-UHFFFAOYSA-N 1 0 308.309 2.931 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NC2CC[NH+](C3CC3)CC2)c1 ZINC000080542987 399156984 /nfs/dbraw/zinc/15/69/84/399156984.db2.gz QQKPWIWXUOWTMA-UHFFFAOYSA-N 1 0 309.341 2.781 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000080555654 399158196 /nfs/dbraw/zinc/15/81/96/399158196.db2.gz WBRBMSPPRKEIRV-ZIAGYGMSSA-N 1 0 307.394 2.814 20 5 DFBDRO O=[N+]([O-])c1cccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000596058933 399158461 /nfs/dbraw/zinc/15/84/61/399158461.db2.gz LWBPIFYZUMADEV-MRXNPFEDSA-N 1 0 303.406 2.806 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264945244 204293118 /nfs/dbraw/zinc/29/31/18/204293118.db2.gz IRDIFXUBSXMZRI-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000264947944 204294182 /nfs/dbraw/zinc/29/41/82/204294182.db2.gz ALULAHZIYIFDTJ-UHFFFAOYSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1occc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618567091 399161555 /nfs/dbraw/zinc/16/15/55/399161555.db2.gz UEOSBGFIZQCXSP-KBPBESRZSA-N 1 0 304.350 2.966 20 5 DFBDRO CNC(=O)CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000265083011 204385239 /nfs/dbraw/zinc/38/52/39/204385239.db2.gz JNDWIHQWJFJDIQ-UHFFFAOYSA-N 1 0 319.386 2.549 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000080648499 399165861 /nfs/dbraw/zinc/16/58/61/399165861.db2.gz FFZXVXAYTQYRLP-YSVLISHTSA-N 1 0 301.390 2.824 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271729397 209162672 /nfs/dbraw/zinc/16/26/72/209162672.db2.gz OSUAGLHMWSQKEM-DOMZBBRYSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596081693 399166994 /nfs/dbraw/zinc/16/69/94/399166994.db2.gz JDMNUFHCZRGMFG-UPJWGTAASA-N 1 0 320.393 2.537 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+](C)C ZINC000288244639 220039684 /nfs/dbraw/zinc/03/96/84/220039684.db2.gz XIMKQHPIZCRNHT-CQSZACIVSA-N 1 0 317.393 2.834 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596088107 399168823 /nfs/dbraw/zinc/16/88/23/399168823.db2.gz WQTQLBZKVCZQQD-UHFFFAOYSA-N 1 0 322.409 2.644 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000342002015 284305596 /nfs/dbraw/zinc/30/55/96/284305596.db2.gz PECUMYDAJHLBAQ-UHFFFAOYSA-N 1 0 319.405 2.932 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420370090 296181662 /nfs/dbraw/zinc/18/16/62/296181662.db2.gz YKDQNNZSDLTQOQ-HNNXBMFYSA-N 1 0 307.394 2.601 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCCC[C@@H]2CCO)c1 ZINC000342029600 284311102 /nfs/dbraw/zinc/31/11/02/284311102.db2.gz GWJGNMGTVFXRGP-CQSZACIVSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596105538 399175296 /nfs/dbraw/zinc/17/52/96/399175296.db2.gz UOVLDOOFNVZVQS-NSHDSACASA-N 1 0 308.382 2.618 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420385823 296184395 /nfs/dbraw/zinc/18/43/95/296184395.db2.gz FJCOYEZURBCUHY-XJKSGUPXSA-N 1 0 319.405 2.567 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000265797380 204880634 /nfs/dbraw/zinc/88/06/34/204880634.db2.gz JCYAFXHABBPFPX-AWEZNQCLSA-N 1 0 317.389 2.720 20 5 DFBDRO COc1cc(C[N@@H+]2CCOCC3(CCCC3)C2)ccc1[N+](=O)[O-] ZINC000614222912 399180073 /nfs/dbraw/zinc/18/00/73/399180073.db2.gz PVFUUYPFVOJKPC-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO Cc1cc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124051 399181648 /nfs/dbraw/zinc/18/16/48/399181648.db2.gz SWXCUDCTMYNHLH-LBPRGKRZSA-N 1 0 324.450 2.545 20 5 DFBDRO C[NH+](C)CCc1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596119144 399181137 /nfs/dbraw/zinc/18/11/37/399181137.db2.gz AHAMLFLPAGIVTO-UHFFFAOYSA-N 1 0 302.334 2.543 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342471741 284338764 /nfs/dbraw/zinc/33/87/64/284338764.db2.gz LBFFFOIPVNLTRM-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000600955976 399186569 /nfs/dbraw/zinc/18/65/69/399186569.db2.gz LMIZXULIAVJKID-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@H]1CCC[N@@H+]1CC ZINC000614236739 399184867 /nfs/dbraw/zinc/18/48/67/399184867.db2.gz LILPSTAQMKETQY-MRXNPFEDSA-N 1 0 321.421 2.910 20 5 DFBDRO C[N@H+](CCCn1ccnc1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271690782 209130160 /nfs/dbraw/zinc/13/01/60/209130160.db2.gz LUNHSQFSSVTUMN-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO [NH3+]CCCOCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000600955474 399186848 /nfs/dbraw/zinc/18/68/48/399186848.db2.gz NGPFIMOLSGCZJB-UHFFFAOYSA-N 1 0 308.165 2.679 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000600959483 399187348 /nfs/dbraw/zinc/18/73/48/399187348.db2.gz XXINGSJAWWGNGV-ZDUSSCGKSA-N 1 0 300.362 2.851 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000600958963 399187395 /nfs/dbraw/zinc/18/73/95/399187395.db2.gz NRSRCBHIQAHZMS-JTQLQIEISA-N 1 0 315.320 2.904 20 5 DFBDRO COc1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000266137531 205128683 /nfs/dbraw/zinc/12/86/83/205128683.db2.gz PUKDMLJEZHIXAD-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000266161431 205147979 /nfs/dbraw/zinc/14/79/79/205147979.db2.gz ZSOOVDWSQXTAMI-STQMWFEESA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@H](CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266188585 205168783 /nfs/dbraw/zinc/16/87/83/205168783.db2.gz XOQXHOZQQYSYOU-LLVKDONJSA-N 1 0 321.402 2.826 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000420630786 296193943 /nfs/dbraw/zinc/19/39/43/296193943.db2.gz FRNRFBDPWGEJTB-SECBINFHSA-N 1 0 318.299 2.539 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000016475236 182045782 /nfs/dbraw/zinc/04/57/82/182045782.db2.gz VCWYVGRVQLRZIY-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1NC[C@@]1([NH+](C)C)CCSC1 ZINC000288569135 220247387 /nfs/dbraw/zinc/24/73/87/220247387.db2.gz WSUGCWGXEHNYIA-HNNXBMFYSA-N 1 0 323.418 2.647 20 5 DFBDRO C[NH+](C)CCOCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342915082 284441096 /nfs/dbraw/zinc/44/10/96/284441096.db2.gz DGDCODYLAZPVKI-UHFFFAOYSA-N 1 0 322.192 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000601104800 399228076 /nfs/dbraw/zinc/22/80/76/399228076.db2.gz HELIQTWLBLNNLO-STQMWFEESA-N 1 0 312.373 2.604 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601109240 399229796 /nfs/dbraw/zinc/22/97/96/399229796.db2.gz SRPWWLWDHQSXAB-CYBMUJFWSA-N 1 0 314.389 2.707 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601109247 399229943 /nfs/dbraw/zinc/22/99/43/399229943.db2.gz SRPWWLWDHQSXAB-ZDUSSCGKSA-N 1 0 314.389 2.707 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601139685 399239624 /nfs/dbraw/zinc/23/96/24/399239624.db2.gz MFZPYWCJEFPIFK-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO Cc1cc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cs1 ZINC000601149647 399241446 /nfs/dbraw/zinc/24/14/46/399241446.db2.gz PFUFMQUERLPHIJ-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC4(C3)CCOCC4)nc2c1 ZINC000267579608 206156336 /nfs/dbraw/zinc/15/63/36/206156336.db2.gz GDUZJMCUGSQNPO-UHFFFAOYSA-N 1 0 317.345 2.739 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccnc4ccc([N+](=O)[O-])cc43)C2)C1 ZINC000601168090 399246219 /nfs/dbraw/zinc/24/62/19/399246219.db2.gz OKFAYMCPWYRDAU-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO CC[C@@H]1CN(CCOc2ccccc2[N+](=O)[O-])C[C@H](CC)O1 ZINC000420964881 296218542 /nfs/dbraw/zinc/21/85/42/296218542.db2.gz XKTJGBXCVQFSSZ-OKILXGFUSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[N@H+](CCOc1ccccc1C)CCn1ccc([N+](=O)[O-])n1 ZINC000420975493 296219896 /nfs/dbraw/zinc/21/98/96/296219896.db2.gz RCSWLYIIMCTNJV-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO C[N@@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1(C)C ZINC000601186620 399250599 /nfs/dbraw/zinc/25/05/99/399250599.db2.gz RXASJPZJHJYMRW-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)CC23CCC3)ccc1[N+](=O)[O-] ZINC000420991306 296221622 /nfs/dbraw/zinc/22/16/22/296221622.db2.gz IPBFKZPIKVIQDB-AWEZNQCLSA-N 1 0 320.389 2.873 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc4ccc([N+](=O)[O-])cc43)C[C@@H]2C1 ZINC000601185202 399250686 /nfs/dbraw/zinc/25/06/86/399250686.db2.gz RALLLDHQQIHACI-KGLIPLIRSA-N 1 0 312.373 2.531 20 5 DFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295942781 284492319 /nfs/dbraw/zinc/49/23/19/284492319.db2.gz GMDGBKWNPVDRCY-OLZOCXBDSA-N 1 0 307.394 2.892 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1NCC1CC[NH+](CC2CC2)CC1 ZINC000601199661 399253355 /nfs/dbraw/zinc/25/33/55/399253355.db2.gz YDJPBFUDEBEMIH-UHFFFAOYSA-N 1 0 308.357 2.663 20 5 DFBDRO Cc1cc(N2CCC(C)([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000601216411 399256894 /nfs/dbraw/zinc/25/68/94/399256894.db2.gz RAZLBUCCIIRYTO-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000601229621 399259709 /nfs/dbraw/zinc/25/97/09/399259709.db2.gz VPMHYMDHKSQNDV-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421093823 296234728 /nfs/dbraw/zinc/23/47/28/296234728.db2.gz JIIFXHYJCPRLRU-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421093826 296234816 /nfs/dbraw/zinc/23/48/16/296234816.db2.gz JIIFXHYJCPRLRU-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267846586 206302643 /nfs/dbraw/zinc/30/26/43/206302643.db2.gz MPRDJVOHJKHDRT-QWHCGFSZSA-N 1 0 322.409 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H](O)C(F)F)CCC2 ZINC000601299359 399272679 /nfs/dbraw/zinc/27/26/79/399272679.db2.gz PUIDMUSGSJICRS-CHWSQXEVSA-N 1 0 300.305 2.578 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CC[C@@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000601298228 399272768 /nfs/dbraw/zinc/27/27/68/399272768.db2.gz FJRRFKJFUDXTMD-QWHCGFSZSA-N 1 0 314.332 2.923 20 5 DFBDRO CS[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000614822455 399272473 /nfs/dbraw/zinc/27/24/73/399272473.db2.gz NQGCAJLMHGIZIZ-NEPJUHHUSA-N 1 0 313.448 2.672 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H](O)C(F)F)CCCC2 ZINC000601298484 399272637 /nfs/dbraw/zinc/27/26/37/399272637.db2.gz ISYMBLKCFUZXLM-KGLIPLIRSA-N 1 0 314.332 2.968 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000601304146 399274267 /nfs/dbraw/zinc/27/42/67/399274267.db2.gz KUENEFIPKNAOFN-DYWXZXKOSA-N 1 0 304.390 2.809 20 5 DFBDRO Cc1c(CN2CCOc3ccc(C[NH3+])cc32)cccc1[N+](=O)[O-] ZINC000601324900 399277880 /nfs/dbraw/zinc/27/78/80/399277880.db2.gz PVNOTLGMTNNFIQ-UHFFFAOYSA-N 1 0 313.357 2.761 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000601335371 399278535 /nfs/dbraw/zinc/27/85/35/399278535.db2.gz STVJGHQTIHECAM-RISCZKNCSA-N 1 0 309.797 2.822 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC1(O)CCC1 ZINC000421371396 296249701 /nfs/dbraw/zinc/24/97/01/296249701.db2.gz JSOWARYBZYYASM-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO CON1CCC([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000421391274 296251833 /nfs/dbraw/zinc/25/18/33/296251833.db2.gz AFPXSEMNQCBICH-RAXLEYEMSA-N 1 0 305.378 2.614 20 5 DFBDRO C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000037988041 182954974 /nfs/dbraw/zinc/95/49/74/182954974.db2.gz YBUCBFDLGWIUMU-QMMMGPOBSA-N 1 0 302.172 2.719 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccc(C)o2)c([N+](=O)[O-])cc1O ZINC000608781963 399295174 /nfs/dbraw/zinc/29/51/74/399295174.db2.gz OLOGQHZNGDJWIH-UHFFFAOYSA-N 1 0 306.318 2.543 20 5 DFBDRO Cc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc([N+](=O)[O-])c1 ZINC000608900547 399300633 /nfs/dbraw/zinc/30/06/33/399300633.db2.gz NVRYZKOYBBNLLD-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[N@@H+]1C ZINC000601586189 399304408 /nfs/dbraw/zinc/30/44/08/399304408.db2.gz KIHGKLSLZDULRI-QWHCGFSZSA-N 1 0 305.378 2.880 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000609278988 399311447 /nfs/dbraw/zinc/31/14/47/399311447.db2.gz WKHPSPCXRGRZRL-JKSUJKDBSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc(C)n(CCC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000284021338 217851203 /nfs/dbraw/zinc/85/12/03/217851203.db2.gz IUPCYVNTUVIJCG-ZDUSSCGKSA-N 1 0 317.393 2.731 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000609843760 399333118 /nfs/dbraw/zinc/33/31/18/399333118.db2.gz VHOSRNXCFZGRAG-LBPRGKRZSA-N 1 0 320.393 2.755 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000344918944 284706962 /nfs/dbraw/zinc/70/69/62/284706962.db2.gz YAMFHJDIRGOBJD-QMPFAZFSSA-N 1 0 317.389 2.632 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000421896173 296279314 /nfs/dbraw/zinc/27/93/14/296279314.db2.gz PGRGNAUIOFXHNB-MRXNPFEDSA-N 1 0 319.405 2.624 20 5 DFBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000619430981 399344518 /nfs/dbraw/zinc/34/45/18/399344518.db2.gz ZSBFCRQIRIEBAN-PWSUYJOCSA-N 1 0 304.350 2.518 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000345596717 284734087 /nfs/dbraw/zinc/73/40/87/284734087.db2.gz JAXYJXIOSDPTSW-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000610252140 399350840 /nfs/dbraw/zinc/35/08/40/399350840.db2.gz OZMHSTXIILBAMP-HOTGVXAUSA-N 1 0 319.405 2.640 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284757444 218165043 /nfs/dbraw/zinc/16/50/43/218165043.db2.gz LXGQQXYSFFOONC-CJNGLKHVSA-N 1 0 306.362 2.747 20 5 DFBDRO COc1ccc(C[NH+]2CCC3(CCOCC3)CC2)cc1[N+](=O)[O-] ZINC000284802354 218183468 /nfs/dbraw/zinc/18/34/68/218183468.db2.gz POZBNBUQHKHZPM-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)c1 ZINC000284869878 218214297 /nfs/dbraw/zinc/21/42/97/218214297.db2.gz SLRLUSZLPMXLNA-HOTGVXAUSA-N 1 0 306.362 2.617 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000610456128 399369536 /nfs/dbraw/zinc/36/95/36/399369536.db2.gz PLPYJGZZLDNNRR-OAHLLOKOSA-N 1 0 319.405 2.760 20 5 DFBDRO CCC(C)(C)CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000601969067 399371287 /nfs/dbraw/zinc/37/12/87/399371287.db2.gz SKRGCIKOHBNQRE-ZDUSSCGKSA-N 1 0 310.394 2.750 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CC(C)(C)C ZINC000610476409 399370566 /nfs/dbraw/zinc/37/05/66/399370566.db2.gz PYYYLYYJCSGECH-UHFFFAOYSA-N 1 0 310.394 2.834 20 5 DFBDRO CCC(C)(C)CC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000601969066 399371413 /nfs/dbraw/zinc/37/14/13/399371413.db2.gz SKRGCIKOHBNQRE-CYBMUJFWSA-N 1 0 310.394 2.750 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@H]1CCOC1 ZINC000615724134 399377570 /nfs/dbraw/zinc/37/75/70/399377570.db2.gz NDGLQHHPYGIYKK-IDJPSDCMSA-N 1 0 320.389 2.641 20 5 DFBDRO C[C@@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582604 399382457 /nfs/dbraw/zinc/38/24/57/399382457.db2.gz CSWGZLXXUPYRPL-VXGBXAGGSA-N 1 0 318.377 2.651 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000610586945 399383889 /nfs/dbraw/zinc/38/38/89/399383889.db2.gz CBZMQLXIRQFPDH-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000610585365 399384053 /nfs/dbraw/zinc/38/40/53/399384053.db2.gz MGNZEPODWQQQIC-DOMZBBRYSA-N 1 0 303.362 2.716 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1 ZINC000285192039 218327554 /nfs/dbraw/zinc/32/75/54/218327554.db2.gz CKEWBEDXXHYXTN-KRWDZBQOSA-N 1 0 300.358 2.803 20 5 DFBDRO CC(=O)NC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000615836105 399387576 /nfs/dbraw/zinc/38/75/76/399387576.db2.gz SFJOLKSWRZXPKC-RAXLEYEMSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619782631 399391666 /nfs/dbraw/zinc/39/16/66/399391666.db2.gz GZIFIOJZCNSWJK-LLVKDONJSA-N 1 0 319.386 2.970 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619782588 399391766 /nfs/dbraw/zinc/39/17/66/399391766.db2.gz FJNDWCCZKBUOJC-BXUZGUMPSA-N 1 0 322.386 2.747 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000610678627 399392094 /nfs/dbraw/zinc/39/20/94/399392094.db2.gz XPTWXEGLPRROKV-BXUZGUMPSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCN2CCSCC2)cccc1[N+](=O)[O-] ZINC000268843489 207011245 /nfs/dbraw/zinc/01/12/45/207011245.db2.gz ATPPQNJBFQIOBM-ZDUSSCGKSA-N 1 0 309.435 2.603 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000110437427 194329900 /nfs/dbraw/zinc/32/99/00/194329900.db2.gz AKAQORYDGWCNEQ-UHFFFAOYSA-N 1 0 319.405 2.981 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000619868436 399396800 /nfs/dbraw/zinc/39/68/00/399396800.db2.gz RAQUQUOKWJSTHE-UHFFFAOYSA-N 1 0 323.418 2.604 20 5 DFBDRO CN(CCc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)CC(C)(C)C ZINC000602151947 399401341 /nfs/dbraw/zinc/40/13/41/399401341.db2.gz SUYUZWOVXSJJFW-UHFFFAOYSA-N 1 0 321.421 2.574 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000602161779 399402897 /nfs/dbraw/zinc/40/28/97/399402897.db2.gz UPEZBRFUZQHMKB-UHFFFAOYSA-N 1 0 320.393 2.695 20 5 DFBDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268916001 207083117 /nfs/dbraw/zinc/08/31/17/207083117.db2.gz NTSPNDSDOFETFP-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602175122 399405004 /nfs/dbraw/zinc/40/50/04/399405004.db2.gz VWOZOQZXYROZIV-TUKIKUTGSA-N 1 0 319.405 2.543 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000610782730 399405920 /nfs/dbraw/zinc/40/59/20/399405920.db2.gz RPDIDJVFPGZQLK-UHFFFAOYSA-N 1 0 308.769 2.885 20 5 DFBDRO C[NH+](C)CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000056358307 184011578 /nfs/dbraw/zinc/01/15/78/184011578.db2.gz MUMQBRKKIZLQEX-UHFFFAOYSA-N 1 0 320.393 2.790 20 5 DFBDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)[nH]n1 ZINC000610821160 399409532 /nfs/dbraw/zinc/40/95/32/399409532.db2.gz QNQOXNAUQCTXME-HNNXBMFYSA-N 1 0 300.362 2.737 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000268956195 207121283 /nfs/dbraw/zinc/12/12/83/207121283.db2.gz UOAXJOBKVGJWOE-CQSZACIVSA-N 1 0 300.362 2.538 20 5 DFBDRO CC(C)(C)n1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000058093536 184074673 /nfs/dbraw/zinc/07/46/73/184074673.db2.gz LXUYEBVYUQDUIM-UHFFFAOYSA-N 1 0 302.378 2.879 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269014056 207165033 /nfs/dbraw/zinc/16/50/33/207165033.db2.gz XYVDGVNBDWBOHW-BBRMVZONSA-N 1 0 323.462 2.991 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C ZINC000611084702 399433082 /nfs/dbraw/zinc/43/30/82/399433082.db2.gz LGTHCEQAFKKHDF-SNVBAGLBSA-N 1 0 315.320 2.727 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611165713 399440500 /nfs/dbraw/zinc/44/05/00/399440500.db2.gz CMSFZPZDCPVAHN-CQSZACIVSA-N 1 0 305.378 2.568 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000611225389 399447423 /nfs/dbraw/zinc/44/74/23/399447423.db2.gz PHZHJUFPTOTZPH-NEPJUHHUSA-N 1 0 318.377 2.651 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000602466872 399452503 /nfs/dbraw/zinc/45/25/03/399452503.db2.gz PLTMPLKMXIXATL-TZMCWYRMSA-N 1 0 307.394 2.844 20 5 DFBDRO CC(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285851 399458435 /nfs/dbraw/zinc/45/84/35/399458435.db2.gz DABQOSTZXVXFSZ-GFCCVEGCSA-N 1 0 306.362 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000602502200 399461946 /nfs/dbraw/zinc/46/19/46/399461946.db2.gz JNEFNCQKMWRNCN-UHFFFAOYSA-N 1 0 314.341 2.698 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCOC1 ZINC000602508295 399463276 /nfs/dbraw/zinc/46/32/76/399463276.db2.gz AXRJMJLCYSFGFL-SECBINFHSA-N 1 0 304.268 2.740 20 5 DFBDRO CCC(CC)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511105 399465047 /nfs/dbraw/zinc/46/50/47/399465047.db2.gz MVTZWMRCXVAYCT-UHFFFAOYSA-N 1 0 306.410 2.984 20 5 DFBDRO CC[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602513379 399465088 /nfs/dbraw/zinc/46/50/88/399465088.db2.gz WTUBWOMSCQYPRM-LBPRGKRZSA-N 1 0 306.284 2.864 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)n1cncn1 ZINC000602517044 399466620 /nfs/dbraw/zinc/46/66/20/399466620.db2.gz ANLGHUHYCSFFCM-NWDGAFQWSA-N 1 0 303.366 2.661 20 5 DFBDRO COC[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602527970 399468898 /nfs/dbraw/zinc/46/88/98/399468898.db2.gz KYPIHOOIXZYBEX-SSDOTTSWSA-N 1 0 323.212 2.791 20 5 DFBDRO COCC[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602525635 399467753 /nfs/dbraw/zinc/46/77/53/399467753.db2.gz GXJPJXIHIXZSLS-ZETCQYMHSA-N 1 0 323.212 2.933 20 5 DFBDRO CC[C@H](COC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602552386 399474068 /nfs/dbraw/zinc/47/40/68/399474068.db2.gz VENWAFHRYFAIKM-SSDOTTSWSA-N 1 0 323.212 2.933 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2sccc2[N+](=O)[O-])C1 ZINC000611412834 399473290 /nfs/dbraw/zinc/47/32/90/399473290.db2.gz MBFSGWXPVJZEML-LBPRGKRZSA-N 1 0 313.423 2.593 20 5 DFBDRO COc1cc(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602554833 399474473 /nfs/dbraw/zinc/47/44/73/399474473.db2.gz YQKSNJVHQZRTED-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO COc1cc(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602554831 399474667 /nfs/dbraw/zinc/47/46/67/399474667.db2.gz YQKSNJVHQZRTED-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602551802 399474109 /nfs/dbraw/zinc/47/41/09/399474109.db2.gz FWMHPNAQUYSMAM-DGCLKSJQSA-N 1 0 305.378 2.589 20 5 DFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000611433762 399476310 /nfs/dbraw/zinc/47/63/10/399476310.db2.gz QLQUGMLKDNZNCW-HNNXBMFYSA-N 1 0 307.394 2.705 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000611442812 399476786 /nfs/dbraw/zinc/47/67/86/399476786.db2.gz FRNUUMAFWBSGCC-SECBINFHSA-N 1 0 310.304 2.729 20 5 DFBDRO CCC[N@H+](CC)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562512 399476872 /nfs/dbraw/zinc/47/68/72/399476872.db2.gz CFLRDEANKNTOJD-UHFFFAOYSA-N 1 0 306.366 2.558 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@H]1CCC[C@H]1O ZINC000602560911 399475665 /nfs/dbraw/zinc/47/56/65/399475665.db2.gz OEYYSJMWNATDOX-ZWNOBZJWSA-N 1 0 318.295 2.864 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC(F)(F)F)CC2)cn1 ZINC000602561235 399475718 /nfs/dbraw/zinc/47/57/18/399475718.db2.gz NRZRNDOKRPXUJD-UHFFFAOYSA-N 1 0 318.299 2.501 20 5 DFBDRO CO[C@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000602561041 399476074 /nfs/dbraw/zinc/47/60/74/399476074.db2.gz PWKIRYNAMHCBOU-NVXWUHKLSA-N 1 0 322.405 2.559 20 5 DFBDRO C[NH+](C)CCc1ccc(NC(=O)CCC(C)(C)[N+](=O)[O-])cc1 ZINC000294508297 224061372 /nfs/dbraw/zinc/06/13/72/224061372.db2.gz HKCFLIWKGSVTBC-UHFFFAOYSA-N 1 0 307.394 2.565 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000602580093 399481811 /nfs/dbraw/zinc/48/18/11/399481811.db2.gz MTSXMNHOWIZPEG-SNVBAGLBSA-N 1 0 311.769 2.592 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502303 399483397 /nfs/dbraw/zinc/48/33/97/399483397.db2.gz RAXUMVOURRWGIO-YPMHNXCESA-N 1 0 323.368 2.912 20 5 DFBDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602604128 399487726 /nfs/dbraw/zinc/48/77/26/399487726.db2.gz WYYNNITXLJKWAX-RNFRBKRXSA-N 1 0 323.212 2.668 20 5 DFBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1(O)CCC1 ZINC000602613810 399490839 /nfs/dbraw/zinc/49/08/39/399490839.db2.gz QFHGBUQFWOQCQK-UHFFFAOYSA-N 1 0 318.295 2.960 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000611564123 399492107 /nfs/dbraw/zinc/49/21/07/399492107.db2.gz KPOOVSXHNXMMGZ-UHFFFAOYSA-N 1 0 318.352 2.903 20 5 DFBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602626059 399495189 /nfs/dbraw/zinc/49/51/89/399495189.db2.gz XLODZWNNZLMDOJ-CYBMUJFWSA-N 1 0 318.295 2.960 20 5 DFBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602636463 399498628 /nfs/dbraw/zinc/49/86/28/399498628.db2.gz HNIBMIQZXPKRBS-CYBMUJFWSA-N 1 0 302.378 2.700 20 5 DFBDRO Cc1ccc([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c(C)c1 ZINC000602646503 399501494 /nfs/dbraw/zinc/50/14/94/399501494.db2.gz ADODAJUIQBXZBT-AWEZNQCLSA-N 1 0 314.389 2.935 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1 ZINC000611615763 399499145 /nfs/dbraw/zinc/49/91/45/399499145.db2.gz ZZLVCXKYSCLSAC-KBPBESRZSA-N 1 0 322.409 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3[C@@H]3CCCO3)nc2c1 ZINC000602653162 399504226 /nfs/dbraw/zinc/50/42/26/399504226.db2.gz NALIWGLFRRIEQZ-HIFRSBDPSA-N 1 0 317.345 2.879 20 5 DFBDRO COc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000292846727 532959307 /nfs/dbraw/zinc/95/93/07/532959307.db2.gz QYQRRQAXAPLQSK-MRXNPFEDSA-N 1 0 323.368 2.665 20 5 DFBDRO COc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)cc1[N+](=O)[O-] ZINC000292846726 532959437 /nfs/dbraw/zinc/95/94/37/532959437.db2.gz QYQRRQAXAPLQSK-INIZCTEOSA-N 1 0 323.368 2.665 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000422821161 296339365 /nfs/dbraw/zinc/33/93/65/296339365.db2.gz URALGQONROICAQ-TXEJJXNPSA-N 1 0 305.378 2.541 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347017333 285005161 /nfs/dbraw/zinc/00/51/61/285005161.db2.gz DJYPIHWGYADTBM-QWHCGFSZSA-N 1 0 307.394 2.553 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000422858336 296345813 /nfs/dbraw/zinc/34/58/13/296345813.db2.gz ZUPWSRGRYDTEBP-GXTWGEPZSA-N 1 0 319.405 2.918 20 5 DFBDRO C[C@](CO)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269674871 207747075 /nfs/dbraw/zinc/74/70/75/207747075.db2.gz VVPFDFLRQSJPJF-DLBZAZTESA-N 1 0 322.405 2.549 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422906160 296354132 /nfs/dbraw/zinc/35/41/32/296354132.db2.gz UFYLONYOUKRPHX-ZDUSSCGKSA-N 1 0 307.394 2.966 20 5 DFBDRO Cc1ncsc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602677251 399516703 /nfs/dbraw/zinc/51/67/03/399516703.db2.gz WPUQLFWJZAINLR-UHFFFAOYSA-N 1 0 318.358 2.833 20 5 DFBDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000119957115 195068914 /nfs/dbraw/zinc/06/89/14/195068914.db2.gz METBXPYQLQSEFP-ZNMIVQPWSA-N 1 0 321.421 2.745 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2ccnn2)CC1 ZINC000269960547 208011871 /nfs/dbraw/zinc/01/18/71/208011871.db2.gz KVJUYFOHADSZPB-CYBMUJFWSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696446 399525658 /nfs/dbraw/zinc/52/56/58/399525658.db2.gz QPXHDBATMUSFAL-KLPPZKSPSA-N 1 0 304.268 2.617 20 5 DFBDRO CC[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)CO1 ZINC000602701252 399527994 /nfs/dbraw/zinc/52/79/94/399527994.db2.gz XYQQBMDKOJIPPK-PWSUYJOCSA-N 1 0 305.334 2.735 20 5 DFBDRO C[C@@H](O)C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602708449 399531794 /nfs/dbraw/zinc/53/17/94/399531794.db2.gz HHFOOVGUBHUHGK-SECBINFHSA-N 1 0 318.295 2.959 20 5 DFBDRO COc1cc([C@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568057 285081238 /nfs/dbraw/zinc/08/12/38/285081238.db2.gz XXAPLKWAAPODBJ-LBPRGKRZSA-N 1 0 317.345 2.728 20 5 DFBDRO CC[C@@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602711602 399533709 /nfs/dbraw/zinc/53/37/09/399533709.db2.gz RSLAIGZLWZBHLL-CYBMUJFWSA-N 1 0 306.410 2.984 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000602715312 399535352 /nfs/dbraw/zinc/53/53/52/399535352.db2.gz ZZILZJNRKSMJLK-NSHDSACASA-N 1 0 305.334 2.702 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301368070 285096657 /nfs/dbraw/zinc/09/66/57/285096657.db2.gz RRNKQGQAMLWMNM-IACUBPJLSA-N 1 0 305.353 2.654 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000347628125 285100950 /nfs/dbraw/zinc/10/09/50/285100950.db2.gz HQGWYBPWWOTOAT-UKRRQHHQSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000423043957 296371344 /nfs/dbraw/zinc/37/13/44/296371344.db2.gz QFKBXRKRYDNOBZ-BXUZGUMPSA-N 1 0 311.813 2.911 20 5 DFBDRO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000423043958 296371379 /nfs/dbraw/zinc/37/13/79/296371379.db2.gz QFKBXRKRYDNOBZ-FZMZJTMJSA-N 1 0 311.813 2.911 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602739179 399550153 /nfs/dbraw/zinc/55/01/53/399550153.db2.gz WPEBBSIBUAVMQE-WCQYABFASA-N 1 0 318.295 2.506 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091506 296376999 /nfs/dbraw/zinc/37/69/99/296376999.db2.gz XIPIAJXIZVXQQA-ZANVPECISA-N 1 0 317.311 2.701 20 5 DFBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423082950 296376390 /nfs/dbraw/zinc/37/63/90/296376390.db2.gz FWYNJBLQHRNKDP-MWLCHTKSSA-N 1 0 317.311 2.701 20 5 DFBDRO CC[NH+](CC)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000347685112 285130082 /nfs/dbraw/zinc/13/00/82/285130082.db2.gz OXSLHENQCTUDGX-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000602767611 399564141 /nfs/dbraw/zinc/56/41/41/399564141.db2.gz VCIUCKGLXNIWHJ-UHFFFAOYSA-N 1 0 318.352 2.903 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCN1CCSCC1)CCC2 ZINC000278889826 285144432 /nfs/dbraw/zinc/14/44/32/285144432.db2.gz YLMSJCQWNWXGIP-MRXNPFEDSA-N 1 0 321.446 2.611 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000158291167 197259787 /nfs/dbraw/zinc/25/97/87/197259787.db2.gz IBLBTPLSPQWJEU-ZDUSSCGKSA-N 1 0 302.378 2.920 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000602777566 399569281 /nfs/dbraw/zinc/56/92/81/399569281.db2.gz XAFOSBBEYIIPDO-GFCCVEGCSA-N 1 0 300.362 2.719 20 5 DFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000602779799 399570214 /nfs/dbraw/zinc/57/02/14/399570214.db2.gz RJGGDZWCCSAIMI-LBPRGKRZSA-N 1 0 318.377 2.888 20 5 DFBDRO CC(C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000423169545 296387680 /nfs/dbraw/zinc/38/76/80/296387680.db2.gz WJBWKMIBRIUYKF-CJNGLKHVSA-N 1 0 321.421 2.653 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000602783440 399571666 /nfs/dbraw/zinc/57/16/66/399571666.db2.gz PGMHBRZJUUKGCJ-OAHLLOKOSA-N 1 0 322.409 2.523 20 5 DFBDRO CCSCC[C@@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794308 399577291 /nfs/dbraw/zinc/57/72/91/399577291.db2.gz VIGCIDTWBJQBPR-LLVKDONJSA-N 1 0 300.428 2.563 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000267046712 285167955 /nfs/dbraw/zinc/16/79/55/285167955.db2.gz FHNFUSWTAASAMO-CYBMUJFWSA-N 1 0 320.780 2.934 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCCCC3)C2)s1 ZINC000374415986 285173884 /nfs/dbraw/zinc/17/38/84/285173884.db2.gz PHWIWRDLWYZYEQ-LBPRGKRZSA-N 1 0 310.423 2.896 20 5 DFBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000347787059 285174225 /nfs/dbraw/zinc/17/42/25/285174225.db2.gz GRMAGCFQPAODOE-AWEZNQCLSA-N 1 0 320.368 2.824 20 5 DFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000157397635 197184845 /nfs/dbraw/zinc/18/48/45/197184845.db2.gz GZLRZKDEVZSQJF-INIZCTEOSA-N 1 0 316.361 2.637 20 5 DFBDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602803675 399580805 /nfs/dbraw/zinc/58/08/05/399580805.db2.gz ZTMNRRRUSJZAKH-JTQLQIEISA-N 1 0 322.340 2.598 20 5 DFBDRO CCOc1cccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602803638 399580952 /nfs/dbraw/zinc/58/09/52/399580952.db2.gz ZKHILVWHHDTIHI-LBPRGKRZSA-N 1 0 318.377 2.849 20 5 DFBDRO Cc1csc([C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)n1 ZINC000602807229 399583991 /nfs/dbraw/zinc/58/39/91/399583991.db2.gz WIYZGTGZNPSWIC-ZDUSSCGKSA-N 1 0 321.406 2.606 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220057 296393731 /nfs/dbraw/zinc/39/37/31/296393731.db2.gz XVFXAKZJYDYSFF-OLZOCXBDSA-N 1 0 307.394 2.644 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000192503282 285177248 /nfs/dbraw/zinc/17/72/48/285177248.db2.gz PYMZOWYOQREYMF-PWSUYJOCSA-N 1 0 308.407 2.504 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423269354 296398912 /nfs/dbraw/zinc/39/89/12/296398912.db2.gz FNOYMNZKXWLBJY-TYNCELHUSA-N 1 0 307.394 2.700 20 5 DFBDRO CCCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1OC ZINC000602841031 399597751 /nfs/dbraw/zinc/59/77/51/399597751.db2.gz PREIREASNVBTRN-HUUCEWRRSA-N 1 0 324.425 2.888 20 5 DFBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347905088 285235547 /nfs/dbraw/zinc/23/55/47/285235547.db2.gz YYZZHDGNCYPXBR-LBPRGKRZSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1ccc(C[NH2+]C2(C(=O)N(C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000294716734 224189158 /nfs/dbraw/zinc/18/91/58/224189158.db2.gz CHBWJRVXALXHEC-UHFFFAOYSA-N 1 0 319.405 2.784 20 5 DFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000602873582 399611382 /nfs/dbraw/zinc/61/13/82/399611382.db2.gz PWLCARLJFJPHHP-VIFPVBQESA-N 1 0 302.325 2.632 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890951 399617551 /nfs/dbraw/zinc/61/75/51/399617551.db2.gz DPBFNVNCKXIWJH-CQSZACIVSA-N 1 0 319.340 2.553 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612529 209059762 /nfs/dbraw/zinc/05/97/62/209059762.db2.gz CRDQOCGKPOOYJA-QWHCGFSZSA-N 1 0 322.409 2.685 20 5 DFBDRO COc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271614774 209062459 /nfs/dbraw/zinc/06/24/59/209062459.db2.gz CCWODNMDNUKNNP-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423630926 296435302 /nfs/dbraw/zinc/43/53/02/296435302.db2.gz FRBIPTXLCYMAFO-XHBSWPGZSA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1ccncc1CCCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289675999 221146736 /nfs/dbraw/zinc/14/67/36/221146736.db2.gz DRVNJKFSYQWDRA-UHFFFAOYSA-N 1 0 314.389 2.696 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000289699573 221165020 /nfs/dbraw/zinc/16/50/20/221165020.db2.gz GBHYEEAQMPSCDB-RHSMWYFYSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000289699578 221165178 /nfs/dbraw/zinc/16/51/78/221165178.db2.gz GBHYEEAQMPSCDB-YOEHRIQHSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000289743071 221195954 /nfs/dbraw/zinc/19/59/54/221195954.db2.gz KSRVCRYYBZPUEP-AWEZNQCLSA-N 1 0 318.402 2.964 20 5 DFBDRO CCOc1cc(C[NH2+]C2(CO)CCCCC2)ccc1[N+](=O)[O-] ZINC000617214873 399631114 /nfs/dbraw/zinc/63/11/14/399631114.db2.gz HDRJUTMZVFONRT-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997772 399654680 /nfs/dbraw/zinc/65/46/80/399654680.db2.gz QMPQIPJJCSCKMO-PMPSAXMXSA-N 1 0 320.389 2.729 20 5 DFBDRO CC[C@@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000602982236 399649029 /nfs/dbraw/zinc/64/90/29/399649029.db2.gz PJUGQBJYWFGCLA-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612615656 399690633 /nfs/dbraw/zinc/69/06/33/399690633.db2.gz BUASIBCUMSNEEI-UHFFFAOYSA-N 1 0 312.345 2.539 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603251944 399723538 /nfs/dbraw/zinc/72/35/38/399723538.db2.gz QLTHWBRJAFURDD-LBPRGKRZSA-N 1 0 315.377 2.571 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423938111 296468283 /nfs/dbraw/zinc/46/82/83/296468283.db2.gz HRFOPUKUZKINEZ-AWEZNQCLSA-N 1 0 319.405 2.767 20 5 DFBDRO CN(CCCC[NH+]1CCCCC1)c1ncc(F)cc1[N+](=O)[O-] ZINC000603421663 399772200 /nfs/dbraw/zinc/77/22/00/399772200.db2.gz AJJBFDXEEJBEBJ-UHFFFAOYSA-N 1 0 310.373 2.831 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407975 399768124 /nfs/dbraw/zinc/76/81/24/399768124.db2.gz JZZGYXZPKMXFCN-UHFFFAOYSA-N 1 0 323.368 2.789 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC(F)(F)F ZINC000603427538 399773932 /nfs/dbraw/zinc/77/39/32/399773932.db2.gz MZVQZKOVGLFGMA-SBKJXLNCSA-N 1 0 318.295 2.901 20 5 DFBDRO CCOc1cccc(N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000613044646 399783822 /nfs/dbraw/zinc/78/38/22/399783822.db2.gz OVRIKFZNTKVYES-CYBMUJFWSA-N 1 0 307.394 2.960 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000366627100 131021854 /nfs/dbraw/zinc/02/18/54/131021854.db2.gz LTQPVERTKILZKN-AWEZNQCLSA-N 1 0 320.389 2.852 20 5 DFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000424038723 296478924 /nfs/dbraw/zinc/47/89/24/296478924.db2.gz ITHOHUIKCOUVKC-CYBMUJFWSA-N 1 0 323.418 2.507 20 5 DFBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCc2sccc2C1 ZINC000603848852 399808280 /nfs/dbraw/zinc/80/82/80/399808280.db2.gz UWHHHJGNNKCBNO-LLVKDONJSA-N 1 0 318.402 2.910 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000424317994 296501914 /nfs/dbraw/zinc/50/19/14/296501914.db2.gz OTXRXSDLXWCVOL-PEYYIBSZSA-N 1 0 316.361 2.509 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000295088246 543030015 /nfs/dbraw/zinc/03/00/15/543030015.db2.gz IZYCAJPFKLOKPQ-INIZCTEOSA-N 1 0 318.348 2.736 20 5 DFBDRO O=[N+]([O-])c1ncccc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309782911 543065705 /nfs/dbraw/zinc/06/57/05/543065705.db2.gz FLABIDBVDPKGPP-OAHLLOKOSA-N 1 0 312.373 2.924 20 5 DFBDRO [NH3+]CCN(Cc1cc(F)cc(F)c1)c1ccccc1[N+](=O)[O-] ZINC000348918920 285721447 /nfs/dbraw/zinc/72/14/47/285721447.db2.gz DRFBJDZRVRTTIY-UHFFFAOYSA-N 1 0 307.300 2.838 20 5 DFBDRO Cc1nc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348933705 285725402 /nfs/dbraw/zinc/72/54/02/285725402.db2.gz KHNBWWNZTJNSJK-UHFFFAOYSA-N 1 0 306.391 2.633 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCn2cnc3ccccc32)cc1 ZINC000604558689 399856369 /nfs/dbraw/zinc/85/63/69/399856369.db2.gz ZQFWHVPAONAJSE-UHFFFAOYSA-N 1 0 310.357 2.777 20 5 DFBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000052160036 425884308 /nfs/dbraw/zinc/88/43/08/425884308.db2.gz IBCFYDRSKWGYHM-QWRGUYRKSA-N 1 0 323.422 2.836 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000172168540 145293556 /nfs/dbraw/zinc/29/35/56/145293556.db2.gz INKZAEBFQGEIDY-WBMJQRKESA-N 1 0 317.389 2.868 20 5 DFBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000174010394 145364037 /nfs/dbraw/zinc/36/40/37/145364037.db2.gz BMIBANWEPMOYJI-QWHCGFSZSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH+](C)C)CC1 ZINC000175087028 145398374 /nfs/dbraw/zinc/39/83/74/145398374.db2.gz KNGRMNJNJGZXQM-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CCN(C)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000190955588 145872806 /nfs/dbraw/zinc/87/28/06/145872806.db2.gz QVHRHCNNIKEZDC-UHFFFAOYSA-N 1 0 314.389 2.778 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227695351 146006563 /nfs/dbraw/zinc/00/65/63/146006563.db2.gz PGHWEDHOZAUXKZ-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)(C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000228367035 146009433 /nfs/dbraw/zinc/00/94/33/146009433.db2.gz XMPMLNBVBYGDGP-UHFFFAOYSA-N 1 0 313.785 2.643 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000230420564 146015250 /nfs/dbraw/zinc/01/52/50/146015250.db2.gz XSNQESQJEZLDTC-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416350 146137610 /nfs/dbraw/zinc/13/76/10/146137610.db2.gz BONXCMPVWRVVLF-DZGCQCFKSA-N 1 0 321.421 2.766 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000261764813 146272249 /nfs/dbraw/zinc/27/22/49/146272249.db2.gz QFHYNHQLYPSHED-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)ccc1[N+](=O)[O-] ZINC000261891286 146296183 /nfs/dbraw/zinc/29/61/83/146296183.db2.gz NUWINQUXPATQGL-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@H]21 ZINC000261985126 146316076 /nfs/dbraw/zinc/31/60/76/146316076.db2.gz RVOXEOANCDITHW-OUCADQQQSA-N 1 0 309.797 2.807 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@@H]1CCC[NH2+]C1 ZINC000261988351 146317551 /nfs/dbraw/zinc/31/75/51/146317551.db2.gz SRRWFUQTNKZZAG-VXGBXAGGSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000262037674 146325908 /nfs/dbraw/zinc/32/59/08/146325908.db2.gz ZWJYCBNLQVUDAU-NWDGAFQWSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@@]1(CNc2ccc([N+](=O)[O-])c3cccnc23)CCC[NH2+]C1 ZINC000262372827 146354874 /nfs/dbraw/zinc/35/48/74/146354874.db2.gz XQJHXORQWOFNSE-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262596473 146376236 /nfs/dbraw/zinc/37/62/36/146376236.db2.gz YJDRXYHJXOAKCU-UHFFFAOYSA-N 1 0 321.402 2.866 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267227328 146508029 /nfs/dbraw/zinc/50/80/29/146508029.db2.gz FDBUYZOMTPEOJN-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000354383576 147015602 /nfs/dbraw/zinc/01/56/02/147015602.db2.gz AOFSBUGZYORIKW-HIFRSBDPSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000354379815 147015952 /nfs/dbraw/zinc/01/59/52/147015952.db2.gz COPMKGNMFGCAOC-NWDGAFQWSA-N 1 0 323.368 2.679 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000354414918 147028310 /nfs/dbraw/zinc/02/83/10/147028310.db2.gz ZEZIFKQVDJAGMQ-QWRGUYRKSA-N 1 0 311.407 2.601 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354416759 147028493 /nfs/dbraw/zinc/02/84/93/147028493.db2.gz VVFLFXVPCLIBQO-AWEZNQCLSA-N 1 0 305.378 2.589 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000354985387 147213427 /nfs/dbraw/zinc/21/34/27/147213427.db2.gz SMNUYQUGUCPMJW-VBNZEHGJSA-N 1 0 308.378 2.748 20 5 DFBDRO CC1=CC[N@H+](CCNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000355573264 147367903 /nfs/dbraw/zinc/36/79/03/147367903.db2.gz VCBYCYYJYJXSSI-UHFFFAOYSA-N 1 0 323.780 2.630 20 5 DFBDRO Cc1ccccc1C[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000350089448 286002364 /nfs/dbraw/zinc/00/23/64/286002364.db2.gz AEXSEJFTDWBEEF-MRXNPFEDSA-N 1 0 314.389 2.807 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000358326576 148331035 /nfs/dbraw/zinc/33/10/35/148331035.db2.gz WQJJZAHWMRGYAH-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359396822 148653496 /nfs/dbraw/zinc/65/34/96/148653496.db2.gz NVUIOJAGZOBLCC-BBRMVZONSA-N 1 0 322.405 2.731 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000361515968 149136633 /nfs/dbraw/zinc/13/66/33/149136633.db2.gz MYPOYZQPEPDVLX-GJZGRUSLSA-N 1 0 318.377 2.685 20 5 DFBDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000286263034 286095394 /nfs/dbraw/zinc/09/53/94/286095394.db2.gz FRPRGPHBYJGRPA-GJZGRUSLSA-N 1 0 319.405 2.593 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000361766334 149212651 /nfs/dbraw/zinc/21/26/51/149212651.db2.gz RXKOVDSVWSRQQQ-XYPHTWIQSA-N 1 0 317.433 2.988 20 5 DFBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361777333 149216716 /nfs/dbraw/zinc/21/67/16/149216716.db2.gz SHUDYEAKTCURGH-LLVKDONJSA-N 1 0 323.780 2.557 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363098058 149428106 /nfs/dbraw/zinc/42/81/06/149428106.db2.gz ZISSDKYSPZQVOT-NWDGAFQWSA-N 1 0 323.780 2.605 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000372810251 150187384 /nfs/dbraw/zinc/18/73/84/150187384.db2.gz OURQXHUIGIBEHV-CJNGLKHVSA-N 1 0 306.362 2.651 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000373773487 150256607 /nfs/dbraw/zinc/25/66/07/150256607.db2.gz URIDONDLNBVKFA-IMJJTQAJSA-N 1 0 320.389 2.849 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351716966 286201410 /nfs/dbraw/zinc/20/14/10/286201410.db2.gz BZDRBMYDCZOKOX-GHMZBOCLSA-N 1 0 313.348 2.788 20 5 DFBDRO COc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000277026767 286229483 /nfs/dbraw/zinc/22/94/83/286229483.db2.gz NPQKEBCTDMMPDE-JSGCOSHPSA-N 1 0 305.378 2.524 20 5 DFBDRO CCOC(=O)C1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000351928161 286247636 /nfs/dbraw/zinc/24/76/36/286247636.db2.gz GLQAWHHSINWUOZ-ALCCZGGFSA-N 1 0 304.346 2.541 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2ccnc2C1 ZINC000427862212 296670638 /nfs/dbraw/zinc/67/06/38/296670638.db2.gz VLFOGKYEJTVRNF-HIFRSBDPSA-N 1 0 314.389 2.717 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000266114735 292282845 /nfs/dbraw/zinc/28/28/45/292282845.db2.gz NKGWLCOTODNBRL-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)c(F)c1 ZINC000428562528 296705557 /nfs/dbraw/zinc/70/55/57/296705557.db2.gz UTZMOLYMFLSHOG-LBPRGKRZSA-N 1 0 302.305 2.697 20 5 DFBDRO CCC[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCOC1 ZINC000352828764 286478515 /nfs/dbraw/zinc/47/85/15/286478515.db2.gz ZRWBCPNCUKJGHV-HNNXBMFYSA-N 1 0 304.350 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](CO)C2CC2)o1 ZINC000353134999 286559481 /nfs/dbraw/zinc/55/94/81/286559481.db2.gz WZMSTUCERVNOSO-ZDUSSCGKSA-N 1 0 316.357 2.963 20 5 DFBDRO COc1ncccc1CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353151125 286564115 /nfs/dbraw/zinc/56/41/15/286564115.db2.gz JXHQIPPQDZVIOR-DAXSKMNVSA-N 1 0 313.357 2.844 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C[NH3+] ZINC000429163734 296733792 /nfs/dbraw/zinc/73/37/92/296733792.db2.gz OKOZISGLWHENJC-ZWNOBZJWSA-N 1 0 317.345 2.540 20 5 DFBDRO CN(C)c1cccnc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000353194627 286576316 /nfs/dbraw/zinc/57/63/16/286576316.db2.gz PWTDUFJAWRNLEM-VMPITWQZSA-N 1 0 312.373 2.859 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429777863 296758819 /nfs/dbraw/zinc/75/88/19/296758819.db2.gz XEGPTCZJRHCCHW-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000237893271 158079395 /nfs/dbraw/zinc/07/93/95/158079395.db2.gz PHEPAEBKNXVFCI-HUUCEWRRSA-N 1 0 319.405 2.551 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246922010 158105991 /nfs/dbraw/zinc/10/59/91/158105991.db2.gz HZVKJCZOUKDXDV-FZMZJTMJSA-N 1 0 309.797 2.917 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247432674 158134731 /nfs/dbraw/zinc/13/47/31/158134731.db2.gz OVKHTNVECVQARS-ZFWWWQNUSA-N 1 0 319.405 2.706 20 5 DFBDRO CCN1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248030149 158156962 /nfs/dbraw/zinc/15/69/62/158156962.db2.gz QDCBSQKLQKVJET-IAGOWNOFSA-N 1 0 317.433 2.990 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000248343419 158168608 /nfs/dbraw/zinc/16/86/08/158168608.db2.gz KHIXFHZSHSNOIQ-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248370856 158169712 /nfs/dbraw/zinc/16/97/12/158169712.db2.gz YAJIBZLSRJLNHD-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000355051595 158261076 /nfs/dbraw/zinc/26/10/76/158261076.db2.gz CBEJMTSHYJKIRC-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357045015 158355310 /nfs/dbraw/zinc/35/53/10/158355310.db2.gz TXCUYQPDNNFEJC-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000358392728 158376921 /nfs/dbraw/zinc/37/69/21/158376921.db2.gz XPQKOXOMNQKGLT-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000430210037 296777543 /nfs/dbraw/zinc/77/75/43/296777543.db2.gz ZZPHHNGSIMRGEW-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO CCN(C(=O)/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000493696376 299811141 /nfs/dbraw/zinc/81/11/41/299811141.db2.gz QZAJLVVPVZNWPX-KVPUOBJLSA-N 1 0 317.389 2.599 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000493706965 299813361 /nfs/dbraw/zinc/81/33/61/299813361.db2.gz MQOGXWWSQGNTKC-CVEARBPZSA-N 1 0 308.378 2.634 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000053204838 425887174 /nfs/dbraw/zinc/88/71/74/425887174.db2.gz KSYCTVAJSDGSHW-VIFPVBQESA-N 1 0 303.284 2.802 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000129179092 196026465 /nfs/dbraw/zinc/02/64/65/196026465.db2.gz HUAXNINGEXICFI-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053364851 425887636 /nfs/dbraw/zinc/88/76/36/425887636.db2.gz FRTPBXHIWBBKKI-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C1CC1 ZINC000130746623 196106052 /nfs/dbraw/zinc/10/60/52/196106052.db2.gz WCVVEFKLAVLKMF-DYVFJYSZSA-N 1 0 317.433 2.988 20 5 DFBDRO CC(C)COC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130823232 196113380 /nfs/dbraw/zinc/11/33/80/196113380.db2.gz JUVLHKOLJZCCEL-KRWDZBQOSA-N 1 0 322.405 2.593 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000132868708 196292059 /nfs/dbraw/zinc/29/20/59/196292059.db2.gz UUSHKYCAIVAALK-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000132957704 196299147 /nfs/dbraw/zinc/29/91/47/196299147.db2.gz LUVARZPKVZXTKL-NSHDSACASA-N 1 0 309.366 2.770 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134197626 196370166 /nfs/dbraw/zinc/37/01/66/196370166.db2.gz LJLQETOXVHZNFJ-CPUCHLNUSA-N 1 0 321.421 2.745 20 5 DFBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000134271340 196375539 /nfs/dbraw/zinc/37/55/39/196375539.db2.gz YAQNWJAAEKMJHN-INIZCTEOSA-N 1 0 314.389 2.917 20 5 DFBDRO COCCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290942761 222019016 /nfs/dbraw/zinc/01/90/16/222019016.db2.gz UFLVJFGUMZGPLJ-UHFFFAOYSA-N 1 0 323.176 2.654 20 5 DFBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327752 222315828 /nfs/dbraw/zinc/31/58/28/222315828.db2.gz VJGBOQZDDXKRRN-DGCLKSJQSA-N 1 0 323.393 2.587 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000297430461 227152198 /nfs/dbraw/zinc/15/21/98/227152198.db2.gz SUVKJUZOWDGPIU-JTQLQIEISA-N 1 0 319.386 2.620 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(CN3CCC[NH2+]CC3)cs2)c1 ZINC000435383590 296958891 /nfs/dbraw/zinc/95/88/91/296958891.db2.gz JBRCAIRRVQSQKQ-UHFFFAOYSA-N 1 0 318.402 2.514 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000299339246 229060287 /nfs/dbraw/zinc/06/02/87/229060287.db2.gz AHKJEXYFDIWKQX-UHFFFAOYSA-N 1 0 319.386 2.865 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000299689091 229332896 /nfs/dbraw/zinc/33/28/96/229332896.db2.gz YVYPAJPUXDMPAB-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302023327 230042225 /nfs/dbraw/zinc/04/22/25/230042225.db2.gz GQQZIEOGZMIVRS-MGPQQGTHSA-N 1 0 321.421 2.865 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066532395 425904546 /nfs/dbraw/zinc/90/45/46/425904546.db2.gz NUYBQTQYWAFHAT-GUTXKFCHSA-N 1 0 308.378 2.597 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCC(C)CC1 ZINC000067269712 425909583 /nfs/dbraw/zinc/90/95/83/425909583.db2.gz ANTZSZGUOOHWPM-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)COC(C)(C)C ZINC000067458511 425910716 /nfs/dbraw/zinc/91/07/16/425910716.db2.gz ZIHMBTHREOHLQG-INIZCTEOSA-N 1 0 324.421 2.981 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000102573591 425921986 /nfs/dbraw/zinc/92/19/86/425921986.db2.gz FINNPCORNJKYLR-UHFFFAOYSA-N 1 0 308.382 2.755 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155713789 425924944 /nfs/dbraw/zinc/92/49/44/425924944.db2.gz DKBDKCIVKJNZJY-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO CC[NH2+]CCCNc1ccc(Br)cc1[N+](=O)[O-] ZINC000038043475 425850381 /nfs/dbraw/zinc/85/03/81/425850381.db2.gz UQHKWTGGWLAUIV-UHFFFAOYSA-N 1 0 302.172 2.769 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000192640767 268043154 /nfs/dbraw/zinc/04/31/54/268043154.db2.gz NDXSYRUQJNARJH-KGLIPLIRSA-N 1 0 321.425 2.571 20 5 DFBDRO Cc1cccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000047145431 425868289 /nfs/dbraw/zinc/86/82/89/425868289.db2.gz MMMAIAIOJCRJSB-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]CC1 ZINC000193355688 268065104 /nfs/dbraw/zinc/06/51/04/268065104.db2.gz MWFOAKAQDTXDTE-UHFFFAOYSA-N 1 0 319.386 2.681 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000193480852 268069809 /nfs/dbraw/zinc/06/98/09/268069809.db2.gz NTWQEXKBKGVMDG-NSHDSACASA-N 1 0 313.423 2.897 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236692840 268148215 /nfs/dbraw/zinc/14/82/15/268148215.db2.gz MFSFRPNYDSWBFH-YERXGYGTSA-N 1 0 323.368 2.627 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1C ZINC000248368040 268165885 /nfs/dbraw/zinc/16/58/85/268165885.db2.gz USXBKUXMPMUUFF-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267061550 268179249 /nfs/dbraw/zinc/17/92/49/268179249.db2.gz TZADWHAOXAHXIW-CYBMUJFWSA-N 1 0 309.385 2.898 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269015508 268187264 /nfs/dbraw/zinc/18/72/64/268187264.db2.gz YFGRFTWHOLQPFJ-CABCVRRESA-N 1 0 310.419 2.894 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269015511 268187724 /nfs/dbraw/zinc/18/77/24/268187724.db2.gz YFGRFTWHOLQPFJ-GJZGRUSLSA-N 1 0 310.419 2.894 20 5 DFBDRO C[NH+](C)CCOc1cc(CNc2ccccc2[N+](=O)[O-])ccn1 ZINC000270738745 268209732 /nfs/dbraw/zinc/20/97/32/268209732.db2.gz UFGHOGPMRWRNEX-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO O=C(NC1CC[NH+](C2CC2)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000270788787 268217776 /nfs/dbraw/zinc/21/77/76/268217776.db2.gz WERVHVGYVNHBCB-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000272200019 268251706 /nfs/dbraw/zinc/25/17/06/268251706.db2.gz GGLZNFCIZQDDLX-YPMHNXCESA-N 1 0 319.405 2.702 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000277293827 268264113 /nfs/dbraw/zinc/26/41/13/268264113.db2.gz RKKLGWFMXGSUIR-GFCCVEGCSA-N 1 0 305.378 2.552 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C1CC1 ZINC000289541964 268280775 /nfs/dbraw/zinc/28/07/75/268280775.db2.gz WXJGAMYHPIFPES-QRTARXTBSA-N 1 0 304.390 2.667 20 5 DFBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000293150064 268288886 /nfs/dbraw/zinc/28/88/86/268288886.db2.gz UDVRKDKNZJFRLK-INIZCTEOSA-N 1 0 306.406 2.914 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000296260969 268301303 /nfs/dbraw/zinc/30/13/03/268301303.db2.gz YHMKBMKEYDRVEK-OAHLLOKOSA-N 1 0 308.378 2.850 20 5 DFBDRO CCCN(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000319759524 268346810 /nfs/dbraw/zinc/34/68/10/268346810.db2.gz VQHIEUHQRBEVQX-YVMONPNESA-N 1 0 317.389 2.599 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000125755497 425989122 /nfs/dbraw/zinc/98/91/22/425989122.db2.gz BETBXHKAFUKYSW-LBPRGKRZSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000071951604 426006232 /nfs/dbraw/zinc/00/62/32/426006232.db2.gz ALYYZCFIWLHGLQ-KRWDZBQOSA-N 1 0 320.437 2.587 20 5 DFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@H]1CCOC1 ZINC000106879521 425978546 /nfs/dbraw/zinc/97/85/46/425978546.db2.gz IDMJZIOLRMRBIW-AWEZNQCLSA-N 1 0 317.345 2.513 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CC[NH+](C)CC1 ZINC000073046309 426023852 /nfs/dbraw/zinc/02/38/52/426023852.db2.gz OYOVAVJQRLFHCQ-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000126620773 426029034 /nfs/dbraw/zinc/02/90/34/426029034.db2.gz FZCFPBAONQTASJ-DZGCQCFKSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000161927329 426046002 /nfs/dbraw/zinc/04/60/02/426046002.db2.gz KRXAVNTZGIDWOM-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CC1CCC1 ZINC000111299556 426046524 /nfs/dbraw/zinc/04/65/24/426046524.db2.gz RLGUXEMTWKYZLJ-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075242039 426067622 /nfs/dbraw/zinc/06/76/22/426067622.db2.gz HZMUMMWELBZJEB-FMIVXFBMSA-N 1 0 319.405 2.846 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000112919599 426097897 /nfs/dbraw/zinc/09/78/97/426097897.db2.gz XVTCLMAIRCAZCF-UHFFFAOYSA-N 1 0 313.423 2.817 20 5 DFBDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369032 426098249 /nfs/dbraw/zinc/09/82/49/426098249.db2.gz IILNBVHTTGZNDL-GJZGRUSLSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000113267879 426110259 /nfs/dbraw/zinc/11/02/59/426110259.db2.gz USRCIZFKXWJAMT-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO CC(C)(C)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000164019357 426110426 /nfs/dbraw/zinc/11/04/26/426110426.db2.gz JCPMXOKXMWKZSY-HOCLYGCPSA-N 1 0 306.406 2.913 20 5 DFBDRO CC[C@@](C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113339276 426112716 /nfs/dbraw/zinc/11/27/16/426112716.db2.gz GAYLLYAVIHIHOY-OAHLLOKOSA-N 1 0 321.402 2.969 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000076485749 426112917 /nfs/dbraw/zinc/11/29/17/426112917.db2.gz JYDXZKZVJSQSIL-UHFFFAOYSA-N 1 0 308.382 2.646 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000113445050 426114279 /nfs/dbraw/zinc/11/42/79/426114279.db2.gz XOWGTDXGWVXDMP-ZYHUDNBSSA-N 1 0 323.780 2.557 20 5 DFBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000077220973 426123647 /nfs/dbraw/zinc/12/36/47/426123647.db2.gz ZCJQKNHGNTVLQK-UHFFFAOYSA-N 1 0 302.330 2.902 20 5 DFBDRO COCCCN(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000166771384 426128669 /nfs/dbraw/zinc/12/86/69/426128669.db2.gz KFHYRXBMUVQESD-AWEZNQCLSA-N 1 0 309.410 2.522 20 5 DFBDRO Cc1sc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000114377646 426133578 /nfs/dbraw/zinc/13/35/78/426133578.db2.gz ITPVVHBBLIJEDA-NSHDSACASA-N 1 0 313.423 2.671 20 5 DFBDRO CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000168327322 426134426 /nfs/dbraw/zinc/13/44/26/426134426.db2.gz FIZWWSMZHHCVHZ-MRXNPFEDSA-N 1 0 321.421 2.746 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458726 426135710 /nfs/dbraw/zinc/13/57/10/426135710.db2.gz SITFPXBHGVOCAT-IRXDYDNUSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000127661159 426079240 /nfs/dbraw/zinc/07/92/40/426079240.db2.gz ZSKURLHBCYCLAJ-LBPRGKRZSA-N 1 0 323.418 2.523 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127728589 426082100 /nfs/dbraw/zinc/08/21/00/426082100.db2.gz MDLOWBIISDRHDA-LBPRGKRZSA-N 1 0 313.785 2.694 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000112658563 426086577 /nfs/dbraw/zinc/08/65/77/426086577.db2.gz BXNYDQMQLHYFFJ-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000112654804 426086675 /nfs/dbraw/zinc/08/66/75/426086675.db2.gz WZPWBRPFXCUXGX-HNNXBMFYSA-N 1 0 312.373 2.719 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835111 426086818 /nfs/dbraw/zinc/08/68/18/426086818.db2.gz UJTBVGCFVUGGIH-INIZCTEOSA-N 1 0 303.406 2.903 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000338295842 268653189 /nfs/dbraw/zinc/65/31/89/268653189.db2.gz ICPMOUFLISNHLC-NXEZZACHSA-N 1 0 314.769 2.926 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170709412 426145737 /nfs/dbraw/zinc/14/57/37/426145737.db2.gz IPTNIYHHBDRNCB-NSHDSACASA-N 1 0 320.393 2.622 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000130259594 426152436 /nfs/dbraw/zinc/15/24/36/426152436.db2.gz BYXISGDZSFUTEO-HOCLYGCPSA-N 1 0 322.405 2.845 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccncc2)cc1[N+](=O)[O-] ZINC000171040941 426165773 /nfs/dbraw/zinc/16/57/73/426165773.db2.gz HGTNSMMOMSEUTC-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](CC)C(C)C)c([N+](=O)[O-])c1 ZINC000171057194 426166403 /nfs/dbraw/zinc/16/64/03/426166403.db2.gz PCWLGQUZMIXURF-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO CN(C(=O)C[NH+](CC1CC1)CC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000115564453 426168201 /nfs/dbraw/zinc/16/82/01/426168201.db2.gz GFANUZQMRBGLPN-UHFFFAOYSA-N 1 0 317.389 2.680 20 5 DFBDRO CC(C)[N@H+](C)CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000171139489 426172427 /nfs/dbraw/zinc/17/24/27/426172427.db2.gz LGUCAXQJAUEBQD-UHFFFAOYSA-N 1 0 321.402 2.880 20 5 DFBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000171248600 426178624 /nfs/dbraw/zinc/17/86/24/426178624.db2.gz FWJWMGPPYDXWOC-MCIONIFRSA-N 1 0 319.405 2.815 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000116319849 426187607 /nfs/dbraw/zinc/18/76/07/426187607.db2.gz RGLQYIKDZKXXSJ-JSGCOSHPSA-N 1 0 300.362 2.879 20 5 DFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000135431994 426218056 /nfs/dbraw/zinc/21/80/56/426218056.db2.gz WLNAWBYSPWDAEQ-ZDUSSCGKSA-N 1 0 324.402 2.789 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000171952514 426219554 /nfs/dbraw/zinc/21/95/54/426219554.db2.gz XHYOEQSIRMOZIW-GFCCVEGCSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1[N+](=O)[O-] ZINC000135890066 426229638 /nfs/dbraw/zinc/22/96/38/426229638.db2.gz RCSWLYIGXDFYMI-GOSISDBHSA-N 1 0 312.369 2.827 20 5 DFBDRO C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000173053270 426233824 /nfs/dbraw/zinc/23/38/24/426233824.db2.gz GLJDFKRDPRBSQR-LXKVQUBZSA-N 1 0 319.405 2.701 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccnc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173319962 426238182 /nfs/dbraw/zinc/23/81/82/426238182.db2.gz QKEQAMSWRCTVNE-GFCCVEGCSA-N 1 0 300.362 2.907 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000339113460 268756116 /nfs/dbraw/zinc/75/61/16/268756116.db2.gz ANXPJEHBALPIHO-NSHDSACASA-N 1 0 313.785 2.673 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000142083786 426257332 /nfs/dbraw/zinc/25/73/32/426257332.db2.gz KOJKCZIGIMXGBH-SRVKXCTJSA-N 1 0 323.393 2.955 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000087004731 426261503 /nfs/dbraw/zinc/26/15/03/426261503.db2.gz UWBALGVRPACQDS-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[N@H+](CCC1CC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000135249363 426211338 /nfs/dbraw/zinc/21/13/38/426211338.db2.gz KSIJWWYDTDXAEZ-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000117347556 426212833 /nfs/dbraw/zinc/21/28/33/426212833.db2.gz FNYABQNAYTYCKG-DOTOQJQBSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135303711 426213158 /nfs/dbraw/zinc/21/31/58/426213158.db2.gz ADWUREDIWUDKCE-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000339379276 268801821 /nfs/dbraw/zinc/80/18/21/268801821.db2.gz BKWWXGRMBLODDB-UHFFFAOYSA-N 1 0 323.393 2.637 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119474264 426291266 /nfs/dbraw/zinc/29/12/66/426291266.db2.gz VXJQMTSQWKGSAM-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175334948 426297740 /nfs/dbraw/zinc/29/77/40/426297740.db2.gz WWEGTSUCKIROSL-CYBMUJFWSA-N 1 0 322.409 2.687 20 5 DFBDRO CC[C@](C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152171218 426329689 /nfs/dbraw/zinc/32/96/89/426329689.db2.gz FCRHFFGNXJNXKP-OAHLLOKOSA-N 1 0 321.402 2.969 20 5 DFBDRO CC1CCC(O)(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000088616532 426278837 /nfs/dbraw/zinc/27/88/37/426278837.db2.gz WHXFWECTSOUEPY-UHFFFAOYSA-N 1 0 304.390 2.894 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122783136 426394683 /nfs/dbraw/zinc/39/46/83/426394683.db2.gz QDXOHVUITIJULJ-GFCCVEGCSA-N 1 0 305.378 2.565 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000122927554 426403813 /nfs/dbraw/zinc/40/38/13/426403813.db2.gz PVZXBEPYVJXDKA-TXEJJXNPSA-N 1 0 319.361 2.766 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000093808902 426357242 /nfs/dbraw/zinc/35/72/42/426357242.db2.gz ALFVHSVTUYQKIK-CYBMUJFWSA-N 1 0 319.405 2.806 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000152876612 426359047 /nfs/dbraw/zinc/35/90/47/426359047.db2.gz DYHDXEAESZROGN-HUUCEWRRSA-N 1 0 319.405 2.849 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccccc1Cl ZINC000176208975 426361162 /nfs/dbraw/zinc/36/11/62/426361162.db2.gz PDGCIHVPSNANTH-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000176264853 426365780 /nfs/dbraw/zinc/36/57/80/426365780.db2.gz RYAZVBAOTPOGGC-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153200530 426375188 /nfs/dbraw/zinc/37/51/88/426375188.db2.gz WFORSQMSLHWYEO-HIFRSBDPSA-N 1 0 321.421 2.522 20 5 DFBDRO Cc1cc(NC(=O)N(CC[NH+](C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000153835510 426409352 /nfs/dbraw/zinc/40/93/52/426409352.db2.gz JKDQRQHMIIFYBG-UHFFFAOYSA-N 1 0 308.382 2.707 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153862302 426410898 /nfs/dbraw/zinc/41/08/98/426410898.db2.gz MUFBHORROXOTES-LLVKDONJSA-N 1 0 312.801 2.811 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153901628 426412431 /nfs/dbraw/zinc/41/24/31/426412431.db2.gz AFOLAZREOJVJFS-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)C2CCCC2)cc([N+](=O)[O-])c1 ZINC000123186045 426418840 /nfs/dbraw/zinc/41/88/40/426418840.db2.gz NWBDFEJKCAUQNL-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123414847 426431501 /nfs/dbraw/zinc/43/15/01/426431501.db2.gz QWOVLWLLEPVBGF-OKZVOGLASA-N 1 0 317.389 2.549 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCc3cnccn3)o2)c1 ZINC000341283165 269059775 /nfs/dbraw/zinc/05/97/75/269059775.db2.gz WMNIXKNNKNNFGD-UHFFFAOYSA-N 1 0 324.340 2.977 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](C2CCCCC2)CC1 ZINC000154671909 426450779 /nfs/dbraw/zinc/45/07/79/426450779.db2.gz KDPYNHBQZBDIBH-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000177439821 426479577 /nfs/dbraw/zinc/47/95/77/426479577.db2.gz PUSKHZRMNBHBOD-UHFFFAOYSA-N 1 0 323.418 2.793 20 5 DFBDRO C[C@H](CO)[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000098173606 426480654 /nfs/dbraw/zinc/48/06/54/426480654.db2.gz HXANLHKQXWVVIC-LLVKDONJSA-N 1 0 320.320 2.997 20 5 DFBDRO COc1cc(C[NH+]2CCC(C)(OC)CC2)c([N+](=O)[O-])cc1OC ZINC000272359544 426506904 /nfs/dbraw/zinc/50/69/04/426506904.db2.gz MUCLOGUNILTHIK-UHFFFAOYSA-N 1 0 324.377 2.613 20 5 DFBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186378007 426516880 /nfs/dbraw/zinc/51/68/80/426516880.db2.gz PHRLUOABKWULIR-IKGGRYGDSA-N 1 0 322.405 2.812 20 5 DFBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186377986 426517105 /nfs/dbraw/zinc/51/71/05/426517105.db2.gz PHRLUOABKWULIR-IXDOHACOSA-N 1 0 322.405 2.812 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000177801382 426523654 /nfs/dbraw/zinc/52/36/54/426523654.db2.gz UEGXRDQMRQGBPK-HNNXBMFYSA-N 1 0 317.345 2.545 20 5 DFBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000186578394 426554896 /nfs/dbraw/zinc/55/48/96/426554896.db2.gz KZACWYUZRFFPAJ-DOTOQJQBSA-N 1 0 322.405 2.559 20 5 DFBDRO Cc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280256317 426531581 /nfs/dbraw/zinc/53/15/81/426531581.db2.gz CELYVZKWPBCKET-HNNXBMFYSA-N 1 0 314.389 2.898 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1C ZINC000177869978 426533029 /nfs/dbraw/zinc/53/30/29/426533029.db2.gz XOXULYQGNWYATA-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186483124 426535649 /nfs/dbraw/zinc/53/56/49/426535649.db2.gz KTGHIWXWRQSODO-UHFFFAOYSA-N 1 0 308.403 2.693 20 5 DFBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186503620 426541085 /nfs/dbraw/zinc/54/10/85/426541085.db2.gz SCNBIKVKRLFKQP-JRCXTIHVSA-N 1 0 308.378 2.971 20 5 DFBDRO Cc1ccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280341474 426553421 /nfs/dbraw/zinc/55/34/21/426553421.db2.gz SBZGBEAGBQCVQN-QGZVFWFLSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000177597620 426497925 /nfs/dbraw/zinc/49/79/25/426497925.db2.gz IOWHJRZQWSILDQ-KBPBESRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177591893 426498003 /nfs/dbraw/zinc/49/80/03/426498003.db2.gz KLLIYOSCEFMGEJ-KGLIPLIRSA-N 1 0 305.378 2.506 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]C(C)C)CC1 ZINC000177671627 426503518 /nfs/dbraw/zinc/50/35/18/426503518.db2.gz YGXCIAKBVRNBNU-UHFFFAOYSA-N 1 0 321.421 2.956 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186319815 426504252 /nfs/dbraw/zinc/50/42/52/426504252.db2.gz VJNMBTJYRBUTGF-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264548793 426572725 /nfs/dbraw/zinc/57/27/25/426572725.db2.gz CJACUKUEPSOEHA-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264562642 426574453 /nfs/dbraw/zinc/57/44/53/426574453.db2.gz QYCQBDLZIURXDR-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000222087243 426581713 /nfs/dbraw/zinc/58/17/13/426581713.db2.gz DNUCJAUNBAMEAM-GFCCVEGCSA-N 1 0 323.393 2.988 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](O)C3CC3)o2)cc1 ZINC000265108180 426582281 /nfs/dbraw/zinc/58/22/81/426582281.db2.gz VRPBJYAODZBFFV-OAHLLOKOSA-N 1 0 302.330 2.715 20 5 DFBDRO COc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000273086435 426589252 /nfs/dbraw/zinc/58/92/52/426589252.db2.gz RQUKOVUBZOHQPH-STQMWFEESA-N 1 0 308.378 2.898 20 5 DFBDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273098913 426592334 /nfs/dbraw/zinc/59/23/34/426592334.db2.gz VJORMFCYZBKYEB-CVEARBPZSA-N 1 0 306.362 2.651 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1F ZINC000265186082 426593755 /nfs/dbraw/zinc/59/37/55/426593755.db2.gz XJMJDRAAHSMGQB-MRXNPFEDSA-N 1 0 322.311 2.870 20 5 DFBDRO C[C@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273120819 426596977 /nfs/dbraw/zinc/59/69/77/426596977.db2.gz ZKSMNROHPFUHHO-HOTGVXAUSA-N 1 0 306.362 2.521 20 5 DFBDRO CSC1(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000289186738 426600961 /nfs/dbraw/zinc/60/09/61/426600961.db2.gz UBNKRKOEICSAHE-UHFFFAOYSA-N 1 0 307.419 2.612 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000280601623 426611566 /nfs/dbraw/zinc/61/15/66/426611566.db2.gz YGZGPIJFOALAPR-VBQJREDUSA-N 1 0 320.389 2.672 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226789271 426621905 /nfs/dbraw/zinc/62/19/05/426621905.db2.gz WUFRMHCCIVORPL-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CCC[C@H]([NH2+]C[C@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178376312 426617863 /nfs/dbraw/zinc/61/78/63/426617863.db2.gz AGUMHNNFPPLPRL-JKSUJKDBSA-N 1 0 310.394 2.813 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000280621213 426617905 /nfs/dbraw/zinc/61/79/05/426617905.db2.gz ZXQQFASNIQKWJH-CQSZACIVSA-N 1 0 320.389 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCN2CCSCC2)c(Cl)c1 ZINC000226230298 426618867 /nfs/dbraw/zinc/61/88/67/426618867.db2.gz XTTZHEBBRGTPEP-UHFFFAOYSA-N 1 0 301.799 2.709 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265495338 426646545 /nfs/dbraw/zinc/64/65/45/426646545.db2.gz LNGKDBXCEOSHOX-GFCCVEGCSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273356636 426650986 /nfs/dbraw/zinc/65/09/86/426650986.db2.gz DPXDXCQEPXGQIL-LBPRGKRZSA-N 1 0 324.356 2.682 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000273401070 426658555 /nfs/dbraw/zinc/65/85/55/426658555.db2.gz GKWWNKPPBLCAJX-QGZVFWFLSA-N 1 0 303.406 2.963 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658217 426670493 /nfs/dbraw/zinc/67/04/93/426670493.db2.gz KWBDINFBBDWQMP-ZIAGYGMSSA-N 1 0 308.378 2.689 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000289643797 426671096 /nfs/dbraw/zinc/67/10/96/426671096.db2.gz HXBGYYKNQMXLRV-GFCCVEGCSA-N 1 0 308.382 2.753 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273487922 426673631 /nfs/dbraw/zinc/67/36/31/426673631.db2.gz RSNALWKWDPUZCT-SNVBAGLBSA-N 1 0 312.345 2.586 20 5 DFBDRO COc1cc(C[NH2+]CCSC(C)C)c([N+](=O)[O-])cc1O ZINC000290079535 426687327 /nfs/dbraw/zinc/68/73/27/426687327.db2.gz ISWHHHGOUPUTAA-UHFFFAOYSA-N 1 0 300.380 2.540 20 5 DFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686669 426677125 /nfs/dbraw/zinc/67/71/25/426677125.db2.gz DTIZAAKHQLRXQH-OLZOCXBDSA-N 1 0 307.394 2.892 20 5 DFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178690273 426677537 /nfs/dbraw/zinc/67/75/37/426677537.db2.gz QZBZEKAAYJURKI-STQMWFEESA-N 1 0 307.394 2.859 20 5 DFBDRO CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000227711958 426630529 /nfs/dbraw/zinc/63/05/29/426630529.db2.gz USWDHTSSKXLHQB-ZDUSSCGKSA-N 1 0 323.393 2.988 20 5 DFBDRO CC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000227714497 426630945 /nfs/dbraw/zinc/63/09/45/426630945.db2.gz ZGYXOUDXWOLRCW-ZDUSSCGKSA-N 1 0 323.393 2.988 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccsc1 ZINC000273568487 426687695 /nfs/dbraw/zinc/68/76/95/426687695.db2.gz CXKAMLIUWXIWSQ-ZDUSSCGKSA-N 1 0 321.406 2.941 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000273949442 426715016 /nfs/dbraw/zinc/71/50/16/426715016.db2.gz DVBOIAZTQJNKQS-UHFFFAOYSA-N 1 0 317.393 2.639 20 5 DFBDRO C[S@](=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000280941175 426692046 /nfs/dbraw/zinc/69/20/46/426692046.db2.gz GHGTVMAONVPXIO-NYHFZMIOSA-N 1 0 322.430 2.863 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3ccccn3)CC2)cs1 ZINC000237972331 426701418 /nfs/dbraw/zinc/70/14/18/426701418.db2.gz CIDZMQFDZTZGKR-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266796088 426779658 /nfs/dbraw/zinc/77/96/58/426779658.db2.gz QNWOKYDVAJWZKS-GUYCJALGSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000245940621 426785791 /nfs/dbraw/zinc/78/57/91/426785791.db2.gz QWDUNKJEOMBGCC-VXGBXAGGSA-N 1 0 306.362 2.939 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000266136105 426723763 /nfs/dbraw/zinc/72/37/63/426723763.db2.gz FNQPOIYFSAALEF-INIZCTEOSA-N 1 0 320.437 2.587 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000188117906 426724638 /nfs/dbraw/zinc/72/46/38/426724638.db2.gz VZTQYAFVFNLAOR-IUODEOHRSA-N 1 0 306.362 2.534 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000245432000 426736947 /nfs/dbraw/zinc/73/69/47/426736947.db2.gz OKRUTAYZFHTYCP-CVEARBPZSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000274322017 426743895 /nfs/dbraw/zinc/74/38/95/426743895.db2.gz ZFAQCGYZSOVBLB-GFCCVEGCSA-N 1 0 308.382 2.673 20 5 DFBDRO CC(C)(CC[NH+]1CCCCCC1)Nc1ncc([N+](=O)[O-])cn1 ZINC000274612983 426802910 /nfs/dbraw/zinc/80/29/10/426802910.db2.gz IJNIVHNNLCJLPP-UHFFFAOYSA-N 1 0 307.398 2.841 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000188930105 426803545 /nfs/dbraw/zinc/80/35/45/426803545.db2.gz LRXDFBSVIWMUAF-AWEZNQCLSA-N 1 0 306.387 2.658 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCOCC1 ZINC000179628497 426808109 /nfs/dbraw/zinc/80/81/09/426808109.db2.gz MPEXKSSYYKKKJP-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(COC)CCC1 ZINC000281991703 426808322 /nfs/dbraw/zinc/80/83/22/426808322.db2.gz LKJQHRIWVYPVLL-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246230320 426812107 /nfs/dbraw/zinc/81/21/07/426812107.db2.gz MMELFLXMHSJXQN-OLZOCXBDSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282040647 426817511 /nfs/dbraw/zinc/81/75/11/426817511.db2.gz LLZGYVZUMVEKRD-MRXNPFEDSA-N 1 0 320.389 2.913 20 5 DFBDRO CC[NH+](CC)CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188879170 426796800 /nfs/dbraw/zinc/79/68/00/426796800.db2.gz YKQYBZNMFXDQKS-UHFFFAOYSA-N 1 0 307.394 2.790 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000268109299 426915020 /nfs/dbraw/zinc/91/50/20/426915020.db2.gz GHBYECQPAVHSGU-RISCZKNCSA-N 1 0 320.393 2.625 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275816132 426923669 /nfs/dbraw/zinc/92/36/69/426923669.db2.gz GSQRZINTAUCWCC-UHFFFAOYSA-N 1 0 307.394 2.790 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280928 426861992 /nfs/dbraw/zinc/86/19/92/426861992.db2.gz OUQMYMZNIAHNMC-GJZGRUSLSA-N 1 0 317.389 2.860 20 5 DFBDRO O=C(CC[NH+]1CCC(CF)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000295214604 426865630 /nfs/dbraw/zinc/86/56/30/426865630.db2.gz WZSKPIBIQHOSTB-UHFFFAOYSA-N 1 0 309.341 2.605 20 5 DFBDRO COc1cc(C[NH2+]CC2CC(F)(F)C2)c([N+](=O)[O-])cc1OC ZINC000291671661 426945835 /nfs/dbraw/zinc/94/58/35/426945835.db2.gz GOWNTVOEKFJWPM-UHFFFAOYSA-N 1 0 316.304 2.747 20 5 DFBDRO C[N@H+](CCNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000316561446 426948434 /nfs/dbraw/zinc/94/84/34/426948434.db2.gz JPXJUVULRALMNG-UHFFFAOYSA-N 1 0 303.366 2.757 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373568 426993931 /nfs/dbraw/zinc/99/39/31/426993931.db2.gz JUGNIDLZGYHCNZ-RBSFLKMASA-N 1 0 322.405 2.845 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000283088582 426951544 /nfs/dbraw/zinc/95/15/44/426951544.db2.gz LCQLLIHVFATNGZ-GFCCVEGCSA-N 1 0 322.336 2.509 20 5 DFBDRO COc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000268216784 426953178 /nfs/dbraw/zinc/95/31/78/426953178.db2.gz RMBPOXPPCDBELI-LLVKDONJSA-N 1 0 311.357 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000181497803 426955122 /nfs/dbraw/zinc/95/51/22/426955122.db2.gz JXTDNCISYNKBNB-OAHLLOKOSA-N 1 0 322.405 2.895 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181530345 426957005 /nfs/dbraw/zinc/95/70/05/426957005.db2.gz ANAFQIFEYQQPFG-OAHLLOKOSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247979743 426969784 /nfs/dbraw/zinc/96/97/84/426969784.db2.gz METBXPYQLQSEFP-RBSFLKMASA-N 1 0 321.421 2.745 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283232971 426982683 /nfs/dbraw/zinc/98/26/83/426982683.db2.gz UHDNAEOEDCJLSP-UHFFFAOYSA-N 1 0 306.341 2.761 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cn1 ZINC000268319722 426985046 /nfs/dbraw/zinc/98/50/46/426985046.db2.gz MKXMPPQQJYMUHZ-UHFFFAOYSA-N 1 0 300.362 2.558 20 5 DFBDRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000283271974 426986209 /nfs/dbraw/zinc/98/62/09/426986209.db2.gz LILMUYGOZNISNF-RYUDHWBXSA-N 1 0 323.418 2.749 20 5 DFBDRO C[NH+](C)CCN(Cc1cccs1)c1ccc([N+](=O)[O-])cn1 ZINC000268335768 426990409 /nfs/dbraw/zinc/99/04/09/426990409.db2.gz QXFARLPYSWHZRQ-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000275844573 426931024 /nfs/dbraw/zinc/93/10/24/426931024.db2.gz VGUNUPKZHANSKP-UHFFFAOYSA-N 1 0 324.356 2.682 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@H](O)CC(F)(F)F)C1CC1 ZINC000189731951 426935416 /nfs/dbraw/zinc/93/54/16/426935416.db2.gz CRGHUDSOJXJKIU-GFCCVEGCSA-N 1 0 318.295 2.873 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181914822 426993607 /nfs/dbraw/zinc/99/36/07/426993607.db2.gz XKFHCYMATWMHBJ-ILXRZTDVSA-N 1 0 320.389 2.599 20 5 DFBDRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c[nH]1 ZINC000291663561 426942703 /nfs/dbraw/zinc/94/27/03/426942703.db2.gz FJXUYOGAIXOYHS-UHFFFAOYSA-N 1 0 317.345 2.734 20 5 DFBDRO CCCC(=O)N[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283349494 426999305 /nfs/dbraw/zinc/99/93/05/426999305.db2.gz BGIXBDRTEWDCFV-ZDUSSCGKSA-N 1 0 323.368 2.615 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248467978 427003649 /nfs/dbraw/zinc/00/36/49/427003649.db2.gz TYIDGQHLVAOKDO-UONOGXRCSA-N 1 0 310.394 2.703 20 5 DFBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474841 427004652 /nfs/dbraw/zinc/00/46/52/427004652.db2.gz XKZKVBRPLVYRRU-HUUCEWRRSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248495627 427006896 /nfs/dbraw/zinc/00/68/96/427006896.db2.gz QKQRYPSGHVYWBA-FRRDWIJNSA-N 1 0 305.378 2.948 20 5 DFBDRO NC(=O)C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000182061794 427009816 /nfs/dbraw/zinc/00/98/16/427009816.db2.gz HVSVYPCWERTJLX-AWEZNQCLSA-N 1 0 323.368 2.648 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337871000 427011079 /nfs/dbraw/zinc/01/10/79/427011079.db2.gz NRBLGOSLSWYOEV-HUUCEWRRSA-N 1 0 319.405 2.710 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000276217347 427011766 /nfs/dbraw/zinc/01/17/66/427011766.db2.gz LXRIEBJBBSTKCO-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248571053 427014908 /nfs/dbraw/zinc/01/49/08/427014908.db2.gz MBBXAHKKFVPURB-GXTWGEPZSA-N 1 0 320.393 2.850 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000295727653 427015037 /nfs/dbraw/zinc/01/50/37/427015037.db2.gz VKHVBKGKSNWUAV-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000248829444 427046332 /nfs/dbraw/zinc/04/63/32/427046332.db2.gz HAYQUSVDDBGDPY-VMGRFDJRSA-N 1 0 320.389 2.756 20 5 DFBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292053458 427071626 /nfs/dbraw/zinc/07/16/26/427071626.db2.gz BCIAYZUFHNQMNQ-AWEZNQCLSA-N 1 0 303.406 2.901 20 5 DFBDRO COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458056 427074721 /nfs/dbraw/zinc/07/47/21/427074721.db2.gz QHBBFLLGGRWQDX-XEGUGMAKSA-N 1 0 322.336 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000276470982 427077427 /nfs/dbraw/zinc/07/74/27/427077427.db2.gz YQMONVKIOAMDAD-GFCCVEGCSA-N 1 0 308.382 2.673 20 5 DFBDRO CCC1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000296161334 427098057 /nfs/dbraw/zinc/09/80/57/427098057.db2.gz HIGGFRTZTYAKBC-CYBMUJFWSA-N 1 0 308.378 2.647 20 5 DFBDRO Cc1cc(C)n(CCC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)n1 ZINC000284021335 427117591 /nfs/dbraw/zinc/11/75/91/427117591.db2.gz IUPCYVNTUVIJCG-CYBMUJFWSA-N 1 0 317.393 2.731 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000182663887 427120489 /nfs/dbraw/zinc/12/04/89/427120489.db2.gz CJHUILIIFIVVJG-CQSZACIVSA-N 1 0 303.406 2.992 20 5 DFBDRO C[C@H]1CN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CC2)C1 ZINC000296244372 427120602 /nfs/dbraw/zinc/12/06/02/427120602.db2.gz KQEHOIXOWWILSU-GFCCVEGCSA-N 1 0 318.377 2.543 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000268815275 427124898 /nfs/dbraw/zinc/12/48/98/427124898.db2.gz IEEFHDOOIKZLEK-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CCN1CC[NH+](C[C@H](C)CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000277204148 427138265 /nfs/dbraw/zinc/13/82/65/427138265.db2.gz YDTITHGIUOEWJU-CQSZACIVSA-N 1 0 320.437 2.589 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)c2ccncc21 ZINC000269277556 427160906 /nfs/dbraw/zinc/16/09/06/427160906.db2.gz JPJNHBWGQNELKN-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000284224623 427159687 /nfs/dbraw/zinc/15/96/87/427159687.db2.gz DATFIGZNXNDWSY-LBPRGKRZSA-N 1 0 308.378 2.949 20 5 DFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000284239911 427162179 /nfs/dbraw/zinc/16/21/79/427162179.db2.gz VOJBALXHGRTQNQ-HUUCEWRRSA-N 1 0 321.333 2.550 20 5 DFBDRO Cc1ccoc1CN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000292297774 427163279 /nfs/dbraw/zinc/16/32/79/427163279.db2.gz MNTPERZGOHXQKH-UHFFFAOYSA-N 1 0 317.345 2.591 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000175282574 271152026 /nfs/dbraw/zinc/15/20/26/271152026.db2.gz UGPCJACTUZGCCU-MRXNPFEDSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000246855663 271261668 /nfs/dbraw/zinc/26/16/68/271261668.db2.gz CTGGYWDODNBCKZ-CABCVRRESA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000270504741 271300077 /nfs/dbraw/zinc/30/00/77/271300077.db2.gz IOPUWZMOIWDRQT-MGPQQGTHSA-N 1 0 319.405 2.515 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282770781 271333849 /nfs/dbraw/zinc/33/38/49/271333849.db2.gz LSKILFPCOPOBJB-DOMZBBRYSA-N 1 0 317.389 2.755 20 5 DFBDRO Cn1cc([C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cn1 ZINC000301307050 271361359 /nfs/dbraw/zinc/36/13/59/271361359.db2.gz ZORQBLPQLVZIGE-CQSZACIVSA-N 1 0 323.784 2.697 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000293114975 427216463 /nfs/dbraw/zinc/21/64/63/427216463.db2.gz RDOVZGXUZZKDGU-INIZCTEOSA-N 1 0 310.369 2.964 20 5 DFBDRO Cn1ccnc1[C@H](NC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277493452 427218528 /nfs/dbraw/zinc/21/85/28/427218528.db2.gz NMNMDLIIKCNBKG-CYBMUJFWSA-N 1 0 322.315 2.805 20 5 DFBDRO CO[C@@]1(C)CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285386144 427218979 /nfs/dbraw/zinc/21/89/79/427218979.db2.gz SJFHIQJIEQELCF-AWEZNQCLSA-N 1 0 300.305 2.874 20 5 DFBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292357145 427178111 /nfs/dbraw/zinc/17/81/11/427178111.db2.gz QDWBEIUHFVFIKN-OAHLLOKOSA-N 1 0 317.433 2.944 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000296477526 427192197 /nfs/dbraw/zinc/19/21/97/427192197.db2.gz YDNZDMWAWPVDAW-XHSDSOJGSA-N 1 0 318.373 2.521 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000292575539 427192776 /nfs/dbraw/zinc/19/27/76/427192776.db2.gz RTCUERWIEHDTBW-CHWSQXEVSA-N 1 0 322.409 2.684 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000285395774 427219757 /nfs/dbraw/zinc/21/97/57/427219757.db2.gz CHENHFPGXSLZPS-CYBMUJFWSA-N 1 0 318.295 2.874 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C(F)F ZINC000338227076 427200686 /nfs/dbraw/zinc/20/06/86/427200686.db2.gz WXFWFLKNNADXKD-SUHUHFCYSA-N 1 0 314.332 2.522 20 5 DFBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000285402460 427219961 /nfs/dbraw/zinc/21/99/61/427219961.db2.gz XEZQZXAPJBRIFK-OAHLLOKOSA-N 1 0 302.378 2.648 20 5 DFBDRO C[C@@H](CCNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183157952 427212932 /nfs/dbraw/zinc/21/29/32/427212932.db2.gz OXEQOPPLLDJWRG-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000190957676 427214724 /nfs/dbraw/zinc/21/47/24/427214724.db2.gz OXFBENFOXGYQIP-PYISVCGKSA-N 1 0 306.362 2.785 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 ZINC000296794471 427235658 /nfs/dbraw/zinc/23/56/58/427235658.db2.gz SZFZXMYYTWVUEQ-VHSXEESVSA-N 1 0 320.374 2.729 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311163 427245822 /nfs/dbraw/zinc/24/58/22/427245822.db2.gz KHEONOMIYUZSDO-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673482 427247086 /nfs/dbraw/zinc/24/70/86/427247086.db2.gz OMFNVTZQCQDECZ-QGZVFWFLSA-N 1 0 318.348 2.942 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686247 427248678 /nfs/dbraw/zinc/24/86/78/427248678.db2.gz ZXOKVEYLEJFDTL-GJZGRUSLSA-N 1 0 310.419 2.702 20 5 DFBDRO C[N@@H+](Cc1cccc(F)c1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269729898 427263976 /nfs/dbraw/zinc/26/39/76/427263976.db2.gz XJNUAQBLJXZTPV-INIZCTEOSA-N 1 0 304.321 2.899 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330569366 427268234 /nfs/dbraw/zinc/26/82/34/427268234.db2.gz MBJYWJHFAJGNMX-OLZOCXBDSA-N 1 0 307.394 2.518 20 5 DFBDRO C[N@H+](CCC(=O)OC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000338356110 427275622 /nfs/dbraw/zinc/27/56/22/427275622.db2.gz OBPTUYYDQALEIW-UHFFFAOYSA-N 1 0 308.378 2.801 20 5 DFBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000183649389 427311352 /nfs/dbraw/zinc/31/13/52/427311352.db2.gz ARZNCHVQKCJUAS-HNNXBMFYSA-N 1 0 320.368 2.787 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000338383415 427291053 /nfs/dbraw/zinc/29/10/53/427291053.db2.gz RLFZQTMEEBIMSD-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO Cc1c(C[N@H+]2CC=C(c3ccnn3C)CC2)cccc1[N+](=O)[O-] ZINC000285632567 427296468 /nfs/dbraw/zinc/29/64/68/427296468.db2.gz NXRCLQNBFSMAIT-UHFFFAOYSA-N 1 0 312.373 2.926 20 5 DFBDRO C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153858 427418550 /nfs/dbraw/zinc/41/85/50/427418550.db2.gz AMXVHRGEWGBIFB-MLGOLLRUSA-N 1 0 300.362 2.847 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000184052977 427380650 /nfs/dbraw/zinc/38/06/50/427380650.db2.gz PKUNAISVHJJHKJ-NVXWUHKLSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cccc1[N+](=O)[O-] ZINC000278012993 427385415 /nfs/dbraw/zinc/38/54/15/427385415.db2.gz SOEPGZHYPOIAQE-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263118307 427415990 /nfs/dbraw/zinc/41/59/90/427415990.db2.gz ATMHKMYNTXYIFX-RVSPLBMKSA-N 1 0 319.405 2.988 20 5 DFBDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293820940 427451590 /nfs/dbraw/zinc/45/15/90/427451590.db2.gz SBNKSEYXKULPKR-NSHDSACASA-N 1 0 321.377 2.513 20 5 DFBDRO CC(=O)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233155 427461124 /nfs/dbraw/zinc/46/11/24/427461124.db2.gz OGARXBIRVSILQB-CJNGLKHVSA-N 1 0 317.389 2.718 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293883401 427476462 /nfs/dbraw/zinc/47/64/62/427476462.db2.gz ISNIQDHVQXQMLF-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293753339 427426164 /nfs/dbraw/zinc/42/61/64/427426164.db2.gz OHBGHBHCJNLSGA-BDJLRTHQSA-N 1 0 301.346 2.561 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271298303 427487299 /nfs/dbraw/zinc/48/72/99/427487299.db2.gz UBWRJGPQLPEMOI-MWLCHTKSSA-N 1 0 316.304 2.853 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000338673916 427433631 /nfs/dbraw/zinc/43/36/31/427433631.db2.gz PIEGJFVFRLOAOL-AWEZNQCLSA-N 1 0 317.389 2.720 20 5 DFBDRO Cc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000271179618 427434120 /nfs/dbraw/zinc/43/41/20/427434120.db2.gz VXWNAIYKLXGZFE-INIZCTEOSA-N 1 0 303.406 2.963 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000297719199 427436217 /nfs/dbraw/zinc/43/62/17/427436217.db2.gz BUBUUXHDCYNRKS-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@]1=O ZINC000286147028 427437330 /nfs/dbraw/zinc/43/73/30/427437330.db2.gz VTIQSBIYCDOUHH-HQHPYACNSA-N 1 0 310.419 2.635 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286156805 427439463 /nfs/dbraw/zinc/43/94/63/427439463.db2.gz JEMMTDHZQODAFP-PBWFPOADSA-N 1 0 317.389 2.600 20 5 DFBDRO CCOC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000286322266 427491390 /nfs/dbraw/zinc/49/13/90/427491390.db2.gz WQOJODZIXHSEGR-CYBMUJFWSA-N 1 0 314.357 2.893 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000332009536 427491495 /nfs/dbraw/zinc/49/14/95/427491495.db2.gz WNJLZJIYQBNVBL-JWDQPFGJSA-N 1 0 320.389 2.518 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184671993 427515048 /nfs/dbraw/zinc/51/50/48/427515048.db2.gz IVHURGLDNOJWQJ-OCCSQVGLSA-N 1 0 308.378 2.503 20 5 DFBDRO CC(=O)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286518789 427537606 /nfs/dbraw/zinc/53/76/06/427537606.db2.gz ZLMUVMVZURCMRP-DOMZBBRYSA-N 1 0 317.389 2.860 20 5 DFBDRO CCCC(=O)N[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263700717 427544014 /nfs/dbraw/zinc/54/40/14/427544014.db2.gz NOVBBMQMUZPAQB-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000339003941 427617400 /nfs/dbraw/zinc/61/74/00/427617400.db2.gz OXFAINOCZBXKFP-WDEREUQCSA-N 1 0 323.422 2.979 20 5 DFBDRO C[C@@H](c1ccccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332458100 427619103 /nfs/dbraw/zinc/61/91/03/427619103.db2.gz PEDABENLSCDFIA-LBPRGKRZSA-N 1 0 301.350 2.584 20 5 DFBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000192839522 427620852 /nfs/dbraw/zinc/62/08/52/427620852.db2.gz IPMSIERORKSLOV-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000341764477 271892703 /nfs/dbraw/zinc/89/27/03/271892703.db2.gz BDYPZABSHARJHG-UHFFFAOYSA-N 1 0 321.421 2.721 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCCNc1ccccn1 ZINC000192558165 427563100 /nfs/dbraw/zinc/56/31/00/427563100.db2.gz MWXVFYCIDWLNPI-UHFFFAOYSA-N 1 0 318.381 2.819 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000287266644 427564344 /nfs/dbraw/zinc/56/43/44/427564344.db2.gz SDVQVSYSSFSISX-BBRMVZONSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332290754 427570660 /nfs/dbraw/zinc/57/06/60/427570660.db2.gz JIZYLFLQKZNXJB-DGCLKSJQSA-N 1 0 301.350 2.654 20 5 DFBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629636 427578173 /nfs/dbraw/zinc/57/81/73/427578173.db2.gz SZQDZKLWCNHLFS-FZMZJTMJSA-N 1 0 305.378 2.704 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192633943 427578230 /nfs/dbraw/zinc/57/82/30/427578230.db2.gz HIEBUGREHSLFIQ-AWEZNQCLSA-N 1 0 321.425 2.796 20 5 DFBDRO COCCO[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000338951827 427585045 /nfs/dbraw/zinc/58/50/45/427585045.db2.gz CHWQATXZEIJRTK-IEXSPKMKSA-N 1 0 320.389 2.735 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CCO)c2ccco2)cc1 ZINC000185084076 427591499 /nfs/dbraw/zinc/59/14/99/427591499.db2.gz XZOBDLBIXYZERG-OAHLLOKOSA-N 1 0 320.345 2.670 20 5 DFBDRO Cc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000298422530 427603691 /nfs/dbraw/zinc/60/36/91/427603691.db2.gz XVFDXCYBKAJFHH-UHFFFAOYSA-N 1 0 315.373 2.505 20 5 DFBDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332407540 427603801 /nfs/dbraw/zinc/60/38/01/427603801.db2.gz YWZZENBDPGLBRA-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332407538 427604247 /nfs/dbraw/zinc/60/42/47/427604247.db2.gz YWZZENBDPGLBRA-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(c1cc(N)ccc1[N+](=O)[O-])C2 ZINC000192797020 427610927 /nfs/dbraw/zinc/61/09/27/427610927.db2.gz BJKFKQBMJZVODG-UONOGXRCSA-N 1 0 304.394 2.629 20 5 DFBDRO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000192850528 427624365 /nfs/dbraw/zinc/62/43/65/427624365.db2.gz ALXOLHFEVMULOB-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000298485356 427626131 /nfs/dbraw/zinc/62/61/31/427626131.db2.gz GYMVGEVCNOEOST-OLZOCXBDSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000264024829 427636704 /nfs/dbraw/zinc/63/67/04/427636704.db2.gz XYOHZCSLOQOYJF-RDJZCZTQSA-N 1 0 320.389 2.599 20 5 DFBDRO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294570561 427646476 /nfs/dbraw/zinc/64/64/76/427646476.db2.gz BXTZUGKUVRRBSU-SLEUVZQESA-N 1 0 306.410 2.556 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279348872 427647897 /nfs/dbraw/zinc/64/78/97/427647897.db2.gz VIYBBEUJLPOWLP-GXFFZTMASA-N 1 0 302.334 2.923 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279373819 427653665 /nfs/dbraw/zinc/65/36/65/427653665.db2.gz XHPSWTVJOLCNEC-MCIONIFRSA-N 1 0 308.378 2.503 20 5 DFBDRO O=C(NCCC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000294758057 427655473 /nfs/dbraw/zinc/65/54/73/427655473.db2.gz DTEWQDNUXIRLEL-NSHDSACASA-N 1 0 311.769 2.510 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C3CC3)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000279378115 427655627 /nfs/dbraw/zinc/65/56/27/427655627.db2.gz SLNOFFNVNFJGIN-SJCJKPOMSA-N 1 0 320.389 2.993 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)Cc1ccoc1 ZINC000342629571 272032596 /nfs/dbraw/zinc/03/25/96/272032596.db2.gz HQSHJEBAUXQEFZ-LLVKDONJSA-N 1 0 303.318 2.647 20 5 DFBDRO COc1ccc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000342718125 272045486 /nfs/dbraw/zinc/04/54/86/272045486.db2.gz BWSYXLFMACUVKN-AWEZNQCLSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294990775 427669519 /nfs/dbraw/zinc/66/95/19/427669519.db2.gz QNFAOBIOZHXGTI-LLVKDONJSA-N 1 0 323.368 2.663 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342934860 272069276 /nfs/dbraw/zinc/06/92/76/272069276.db2.gz PCIMMBDQWJRFNI-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO CCc1ccc([C@H](COC)NCc2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000339082670 427666466 /nfs/dbraw/zinc/66/64/66/427666466.db2.gz BPIBDXLSQGZSFM-AWEZNQCLSA-N 1 0 320.345 2.933 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000343245838 272103220 /nfs/dbraw/zinc/10/32/20/272103220.db2.gz CTOOOWKCADIYCJ-JQWIXIFHSA-N 1 0 321.381 2.771 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000343600113 272179760 /nfs/dbraw/zinc/17/97/60/272179760.db2.gz JLYYNGHAIAXINQ-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO C[N@@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000343719464 272208003 /nfs/dbraw/zinc/20/80/03/272208003.db2.gz DIRAOOOIGSSWES-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343888965 272232192 /nfs/dbraw/zinc/23/21/92/272232192.db2.gz VQLNQHFMRKNPCX-LSDHHAIUSA-N 1 0 322.405 2.954 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937641 272240362 /nfs/dbraw/zinc/24/03/62/272240362.db2.gz STBDTBIAPOMHEM-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344172977 272279391 /nfs/dbraw/zinc/27/93/91/272279391.db2.gz PIYNHUQCCCLSAV-DAXOMENPSA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344183974 272282617 /nfs/dbraw/zinc/28/26/17/272282617.db2.gz XVSYJEZJXRGUQJ-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000344207344 272287750 /nfs/dbraw/zinc/28/77/50/272287750.db2.gz GLDPRFTZTLUPAF-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344331347 272314412 /nfs/dbraw/zinc/31/44/12/272314412.db2.gz WSGXWQMESVPROX-AWEZNQCLSA-N 1 0 304.346 2.925 20 5 DFBDRO CC/C=C/CN[C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000295117528 427699131 /nfs/dbraw/zinc/69/91/31/427699131.db2.gz WXPRILCGIBHXKV-MBVDDHJVSA-N 1 0 300.362 2.974 20 5 DFBDRO CCC[NH+]1CCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000185839568 427715916 /nfs/dbraw/zinc/71/59/16/427715916.db2.gz DSRMWELAWZEAAP-BUHFOSPRSA-N 1 0 317.389 2.552 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCCC[NH2+]Cc1cccnc1 ZINC000336852962 427759305 /nfs/dbraw/zinc/75/93/05/427759305.db2.gz BJBDMMATFGICKH-UHFFFAOYSA-N 1 0 321.768 2.630 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000336859819 427763758 /nfs/dbraw/zinc/76/37/58/427763758.db2.gz LENPLXHUWFBZFA-ZDUSSCGKSA-N 1 0 302.378 2.953 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868552 427767916 /nfs/dbraw/zinc/76/79/16/427767916.db2.gz XFNBYRBKAAUXRW-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@H]1C[NH+](CCCNc2cccc(F)c2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301072065 427773349 /nfs/dbraw/zinc/77/33/49/427773349.db2.gz FXFZESNEURSQSY-VXGBXAGGSA-N 1 0 311.357 2.645 20 5 DFBDRO CCc1cc(NCC[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301101029 427775906 /nfs/dbraw/zinc/77/59/06/427775906.db2.gz RGNKSUAVEATEOI-UHFFFAOYSA-N 1 0 315.377 2.588 20 5 DFBDRO COC(=O)c1cc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000301128233 427776771 /nfs/dbraw/zinc/77/67/71/427776771.db2.gz XWXLOHXYJWLDSP-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO Cn1cc([C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])[NH+](C)C)cn1 ZINC000301256962 427785094 /nfs/dbraw/zinc/78/50/94/427785094.db2.gz BRDPEMMYJDNWSJ-CQSZACIVSA-N 1 0 323.784 2.697 20 5 DFBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000334005544 427726547 /nfs/dbraw/zinc/72/65/47/427726547.db2.gz GIOYLVUGOOVEAF-MCIONIFRSA-N 1 0 319.405 2.691 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000185904581 427726942 /nfs/dbraw/zinc/72/69/42/427726942.db2.gz IRUXIXRBIFHJHN-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CC1=CC[N@H+](CCNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000339208758 427731967 /nfs/dbraw/zinc/73/19/67/427731967.db2.gz OGWOPQPZYLVBEM-UHFFFAOYSA-N 1 0 323.780 2.630 20 5 DFBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000186042544 427743110 /nfs/dbraw/zinc/74/31/10/427743110.db2.gz GOYFEAKXNDWPQC-QGZVFWFLSA-N 1 0 314.389 2.889 20 5 DFBDRO C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])C[NH+](C)C ZINC000336793779 427751698 /nfs/dbraw/zinc/75/16/98/427751698.db2.gz YICINDXXXSTGQD-VIFPVBQESA-N 1 0 316.199 2.967 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301462300 427797793 /nfs/dbraw/zinc/79/77/93/427797793.db2.gz FFZXVXAYTQYRLP-QRTARXTBSA-N 1 0 301.390 2.824 20 5 DFBDRO COC(=O)c1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301576215 427807593 /nfs/dbraw/zinc/80/75/93/427807593.db2.gz MFTRYSUUBODCBZ-WCQYABFASA-N 1 0 321.377 2.666 20 5 DFBDRO Cc1cccc(C(=O)NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000345871008 272547223 /nfs/dbraw/zinc/54/72/23/272547223.db2.gz DNVSJISNGNZKOV-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339704942 427815433 /nfs/dbraw/zinc/81/54/33/427815433.db2.gz SFCCCVQOMWRXEP-KRWDZBQOSA-N 1 0 322.405 2.834 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000301738914 427820026 /nfs/dbraw/zinc/82/00/26/427820026.db2.gz JHTQBYDMPFZKSC-GFCCVEGCSA-N 1 0 310.785 2.708 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000359413158 427841927 /nfs/dbraw/zinc/84/19/27/427841927.db2.gz OZFOGNDMZRTOFG-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO O=C(NCC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000337357204 427864121 /nfs/dbraw/zinc/86/41/21/427864121.db2.gz FQVPKEVGSBYEQF-UHFFFAOYSA-N 1 0 306.366 2.592 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@]3(CCCOC3)C2)c1 ZINC000355733414 427866020 /nfs/dbraw/zinc/86/60/20/427866020.db2.gz AIJRJRNPFMPZTD-QGZVFWFLSA-N 1 0 320.389 2.866 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000355740869 427870423 /nfs/dbraw/zinc/87/04/23/427870423.db2.gz BPDRDZZWUGACRJ-KRWDZBQOSA-N 1 0 322.405 2.976 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000337375897 427872453 /nfs/dbraw/zinc/87/24/53/427872453.db2.gz BCLGJBPSEHEJAV-OAHLLOKOSA-N 1 0 306.341 2.917 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302822703 427875662 /nfs/dbraw/zinc/87/56/62/427875662.db2.gz FFISCICSSSGCCR-LBPRGKRZSA-N 1 0 304.394 2.849 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339935503 427879954 /nfs/dbraw/zinc/87/99/54/427879954.db2.gz IBLMVLIYRWELTB-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000304254748 427921221 /nfs/dbraw/zinc/92/12/21/427921221.db2.gz BGQXBPBXAVUQIH-HNNXBMFYSA-N 1 0 308.378 2.597 20 5 DFBDRO C[N@H+]1CC=C(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413220580 427994032 /nfs/dbraw/zinc/99/40/32/427994032.db2.gz GTSBPNKLBHUPGC-UHFFFAOYSA-N 1 0 316.283 2.682 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000355872115 427930384 /nfs/dbraw/zinc/93/03/84/427930384.db2.gz JBGVZUJLHQZXJR-UHFFFAOYSA-N 1 0 321.421 2.715 20 5 DFBDRO Cc1ccc(C(=O)NCCC[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000345893205 427940747 /nfs/dbraw/zinc/94/07/47/427940747.db2.gz YBLAGHIDMHUUEG-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347254220 272757879 /nfs/dbraw/zinc/75/78/79/272757879.db2.gz GTOSTBYUNIVEAJ-UHFFFAOYSA-N 1 0 312.345 2.587 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000340883345 427944612 /nfs/dbraw/zinc/94/46/12/427944612.db2.gz VPWVSTPNBYVBHG-INIZCTEOSA-N 1 0 305.378 2.574 20 5 DFBDRO CC(C)(C)C1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cn2)CC1 ZINC000346106877 428021474 /nfs/dbraw/zinc/02/14/74/428021474.db2.gz ULESYPNJGPGHIX-UHFFFAOYSA-N 1 0 304.394 3.080 20 5 DFBDRO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346133310 428032790 /nfs/dbraw/zinc/03/27/90/428032790.db2.gz QRUQWTAXQQHJJH-GFCCVEGCSA-N 1 0 301.346 2.778 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000377179785 428079821 /nfs/dbraw/zinc/07/98/21/428079821.db2.gz PMORSCUBOOKOJN-IUODEOHRSA-N 1 0 317.389 2.860 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369886977 428083438 /nfs/dbraw/zinc/08/34/38/428083438.db2.gz IGABZRNWZIKMAG-IAQYHMDHSA-N 1 0 312.373 2.901 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H](OCC2CC2)C1 ZINC000377212284 428086619 /nfs/dbraw/zinc/08/66/19/428086619.db2.gz ADQXKIKMAUAKKQ-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000341542399 428098849 /nfs/dbraw/zinc/09/88/49/428098849.db2.gz JQXHAGYXAKFVCY-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO Cc1ccccc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369971575 428099285 /nfs/dbraw/zinc/09/92/85/428099285.db2.gz BLHPAAZTJWHHJP-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1c(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017595 428111724 /nfs/dbraw/zinc/11/17/24/428111724.db2.gz KPNPSPVQLSTTLO-OLZOCXBDSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046232 428117726 /nfs/dbraw/zinc/11/77/26/428117726.db2.gz QHYIKHQQYIMRLD-PWSUYJOCSA-N 1 0 306.391 2.768 20 5 DFBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044569 428119402 /nfs/dbraw/zinc/11/94/02/428119402.db2.gz FBVKUARQRZSLAA-WCQYABFASA-N 1 0 318.352 2.845 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352357540 428133221 /nfs/dbraw/zinc/13/32/21/428133221.db2.gz RWVKHPPSHQEWKS-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO COc1cc(C[N@H+](C)CCC2CCOCC2)ccc1[N+](=O)[O-] ZINC000352540779 428141749 /nfs/dbraw/zinc/14/17/49/428141749.db2.gz PJVNEUIYTNKLLL-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539659 428141809 /nfs/dbraw/zinc/14/18/09/428141809.db2.gz BNFBKRWEBUFGFW-TZMCWYRMSA-N 1 0 307.394 2.518 20 5 DFBDRO CCc1nc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000377502334 428142189 /nfs/dbraw/zinc/14/21/89/428142189.db2.gz MALUQHKHMMMVEC-CYBMUJFWSA-N 1 0 316.361 2.920 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000346461512 428182123 /nfs/dbraw/zinc/18/21/23/428182123.db2.gz SILCGZLOCWFUNG-OLZOCXBDSA-N 1 0 320.393 2.850 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CCn2ccnc2C1 ZINC000377677426 428190409 /nfs/dbraw/zinc/19/04/09/428190409.db2.gz MYNSDUGAGRJKCU-CYBMUJFWSA-N 1 0 318.352 2.625 20 5 DFBDRO CCN1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353950 428266011 /nfs/dbraw/zinc/26/60/11/428266011.db2.gz ZRFZQDOAXXOVKL-JKSUJKDBSA-N 1 0 303.406 2.600 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@@H]1C ZINC000346671896 428266593 /nfs/dbraw/zinc/26/65/93/428266593.db2.gz WCGJCEWEBRTIAO-YRGRVCCFSA-N 1 0 306.362 2.848 20 5 DFBDRO C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1c1ccccc1 ZINC000377945635 428269655 /nfs/dbraw/zinc/26/96/55/428269655.db2.gz PVSKZOAPFULJRQ-YOEHRIQHSA-N 1 0 314.389 2.917 20 5 DFBDRO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950032 428269852 /nfs/dbraw/zinc/26/98/52/428269852.db2.gz UQPKRWVOYGIJCL-YPMHNXCESA-N 1 0 306.391 2.731 20 5 DFBDRO CCCN(CCOc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCC1 ZINC000352878775 428292961 /nfs/dbraw/zinc/29/29/61/428292961.db2.gz UOOANTCYSDFZPV-UHFFFAOYSA-N 1 0 321.421 2.781 20 5 DFBDRO [NH3+]C1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000346656677 428258285 /nfs/dbraw/zinc/25/82/85/428258285.db2.gz QAVXVYHDUNOOPM-UHFFFAOYSA-N 1 0 301.346 2.778 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131869 428316448 /nfs/dbraw/zinc/31/64/48/428316448.db2.gz GTCNNCUVNYUPCR-ZIAGYGMSSA-N 1 0 304.394 2.751 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2Cn2cncn2)ccc1Cl ZINC000378169990 428325656 /nfs/dbraw/zinc/32/56/56/428325656.db2.gz PFXLPHIVSADTRQ-LBPRGKRZSA-N 1 0 321.768 2.504 20 5 DFBDRO COc1cc(C[NH2+]CC(C)(C)OCC2CC2)c([N+](=O)[O-])cc1O ZINC000414515288 428326423 /nfs/dbraw/zinc/32/64/23/428326423.db2.gz LSRSCZYPYSPFHE-UHFFFAOYSA-N 1 0 324.377 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)[C@@H](O)C(C)C ZINC000414526442 428330408 /nfs/dbraw/zinc/33/04/08/428330408.db2.gz LICQGSVVWBOCES-ZBFHGGJFSA-N 1 0 310.394 2.879 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(OC)CC1 ZINC000342175913 428335684 /nfs/dbraw/zinc/33/56/84/428335684.db2.gz JQXKGBHWHKIZGJ-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000360536317 428338460 /nfs/dbraw/zinc/33/84/60/428338460.db2.gz JKEJNLALODNUFI-CYBMUJFWSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@H](CN(C)C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000342198269 428346755 /nfs/dbraw/zinc/34/67/55/428346755.db2.gz CQQYEYSGPZGLMP-GFCCVEGCSA-N 1 0 303.362 2.895 20 5 DFBDRO CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)NCc1c[nH]cn1 ZINC000342101910 428301462 /nfs/dbraw/zinc/30/14/62/428301462.db2.gz XWFIMCDIRSZVHZ-UHFFFAOYSA-N 1 0 320.374 2.748 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000342301576 428391588 /nfs/dbraw/zinc/39/15/88/428391588.db2.gz DVDWBKUGVCUVIK-OAHLLOKOSA-N 1 0 318.348 2.736 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)OCCO)cc1[N+](=O)[O-] ZINC000342318425 428400393 /nfs/dbraw/zinc/40/03/93/428400393.db2.gz ZVWWVWGAUSKVNG-UHFFFAOYSA-N 1 0 310.394 2.595 20 5 DFBDRO Cc1c(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000357155488 428411929 /nfs/dbraw/zinc/41/19/29/428411929.db2.gz GCZBRFIDJSJTMD-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000353030058 428360423 /nfs/dbraw/zinc/36/04/23/428360423.db2.gz RPDBSNICXMYNNE-NSHDSACASA-N 1 0 316.304 2.665 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C2 ZINC000353028032 428361501 /nfs/dbraw/zinc/36/15/01/428361501.db2.gz YXMYJMCPBDYXOK-UHFFFAOYSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000342235143 428362826 /nfs/dbraw/zinc/36/28/26/428362826.db2.gz QBQJWDHJYSGVHZ-QGZVFWFLSA-N 1 0 300.358 2.635 20 5 DFBDRO O=C(CC[NH+]1CCC2(CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000378329855 428364940 /nfs/dbraw/zinc/36/49/40/428364940.db2.gz ZGWRGTBZRCZFLS-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000414655848 428364911 /nfs/dbraw/zinc/36/49/11/428364911.db2.gz HQDQTNINIMRFFP-FZMZJTMJSA-N 1 0 306.366 2.637 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnn(C)c1 ZINC000353042975 428366707 /nfs/dbraw/zinc/36/67/07/428366707.db2.gz QLYAOPDHJNBXNO-SNVBAGLBSA-N 1 0 308.769 2.875 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000342247287 428367838 /nfs/dbraw/zinc/36/78/38/428367838.db2.gz JUFAUDQJXCEZML-LBPRGKRZSA-N 1 0 317.345 2.555 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000414663490 428368152 /nfs/dbraw/zinc/36/81/52/428368152.db2.gz SFPMMVQMBHBFOW-OAHLLOKOSA-N 1 0 308.382 2.788 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000414656211 428368483 /nfs/dbraw/zinc/36/84/83/428368483.db2.gz IACWKUKAAMEDEB-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000360620351 428370181 /nfs/dbraw/zinc/37/01/81/428370181.db2.gz OOKBBPYEGKSVNK-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000378368421 428380081 /nfs/dbraw/zinc/38/00/81/428380081.db2.gz HKMAUJKTJFSZBH-CYBMUJFWSA-N 1 0 306.362 2.534 20 5 DFBDRO Cc1c(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000414702076 428380571 /nfs/dbraw/zinc/38/05/71/428380571.db2.gz LMNOMWGQXZEJDU-AWEZNQCLSA-N 1 0 320.393 2.803 20 5 DFBDRO CNC(=O)C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000360772661 428434067 /nfs/dbraw/zinc/43/40/67/428434067.db2.gz NNTJNFJLZXJZQL-MRXNPFEDSA-N 1 0 313.357 2.562 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@@H]3CCC[NH2+]C3)cs2)c1 ZINC000414860667 428435154 /nfs/dbraw/zinc/43/51/54/428435154.db2.gz CWOUPZWCDSEDER-GFCCVEGCSA-N 1 0 318.402 2.560 20 5 DFBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347093039 428441413 /nfs/dbraw/zinc/44/14/13/428441413.db2.gz GOEFKTINBCNDBA-CQSZACIVSA-N 1 0 301.346 2.778 20 5 DFBDRO Cc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000372416796 428445968 /nfs/dbraw/zinc/44/59/68/428445968.db2.gz RFDMOADSRJHBNX-JKSUJKDBSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cccc([C@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000378642355 428446776 /nfs/dbraw/zinc/44/67/76/428446776.db2.gz FRPPSYZUYYKHPO-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347113913 428451237 /nfs/dbraw/zinc/45/12/37/428451237.db2.gz SNYJOYJOZUHUII-VZQPHXTPSA-N 1 0 301.390 2.823 20 5 DFBDRO [NH3+]C[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414796735 428415159 /nfs/dbraw/zinc/41/51/59/428415159.db2.gz HZOZWMYZCHSGKP-HNNXBMFYSA-N 1 0 301.346 2.682 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000414998360 428486488 /nfs/dbraw/zinc/48/64/88/428486488.db2.gz IUMUEVBEEPYMMA-BXUZGUMPSA-N 1 0 313.348 2.503 20 5 DFBDRO C[NH+](C)[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccco1 ZINC000277708721 273815601 /nfs/dbraw/zinc/81/56/01/273815601.db2.gz GAEKPWRERMVEQL-CYBMUJFWSA-N 1 0 315.333 2.779 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353357170 428500812 /nfs/dbraw/zinc/50/08/12/428500812.db2.gz WSNYINGKMYETGB-INIZCTEOSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cccc(N2CC[NH+]([C@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000372948684 428508232 /nfs/dbraw/zinc/50/82/32/428508232.db2.gz LYWLMAQMUFDNRB-ZDUSSCGKSA-N 1 0 307.419 2.531 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000373077600 428513727 /nfs/dbraw/zinc/51/37/27/428513727.db2.gz CMSFEBYYLAPINO-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000347256405 428514285 /nfs/dbraw/zinc/51/42/85/428514285.db2.gz GVDHOZCMPBWGMS-MNOVXSKESA-N 1 0 324.356 2.680 20 5 DFBDRO C[C@H](CCNc1ccncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000360991390 428526141 /nfs/dbraw/zinc/52/61/41/428526141.db2.gz SNFNHAOAPYYZFY-CQSZACIVSA-N 1 0 314.389 2.734 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373247618 428526462 /nfs/dbraw/zinc/52/64/62/428526462.db2.gz RPSUUDRGNBECDC-QGZVFWFLSA-N 1 0 320.389 2.729 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347285225 428529408 /nfs/dbraw/zinc/52/94/08/428529408.db2.gz LVTDZVYPMKZMHZ-ZDUSSCGKSA-N 1 0 324.356 2.682 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965825 428475160 /nfs/dbraw/zinc/47/51/60/428475160.db2.gz WABVCPCULPDRRO-BLLLJJGKSA-N 1 0 315.373 2.942 20 5 DFBDRO CC[C@@H]([NH3+])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414977425 428478381 /nfs/dbraw/zinc/47/83/81/428478381.db2.gz JYUIBESIVFYAKG-LLVKDONJSA-N 1 0 306.391 2.545 20 5 DFBDRO Cc1cc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000415442058 428580835 /nfs/dbraw/zinc/58/08/35/428580835.db2.gz SQLBTEJFLBWCCT-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC(OCC)C1 ZINC000347447228 428582138 /nfs/dbraw/zinc/58/21/38/428582138.db2.gz IEEJRPCBTALZBP-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415480230 428586894 /nfs/dbraw/zinc/58/68/94/428586894.db2.gz HBCMDDJRQIJRGJ-GWCFXTLKSA-N 1 0 320.393 2.660 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000358244043 428590103 /nfs/dbraw/zinc/59/01/03/428590103.db2.gz YGHIYVPSHFJRII-ZHAHWJHGSA-N 1 0 306.284 2.947 20 5 DFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000353451973 428543901 /nfs/dbraw/zinc/54/39/01/428543901.db2.gz UGGQFCJINPZOIC-AWEZNQCLSA-N 1 0 314.389 3.312 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293065 428563777 /nfs/dbraw/zinc/56/37/77/428563777.db2.gz IBDWMZCUZCZYKE-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415306875 428565065 /nfs/dbraw/zinc/56/50/65/428565065.db2.gz YPJAOISQHVEIKB-OLZOCXBDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415303002 428565627 /nfs/dbraw/zinc/56/56/27/428565627.db2.gz UMDKIEBQAFSPDI-INIZCTEOSA-N 1 0 320.393 2.723 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000373530159 428597876 /nfs/dbraw/zinc/59/78/76/428597876.db2.gz OTWVLFBUOVCAHM-GXTWGEPZSA-N 1 0 317.389 2.860 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000373530166 428598740 /nfs/dbraw/zinc/59/87/40/428598740.db2.gz OTWVLFBUOVCAHM-TZMCWYRMSA-N 1 0 317.389 2.860 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415578922 428599351 /nfs/dbraw/zinc/59/93/51/428599351.db2.gz JHYZFASBCPHQQA-OLZOCXBDSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415576100 428599508 /nfs/dbraw/zinc/59/95/08/428599508.db2.gz FVNIVIWTRIYLJL-STQMWFEESA-N 1 0 320.393 2.721 20 5 DFBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000347564407 428606930 /nfs/dbraw/zinc/60/69/30/428606930.db2.gz UJGGEDUBMKZNCZ-HNNXBMFYSA-N 1 0 318.377 2.883 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627900 428607003 /nfs/dbraw/zinc/60/70/03/428607003.db2.gz DBVVVWYATZBDOE-CYBMUJFWSA-N 1 0 312.345 2.571 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408171471 428613239 /nfs/dbraw/zinc/61/32/39/428613239.db2.gz JZAYLAYODJFHIT-ZIAGYGMSSA-N 1 0 304.394 2.670 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000353610579 428620643 /nfs/dbraw/zinc/62/06/43/428620643.db2.gz WXXYGGBWAUCSKB-CYBMUJFWSA-N 1 0 315.373 2.991 20 5 DFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000287560643 274024689 /nfs/dbraw/zinc/02/46/89/274024689.db2.gz WVLBRKGOQKPWRJ-UHFFFAOYSA-N 1 0 315.373 2.681 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000408306353 428638550 /nfs/dbraw/zinc/63/85/50/428638550.db2.gz CORNUJDWGSRSKJ-OLZOCXBDSA-N 1 0 320.393 2.768 20 5 DFBDRO COCC[C@@H](COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353651915 428641055 /nfs/dbraw/zinc/64/10/55/428641055.db2.gz UZBSSXBKXDRZOP-BBRMVZONSA-N 1 0 308.378 2.613 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000373735363 428641546 /nfs/dbraw/zinc/64/15/46/428641546.db2.gz GYSOMMJLXIPUCS-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000373746348 428645057 /nfs/dbraw/zinc/64/50/57/428645057.db2.gz NXFNPKFPJNDWFM-KGLIPLIRSA-N 1 0 307.369 2.793 20 5 DFBDRO CS[C@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000357465069 274186324 /nfs/dbraw/zinc/18/63/24/274186324.db2.gz WWCQRHILTOYLMG-CABCVRRESA-N 1 0 321.446 2.919 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000174010353 274314440 /nfs/dbraw/zinc/31/44/40/274314440.db2.gz BMIBANWEPMOYJI-OLZOCXBDSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1nc2cc(Cn3cc([N+](=O)[O-])cc(Cl)c3=O)ccc2[nH]1 ZINC000358861171 428707728 /nfs/dbraw/zinc/70/77/28/428707728.db2.gz MZBQTRQPSYWGNS-UHFFFAOYSA-N 1 0 318.720 2.643 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353793487 428716985 /nfs/dbraw/zinc/71/69/85/428716985.db2.gz JURCTMIMRIIUSG-HZUKXOBISA-N 1 0 319.405 2.939 20 5 DFBDRO CC[C@@]1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000362389617 428729521 /nfs/dbraw/zinc/72/95/21/428729521.db2.gz BMYDTTPYSDNHDF-RDJZCZTQSA-N 1 0 322.405 2.847 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000353745113 428690211 /nfs/dbraw/zinc/69/02/11/428690211.db2.gz GZGHVZNUMXXNBI-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO Cn1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353895585 428767445 /nfs/dbraw/zinc/76/74/45/428767445.db2.gz COLCBODUVWYQFE-CZUORRHYSA-N 1 0 312.373 2.980 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCc2nccn2C1 ZINC000374863940 428768874 /nfs/dbraw/zinc/76/88/74/428768874.db2.gz PTBHMLXUWBPBSN-CYBMUJFWSA-N 1 0 318.352 2.625 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000353901394 428769149 /nfs/dbraw/zinc/76/91/49/428769149.db2.gz HJUSQMWSEAYDTJ-LBPRGKRZSA-N 1 0 320.393 2.621 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CCC1 ZINC000411301912 428777519 /nfs/dbraw/zinc/77/75/19/428777519.db2.gz ZVFSLIHNKHPNSI-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@H](C4CC4)C3)n2)c1 ZINC000362413520 428736431 /nfs/dbraw/zinc/73/64/31/428736431.db2.gz MQSJZYMKSKVXRE-ZDUSSCGKSA-N 1 0 314.345 2.877 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)c1 ZINC000374768400 428748332 /nfs/dbraw/zinc/74/83/32/428748332.db2.gz RPCMZUHRYGXACK-ROJDOSBLSA-N 1 0 312.373 2.969 20 5 DFBDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000362964697 428826759 /nfs/dbraw/zinc/82/67/59/428826759.db2.gz WNHBMSYHVQWKNP-HNNXBMFYSA-N 1 0 307.394 2.578 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000345279625 428827009 /nfs/dbraw/zinc/82/70/09/428827009.db2.gz VXDPLHZASNIDSE-CHWSQXEVSA-N 1 0 320.393 2.816 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000375279151 428839281 /nfs/dbraw/zinc/83/92/81/428839281.db2.gz MXDHQAXTBGJFKB-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO Cc1ccc(CCCN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348936710 428879861 /nfs/dbraw/zinc/87/98/61/428879861.db2.gz TYGGPSMJZAHKEQ-UHFFFAOYSA-N 1 0 314.389 2.696 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000345428469 428883935 /nfs/dbraw/zinc/88/39/35/428883935.db2.gz OEPKESZQCZNDNU-LBPRGKRZSA-N 1 0 320.393 2.770 20 5 DFBDRO CO[C@](C)([C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411942904 428889776 /nfs/dbraw/zinc/88/97/76/428889776.db2.gz IOLODOJUCSHJNQ-MLGOLLRUSA-N 1 0 308.378 2.767 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219762 428923947 /nfs/dbraw/zinc/92/39/47/428923947.db2.gz DGFHYXPPBFQXQR-LSDHHAIUSA-N 1 0 321.421 2.778 20 5 DFBDRO Cc1cc(N2CC[NH+]([C@@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000378180799 274707759 /nfs/dbraw/zinc/70/77/59/274707759.db2.gz BBKZWVKTXXFXDC-CQSZACIVSA-N 1 0 307.419 2.531 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@@H]1O ZINC000375664771 428935766 /nfs/dbraw/zinc/93/57/66/428935766.db2.gz JOPJDMFSNIJKNZ-ROUUACIJSA-N 1 0 312.369 2.727 20 5 DFBDRO [NH3+]C[C@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C1CCCCC1 ZINC000420182666 428948374 /nfs/dbraw/zinc/94/83/74/428948374.db2.gz GOMGVYQMOBUUOH-INIZCTEOSA-N 1 0 314.389 3.463 20 5 DFBDRO CC(C)c1ccc([C@H]([NH3+])CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000420220167 428949957 /nfs/dbraw/zinc/94/99/57/428949957.db2.gz PJNLZOWFDLHRFN-GFCCVEGCSA-N 1 0 306.391 3.287 20 5 DFBDRO CCC[NH2+]CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420217603 428950933 /nfs/dbraw/zinc/95/09/33/428950933.db2.gz OAJVISQTRVKMCV-UHFFFAOYSA-N 1 0 306.391 3.130 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000363621346 428955836 /nfs/dbraw/zinc/95/58/36/428955836.db2.gz ATIITVMOUQZHAG-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420278854 428956145 /nfs/dbraw/zinc/95/61/45/428956145.db2.gz SAPILIDZCRNBSH-PWSUYJOCSA-N 1 0 318.402 3.258 20 5 DFBDRO CCc1nn(C)c(NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354323957 428968074 /nfs/dbraw/zinc/96/80/74/428968074.db2.gz ISGOEAXKFGGKEZ-RYUDHWBXSA-N 1 0 309.414 2.566 20 5 DFBDRO CC[N@H+](CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C)C(C)C ZINC000421767326 429028887 /nfs/dbraw/zinc/02/88/87/429028887.db2.gz AMEQWRHSVWIMHG-UHFFFAOYSA-N 1 0 307.394 2.672 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808616 428980822 /nfs/dbraw/zinc/98/08/22/428980822.db2.gz DCNYQRXJSIONCI-SJORKVTESA-N 1 0 303.406 2.696 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[N@H+](C)C1CC1 ZINC000349410424 428986003 /nfs/dbraw/zinc/98/60/03/428986003.db2.gz TZNVQBCJPCNSPJ-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000433061152 428988673 /nfs/dbraw/zinc/98/86/73/428988673.db2.gz JEUADCPYUWRIFM-HNNXBMFYSA-N 1 0 300.362 2.671 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000433060429 428989467 /nfs/dbraw/zinc/98/94/67/428989467.db2.gz YLDIZFRQZADILL-SGALNCENSA-N 1 0 320.389 2.503 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)CCCC[NH3+] ZINC000423702790 428999913 /nfs/dbraw/zinc/99/99/13/428999913.db2.gz YZBGKYMDTPZHAX-LBPRGKRZSA-N 1 0 307.394 2.767 20 5 DFBDRO COC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452094274 429057279 /nfs/dbraw/zinc/05/72/79/429057279.db2.gz WCBMEWKBABPMSR-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000452135697 429069485 /nfs/dbraw/zinc/06/94/85/429069485.db2.gz WIFPGFUNLLRDCO-AWEZNQCLSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423398975 429081914 /nfs/dbraw/zinc/08/19/14/429081914.db2.gz VRVSGAXZLQAZMO-CZUORRHYSA-N 1 0 305.422 2.894 20 5 DFBDRO CC[N@@H+]1CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413139559 429146963 /nfs/dbraw/zinc/14/69/63/429146963.db2.gz QRCADNBBGWARDO-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000435594377 429150401 /nfs/dbraw/zinc/15/04/01/429150401.db2.gz QVGFZVGQNOXKTC-AWEZNQCLSA-N 1 0 304.394 3.199 20 5 DFBDRO Cc1nc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)ccc1[N+](=O)[O-] ZINC000435585337 429150642 /nfs/dbraw/zinc/15/06/42/429150642.db2.gz SUXFGJZNLVAZOA-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)c(F)c1 ZINC000434794716 429112866 /nfs/dbraw/zinc/11/28/66/429112866.db2.gz NQNASJQPBXLLJH-OAHLLOKOSA-N 1 0 307.369 2.840 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000434951603 429116443 /nfs/dbraw/zinc/11/64/43/429116443.db2.gz ONKRUUYZLNEJSL-LBPRGKRZSA-N 1 0 324.812 2.811 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000376512022 429125037 /nfs/dbraw/zinc/12/50/37/429125037.db2.gz GAZZOKAYWRZCDF-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000413024329 429125078 /nfs/dbraw/zinc/12/50/78/429125078.db2.gz CQTRTPHRCOIABI-UHFFFAOYSA-N 1 0 304.272 2.516 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000424327277 429126610 /nfs/dbraw/zinc/12/66/10/429126610.db2.gz YVLIAODJGIVSDH-GEEKYZPCSA-N 1 0 304.390 2.931 20 5 DFBDRO [NH3+][C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435368982 429133372 /nfs/dbraw/zinc/13/33/72/429133372.db2.gz CHHPPUJVEYSYKT-GFCCVEGCSA-N 1 0 303.387 2.856 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413090795 429134688 /nfs/dbraw/zinc/13/46/88/429134688.db2.gz JLFLOIOWVKLDKM-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000413119925 429142197 /nfs/dbraw/zinc/14/21/97/429142197.db2.gz APMGUGHCPOFGES-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000364089029 429169047 /nfs/dbraw/zinc/16/90/47/429169047.db2.gz PAWLHIGMOQPOPW-UONOGXRCSA-N 1 0 303.362 2.836 20 5 DFBDRO CC[C@H](CNc1c2ccccc2ncc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000487867448 429169930 /nfs/dbraw/zinc/16/99/30/429169930.db2.gz CRYICCBIZIFFNN-CYBMUJFWSA-N 1 0 314.389 2.851 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(O)CCc3ccccc32)cs1 ZINC000269857242 275033083 /nfs/dbraw/zinc/03/30/83/275033083.db2.gz ZJPNYWLUKHPYCD-HNNXBMFYSA-N 1 0 304.371 2.580 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CCC([NH+]3CCCC3)CC2)c(F)c1 ZINC000301769382 275033723 /nfs/dbraw/zinc/03/37/23/275033723.db2.gz FEMBRBQPATXHAX-UHFFFAOYSA-N 1 0 311.332 2.938 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000301808240 275033768 /nfs/dbraw/zinc/03/37/68/275033768.db2.gz WWLFLKXTGHCQIB-JVLSTEMRSA-N 1 0 323.343 2.794 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301368542 275033960 /nfs/dbraw/zinc/03/39/60/275033960.db2.gz RRNKQGQAMLWMNM-YUTCNCBUSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301368071 275033985 /nfs/dbraw/zinc/03/39/85/275033985.db2.gz RRNKQGQAMLWMNM-UBHSHLNASA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCC3)CC2)c2ccncc21 ZINC000264960927 275036274 /nfs/dbraw/zinc/03/62/74/275036274.db2.gz NIDWVJVGOYIRES-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c2ncccc12 ZINC000264920002 275036657 /nfs/dbraw/zinc/03/66/57/275036657.db2.gz LVNCMGXXIWABGE-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c2ncccc12 ZINC000072089536 275036780 /nfs/dbraw/zinc/03/67/80/275036780.db2.gz AKJYGQJLEXMOQO-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c2ncccc12 ZINC000266308228 275036833 /nfs/dbraw/zinc/03/68/33/275036833.db2.gz ZVGWSTLZGBZQPE-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C4CC4)CC3)nc2c1 ZINC000278486587 275037504 /nfs/dbraw/zinc/03/75/04/275037504.db2.gz PEKLKJAVSSQGTC-UHFFFAOYSA-N 1 0 301.350 2.510 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CCC2 ZINC000368102957 275038659 /nfs/dbraw/zinc/03/86/59/275038659.db2.gz RAQBZRXJFOAUQX-SWLSCSKDSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)C1CC1 ZINC000189328108 275040018 /nfs/dbraw/zinc/04/00/18/275040018.db2.gz XGFNLTURMCSZLG-VBNZEHGJSA-N 1 0 304.390 2.667 20 5 DFBDRO COc1ccccc1C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331165 429184205 /nfs/dbraw/zinc/18/42/05/429184205.db2.gz YEIVSFMKKLTTFX-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO CCOc1cc(N2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000488747198 429196170 /nfs/dbraw/zinc/19/61/70/429196170.db2.gz ITGOWQCKLNGKHP-INIZCTEOSA-N 1 0 305.378 2.526 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000364364356 429191412 /nfs/dbraw/zinc/19/14/12/429191412.db2.gz UVUPUMYTTOFRQA-HNNXBMFYSA-N 1 0 312.373 2.807 20 5 DFBDRO C[C@H]1CC2(CCC2)CN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000364599705 429231732 /nfs/dbraw/zinc/23/17/32/429231732.db2.gz FBVZHCVLQBECEN-LBPRGKRZSA-N 1 0 303.362 2.798 20 5 DFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@H]1CC1(C)C ZINC000489474447 429244857 /nfs/dbraw/zinc/24/48/57/429244857.db2.gz ROOKUQNHJCQUDF-AWEZNQCLSA-N 1 0 319.361 2.623 20 5 DFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCc2nccn2C1 ZINC000364671283 429245784 /nfs/dbraw/zinc/24/57/84/429245784.db2.gz KVSMQRVLWJJDNQ-GFCCVEGCSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1cc(N2CC[C@@H](c3nnc[nH]3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425286873 429257965 /nfs/dbraw/zinc/25/79/65/429257965.db2.gz RFIZJSQINMBZKG-LLVKDONJSA-N 1 0 324.344 2.563 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)c1 ZINC000364740536 429258965 /nfs/dbraw/zinc/25/89/65/429258965.db2.gz CRTGOXMUGKRNPZ-INIZCTEOSA-N 1 0 300.362 2.846 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868625 429267983 /nfs/dbraw/zinc/26/79/83/429267983.db2.gz GUTKGXYQPYWZIY-JQWIXIFHSA-N 1 0 310.785 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425354826 429273093 /nfs/dbraw/zinc/27/30/93/429273093.db2.gz STNWCPDFIWWCDO-VFQAQYNWSA-N 1 0 313.361 2.537 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490165723 429280881 /nfs/dbraw/zinc/28/08/81/429280881.db2.gz PYAGUGXBOUJPHE-CQSZACIVSA-N 1 0 308.378 2.599 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000365434899 429319549 /nfs/dbraw/zinc/31/95/49/429319549.db2.gz BZWOTGPRJSMPSS-ZDUSSCGKSA-N 1 0 323.780 2.559 20 5 DFBDRO CCc1ccc(C(=O)N2CC[NH+]([C@H](C)CC)CC2)cc1[N+](=O)[O-] ZINC000456539570 429320770 /nfs/dbraw/zinc/32/07/70/429320770.db2.gz YJBVLXQPSMSWAQ-CYBMUJFWSA-N 1 0 319.405 2.714 20 5 DFBDRO Cc1n[nH]cc1CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449075378 429325576 /nfs/dbraw/zinc/32/55/76/429325576.db2.gz MUYPFUXBHUPRJN-LBPRGKRZSA-N 1 0 302.378 2.780 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(CO)c(F)c1 ZINC000449095110 429331663 /nfs/dbraw/zinc/33/16/63/429331663.db2.gz WGMRJSRKLVASHP-LBPRGKRZSA-N 1 0 318.348 2.947 20 5 DFBDRO Cc1cccc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365370286 429308562 /nfs/dbraw/zinc/30/85/62/429308562.db2.gz UPBCZMYXKUNKNT-ZBFHGGJFSA-N 1 0 319.405 2.816 20 5 DFBDRO C[NH+](C)C1(CNC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000491320361 429347085 /nfs/dbraw/zinc/34/70/85/429347085.db2.gz MXIHUXCAPDBOJA-YFHOEESVSA-N 1 0 317.389 2.599 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340126 429391704 /nfs/dbraw/zinc/39/17/04/429391704.db2.gz MSAMNYHPNDSBOB-ZIAGYGMSSA-N 1 0 321.421 2.668 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000426504816 429397671 /nfs/dbraw/zinc/39/76/71/429397671.db2.gz PUDHVVCJEPQZJH-JZUUQJBKSA-N 1 0 302.374 2.845 20 5 DFBDRO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426521617 429400455 /nfs/dbraw/zinc/40/04/55/429400455.db2.gz HXMFOUMRCOMZEF-HNNXBMFYSA-N 1 0 322.405 2.956 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449508923 429438210 /nfs/dbraw/zinc/43/82/10/429438210.db2.gz IGLGWBBXRQKHIL-CABCVRRESA-N 1 0 306.362 2.725 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449513245 429439466 /nfs/dbraw/zinc/43/94/66/429439466.db2.gz VPMKKAHODXAKEG-ZBFHGGJFSA-N 1 0 308.353 2.621 20 5 DFBDRO COc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449525168 429444646 /nfs/dbraw/zinc/44/46/46/429444646.db2.gz BDIHTZQJTOEOPI-AWEZNQCLSA-N 1 0 308.403 2.931 20 5 DFBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)O ZINC000449538120 429447704 /nfs/dbraw/zinc/44/77/04/429447704.db2.gz HABZTWWCCHZNHH-IINYFYTJSA-N 1 0 321.402 2.967 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492011591 429450929 /nfs/dbraw/zinc/45/09/29/429450929.db2.gz UGTCVGXLXJYQJJ-CLFYSBASSA-N 1 0 323.368 2.547 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000519540443 429462779 /nfs/dbraw/zinc/46/27/79/429462779.db2.gz PPJVULZZHXHWAB-DOTOQJQBSA-N 1 0 320.389 2.503 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@H]1CC ZINC000449421320 429412234 /nfs/dbraw/zinc/41/22/34/429412234.db2.gz LHIOBRJFLLFLSR-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000449423839 429413147 /nfs/dbraw/zinc/41/31/47/429413147.db2.gz OSXYDFXTWGPNMU-GAFUQQFSSA-N 1 0 302.321 2.520 20 5 DFBDRO CC[C@](C)(C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449477225 429428971 /nfs/dbraw/zinc/42/89/71/429428971.db2.gz OQPWNWINIHJRFS-BLLLJJGKSA-N 1 0 323.393 2.717 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675280 429474127 /nfs/dbraw/zinc/47/41/27/429474127.db2.gz ZEJIGTAYUHHDLH-YPMHNXCESA-N 1 0 318.295 2.648 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427896079 429477196 /nfs/dbraw/zinc/47/71/96/429477196.db2.gz VAFSKIGYLVYCBZ-OCCSQVGLSA-N 1 0 300.362 2.765 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449713101 429487739 /nfs/dbraw/zinc/48/77/39/429487739.db2.gz VXVIBQFLVPRSCP-MWLCHTKSSA-N 1 0 319.386 2.667 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366629667 429489226 /nfs/dbraw/zinc/48/92/26/429489226.db2.gz NLLBFAJZPSSULN-WFASDCNBSA-N 1 0 306.362 2.604 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000520224565 429504670 /nfs/dbraw/zinc/50/46/70/429504670.db2.gz MPFBUEICACOEJN-CABCVRRESA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H]([NH+]4CCCC4)C3)ccnc21 ZINC000520321139 429509129 /nfs/dbraw/zinc/50/91/29/429509129.db2.gz IGVLPGQJFLPBJZ-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000428500360 429531091 /nfs/dbraw/zinc/53/10/91/429531091.db2.gz LHYMSWGXMVKXEL-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000520610447 429523806 /nfs/dbraw/zinc/52/38/06/429523806.db2.gz XYPCHWACXYSBHO-HNNXBMFYSA-N 1 0 319.405 2.594 20 5 DFBDRO Cc1nc(NC[C@]2([NH+](C)C)CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000450267026 429589227 /nfs/dbraw/zinc/58/92/27/429589227.db2.gz ARIQOUDUSAJZEJ-NHYWBVRUSA-N 1 0 307.398 2.616 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000175400639 275846189 /nfs/dbraw/zinc/84/61/89/275846189.db2.gz CNHBSLSXRNEFEU-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002862 429571034 /nfs/dbraw/zinc/57/10/34/429571034.db2.gz WAWYOOJGUYZUIQ-DYEKYZERSA-N 1 0 309.435 2.818 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCO2)CC1 ZINC000367073477 429571173 /nfs/dbraw/zinc/57/11/73/429571173.db2.gz SREREROVOOXDAU-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002863 429571601 /nfs/dbraw/zinc/57/16/01/429571601.db2.gz WAWYOOJGUYZUIQ-MBNYWOFBSA-N 1 0 309.435 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000429005456 429572107 /nfs/dbraw/zinc/57/21/07/429572107.db2.gz GOOASOKFVLYIQI-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000408448422 275868884 /nfs/dbraw/zinc/86/88/84/275868884.db2.gz UQRMXBSLGUWJFW-MCIONIFRSA-N 1 0 322.409 2.822 20 5 DFBDRO O=C1CC[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C2(CCC2)N1 ZINC000367128221 429582403 /nfs/dbraw/zinc/58/24/03/429582403.db2.gz YKMQBZDPVDCGJA-ZDUSSCGKSA-N 1 0 323.780 2.539 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000429151475 429584253 /nfs/dbraw/zinc/58/42/53/429584253.db2.gz NNDVASFQYGKGQR-MNOVXSKESA-N 1 0 317.345 2.540 20 5 DFBDRO C[C@@H](CNc1nccc2cc([N+](=O)[O-])ccc21)C[NH+]1CCCC1 ZINC000450261529 429587615 /nfs/dbraw/zinc/58/76/15/429587615.db2.gz INRQPRVOWJZMBH-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428572516 429535900 /nfs/dbraw/zinc/53/59/00/429535900.db2.gz MTCJUNAFVFPWPI-ZDUSSCGKSA-N 1 0 314.341 2.566 20 5 DFBDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580226 429619020 /nfs/dbraw/zinc/61/90/20/429619020.db2.gz UCHWGOIZRQQFSI-GXTWGEPZSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000367178105 429591835 /nfs/dbraw/zinc/59/18/35/429591835.db2.gz GUIDJLOQLIBQST-DUVNUKRYSA-N 1 0 317.389 2.707 20 5 DFBDRO COC(=O)C1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000450593656 429656631 /nfs/dbraw/zinc/65/66/31/429656631.db2.gz BRPRRUVXZTXBIY-UHFFFAOYSA-N 1 0 304.346 2.512 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000430195618 429660369 /nfs/dbraw/zinc/66/03/69/429660369.db2.gz OPDXWBRHTMZZIF-ZOWXZIJZSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC(C)=C[C@@H](C)C1 ZINC000430288002 429674784 /nfs/dbraw/zinc/67/47/84/429674784.db2.gz ZYNCVZVXIDVMES-LLVKDONJSA-N 1 0 303.362 2.740 20 5 DFBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279122649 276143420 /nfs/dbraw/zinc/14/34/20/276143420.db2.gz QESNREITEHKGLE-LSDHHAIUSA-N 1 0 317.389 2.576 20 5 DFBDRO CCc1cc(CCC[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)on1 ZINC000450692138 429677598 /nfs/dbraw/zinc/67/75/98/429677598.db2.gz KBCFFBMDCZLVDX-UHFFFAOYSA-N 1 0 316.361 2.531 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C[NH3+])C1CC1 ZINC000430590583 429699085 /nfs/dbraw/zinc/69/90/85/429699085.db2.gz HTJBKTMIYLXVMZ-INIZCTEOSA-N 1 0 307.394 2.599 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@@H+]1CC ZINC000175362924 276376616 /nfs/dbraw/zinc/37/66/16/276376616.db2.gz CWYSJSJYPRKJQE-MRXNPFEDSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1cc(N2CCOC[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000367797483 429718175 /nfs/dbraw/zinc/71/81/75/429718175.db2.gz ZYKRZDOJJMFDMR-LLVKDONJSA-N 1 0 301.346 2.924 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000450959567 429737899 /nfs/dbraw/zinc/73/78/99/429737899.db2.gz YUYAWRABADUEKB-JTQLQIEISA-N 1 0 321.406 2.518 20 5 DFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000527316204 429742625 /nfs/dbraw/zinc/74/26/25/429742625.db2.gz MDZBUSJUIKCPMR-CJNGLKHVSA-N 1 0 308.378 2.768 20 5 DFBDRO CCOc1cc(N2CC[C@@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000486932451 429754842 /nfs/dbraw/zinc/75/48/42/429754842.db2.gz DFEPHEXDDXQFIZ-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO CC(C)[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487079260 429764448 /nfs/dbraw/zinc/76/44/48/429764448.db2.gz BMUABGLGZCQMPJ-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493677437 429807815 /nfs/dbraw/zinc/80/78/15/429807815.db2.gz UQTQDZDQKGSHNK-XITLMJRVSA-N 1 0 317.389 2.549 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368104952 429788397 /nfs/dbraw/zinc/78/83/97/429788397.db2.gz MCIWBJIZMVOIBK-JSGCOSHPSA-N 1 0 314.389 2.786 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000451229616 429791901 /nfs/dbraw/zinc/79/19/01/429791901.db2.gz LWGCSMRXPJOWCU-CVEARBPZSA-N 1 0 320.389 2.849 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000493733863 429819851 /nfs/dbraw/zinc/81/98/51/429819851.db2.gz DAJANRAJIGQGGB-INIZCTEOSA-N 1 0 321.421 2.766 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451413880 429825218 /nfs/dbraw/zinc/82/52/18/429825218.db2.gz HRFNQDJLAOZPAG-XFJVYGCCSA-N 1 0 308.353 2.859 20 5 DFBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@H]1OC ZINC000451655043 429868666 /nfs/dbraw/zinc/86/86/66/429868666.db2.gz WZLQHKCHZKYWLA-HZPDHXFCSA-N 1 0 324.425 2.851 20 5 DFBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1OC ZINC000451649843 429868692 /nfs/dbraw/zinc/86/86/92/429868692.db2.gz JCMOFHGLNNXOIT-HUUCEWRRSA-N 1 0 324.425 2.851 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000432880680 429847424 /nfs/dbraw/zinc/84/74/24/429847424.db2.gz YCKAXVNHNQAVKX-CQSZACIVSA-N 1 0 322.409 2.519 20 5 DFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)cc1 ZINC000451543715 429848150 /nfs/dbraw/zinc/84/81/50/429848150.db2.gz CFMONIDGMVAVGD-WCQYABFASA-N 1 0 318.295 2.697 20 5 DFBDRO Cc1nccn1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545595 429849725 /nfs/dbraw/zinc/84/97/25/429849725.db2.gz HTLVVDUELVLUEU-INIZCTEOSA-N 1 0 314.389 2.979 20 5 DFBDRO CCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547644 429850452 /nfs/dbraw/zinc/85/04/52/429850452.db2.gz LHORIPSNIGVEBJ-UKRRQHHQSA-N 1 0 319.405 2.689 20 5 DFBDRO Cn1cc(CC[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000451548438 429850619 /nfs/dbraw/zinc/85/06/19/429850619.db2.gz NFDDHHSALBUAMF-MRXNPFEDSA-N 1 0 314.389 2.750 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000368448095 429851315 /nfs/dbraw/zinc/85/13/15/429851315.db2.gz XTSAFAIZHNZBMX-RYUDHWBXSA-N 1 0 323.418 2.569 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)Cc2cccc(F)c2)cc1 ZINC000494229401 429860591 /nfs/dbraw/zinc/86/05/91/429860591.db2.gz CEODLBCCEQSRRD-UHFFFAOYSA-N 1 0 318.348 2.771 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685878 429886468 /nfs/dbraw/zinc/88/64/68/429886468.db2.gz BZQCEGVRIXXWNQ-NEPJUHHUSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000368690730 429887325 /nfs/dbraw/zinc/88/73/25/429887325.db2.gz XFJYEJAYUPMGBG-NEPJUHHUSA-N 1 0 323.418 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000369004880 429906703 /nfs/dbraw/zinc/90/67/03/429906703.db2.gz RUOVLCRCCFIYKA-CJNGLKHVSA-N 1 0 305.378 2.508 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369002217 429906740 /nfs/dbraw/zinc/90/67/40/429906740.db2.gz MVNIKJWFUYDSED-WFASDCNBSA-N 1 0 323.368 2.647 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000369004881 429907028 /nfs/dbraw/zinc/90/70/28/429907028.db2.gz RUOVLCRCCFIYKA-CZUORRHYSA-N 1 0 305.378 2.508 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000369311812 429923288 /nfs/dbraw/zinc/92/32/88/429923288.db2.gz YPFURHYTWABSQZ-UHFFFAOYSA-N 1 0 323.368 2.538 20 5 DFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000573973261 429998600 /nfs/dbraw/zinc/99/86/00/429998600.db2.gz SHDRCEVQULVBJF-ZWNOBZJWSA-N 1 0 314.357 2.629 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000574072705 430008045 /nfs/dbraw/zinc/00/80/45/430008045.db2.gz ZXYZIHIQZCSHES-NHIYQJMISA-N 1 0 322.405 2.749 20 5 DFBDRO COCC1([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000574061993 430008321 /nfs/dbraw/zinc/00/83/21/430008321.db2.gz BMSMNZLECFGFIO-CQSZACIVSA-N 1 0 322.405 2.701 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000560193658 430024268 /nfs/dbraw/zinc/02/42/68/430024268.db2.gz ZTVVLDVUWONTLL-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DFBDRO Cc1ccccc1C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000562585584 430150339 /nfs/dbraw/zinc/15/03/39/430150339.db2.gz WMBKJPCHBILEGC-CQSZACIVSA-N 1 0 302.378 2.663 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000577851042 430117553 /nfs/dbraw/zinc/11/75/53/430117553.db2.gz XZOCUAQKLXHEPX-VXGBXAGGSA-N 1 0 300.362 3.195 20 5 DFBDRO CN(C)C(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000563363804 430181716 /nfs/dbraw/zinc/18/17/16/430181716.db2.gz CIDVJLORNYRYPM-OAHLLOKOSA-N 1 0 319.405 2.643 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291712593 277047046 /nfs/dbraw/zinc/04/70/46/277047046.db2.gz VRARICQMQMXCRN-ZDUSSCGKSA-N 1 0 315.373 2.784 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272648001 277177354 /nfs/dbraw/zinc/17/73/54/277177354.db2.gz PJXWNLVAGCGFAL-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000236578724 277267235 /nfs/dbraw/zinc/26/72/35/277267235.db2.gz OMTISHWUJMRTKP-JSGCOSHPSA-N 1 0 319.405 2.750 20 5 DFBDRO Cc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)no1 ZINC000565818845 430229242 /nfs/dbraw/zinc/22/92/42/430229242.db2.gz OXFLBYGCACGLJW-UHFFFAOYSA-N 1 0 300.318 2.705 20 5 DFBDRO CCOC(=O)[C@H](CC(C)C)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000542979721 430233734 /nfs/dbraw/zinc/23/37/34/430233734.db2.gz KPCMPSLVYCXTBZ-INIZCTEOSA-N 1 0 320.389 2.931 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000544857801 430295497 /nfs/dbraw/zinc/29/54/97/430295497.db2.gz OWLXFPPIIRFHTB-SECBINFHSA-N 1 0 303.309 2.948 20 5 DFBDRO CC(C)Oc1nc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000582616683 430317218 /nfs/dbraw/zinc/31/72/18/430317218.db2.gz OYUSUAVNBZKODZ-ZDUSSCGKSA-N 1 0 322.409 2.698 20 5 DFBDRO COCCOCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279060376 277535972 /nfs/dbraw/zinc/53/59/72/277535972.db2.gz KUMDAUCQONXPEK-MRXNPFEDSA-N 1 0 322.405 2.960 20 5 DFBDRO COCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000568411460 430356779 /nfs/dbraw/zinc/35/67/79/430356779.db2.gz RLQGTXRIPJBPKH-HNNXBMFYSA-N 1 0 320.389 2.615 20 5 DFBDRO CCC[C@H]([NH2+]CCn1cnnc1CC)c1cccc([N+](=O)[O-])c1 ZINC000547385574 430389141 /nfs/dbraw/zinc/38/91/41/430389141.db2.gz XREBIXPFWDKVNW-HNNXBMFYSA-N 1 0 317.393 2.880 20 5 DFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@H](C)[N@H+]1C ZINC000583918495 430440161 /nfs/dbraw/zinc/44/01/61/430440161.db2.gz FOBYIZGSUPHNPL-DTORHVGOSA-N 1 0 318.299 2.537 20 5 DFBDRO O=C(CC[NH2+][C@@H]1C[C@H]1c1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000569715823 430481041 /nfs/dbraw/zinc/48/10/41/430481041.db2.gz RNXAOKYEFIYRAY-DGCLKSJQSA-N 1 0 315.329 2.662 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569378480 430450282 /nfs/dbraw/zinc/45/02/82/430450282.db2.gz SKJLGRZADABZAG-JTNHKYCSSA-N 1 0 306.362 2.759 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000570552284 430552668 /nfs/dbraw/zinc/55/26/68/430552668.db2.gz FNULRGHRMPFKRU-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H]3CCSC3)c2c1 ZINC000570599336 430558315 /nfs/dbraw/zinc/55/83/15/430558315.db2.gz FLBJSEJNHPQOOH-LLVKDONJSA-N 1 0 305.403 2.961 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000570838990 430582213 /nfs/dbraw/zinc/58/22/13/430582213.db2.gz QMZSRJJSSYBGBD-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO O=C(CC[NH2+]CC1CC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000571790975 430653029 /nfs/dbraw/zinc/65/30/29/430653029.db2.gz KCNAOPPSZYIKRG-UHFFFAOYSA-N 1 0 313.304 2.558 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552851981 430603551 /nfs/dbraw/zinc/60/35/51/430603551.db2.gz AVTXZIARRBOIFM-UMVBOHGHSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc3c(n2)CCC3)cc1 ZINC000571286690 430618512 /nfs/dbraw/zinc/61/85/12/430618512.db2.gz AEXBGMPNWNWZQS-UHFFFAOYSA-N 1 0 313.357 2.647 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000555340487 430665770 /nfs/dbraw/zinc/66/57/70/430665770.db2.gz GFFPQHLYNATEQT-CYBMUJFWSA-N 1 0 319.405 2.790 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286410065 278015502 /nfs/dbraw/zinc/01/55/02/278015502.db2.gz QFGCPDGRDLUATO-PWSUYJOCSA-N 1 0 310.785 2.706 20 5 DFBDRO COc1cccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000185581691 278016830 /nfs/dbraw/zinc/01/68/30/278016830.db2.gz DLYGNYSGOVGUDP-OLZOCXBDSA-N 1 0 305.378 2.524 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261923425 278036318 /nfs/dbraw/zinc/03/63/18/278036318.db2.gz BXPWSOVAJJGDIA-QGZVFWFLSA-N 1 0 303.406 2.904 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1cnn(CC[NH+]2CCCCC2)c1 ZINC000572541886 430690077 /nfs/dbraw/zinc/69/00/77/430690077.db2.gz MMWRMTUBGJTQAT-UHFFFAOYSA-N 1 0 300.362 2.944 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488125 278253208 /nfs/dbraw/zinc/25/32/08/278253208.db2.gz RZHFGLIETAAYMI-NSHDSACASA-N 1 0 324.356 2.730 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000556928603 430696207 /nfs/dbraw/zinc/69/62/07/430696207.db2.gz LVHKCKSGOLRXEM-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H]1C[NH3+] ZINC000261837360 278344276 /nfs/dbraw/zinc/34/42/76/278344276.db2.gz CEACZZHLHMUFKA-ZBEGNZNMSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000299532985 278633743 /nfs/dbraw/zinc/63/37/43/278633743.db2.gz NOWUXZRUQNUYJI-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000266114732 278863105 /nfs/dbraw/zinc/86/31/05/278863105.db2.gz NKGWLCOTODNBRL-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)CC2)n1 ZINC000178234448 278864115 /nfs/dbraw/zinc/86/41/15/278864115.db2.gz ZVBMTWHPKQQKOW-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000185418532 278912246 /nfs/dbraw/zinc/91/22/46/278912246.db2.gz URWZWIXDWJLFCT-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000024801413 278912775 /nfs/dbraw/zinc/91/27/75/278912775.db2.gz LGPHVVNIOHWCKT-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770071 279036128 /nfs/dbraw/zinc/03/61/28/279036128.db2.gz OTSYCICUKFOTAZ-VFADXPBXSA-N 1 0 303.406 2.882 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000376508611 279087962 /nfs/dbraw/zinc/08/79/62/279087962.db2.gz WBQJXNMSJIUEEY-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000276455491 279181886 /nfs/dbraw/zinc/18/18/86/279181886.db2.gz NBNRGSQFEKZQDR-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183270404 279375467 /nfs/dbraw/zinc/37/54/67/279375467.db2.gz GFNFDJXRMIHWAR-HNNXBMFYSA-N 1 0 300.362 2.612 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000262409532 279419847 /nfs/dbraw/zinc/41/98/47/279419847.db2.gz DALZEIFVFHOOLT-IUCAKERBSA-N 1 0 318.299 2.572 20 5 DFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342359 279880558 /nfs/dbraw/zinc/88/05/58/279880558.db2.gz YEHZJRSETHBLEG-WPRPVWTQSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286445912 279996842 /nfs/dbraw/zinc/99/68/42/279996842.db2.gz SWUMDVJKUCYXEQ-AAEUAGOBSA-N 1 0 320.349 2.566 20 5 DFBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044567 280017187 /nfs/dbraw/zinc/01/71/87/280017187.db2.gz FBVKUARQRZSLAA-AAEUAGOBSA-N 1 0 318.352 2.845 20 5 DFBDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H]1C ZINC000262744987 280050322 /nfs/dbraw/zinc/05/03/22/280050322.db2.gz FQDLVHCVQXPHSW-VXGBXAGGSA-N 1 0 319.405 2.715 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000317382236 280195410 /nfs/dbraw/zinc/19/54/10/280195410.db2.gz JVRMNTKXNFSKPN-IUODEOHRSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1c(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000079085375 280245011 /nfs/dbraw/zinc/24/50/11/280245011.db2.gz FSPSZHDMGRVRRP-GFCCVEGCSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cc(C(=O)N2CCCC23CC[NH+](C)CC3)cc([N+](=O)[O-])c1 ZINC000371361060 280323249 /nfs/dbraw/zinc/32/32/49/280323249.db2.gz MIAMIYBMOSGIFU-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1(O)CCC1)C1CC1 ZINC000284427036 280374321 /nfs/dbraw/zinc/37/43/21/280374321.db2.gz RSKYAHQBKFTTCH-OAHLLOKOSA-N 1 0 304.390 2.811 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000174972981 281191172 /nfs/dbraw/zinc/19/11/72/281191172.db2.gz XFDSEVWFYSEBRR-NWDGAFQWSA-N 1 0 323.418 2.664 20 5 DFBDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000412877185 289109594 /nfs/dbraw/zinc/10/95/94/289109594.db2.gz LTEROSRRNGCXEF-ZDUSSCGKSA-N 1 0 305.378 2.542 20 5 DFBDRO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000415687820 289120784 /nfs/dbraw/zinc/12/07/84/289120784.db2.gz BLCLEBZKSTUZIY-GWCFXTLKSA-N 1 0 320.393 2.703 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415700984 289121443 /nfs/dbraw/zinc/12/14/43/289121443.db2.gz NQHPKYFQINTYBI-GWCFXTLKSA-N 1 0 320.393 2.846 20 5 DFBDRO C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415706903 289122005 /nfs/dbraw/zinc/12/20/05/289122005.db2.gz VHIMZMLWKRGZDX-UWVGGRQHSA-N 1 0 308.382 2.750 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415761835 289131756 /nfs/dbraw/zinc/13/17/56/289131756.db2.gz MCWXVLYGKAEVQE-OAHLLOKOSA-N 1 0 320.393 2.796 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000266333394 295254082 /nfs/dbraw/zinc/25/40/82/295254082.db2.gz HEKWXFUTDYBHBL-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO COc1cccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000295020665 295305699 /nfs/dbraw/zinc/30/56/99/295305699.db2.gz UTGKCQIRRCWCIX-LBPRGKRZSA-N 1 0 305.378 2.524 20 5 DFBDRO CC(C)[NH2+]CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000155321957 295316682 /nfs/dbraw/zinc/31/66/82/295316682.db2.gz SHKRGCTWQTXXIC-UHFFFAOYSA-N 1 0 307.394 2.720 20 5 DFBDRO COc1ccc(C[N@H+](C)CCCn2ccnc2C)cc1[N+](=O)[O-] ZINC000159219636 295374143 /nfs/dbraw/zinc/37/41/43/295374143.db2.gz HKBMCUMHJOVZDK-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000368448096 295457642 /nfs/dbraw/zinc/45/76/42/295457642.db2.gz XTSAFAIZHNZBMX-VXGBXAGGSA-N 1 0 323.418 2.569 20 5 DFBDRO C[NH+]1CCC2(CCCN(C(=O)c3csc([N+](=O)[O-])c3)C2)CC1 ZINC000374100798 295472549 /nfs/dbraw/zinc/47/25/49/295472549.db2.gz VKLBYXBAOSKVCA-UHFFFAOYSA-N 1 0 323.418 2.604 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488683 297095367 /nfs/dbraw/zinc/09/53/67/297095367.db2.gz HRQHDBOYRMUTIO-QWHCGFSZSA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000438513533 297096819 /nfs/dbraw/zinc/09/68/19/297096819.db2.gz ZXPYNXLPMLVMMB-OLZOCXBDSA-N 1 0 305.378 2.900 20 5 DFBDRO C[NH+](C)C[C@@](C)(O)CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000439170663 297117708 /nfs/dbraw/zinc/11/77/08/297117708.db2.gz QXCHZWLZKKVDBB-LBPRGKRZSA-N 1 0 322.192 2.626 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441237306 297177120 /nfs/dbraw/zinc/17/71/20/297177120.db2.gz RYZJITOSPJNVGS-HUUCEWRRSA-N 1 0 320.389 2.722 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441292169 297178884 /nfs/dbraw/zinc/17/88/84/297178884.db2.gz XZQFEFAXBHFLCJ-ZIAGYGMSSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441292164 297178911 /nfs/dbraw/zinc/17/89/11/297178911.db2.gz XZQFEFAXBHFLCJ-KBPBESRZSA-N 1 0 320.389 2.852 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C[C@H]1C ZINC000442764392 297204998 /nfs/dbraw/zinc/20/49/98/297204998.db2.gz KMITUOPHVHCKRH-OLZOCXBDSA-N 1 0 307.394 2.551 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000443954522 297229047 /nfs/dbraw/zinc/22/90/47/297229047.db2.gz CSEQEBLNFCIIQT-WCQYABFASA-N 1 0 320.393 2.816 20 5 DFBDRO COC[C@H](CC(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446858065 297288828 /nfs/dbraw/zinc/28/88/28/297288828.db2.gz YJBMGAMWFFXCFZ-NSHDSACASA-N 1 0 306.366 2.622 20 5 DFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528348 297307054 /nfs/dbraw/zinc/30/70/54/297307054.db2.gz IXIUAWJWRXOJQB-RZLSGREXSA-N 1 0 324.425 2.662 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447594275 297309951 /nfs/dbraw/zinc/30/99/51/297309951.db2.gz XXQDKWFPQOGAAW-YESZJQIVSA-N 1 0 320.389 2.756 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3ccnc3C1)CCC2 ZINC000447603500 297310727 /nfs/dbraw/zinc/31/07/27/297310727.db2.gz XXKDHLKJODZKGB-BBRMVZONSA-N 1 0 312.373 2.773 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071192 297400405 /nfs/dbraw/zinc/40/04/05/297400405.db2.gz GMZRKQGCQWSUON-ZIAGYGMSSA-N 1 0 316.405 2.957 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cnn1C ZINC000449079666 297402108 /nfs/dbraw/zinc/40/21/08/297402108.db2.gz ZTGNCZKGOVHOTQ-VXGBXAGGSA-N 1 0 302.378 2.919 20 5 DFBDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449117811 297408436 /nfs/dbraw/zinc/40/84/36/297408436.db2.gz QILRVDNOQONSKS-LLVKDONJSA-N 1 0 302.378 2.666 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000449166589 297416294 /nfs/dbraw/zinc/41/62/94/297416294.db2.gz DXFNBJBXOWFNKK-ZFWWWQNUSA-N 1 0 314.389 2.890 20 5 DFBDRO COc1ccncc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340898 297449450 /nfs/dbraw/zinc/44/94/50/297449450.db2.gz QXAZDPQBWDODGR-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(F)F ZINC000449354601 297452427 /nfs/dbraw/zinc/45/24/27/297452427.db2.gz PLLQMHPZRZCPCO-SNVBAGLBSA-N 1 0 315.320 2.947 20 5 DFBDRO CO[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449449933 297469151 /nfs/dbraw/zinc/46/91/51/297469151.db2.gz ALTKUGCHLVWHPD-PBHICJAKSA-N 1 0 322.405 2.859 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000449747280 297525502 /nfs/dbraw/zinc/52/55/02/297525502.db2.gz IQTVCZNYNHURRC-AWEZNQCLSA-N 1 0 319.405 2.763 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451514198 297820273 /nfs/dbraw/zinc/82/02/73/297820273.db2.gz ZMTPDWRGXKNUQL-LSDHHAIUSA-N 1 0 308.378 2.897 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451593367 297841141 /nfs/dbraw/zinc/84/11/41/297841141.db2.gz HNRGDGMVRBZIOF-GLQYFDAESA-N 1 0 306.362 2.977 20 5 DFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000452016696 297914075 /nfs/dbraw/zinc/91/40/75/297914075.db2.gz OBNJILGWQACZDA-UKRRQHHQSA-N 1 0 324.377 2.529 20 5 DFBDRO CC[C@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452837102 298033408 /nfs/dbraw/zinc/03/34/08/298033408.db2.gz DVGGNPMVYWUZCS-GOEBONIOSA-N 1 0 319.405 2.641 20 5 DFBDRO CCN1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453372756 298087661 /nfs/dbraw/zinc/08/76/61/298087661.db2.gz VEBGSQRSJOYBJK-IAQYHMDHSA-N 1 0 317.389 2.528 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453415091 298092278 /nfs/dbraw/zinc/09/22/78/298092278.db2.gz XCGZYEDOOBKDLP-GOEBONIOSA-N 1 0 305.378 2.694 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1C ZINC000453635135 298107432 /nfs/dbraw/zinc/10/74/32/298107432.db2.gz RWFOXMQCZJLDAJ-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454318388 298154477 /nfs/dbraw/zinc/15/44/77/298154477.db2.gz HGXDIOXRPTUGFW-ZDUSSCGKSA-N 1 0 306.366 2.543 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454318386 298154546 /nfs/dbraw/zinc/15/45/46/298154546.db2.gz HGXDIOXRPTUGFW-CYBMUJFWSA-N 1 0 306.366 2.543 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000455158209 298310620 /nfs/dbraw/zinc/31/06/20/298310620.db2.gz DTJDVIDMEKYDJZ-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)C1C[NH+](C2CCCCC2)C1 ZINC000457363404 298707240 /nfs/dbraw/zinc/70/72/40/298707240.db2.gz BJBCUFDRFIEPRK-UHFFFAOYSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccco1 ZINC000500059140 300205016 /nfs/dbraw/zinc/20/50/16/300205016.db2.gz HZWKGZUKDIEKRN-LBPRGKRZSA-N 1 0 317.345 2.737 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000515388402 300304495 /nfs/dbraw/zinc/30/44/95/300304495.db2.gz ATIKAWJITVONAJ-MLGOLLRUSA-N 1 0 301.390 2.656 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413806 300314567 /nfs/dbraw/zinc/31/45/67/300314567.db2.gz QZKOBSGYLHUPKF-WDEREUQCSA-N 1 0 323.780 2.557 20 5 DFBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516454908 300342805 /nfs/dbraw/zinc/34/28/05/300342805.db2.gz YRQAYADNRGVDNQ-QLFBSQMISA-N 1 0 322.405 2.750 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000517176934 300385766 /nfs/dbraw/zinc/38/57/66/300385766.db2.gz URIPZEYUNJLCQV-MRXNPFEDSA-N 1 0 305.378 2.526 20 5 DFBDRO CC(C)C[C@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000520703361 300506478 /nfs/dbraw/zinc/50/64/78/300506478.db2.gz HLYVATOWRSNGLV-CZUORRHYSA-N 1 0 321.421 2.791 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000520812821 300509528 /nfs/dbraw/zinc/50/95/28/300509528.db2.gz FWVIVOWNYPPGSX-AWEZNQCLSA-N 1 0 318.764 2.706 20 5 DFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000527316203 300650811 /nfs/dbraw/zinc/65/08/11/300650811.db2.gz MDZBUSJUIKCPMR-BBRMVZONSA-N 1 0 308.378 2.768 20 5 DFBDRO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000531479586 301094196 /nfs/dbraw/zinc/09/41/96/301094196.db2.gz GLGLZOWKHFCKFN-UHFFFAOYSA-N 1 0 324.352 2.899 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531693493 301104166 /nfs/dbraw/zinc/10/41/66/301104166.db2.gz AYROTDBPNBUHAD-OLZOCXBDSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000532246608 301139425 /nfs/dbraw/zinc/13/94/25/301139425.db2.gz XKDWHAAZUGQIIL-DGCLKSJQSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000532246610 301139648 /nfs/dbraw/zinc/13/96/48/301139648.db2.gz XKDWHAAZUGQIIL-YPMHNXCESA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279277 301141720 /nfs/dbraw/zinc/14/17/20/301141720.db2.gz BMACDAFSPSGMNK-QWHCGFSZSA-N 1 0 304.346 2.690 20 5 DFBDRO C[NH+](C)Cc1ccsc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000532299154 301142867 /nfs/dbraw/zinc/14/28/67/301142867.db2.gz WGAQVRCSMWYHFQ-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO Cc1nc(N2CCC(C[N@@H+](C)C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000532369473 301148100 /nfs/dbraw/zinc/14/81/00/301148100.db2.gz ABSSSNIJHPWGAN-UHFFFAOYSA-N 1 0 306.410 2.855 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000532582142 301160904 /nfs/dbraw/zinc/16/09/04/301160904.db2.gz NMZJQDNXLLQAAO-NWDGAFQWSA-N 1 0 319.361 2.623 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000532971892 301179330 /nfs/dbraw/zinc/17/93/30/301179330.db2.gz MXFGQOBJMMZJEP-NEPJUHHUSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H](C)S1 ZINC000533426780 301200400 /nfs/dbraw/zinc/20/04/00/301200400.db2.gz MLCSTBSAQAYMNI-VXGBXAGGSA-N 1 0 323.418 2.749 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272968 301223104 /nfs/dbraw/zinc/22/31/04/301223104.db2.gz YQPBBUXWNJKPFC-CHWSQXEVSA-N 1 0 312.373 2.816 20 5 DFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1 ZINC000534706567 301236433 /nfs/dbraw/zinc/23/64/33/301236433.db2.gz QGFGTVFXPXWNKS-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000536852830 301291654 /nfs/dbraw/zinc/29/16/54/301291654.db2.gz QVHRPZSAIFTIPS-AAEUAGOBSA-N 1 0 300.362 2.834 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538559670 301323549 /nfs/dbraw/zinc/32/35/49/301323549.db2.gz JZJMPXHQKXRGEC-GFCCVEGCSA-N 1 0 307.394 2.716 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC(C)(C)C ZINC000539624564 301345886 /nfs/dbraw/zinc/34/58/86/301345886.db2.gz FXSPGRUFEULFLM-LBPRGKRZSA-N 1 0 323.393 2.717 20 5 DFBDRO Cc1c(NC(=O)CCN(C)c2cc[nH+]cc2)cccc1[N+](=O)[O-] ZINC000540928909 301376466 /nfs/dbraw/zinc/37/64/66/301376466.db2.gz KJSRUAKHYOSPSO-UHFFFAOYSA-N 1 0 314.345 2.763 20 5 DFBDRO Cc1cc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC2)ccc1F ZINC000272143985 301409536 /nfs/dbraw/zinc/40/95/36/301409536.db2.gz YWBLYDIPWICGHU-INIZCTEOSA-N 1 0 318.352 2.980 20 5 DFBDRO Cc1ncc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)cn1 ZINC000561751824 301943385 /nfs/dbraw/zinc/94/33/85/301943385.db2.gz GSVKCAGYINZZLQ-UHFFFAOYSA-N 1 0 311.345 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)C1CCCCC1 ZINC000562373182 301966059 /nfs/dbraw/zinc/96/60/59/301966059.db2.gz CLPUYTHHTLHMCW-OAHLLOKOSA-N 1 0 308.378 2.634 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCOc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC000562968377 302019042 /nfs/dbraw/zinc/01/90/42/302019042.db2.gz ZEUBWQVXHMBNOA-XXTUFTOESA-N 1 0 320.389 2.767 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000563014437 302026099 /nfs/dbraw/zinc/02/60/99/302026099.db2.gz WDPQQHJGNXHJLC-HGTKMLMNSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000563773767 302096988 /nfs/dbraw/zinc/09/69/88/302096988.db2.gz ZNASTAALWQKAFJ-XUSGNXJCSA-N 1 0 310.419 2.855 20 5 DFBDRO CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000563897849 302107401 /nfs/dbraw/zinc/10/74/01/302107401.db2.gz YTLOMISOHYBTQQ-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564860150 302165614 /nfs/dbraw/zinc/16/56/14/302165614.db2.gz OCBPKVQGSOIPIX-UKRRQHHQSA-N 1 0 322.405 2.750 20 5 DFBDRO C[NH+](C)CCCN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000565088653 302193301 /nfs/dbraw/zinc/19/33/01/302193301.db2.gz JBHLXYQBTQDHQC-GFCCVEGCSA-N 1 0 305.300 2.740 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000565217213 302208372 /nfs/dbraw/zinc/20/83/72/302208372.db2.gz LAEQVTVLCQCMCM-SZMVWBNQSA-N 1 0 310.353 2.830 20 5 DFBDRO Cc1ccnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000292231227 302272486 /nfs/dbraw/zinc/27/24/86/302272486.db2.gz IVXXSVUNRJXMSO-LBPRGKRZSA-N 1 0 304.394 2.609 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473493 302290648 /nfs/dbraw/zinc/29/06/48/302290648.db2.gz BNOGYLNJMBOZCO-BBRMVZONSA-N 1 0 303.406 2.904 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566473494 302290747 /nfs/dbraw/zinc/29/07/47/302290747.db2.gz BNOGYLNJMBOZCO-CJNGLKHVSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569540844 302523399 /nfs/dbraw/zinc/52/33/99/302523399.db2.gz TVHPFKGWFMNVGK-STQMWFEESA-N 1 0 321.421 2.791 20 5 DFBDRO CC(C)[C@@]1(C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570155726 302558639 /nfs/dbraw/zinc/55/86/39/302558639.db2.gz SBIORLWROKRICS-GOEBONIOSA-N 1 0 305.378 2.948 20 5 DFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000571534542 302622288 /nfs/dbraw/zinc/62/22/88/302622288.db2.gz IPSAIIJJKLAENJ-UHFFFAOYSA-N 1 0 317.349 2.593 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000572092568 302642564 /nfs/dbraw/zinc/64/25/64/302642564.db2.gz KDUVLTSHZJKEPV-XEZPLFJOSA-N 1 0 317.389 2.707 20 5 DFBDRO CCOc1cccc(N2CC[C@@H](C[N@H+](C)CC)C2)c1[N+](=O)[O-] ZINC000183153609 316131801 /nfs/dbraw/zinc/13/18/01/316131801.db2.gz ROGSUUHTAGEQIM-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO [NH3+]CC1(CC(=O)NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000185356309 316185698 /nfs/dbraw/zinc/18/56/98/316185698.db2.gz CDZOWSQPUOVILX-UHFFFAOYSA-N 1 0 305.378 2.510 20 5 DFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346348810 316318405 /nfs/dbraw/zinc/31/84/05/316318405.db2.gz YYQNVRZPZQYJSX-FNOHHLHBSA-N 1 0 306.362 2.882 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@H](CO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000353517727 316529058 /nfs/dbraw/zinc/52/90/58/316529058.db2.gz YTZBZBZSLHNOLI-WBMJQRKESA-N 1 0 304.390 2.925 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CC)[C@H](O)C(C)C ZINC000414526437 316618833 /nfs/dbraw/zinc/61/88/33/316618833.db2.gz LICQGSVVWBOCES-GDBMZVCRSA-N 1 0 310.394 2.879 20 5 DFBDRO Cc1c(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000414702053 316636418 /nfs/dbraw/zinc/63/64/18/316636418.db2.gz LLSYDNPQGVQTOM-NWDGAFQWSA-N 1 0 306.366 2.542 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000421869964 316778043 /nfs/dbraw/zinc/77/80/43/316778043.db2.gz FFILCWFYQSHMOC-ZIAGYGMSSA-N 1 0 319.405 2.812 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000421881285 316779955 /nfs/dbraw/zinc/77/99/55/316779955.db2.gz OYQKNRNQRUYNKQ-UONOGXRCSA-N 1 0 319.405 2.812 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000449546014 317040285 /nfs/dbraw/zinc/04/02/85/317040285.db2.gz ZQUXPEPIGCKCRK-RDJZCZTQSA-N 1 0 313.357 3.000 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449558865 317043993 /nfs/dbraw/zinc/04/39/93/317043993.db2.gz XDDIFUDHRMMAIK-OAGGEKHMSA-N 1 0 304.390 2.886 20 5 DFBDRO Cc1nc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450260729 317076623 /nfs/dbraw/zinc/07/66/23/317076623.db2.gz DWDDDGIFSWKYQF-BZPMIXESSA-N 1 0 319.409 2.535 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccncn1 ZINC000453200621 317167761 /nfs/dbraw/zinc/16/77/61/317167761.db2.gz VHNCTLOZHOQOPK-SNVBAGLBSA-N 1 0 306.753 2.932 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000453394681 317183001 /nfs/dbraw/zinc/18/30/01/317183001.db2.gz WPQDOWJUMIOTSE-NHYWBVRUSA-N 1 0 308.378 2.805 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)o1 ZINC000453621021 317194606 /nfs/dbraw/zinc/19/46/06/317194606.db2.gz WZKGUVCTSRPEHP-UKRRQHHQSA-N 1 0 302.330 2.858 20 5 DFBDRO C[NH+](C)CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000488119941 317368281 /nfs/dbraw/zinc/36/82/81/317368281.db2.gz CUCXLMUVELCMKU-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491531461 317580989 /nfs/dbraw/zinc/58/09/89/317580989.db2.gz HBZMWCBQNKTTDB-TWGQIWQCSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493758191 317640892 /nfs/dbraw/zinc/64/08/92/317640892.db2.gz RUMQJZCTHGLUSU-XGICHPGQSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3CO)o2)c(Cl)c1 ZINC000571363835 317982720 /nfs/dbraw/zinc/98/27/20/317982720.db2.gz CKXZUVCINAAQFY-LKFCYVNXSA-N 1 0 322.748 2.979 20 5 DFBDRO Cn1ccnc1[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134270 318066191 /nfs/dbraw/zinc/06/61/91/318066191.db2.gz TVQMHLSIUKYRQP-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204915 318110424 /nfs/dbraw/zinc/11/04/24/318110424.db2.gz KXDAUZPZGGZXGU-STQMWFEESA-N 1 0 307.394 2.545 20 5 DFBDRO [NH3+][C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1ccccc1 ZINC000576465674 318128301 /nfs/dbraw/zinc/12/83/01/318128301.db2.gz JQKOZRUZFACTQP-AWEZNQCLSA-N 1 0 312.373 2.981 20 5 DFBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576578390 318135214 /nfs/dbraw/zinc/13/52/14/318135214.db2.gz QCVXJVUZAGFNOJ-USXIJHARSA-N 1 0 322.405 2.749 20 5 DFBDRO CC(F)(F)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578350507 318255281 /nfs/dbraw/zinc/25/52/81/318255281.db2.gz PKPWQDKGQFCTQV-UHFFFAOYSA-N 1 0 315.320 2.948 20 5 DFBDRO CCOCC(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000578524263 318267305 /nfs/dbraw/zinc/26/73/05/318267305.db2.gz QUGCHQCYQKVBML-UHFFFAOYSA-N 1 0 323.393 2.576 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000578593369 318270998 /nfs/dbraw/zinc/27/09/98/318270998.db2.gz ULJQAJQCGKCNKW-URLYPYJESA-N 1 0 304.350 2.517 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000578761489 318283799 /nfs/dbraw/zinc/28/37/99/318283799.db2.gz HTWLFJQTDWBCRF-OAHLLOKOSA-N 1 0 313.357 2.988 20 5 DFBDRO C[C@H](C(=O)NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000578828982 318287651 /nfs/dbraw/zinc/28/76/51/318287651.db2.gz CVEKKSZQEIRBTL-ZDUSSCGKSA-N 1 0 319.405 2.689 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCCC2 ZINC000579468070 318332488 /nfs/dbraw/zinc/33/24/88/318332488.db2.gz SGOKKBOJENPFNF-LSDHHAIUSA-N 1 0 316.405 2.907 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000579907052 318361358 /nfs/dbraw/zinc/36/13/58/318361358.db2.gz WQIMNSXOUJALDE-IUODEOHRSA-N 1 0 317.389 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(OCc2ccc3c(c2)C[NH2+]CC3)c(F)c1 ZINC000579957602 318366005 /nfs/dbraw/zinc/36/60/05/318366005.db2.gz FAUSTFFBJJUUHR-UHFFFAOYSA-N 1 0 302.305 2.959 20 5 DFBDRO C[NH2+]CCS[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000580070275 318373071 /nfs/dbraw/zinc/37/30/71/318373071.db2.gz XWOCKMKESHPRCB-QMMMGPOBSA-N 1 0 317.798 2.528 20 5 DFBDRO CCOc1cccc(N2CC[C@]3(C2)CCC[NH2+]C3)c1[N+](=O)[O-] ZINC000581934031 323591696 /nfs/dbraw/zinc/59/16/96/323591696.db2.gz ARVOZBDGTRSMQF-MRXNPFEDSA-N 1 0 305.378 2.573 20 5 DFBDRO CC(C)NC(=O)c1ccc(NCCC[NH2+]C(C)C)c([N+](=O)[O-])c1 ZINC000582775761 323734100 /nfs/dbraw/zinc/73/41/00/323734100.db2.gz FNQCLWIFZRZELN-UHFFFAOYSA-N 1 0 322.409 2.533 20 5 DFBDRO Cc1c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971729 533847943 /nfs/dbraw/zinc/84/79/43/533847943.db2.gz MHVIPPSOTUTGSX-QGZVFWFLSA-N 1 0 303.406 2.821 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302020883 533915947 /nfs/dbraw/zinc/91/59/47/533915947.db2.gz NSYIVXDOHFYPHU-BDJLRTHQSA-N 1 0 314.389 2.838 20 5 DFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294782165 534165349 /nfs/dbraw/zinc/16/53/49/534165349.db2.gz AOXOFGSLMMGYST-UHFFFAOYSA-N 1 0 307.394 2.831 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000322662153 534245367 /nfs/dbraw/zinc/24/53/67/534245367.db2.gz GCBACBRWRHDMGZ-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190534 520700994 /nfs/dbraw/zinc/70/09/94/520700994.db2.gz OXIURBNITMWUHW-CABCVRRESA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000322108951 534591143 /nfs/dbraw/zinc/59/11/43/534591143.db2.gz OBNJXXFPVKWNNO-DZGCQCFKSA-N 1 0 317.389 2.507 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365095067 523888323 /nfs/dbraw/zinc/88/83/23/523888323.db2.gz QHAZNYXVTMBXCH-DOTOQJQBSA-N 1 0 317.389 2.501 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365095070 523888589 /nfs/dbraw/zinc/88/85/89/523888589.db2.gz QHAZNYXVTMBXCH-NVXWUHKLSA-N 1 0 317.389 2.501 20 5 DFBDRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019653 526122184 /nfs/dbraw/zinc/12/21/84/526122184.db2.gz ZETBJBSRMGFHQX-JSGCOSHPSA-N 1 0 301.350 2.584 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000364245039 526141649 /nfs/dbraw/zinc/14/16/49/526141649.db2.gz PDXLWIJMCBXIAN-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000157346718 526872559 /nfs/dbraw/zinc/87/25/59/526872559.db2.gz DZSCEVQCFLLKOB-RYUDHWBXSA-N 1 0 323.418 2.521 20 5 DFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)C(N)=O ZINC000294790359 527228728 /nfs/dbraw/zinc/22/87/28/527228728.db2.gz LXHSMTVFFWHFGJ-ZDUSSCGKSA-N 1 0 319.405 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCOCC3)CC2)cc1 ZINC000364825045 527348747 /nfs/dbraw/zinc/34/87/47/527348747.db2.gz IPIBPMFODXZGAD-UHFFFAOYSA-N 1 0 320.389 2.755 20 5 DFBDRO O=[N+]([O-])c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031391 527350873 /nfs/dbraw/zinc/35/08/73/527350873.db2.gz IJLRDQSCOIQCED-QWHCGFSZSA-N 1 0 309.797 2.965 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](n3cccn3)C2)cc1 ZINC000365080091 527371953 /nfs/dbraw/zinc/37/19/53/527371953.db2.gz JZMANTVSJMNZKR-HNNXBMFYSA-N 1 0 316.361 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000365079973 527391630 /nfs/dbraw/zinc/39/16/30/527391630.db2.gz GCGGXZVJFHRRNH-OAHLLOKOSA-N 1 0 316.361 2.507 20 5 DFBDRO CC(C)C1([NH2+]CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC1 ZINC000293043469 527623336 /nfs/dbraw/zinc/62/33/36/527623336.db2.gz QXCKOMHHOPMOKA-UHFFFAOYSA-N 1 0 309.341 2.841 20 5 DFBDRO CC(C)C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+](C)C ZINC000302857687 528330394 /nfs/dbraw/zinc/33/03/94/528330394.db2.gz SOVDQZLTJSMWOV-LBPRGKRZSA-N 1 0 306.410 2.951 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362604465 535094121 /nfs/dbraw/zinc/09/41/21/535094121.db2.gz UBATZMKYAKVZGS-CZUORRHYSA-N 1 0 319.405 2.530 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCCCC2 ZINC000182036625 535502061 /nfs/dbraw/zinc/50/20/61/535502061.db2.gz HQVFCPARQBBCRT-LSDHHAIUSA-N 1 0 322.409 2.509 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(F)(F)F ZINC000358244038 535942227 /nfs/dbraw/zinc/94/22/27/535942227.db2.gz YGHIYVPSHFJRII-JFUSQASVSA-N 1 0 306.284 2.947 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824627485 608481070 /nfs/dbraw/zinc/48/10/70/608481070.db2.gz XVFPMZCSGKUUHG-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO CN(C(=O)C[N@H+](C)C(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000050989037 425882318 /nfs/dbraw/zinc/88/23/18/425882318.db2.gz PJEFSGCEMIRNIP-UHFFFAOYSA-N 1 0 317.389 2.678 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278523318 214211306 /nfs/dbraw/zinc/21/13/06/214211306.db2.gz SQZQNGROVXEMTO-UHFFFAOYSA-N 1 0 317.393 2.780 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413026958 295669052 /nfs/dbraw/zinc/66/90/52/295669052.db2.gz KNNJBXPPRSIJAG-UHFFFAOYSA-N 1 0 306.288 2.761 20 5 DFBDRO CCC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278614895 214276507 /nfs/dbraw/zinc/27/65/07/214276507.db2.gz BTWTZRXHTMYVNH-VBNZEHGJSA-N 1 0 308.378 2.566 20 5 DFBDRO C[C@H](O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278632567 214289822 /nfs/dbraw/zinc/28/98/22/214289822.db2.gz KSZZGLBNRRNQRH-NSHDSACASA-N 1 0 321.402 2.969 20 5 DFBDRO COC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278703845 214339673 /nfs/dbraw/zinc/33/96/73/214339673.db2.gz OAEUEFJJCHWEAT-UHFFFAOYSA-N 1 0 304.350 2.518 20 5 DFBDRO Cc1cccc(NCCC[NH2+]Cc2cccnc2)c1[N+](=O)[O-] ZINC000318681247 231173000 /nfs/dbraw/zinc/17/30/00/231173000.db2.gz KATNAQONRSNNMY-UHFFFAOYSA-N 1 0 300.362 2.890 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413117249 295677906 /nfs/dbraw/zinc/67/79/06/295677906.db2.gz IRWYVXVFBSFHTI-UHFFFAOYSA-N 1 0 318.299 2.541 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000065962741 398352733 /nfs/dbraw/zinc/35/27/33/398352733.db2.gz UXIRXXMWPXFSQC-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CCN(c3[nH+]ccc4[nH]ccc43)CC2)n1 ZINC000596213789 398358646 /nfs/dbraw/zinc/35/86/46/398358646.db2.gz GKSWUIMIAPDINX-UHFFFAOYSA-N 1 0 312.333 2.509 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000066203181 398362540 /nfs/dbraw/zinc/36/25/40/398362540.db2.gz UKTXKKUJTBWOTM-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000066203179 398362734 /nfs/dbraw/zinc/36/27/34/398362734.db2.gz SRSYPKWFTWEQJY-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c2cccnc21 ZINC000413183790 295683663 /nfs/dbraw/zinc/68/36/63/295683663.db2.gz ZHTPGLJGFLCOLF-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090068684 185280662 /nfs/dbraw/zinc/28/06/62/185280662.db2.gz DQXIOWDFBILDKR-WFASDCNBSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090184316 185286279 /nfs/dbraw/zinc/28/62/79/185286279.db2.gz ZYAMEAOCNTXFIU-LBPRGKRZSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[NH+]1CCC(N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083133529 398382875 /nfs/dbraw/zinc/38/28/75/398382875.db2.gz AAAAMKSBUXNUBT-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO CCCCC[N@H+](CCO)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083173496 398384299 /nfs/dbraw/zinc/38/42/99/398384299.db2.gz AVMILNONWHFRGO-UHFFFAOYSA-N 1 0 307.350 2.721 20 5 DFBDRO Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539178 185301556 /nfs/dbraw/zinc/30/15/56/185301556.db2.gz JTAWVRWLUROLNQ-OAHLLOKOSA-N 1 0 316.361 2.603 20 5 DFBDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538205 185301687 /nfs/dbraw/zinc/30/16/87/185301687.db2.gz AIAAWOHFNWLIGT-CHWSQXEVSA-N 1 0 318.377 2.582 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090552299 185302756 /nfs/dbraw/zinc/30/27/56/185302756.db2.gz HJPXSPRSRROLAC-AWEZNQCLSA-N 1 0 307.394 2.515 20 5 DFBDRO CCN(CCC[NH+](C)C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413256486 295691160 /nfs/dbraw/zinc/69/11/60/295691160.db2.gz MFDVLFCXNKBDLC-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO C[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000413296572 295694903 /nfs/dbraw/zinc/69/49/03/295694903.db2.gz DKDVNNXLUOTNHG-MRVPVSSYSA-N 1 0 306.288 2.618 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)CCC(C)(C)C)c([N+](=O)[O-])c1 ZINC000592144550 398391025 /nfs/dbraw/zinc/39/10/25/398391025.db2.gz MOQSOVUCWIBCKS-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1COc2ccccc2O1 ZINC000014925734 398392319 /nfs/dbraw/zinc/39/23/19/398392319.db2.gz CVZSLFVFCKCJKU-HNNXBMFYSA-N 1 0 314.341 2.867 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000592182339 398397728 /nfs/dbraw/zinc/39/77/28/398397728.db2.gz RNPSHAYXHKIREE-NILFDRSVSA-N 1 0 303.362 2.702 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)o2)cc1 ZINC000592182418 398397843 /nfs/dbraw/zinc/39/78/43/398397843.db2.gz SUDFZTOALZBUIZ-IACUBPJLSA-N 1 0 314.345 2.923 20 5 DFBDRO Cc1ccc(C2([NH2+]CCn3cc([N+](=O)[O-])cn3)CCC2)cc1 ZINC000592189488 398399721 /nfs/dbraw/zinc/39/97/21/398399721.db2.gz WBTBBSJOEROMEP-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO CCCN(C(=O)Nc1cc([N+](=O)[O-])ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000592210813 398403149 /nfs/dbraw/zinc/40/31/49/398403149.db2.gz CDVRCDVAXQDRBF-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(N2CC[C@H](O)C(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596428786 398410093 /nfs/dbraw/zinc/41/00/93/398410093.db2.gz CPGDYJOZFRLQMF-AWEZNQCLSA-N 1 0 323.299 2.658 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279322217 214792534 /nfs/dbraw/zinc/79/25/34/214792534.db2.gz CGEZCDJNDKAONQ-JOYOIKCWSA-N 1 0 312.753 2.680 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596435557 398411140 /nfs/dbraw/zinc/41/11/40/398411140.db2.gz AOUAQHPNGICIKJ-CYBMUJFWSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592331128 398412474 /nfs/dbraw/zinc/41/24/74/398412474.db2.gz ITTDWYPKUPZQJO-UHFFFAOYSA-N 1 0 305.378 2.672 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)CC(F)F)c([N+](=O)[O-])cc1O ZINC000592372559 398417110 /nfs/dbraw/zinc/41/71/10/398417110.db2.gz LXCYWFOXDMUQSI-MRVPVSSYSA-N 1 0 304.293 2.690 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181662804 199334975 /nfs/dbraw/zinc/33/49/75/199334975.db2.gz DDVKJDXITPKQFK-QGZVFWFLSA-N 1 0 316.357 2.951 20 5 DFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357048 398415596 /nfs/dbraw/zinc/41/55/96/398415596.db2.gz QLILZZVMYDIUSU-ASCRHOAZSA-N 1 0 300.318 2.963 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000183089356 199533827 /nfs/dbraw/zinc/53/38/27/199533827.db2.gz REUIGCBXTCNVQF-RYUDHWBXSA-N 1 0 323.393 2.956 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CCC(F)CC1)OCCO2 ZINC000592376538 398418155 /nfs/dbraw/zinc/41/81/55/398418155.db2.gz AFKZSJCTDSPIMF-UHFFFAOYSA-N 1 0 324.352 2.984 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1OC ZINC000592380387 398419022 /nfs/dbraw/zinc/41/90/22/398419022.db2.gz UMNDJZNEJZISKK-NQBHXWOUSA-N 1 0 306.362 2.890 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CC[NH2+]C12CCCC2 ZINC000592438329 398426510 /nfs/dbraw/zinc/42/65/10/398426510.db2.gz KVDJDNAHLZATLW-YERXGYGTSA-N 1 0 301.390 2.872 20 5 DFBDRO CO[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000253341771 398421343 /nfs/dbraw/zinc/42/13/43/398421343.db2.gz ZLRDMAOZEWSQLX-CZUORRHYSA-N 1 0 308.378 2.721 20 5 DFBDRO Cc1cc(N2CC[C@H]3COC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596525785 398438602 /nfs/dbraw/zinc/43/86/02/398438602.db2.gz AEIGYLCQBPLEHN-QWHCGFSZSA-N 1 0 313.357 2.924 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000088727320 398440724 /nfs/dbraw/zinc/44/07/24/398440724.db2.gz RRUHBGQUGSGYKK-UHFFFAOYSA-N 1 0 321.421 2.840 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596546068 398444650 /nfs/dbraw/zinc/44/46/50/398444650.db2.gz WUVHLTSLLXMRPI-PIGZYNQJSA-N 1 0 315.373 2.906 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592542191 398444666 /nfs/dbraw/zinc/44/46/66/398444666.db2.gz PMSUPEWDBBPQQL-LKSINWNRSA-N 1 0 305.378 2.598 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000585754356 398445480 /nfs/dbraw/zinc/44/54/80/398445480.db2.gz JPAYIQRFZNBONK-OAHLLOKOSA-N 1 0 322.405 2.991 20 5 DFBDRO NC(=O)C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000585789448 398446465 /nfs/dbraw/zinc/44/64/65/398446465.db2.gz KXCMXRCXJLBDPT-HJHHMULASA-N 1 0 317.389 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272755028 210160345 /nfs/dbraw/zinc/16/03/45/210160345.db2.gz FIAAFSBTJADXSA-LBPRGKRZSA-N 1 0 318.377 2.675 20 5 DFBDRO Nc1c(F)c(NCC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000596563289 398448874 /nfs/dbraw/zinc/44/88/74/398448874.db2.gz UDKBJBWDYAELOC-UHFFFAOYSA-N 1 0 322.384 2.850 20 5 DFBDRO C[C@@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273070027 398449762 /nfs/dbraw/zinc/44/97/62/398449762.db2.gz OEPVGOVPINUHCA-IAGOWNOFSA-N 1 0 320.389 2.911 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026161203 398450731 /nfs/dbraw/zinc/45/07/31/398450731.db2.gz GKWOBLUIAOJDQC-STQMWFEESA-N 1 0 305.378 2.901 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000026161188 398451047 /nfs/dbraw/zinc/45/10/47/398451047.db2.gz GKWOBLUIAOJDQC-BETUJISGSA-N 1 0 305.378 2.901 20 5 DFBDRO CN1CCC([NH+]2CCC(Nc3sccc3[N+](=O)[O-])CC2)CC1 ZINC000302010529 530049799 /nfs/dbraw/zinc/04/97/99/530049799.db2.gz YJKLTYCSFUOZFJ-UHFFFAOYSA-N 1 0 324.450 2.627 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000026711207 398455520 /nfs/dbraw/zinc/45/55/20/398455520.db2.gz PMKTYXRLJRIXGL-CZUORRHYSA-N 1 0 316.357 2.685 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000083410564 192369474 /nfs/dbraw/zinc/36/94/74/192369474.db2.gz KEZRGUYKBQSGNS-KRWDZBQOSA-N 1 0 320.389 2.755 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000181695248 199339782 /nfs/dbraw/zinc/33/97/82/199339782.db2.gz JXKFBZRZCBOYJL-BMFZPTHFSA-N 1 0 320.389 2.897 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046998 398475492 /nfs/dbraw/zinc/47/54/92/398475492.db2.gz KKZGMOUCKMSCOU-UKRRQHHQSA-N 1 0 321.421 2.665 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068134492 398481885 /nfs/dbraw/zinc/48/18/85/398481885.db2.gz KVADFJBHWOUYRV-INIZCTEOSA-N 1 0 317.389 2.685 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068134490 398482204 /nfs/dbraw/zinc/48/22/04/398482204.db2.gz KVADFJBHWOUYRV-MRXNPFEDSA-N 1 0 317.389 2.685 20 5 DFBDRO CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000592772202 398483051 /nfs/dbraw/zinc/48/30/51/398483051.db2.gz MGWVYUFEYZRUPD-GJZGRUSLSA-N 1 0 307.394 2.748 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029621696 398489115 /nfs/dbraw/zinc/48/91/15/398489115.db2.gz WZGQFSVSJWZZOL-LLVKDONJSA-N 1 0 308.338 2.789 20 5 DFBDRO C[C@H](CO)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000588204958 398489413 /nfs/dbraw/zinc/48/94/13/398489413.db2.gz QBOUROBLJRDLAL-CQSZACIVSA-N 1 0 322.405 2.989 20 5 DFBDRO CCCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592829639 398492157 /nfs/dbraw/zinc/49/21/57/398492157.db2.gz TYUNGIFPGCPLIH-BBRMVZONSA-N 1 0 319.405 2.641 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C(C)C ZINC000030150146 398497207 /nfs/dbraw/zinc/49/72/07/398497207.db2.gz WGQLIVRTPRJGQZ-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)Cc1c[nH]cn1 ZINC000596787606 398501425 /nfs/dbraw/zinc/50/14/25/398501425.db2.gz DTJJISUAHYUVKA-UHFFFAOYSA-N 1 0 303.322 2.599 20 5 DFBDRO COc1cccc([C@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000304303737 398502417 /nfs/dbraw/zinc/50/24/17/398502417.db2.gz MCOFADHXKZCYQQ-INIZCTEOSA-N 1 0 316.357 2.735 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc(C2CC2)nc1 ZINC000459539428 299128234 /nfs/dbraw/zinc/12/82/34/299128234.db2.gz JOUGRYPBNJYHQV-UHFFFAOYSA-N 1 0 312.373 2.937 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596837227 398511241 /nfs/dbraw/zinc/51/12/41/398511241.db2.gz BDCGHXGZGHFYNB-GFCCVEGCSA-N 1 0 308.382 2.673 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000314026909 398517668 /nfs/dbraw/zinc/51/76/68/398517668.db2.gz XTCSXJAWIIFOOZ-GFCCVEGCSA-N 1 0 310.785 2.612 20 5 DFBDRO C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000314616544 398520275 /nfs/dbraw/zinc/52/02/75/398520275.db2.gz JKSTXTHFDHNAPZ-QWHCGFSZSA-N 1 0 305.378 2.552 20 5 DFBDRO CC(C)C[NH+]1CCC(Nc2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000589103418 398526728 /nfs/dbraw/zinc/52/67/28/398526728.db2.gz QMCSXQHNCARLMY-UHFFFAOYSA-N 1 0 312.801 2.597 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000091453455 398529409 /nfs/dbraw/zinc/52/94/09/398529409.db2.gz GAVVISBVLSCNRX-AWEZNQCLSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000091453604 398529416 /nfs/dbraw/zinc/52/94/16/398529416.db2.gz INTQZDUJZQMXAM-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO CC(C)O[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000593055261 398532355 /nfs/dbraw/zinc/53/23/55/398532355.db2.gz IZBHMCIJBSTHDS-INIZCTEOSA-N 1 0 308.378 2.863 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000091481850 398532735 /nfs/dbraw/zinc/53/27/35/398532735.db2.gz JAKCVYQDNLRLFJ-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206503 398538320 /nfs/dbraw/zinc/53/83/20/398538320.db2.gz OVHDIQGNISMXBA-XJKSGUPXSA-N 1 0 307.369 2.650 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC(CCO)C3)o2)c1 ZINC000459594780 299143532 /nfs/dbraw/zinc/14/35/32/299143532.db2.gz QBZJBYIVVMJKOX-UHFFFAOYSA-N 1 0 302.330 2.669 20 5 DFBDRO CCOc1cccc(N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1[N+](=O)[O-] ZINC000320132015 398545323 /nfs/dbraw/zinc/54/53/23/398545323.db2.gz JMKXEYMOTMHSKB-LRDDRELGSA-N 1 0 305.378 2.559 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000589371604 398548973 /nfs/dbraw/zinc/54/89/73/398548973.db2.gz PAIQOUCKTJOGCY-IAQYHMDHSA-N 1 0 320.393 2.619 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000321134902 398551475 /nfs/dbraw/zinc/55/14/75/398551475.db2.gz ULHKISTZPPOUDL-HIFRSBDPSA-N 1 0 317.389 2.507 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@@H](C)OC)C(C)C)c1 ZINC000589502382 398557621 /nfs/dbraw/zinc/55/76/21/398557621.db2.gz XKBJLMQLJLLRME-GFCCVEGCSA-N 1 0 324.377 2.627 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000322282240 398556443 /nfs/dbraw/zinc/55/64/43/398556443.db2.gz OERFFLCQLGWTKJ-FABXCBLPSA-N 1 0 313.357 2.659 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322087886 398556491 /nfs/dbraw/zinc/55/64/91/398556491.db2.gz JCNUWOFPKJNHFR-UONOGXRCSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000322626263 398558808 /nfs/dbraw/zinc/55/88/08/398558808.db2.gz UAEXEXKJCBQIFM-RYUDHWBXSA-N 1 0 313.361 2.577 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000279795337 215153037 /nfs/dbraw/zinc/15/30/37/215153037.db2.gz VRGHVBOZJKRUIW-VNQPRFMTSA-N 1 0 302.374 2.685 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSC[C@@H](C)C2)c1 ZINC000589512937 398558199 /nfs/dbraw/zinc/55/81/99/398558199.db2.gz RIOQHPXJTXIEQJ-NSHDSACASA-N 1 0 324.402 2.566 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000593182630 398566890 /nfs/dbraw/zinc/56/68/90/398566890.db2.gz XWEDZOJNBQFRHW-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO CC(C)C[N@H+](C)CCCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000593203008 398570862 /nfs/dbraw/zinc/57/08/62/398570862.db2.gz CVDMDZZBTAXJTL-UHFFFAOYSA-N 1 0 321.421 2.622 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3C[C@@H]3c3ccccc3)CC2)cn1 ZINC000589741021 398573419 /nfs/dbraw/zinc/57/34/19/398573419.db2.gz FWNLIKVKOCNVDW-SJORKVTESA-N 1 0 324.384 2.668 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000593229662 398576141 /nfs/dbraw/zinc/57/61/41/398576141.db2.gz PKVSKBLLNBQSTJ-TUKIKUTGSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)cc1OC(F)F ZINC000593232760 398577006 /nfs/dbraw/zinc/57/70/06/398577006.db2.gz DHRFSEQCGISNDI-UHFFFAOYSA-N 1 0 315.320 2.998 20 5 DFBDRO C[C@@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[NH2+]C1 ZINC000593233821 398577761 /nfs/dbraw/zinc/57/77/61/398577761.db2.gz XWGWYGXXRFTZHP-NEPJUHHUSA-N 1 0 300.362 2.943 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1ccnc3cc([N+](=O)[O-])ccc31)C2 ZINC000593235503 398577407 /nfs/dbraw/zinc/57/74/07/398577407.db2.gz UJTIIEHPDBZXJN-SJCJKPOMSA-N 1 0 312.373 2.708 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000589938382 398584244 /nfs/dbraw/zinc/58/42/44/398584244.db2.gz OFYXCMCPZFVPJQ-SCZZXKLOSA-N 1 0 310.297 2.592 20 5 DFBDRO COC(=O)c1cc(NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000092631864 398589360 /nfs/dbraw/zinc/58/93/60/398589360.db2.gz BWZOJMGNWUVSKD-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590012294 398590566 /nfs/dbraw/zinc/59/05/66/398590566.db2.gz QCYJYUDGLJXCTC-CZUORRHYSA-N 1 0 319.405 2.518 20 5 DFBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000590068686 398593444 /nfs/dbraw/zinc/59/34/44/398593444.db2.gz OYINOQLNYWMZAT-UHFFFAOYSA-N 1 0 314.769 2.533 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000597219280 398593594 /nfs/dbraw/zinc/59/35/94/398593594.db2.gz AKRYMKGGHFXRHO-YZOIGVHSSA-N 1 0 303.362 2.700 20 5 DFBDRO CCC(=O)c1ccc(NCCC[N@H+](C)CCOC)c([N+](=O)[O-])c1 ZINC000279990634 215295191 /nfs/dbraw/zinc/29/51/91/215295191.db2.gz GQGWRQAZLSCGDY-UHFFFAOYSA-N 1 0 323.393 2.568 20 5 DFBDRO CCO[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593317107 398596484 /nfs/dbraw/zinc/59/64/84/398596484.db2.gz QDYRECSVTYQAIN-RHSMWYFYSA-N 1 0 321.421 2.514 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000597238329 398601541 /nfs/dbraw/zinc/60/15/41/398601541.db2.gz GZYMYLIMXAALLO-HOCLYGCPSA-N 1 0 324.352 2.945 20 5 DFBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1(CO)CC1 ZINC000597256110 398608589 /nfs/dbraw/zinc/60/85/89/398608589.db2.gz SVPPFEIPHCSDJI-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])nc1)[NH+](C)C ZINC000072520384 398618441 /nfs/dbraw/zinc/61/84/41/398618441.db2.gz HPIOFWJRKLUOAI-AWEZNQCLSA-N 1 0 316.361 2.713 20 5 DFBDRO COc1cccc2c1C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000459690752 299165955 /nfs/dbraw/zinc/16/59/55/299165955.db2.gz FOPRYXIKQCDTEC-CYBMUJFWSA-N 1 0 316.332 3.000 20 5 DFBDRO C[C@H](c1ccncc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664925 398629510 /nfs/dbraw/zinc/62/95/10/398629510.db2.gz DTSIQVGYQKOLQL-OCCSQVGLSA-N 1 0 313.361 2.632 20 5 DFBDRO C[C@@H]([N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000043754741 398629558 /nfs/dbraw/zinc/62/95/58/398629558.db2.gz LHFOUHINJRDNIB-OCCSQVGLSA-N 1 0 310.394 2.701 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152632579 186091792 /nfs/dbraw/zinc/09/17/92/186091792.db2.gz LCWYPFDPAIDMLU-YNEHKIRRSA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000590569087 398632558 /nfs/dbraw/zinc/63/25/58/398632558.db2.gz KQRMKMSWESQFSN-GXSJLCMTSA-N 1 0 315.320 2.725 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072697853 398631069 /nfs/dbraw/zinc/63/10/69/398631069.db2.gz PVDSBCKBKPSFQF-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000593458444 398634603 /nfs/dbraw/zinc/63/46/03/398634603.db2.gz QLRWEWNOHWGQRH-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1C ZINC000593465889 398637749 /nfs/dbraw/zinc/63/77/49/398637749.db2.gz QVQIVYZCPFXKNW-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173309315 186175138 /nfs/dbraw/zinc/17/51/38/186175138.db2.gz IQCCXRFREYVDFR-BBRMVZONSA-N 1 0 316.357 2.685 20 5 DFBDRO Cn1cc([C@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000590603365 398638544 /nfs/dbraw/zinc/63/85/44/398638544.db2.gz STSZZDPRBSZOHV-MRXNPFEDSA-N 1 0 314.389 2.954 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000173316479 186176120 /nfs/dbraw/zinc/17/61/20/186176120.db2.gz IPFYIEMLVIGCDN-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000414659893 295812877 /nfs/dbraw/zinc/81/28/77/295812877.db2.gz NNSIFPSYADRZSC-WCQYABFASA-N 1 0 306.366 2.542 20 5 DFBDRO COc1cccc2c1C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C2 ZINC000459710906 299170418 /nfs/dbraw/zinc/17/04/18/299170418.db2.gz UXZUTAFIWWCPED-LBPRGKRZSA-N 1 0 304.371 2.922 20 5 DFBDRO CC(F)(F)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590654565 398646822 /nfs/dbraw/zinc/64/68/22/398646822.db2.gz BMMCESFRRSEOMQ-UHFFFAOYSA-N 1 0 302.277 2.501 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000590658474 398646877 /nfs/dbraw/zinc/64/68/77/398646877.db2.gz QKZBVOQIIAHNCJ-CFVMTHIKSA-N 1 0 320.389 2.847 20 5 DFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590659788 398647928 /nfs/dbraw/zinc/64/79/28/398647928.db2.gz NOCLCVDRFHWDKT-AAEUAGOBSA-N 1 0 306.362 2.748 20 5 DFBDRO Cc1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)cc1[N+](=O)[O-] ZINC000093870122 398648353 /nfs/dbraw/zinc/64/83/53/398648353.db2.gz LDCDTQVUKNTNAQ-OAHLLOKOSA-N 1 0 314.389 2.701 20 5 DFBDRO CC(C)(C)c1nnc(CNCC=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000459720799 299172662 /nfs/dbraw/zinc/17/26/62/299172662.db2.gz ZJTQTUALHXWTKZ-SOFGYWHQSA-N 1 0 315.377 2.813 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000267819806 186367065 /nfs/dbraw/zinc/36/70/65/186367065.db2.gz OLLMFCLHWVKBQW-CHWSQXEVSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1c(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000414706771 295817928 /nfs/dbraw/zinc/81/79/28/295817928.db2.gz OMINPDURQNTXCH-OAHLLOKOSA-N 1 0 308.382 2.788 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1 ZINC000459730332 299174601 /nfs/dbraw/zinc/17/46/01/299174601.db2.gz SKYOQTYSNRCSCY-CVEARBPZSA-N 1 0 302.374 2.638 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000590695607 398653899 /nfs/dbraw/zinc/65/38/99/398653899.db2.gz KBGGJHJYRWAIEQ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171886391 198001331 /nfs/dbraw/zinc/00/13/31/198001331.db2.gz ZDXBZNKQWYGITF-NSHDSACASA-N 1 0 324.768 2.560 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]3)o2)cc1 ZINC000414852108 295826146 /nfs/dbraw/zinc/82/61/46/295826146.db2.gz VLUKVTDUKOXTEL-CYBMUJFWSA-N 1 0 301.346 2.696 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459742596 299179449 /nfs/dbraw/zinc/17/94/49/299179449.db2.gz COFCRGDTANSOOR-GJZGRUSLSA-N 1 0 306.362 2.521 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459746785 299180669 /nfs/dbraw/zinc/18/06/69/299180669.db2.gz VBFLLOOTXTXTAN-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000280084451 215363910 /nfs/dbraw/zinc/36/39/10/215363910.db2.gz OBQXYWLLQOXIHQ-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOc1cc(CN2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277203866 213364323 /nfs/dbraw/zinc/36/43/23/213364323.db2.gz MVAYFKIQOUFBKP-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@H]1C ZINC000172594423 198119801 /nfs/dbraw/zinc/11/98/01/198119801.db2.gz WAMKNHIRSINPIO-GFCCVEGCSA-N 1 0 323.418 2.669 20 5 DFBDRO CO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000590757225 398668092 /nfs/dbraw/zinc/66/80/92/398668092.db2.gz CGEWSQFJOQSJTB-CJNGLKHVSA-N 1 0 308.378 2.721 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590765850 398668815 /nfs/dbraw/zinc/66/88/15/398668815.db2.gz ZFDZEFPLOHHJOC-INIZCTEOSA-N 1 0 321.421 2.778 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459768780 299186437 /nfs/dbraw/zinc/18/64/37/299186437.db2.gz QSIFNDBUEVHXGO-GJZGRUSLSA-N 1 0 306.362 2.521 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@]1(O)CCCOC1 ZINC000593688498 398671153 /nfs/dbraw/zinc/67/11/53/398671153.db2.gz UREXYPRUSQCZSU-IDKBZEPQSA-N 1 0 320.389 2.519 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H](CO)CCF)o1 ZINC000593690472 398671073 /nfs/dbraw/zinc/67/10/73/398671073.db2.gz ZGSIENMNEYQZES-LLVKDONJSA-N 1 0 308.309 2.665 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H](CO)CCF ZINC000593687371 398671520 /nfs/dbraw/zinc/67/15/20/398671520.db2.gz SFLSKCWMYFSVLK-QEJZJMRPSA-N 1 0 310.369 2.616 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172839890 198156811 /nfs/dbraw/zinc/15/68/11/198156811.db2.gz UWXGPXFTDITKAR-CQSZACIVSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCF ZINC000593719020 398677222 /nfs/dbraw/zinc/67/72/22/398677222.db2.gz TXFXSZZBHAOHNZ-RYUDHWBXSA-N 1 0 316.398 2.776 20 5 DFBDRO CCC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718931 398677238 /nfs/dbraw/zinc/67/72/38/398677238.db2.gz BJVXZDPMMZCUOE-IAGOWNOFSA-N 1 0 322.405 2.957 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172966044 198171448 /nfs/dbraw/zinc/17/14/48/198171448.db2.gz UATNJKQUNHWRLD-BETUJISGSA-N 1 0 317.389 2.820 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000072827480 191235099 /nfs/dbraw/zinc/23/50/99/191235099.db2.gz RXVTZXDLKOBSFB-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000072897155 191249408 /nfs/dbraw/zinc/24/94/08/191249408.db2.gz RJBBDBBDXLJOIC-QWHCGFSZSA-N 1 0 305.378 2.678 20 5 DFBDRO CCC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000072950206 191255514 /nfs/dbraw/zinc/25/55/14/191255514.db2.gz GAJCWVYPBSGBON-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000173175893 198192035 /nfs/dbraw/zinc/19/20/35/198192035.db2.gz LMOPICUMBHXTQT-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459792983 299194357 /nfs/dbraw/zinc/19/43/57/299194357.db2.gz VESCQQJGWSWJPJ-KWCYVHTRSA-N 1 0 306.362 2.760 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(C)c2[N+](=O)[O-])C1 ZINC000173566380 198227846 /nfs/dbraw/zinc/22/78/46/198227846.db2.gz YIBFPLQGHVJCLS-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CC[NH+](C3CCCC3)CC2)c1 ZINC000046058022 398693908 /nfs/dbraw/zinc/69/39/08/398693908.db2.gz LIPZPHJRCTUXAS-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000331974878 234340132 /nfs/dbraw/zinc/34/01/32/234340132.db2.gz AGYXKIYKJQMHEO-GRYCIOLGSA-N 1 0 306.362 2.938 20 5 DFBDRO CC[NH+](CC)CCSCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174023795 198282713 /nfs/dbraw/zinc/28/27/13/198282713.db2.gz ZDRKNAQQQJCXHL-UHFFFAOYSA-N 1 0 311.407 2.608 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000174100336 198291031 /nfs/dbraw/zinc/29/10/31/198291031.db2.gz ACHHVOXTBDKQLB-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174178394 198301581 /nfs/dbraw/zinc/30/15/81/198301581.db2.gz YSANJGHRDGBRKF-DGCLKSJQSA-N 1 0 306.366 2.541 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCCO)CC2)cc1 ZINC000174242629 198310199 /nfs/dbraw/zinc/31/01/99/198310199.db2.gz BJTOTEISBUONAQ-UHFFFAOYSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000073779130 398700619 /nfs/dbraw/zinc/70/06/19/398700619.db2.gz MICXKHSJGUSVHZ-VIFPVBQESA-N 1 0 311.769 2.917 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597859026 398704831 /nfs/dbraw/zinc/70/48/31/398704831.db2.gz QATKMQLYSZOZJR-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597856070 398705137 /nfs/dbraw/zinc/70/51/37/398705137.db2.gz WEDHNMHJUPMRPB-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000593915990 398703151 /nfs/dbraw/zinc/70/31/51/398703151.db2.gz NAUTYXHIMYDLKK-NHYWBVRUSA-N 1 0 319.405 2.801 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597861467 398705767 /nfs/dbraw/zinc/70/57/67/398705767.db2.gz UUXQFISVVPXABD-CYBMUJFWSA-N 1 0 319.405 2.814 20 5 DFBDRO Cn1cc(C[NH2+]CCC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000174606357 198358372 /nfs/dbraw/zinc/35/83/72/198358372.db2.gz VMMDRHQGDUHQHK-UHFFFAOYSA-N 1 0 300.362 2.885 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000174642633 198363352 /nfs/dbraw/zinc/36/33/52/198363352.db2.gz JMUSVMCVMQOGGC-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@H]2c2ccccc2)c1 ZINC000174865048 198394042 /nfs/dbraw/zinc/39/40/42/198394042.db2.gz FLOFKLFDBMNMSY-HNNXBMFYSA-N 1 0 318.402 2.581 20 5 DFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174864766 198394436 /nfs/dbraw/zinc/39/44/36/198394436.db2.gz FPTCJTYNLNUWRZ-ZFWWWQNUSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1ccc([C@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874072 198396187 /nfs/dbraw/zinc/39/61/87/198396187.db2.gz MFGWRIISXICGNG-CQSZACIVSA-N 1 0 304.350 2.920 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000174812890 198388721 /nfs/dbraw/zinc/38/87/21/198388721.db2.gz DRJSXYLEGBIHNM-UHFFFAOYSA-N 1 0 316.336 2.720 20 5 DFBDRO C[N@H+](CCCCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000174822781 198389867 /nfs/dbraw/zinc/38/98/67/198389867.db2.gz FFUGTUYHISTLOP-UHFFFAOYSA-N 1 0 302.378 2.746 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108494627 398710867 /nfs/dbraw/zinc/71/08/67/398710867.db2.gz FMDGUARDWIREEE-CYBMUJFWSA-N 1 0 318.377 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000591041353 398718762 /nfs/dbraw/zinc/71/87/62/398718762.db2.gz SSYKMVHVGJMJKB-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062118 398720421 /nfs/dbraw/zinc/72/04/21/398720421.db2.gz WHWMTHRLOSPHHV-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000236784169 202005767 /nfs/dbraw/zinc/00/57/67/202005767.db2.gz MUVPWNHOACBQCN-UHFFFAOYSA-N 1 0 319.405 2.703 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277040838 213257780 /nfs/dbraw/zinc/25/77/80/213257780.db2.gz GDRFRWBUGMSDTQ-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000415419953 295882523 /nfs/dbraw/zinc/88/25/23/295882523.db2.gz RSNMJQXGVUCLFH-YPMHNXCESA-N 1 0 306.366 2.542 20 5 DFBDRO CCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000597945554 398725955 /nfs/dbraw/zinc/72/59/55/398725955.db2.gz IAUNVLWSCVTROE-AWEZNQCLSA-N 1 0 319.405 2.884 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N[C@H]3CCc4nccn4C3)c2c1 ZINC000591141750 398730899 /nfs/dbraw/zinc/73/08/99/398730899.db2.gz ZACLSTMNMSTOKP-LBPRGKRZSA-N 1 0 309.329 2.766 20 5 DFBDRO CCOc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000276984283 213220870 /nfs/dbraw/zinc/22/08/70/213220870.db2.gz YUYGTQJWNROPEE-CQSZACIVSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000591149542 398732326 /nfs/dbraw/zinc/73/23/26/398732326.db2.gz FTQCOMYEHZHZRF-KCJUWKMLSA-N 1 0 318.299 2.761 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000594051146 398732390 /nfs/dbraw/zinc/73/23/90/398732390.db2.gz MVQQOOUWLGJMGI-UHFFFAOYSA-N 1 0 312.341 2.898 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000591149548 398732490 /nfs/dbraw/zinc/73/24/90/398732490.db2.gz GJXLGSHBLPBEGR-ABAIWWIYSA-N 1 0 300.362 2.895 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000276980918 213215984 /nfs/dbraw/zinc/21/59/84/213215984.db2.gz YGHXIZXXFDJZNX-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+](C)C ZINC000597995828 398735234 /nfs/dbraw/zinc/73/52/34/398735234.db2.gz GNJIIQCUUOEMOR-SNVBAGLBSA-N 1 0 321.402 2.880 20 5 DFBDRO C[C@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000594061086 398735453 /nfs/dbraw/zinc/73/54/53/398735453.db2.gz BKXLXGOXPFWDLL-VIFPVBQESA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047119437 398737140 /nfs/dbraw/zinc/73/71/40/398737140.db2.gz RKNUPMQZUYPYKK-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO)CCc2ccccc2)c1 ZINC000112698405 398735901 /nfs/dbraw/zinc/73/59/01/398735901.db2.gz RQHHNNUIVOQBAJ-UHFFFAOYSA-N 1 0 300.358 2.632 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000591281840 398745520 /nfs/dbraw/zinc/74/55/20/398745520.db2.gz OMHWNIOMTHVDHU-SYAUCNOPSA-N 1 0 321.396 2.596 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000591349005 398750749 /nfs/dbraw/zinc/75/07/49/398750749.db2.gz HFCISBPMRRZZTJ-NWDGAFQWSA-N 1 0 313.348 2.893 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000591357219 398752410 /nfs/dbraw/zinc/75/24/10/398752410.db2.gz KZZXKMYUABQFQO-CYBMUJFWSA-N 1 0 324.377 2.517 20 5 DFBDRO Cc1ccnc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591441940 398761554 /nfs/dbraw/zinc/76/15/54/398761554.db2.gz LHDMAOYOQWFDRQ-KBPBESRZSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202871 398764849 /nfs/dbraw/zinc/76/48/49/398764849.db2.gz UEWLRVUPDBGSKI-HZPDHXFCSA-N 1 0 317.389 2.650 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000081361401 192256416 /nfs/dbraw/zinc/25/64/16/192256416.db2.gz TUJNPNLNLFNSKJ-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CCc1ccc([C@@H](NC[C@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000591580666 398773603 /nfs/dbraw/zinc/77/36/03/398773603.db2.gz JDRPVBWSQMKWBT-ZBEGNZNMSA-N 1 0 303.362 2.776 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000598262464 398780039 /nfs/dbraw/zinc/78/00/39/398780039.db2.gz KNAVAGLMMGDVSD-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000598264893 398780011 /nfs/dbraw/zinc/78/00/11/398780011.db2.gz RGBSLEQCHXVZFR-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000081732376 192317697 /nfs/dbraw/zinc/31/76/97/192317697.db2.gz MPSVFSBWZHGYBR-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000301562030 146565300 /nfs/dbraw/zinc/56/53/00/146565300.db2.gz KRPFJPGNYZBTIX-KBPBESRZSA-N 1 0 307.394 2.814 20 5 DFBDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761292 398784602 /nfs/dbraw/zinc/78/46/02/398784602.db2.gz HBLDDWSRTSJQOY-IUODEOHRSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000594390334 398790978 /nfs/dbraw/zinc/79/09/78/398790978.db2.gz VENVZCZPHCIAHM-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]([NH3+])C(C)(C)C ZINC000237256626 202207584 /nfs/dbraw/zinc/20/75/84/202207584.db2.gz JPTNUZRRDYVRJC-GFCCVEGCSA-N 1 0 313.785 2.580 20 5 DFBDRO CCOc1cc(C[N@H+](CC)C[C@@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276884771 213154909 /nfs/dbraw/zinc/15/49/09/213154909.db2.gz JERBNUJNJJIAGC-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(O)(CC)CC2)ccc1[N+](=O)[O-] ZINC000276854812 213134449 /nfs/dbraw/zinc/13/44/49/213134449.db2.gz FJRNNIWFZKCVHG-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCCOC1)C1CC1 ZINC000178424938 198865927 /nfs/dbraw/zinc/86/59/27/198865927.db2.gz SRUOOXUXJIFIJP-BBRMVZONSA-N 1 0 304.390 2.932 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075590041 398812066 /nfs/dbraw/zinc/81/20/66/398812066.db2.gz HLUBZYJUFROPLL-QWHCGFSZSA-N 1 0 306.362 2.931 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594500919 398810836 /nfs/dbraw/zinc/81/08/36/398810836.db2.gz CAFCSHMLSTVUEX-WDMOLILDSA-N 1 0 304.346 2.513 20 5 DFBDRO CCOC(=O)C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075616808 398813237 /nfs/dbraw/zinc/81/32/37/398813237.db2.gz TUZNUBWWSRZHCW-GFCCVEGCSA-N 1 0 306.362 2.931 20 5 DFBDRO COc1cc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000179535970 199051429 /nfs/dbraw/zinc/05/14/29/199051429.db2.gz WDTSRKIJDJBQJW-LBPRGKRZSA-N 1 0 323.393 2.756 20 5 DFBDRO COc1cc(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591123 398825728 /nfs/dbraw/zinc/82/57/28/398825728.db2.gz FGIDNHFCWLQLJD-RWMBFGLXSA-N 1 0 323.393 2.513 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594604439 398830075 /nfs/dbraw/zinc/83/00/75/398830075.db2.gz ZFCPAYGKPDXRDW-CHWSQXEVSA-N 1 0 307.398 2.548 20 5 DFBDRO C[C@H]1C[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000076114011 398841249 /nfs/dbraw/zinc/84/12/49/398841249.db2.gz VWKFPDKNSDZREV-PHIMTYICSA-N 1 0 302.334 2.733 20 5 DFBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180193207 199129094 /nfs/dbraw/zinc/12/90/94/199129094.db2.gz XDFMGNYDVUSPOU-MRXNPFEDSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)ncc1[N+](=O)[O-] ZINC000594693049 398843169 /nfs/dbraw/zinc/84/31/69/398843169.db2.gz JJUSGGXDBFQKBF-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000594693734 398844072 /nfs/dbraw/zinc/84/40/72/398844072.db2.gz SKGRSLRUFZHPRB-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000594738123 398852782 /nfs/dbraw/zinc/85/27/82/398852782.db2.gz ABCAMRSPLONYFN-KRWDZBQOSA-N 1 0 313.357 2.868 20 5 DFBDRO CC(=O)NCC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052848886 398852825 /nfs/dbraw/zinc/85/28/25/398852825.db2.gz VINGHLIAFVCORF-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000594733011 398851406 /nfs/dbraw/zinc/85/14/06/398851406.db2.gz PCBZNEXLQGKBLW-MELADBBJSA-N 1 0 317.389 2.949 20 5 DFBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000152890690 283343635 /nfs/dbraw/zinc/34/36/35/283343635.db2.gz JLHBXSQKDJFHEQ-CQSZACIVSA-N 1 0 316.304 2.855 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180415507 199156767 /nfs/dbraw/zinc/15/67/67/199156767.db2.gz VQKLYENRHPPNBA-JVWICGRDSA-N 1 0 319.405 2.940 20 5 DFBDRO CC(C)CN(C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000180422679 199157929 /nfs/dbraw/zinc/15/79/29/199157929.db2.gz VUXPBWGKGWPVSI-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000053151970 398863691 /nfs/dbraw/zinc/86/36/91/398863691.db2.gz GLROFHLQXXIIJI-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCc2ncnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000180578507 199178564 /nfs/dbraw/zinc/17/85/64/199178564.db2.gz XRAHMLULUGSPNJ-ZFWWWQNUSA-N 1 0 315.377 2.632 20 5 DFBDRO C[C@@H]([NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000237357759 202242863 /nfs/dbraw/zinc/24/28/63/202242863.db2.gz CHTFELPMPISFCZ-LLVKDONJSA-N 1 0 300.362 2.883 20 5 DFBDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594920797 398871823 /nfs/dbraw/zinc/87/18/23/398871823.db2.gz ARAASNPIDDVRPZ-UHFFFAOYSA-N 1 0 300.362 2.886 20 5 DFBDRO COC[C@@H](CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000594952674 398880390 /nfs/dbraw/zinc/88/03/90/398880390.db2.gz QOZSVSBMBLXYJY-CQSZACIVSA-N 1 0 310.394 2.859 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594961272 398882425 /nfs/dbraw/zinc/88/24/25/398882425.db2.gz MLLILKWMJIJRHS-VSSJUXNHSA-N 1 0 322.430 2.887 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1[N+](=O)[O-] ZINC000594962025 398882670 /nfs/dbraw/zinc/88/26/70/398882670.db2.gz CWNPSRQDWATLIS-HKZYLEAXSA-N 1 0 310.419 2.683 20 5 DFBDRO CCOc1ccc([C@H](C)NCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000153492306 283371235 /nfs/dbraw/zinc/37/12/35/283371235.db2.gz UOSMFSXVTVBKJL-ZDUSSCGKSA-N 1 0 309.410 2.984 20 5 DFBDRO COc1cc(C[NH2+]CCCc2ccco2)c([N+](=O)[O-])cc1O ZINC000594996882 398888714 /nfs/dbraw/zinc/88/87/14/398888714.db2.gz GIBHVASTCLGYCA-UHFFFAOYSA-N 1 0 306.318 2.624 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000595015210 398891427 /nfs/dbraw/zinc/89/14/27/398891427.db2.gz YYBGFYBMRVYRGF-GFCCVEGCSA-N 1 0 316.357 2.947 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C(C)C)CC1 ZINC000175057877 283397170 /nfs/dbraw/zinc/39/71/70/283397170.db2.gz NVRKDJHLDXVICM-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019506 398893433 /nfs/dbraw/zinc/89/34/33/398893433.db2.gz XCYPVBULHVBBQV-OLZOCXBDSA-N 1 0 307.394 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(CCO)CCC1 ZINC000595022323 398893136 /nfs/dbraw/zinc/89/31/36/398893136.db2.gz LFFFEHSNRNQVND-LBPRGKRZSA-N 1 0 308.378 2.807 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC(F)F ZINC000595038509 398895888 /nfs/dbraw/zinc/89/58/88/398895888.db2.gz KSGVILMUDGIZIC-SECBINFHSA-N 1 0 304.293 2.883 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC1([NH+](C)C)CCC1 ZINC000595039863 398895894 /nfs/dbraw/zinc/89/58/94/398895894.db2.gz HALYLZJDMZGFQN-LBPRGKRZSA-N 1 0 307.394 2.738 20 5 DFBDRO [NH3+]CC1CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000044514799 283427800 /nfs/dbraw/zinc/42/78/00/283427800.db2.gz NPHAABMPRBRUGC-UHFFFAOYSA-N 1 0 314.183 2.532 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H](C)C[N@H+](C)C(C)C ZINC000595046538 398897181 /nfs/dbraw/zinc/89/71/81/398897181.db2.gz AIDWWIANQBSRRX-STQMWFEESA-N 1 0 309.410 2.983 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000142278873 398897681 /nfs/dbraw/zinc/89/76/81/398897681.db2.gz BMZXQYBCYOPQKO-UHFFFAOYSA-N 1 0 300.314 2.656 20 5 DFBDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000595041355 398896768 /nfs/dbraw/zinc/89/67/68/398896768.db2.gz POVFXWWABPOVEP-MRXNPFEDSA-N 1 0 322.405 2.825 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000595053407 398898285 /nfs/dbraw/zinc/89/82/85/398898285.db2.gz YAKXZIKPKFLXQO-QWRGUYRKSA-N 1 0 316.361 2.535 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595061194 398899774 /nfs/dbraw/zinc/89/97/74/398899774.db2.gz QXZWZZYCVCNOHS-JLJPHGGASA-N 1 0 322.405 2.557 20 5 DFBDRO C[C@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000054449453 398899864 /nfs/dbraw/zinc/89/98/64/398899864.db2.gz LWGWSJCWGRPLOI-STQMWFEESA-N 1 0 307.394 2.895 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccccc2[N+](=O)[O-])CCCCCC1 ZINC000142982161 398900156 /nfs/dbraw/zinc/90/01/56/398900156.db2.gz CJPDFSNBUQAQBH-UHFFFAOYSA-N 1 0 319.405 2.979 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595063227 398900518 /nfs/dbraw/zinc/90/05/18/398900518.db2.gz WGEQGOOWQAKYMU-RFQCTEFHSA-N 1 0 322.430 2.861 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000089580716 192820111 /nfs/dbraw/zinc/82/01/11/192820111.db2.gz MHOGSFINAIKERU-AWEZNQCLSA-N 1 0 308.378 2.909 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CCOCC1 ZINC000595064154 398900626 /nfs/dbraw/zinc/90/06/26/398900626.db2.gz DRMLJZNASWTFOT-GUYCJALGSA-N 1 0 322.405 2.995 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCO[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595070549 398901646 /nfs/dbraw/zinc/90/16/46/398901646.db2.gz YAVSCBQOQOWLDJ-GWCFXTLKSA-N 1 0 300.305 2.978 20 5 DFBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000186810259 200015591 /nfs/dbraw/zinc/01/55/91/200015591.db2.gz QDCVCGPYCGULNY-UHFFFAOYSA-N 1 0 323.393 2.962 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c([N+](=O)[O-])cc1O ZINC000598987004 398903559 /nfs/dbraw/zinc/90/35/59/398903559.db2.gz HJOZBUJSLXSXEM-UTUOFQBUSA-N 1 0 306.362 2.835 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H](O)C13CCC3)CCC2 ZINC000595088158 398903823 /nfs/dbraw/zinc/90/38/23/398903823.db2.gz HULGKWMSWHSIJI-OWCLPIDISA-N 1 0 302.374 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)CC1CC1)CCC2 ZINC000595092819 398903958 /nfs/dbraw/zinc/90/39/58/398903958.db2.gz XEXVHBKGDDTCIO-GUYCJALGSA-N 1 0 304.390 2.970 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](O)C13CCC3)CCC2 ZINC000595088157 398904076 /nfs/dbraw/zinc/90/40/76/398904076.db2.gz HULGKWMSWHSIJI-OAGGEKHMSA-N 1 0 302.374 2.865 20 5 DFBDRO CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095310 398904432 /nfs/dbraw/zinc/90/44/32/398904432.db2.gz IHYYQJDEVKUTKH-OLZOCXBDSA-N 1 0 307.394 2.738 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000470170779 299293359 /nfs/dbraw/zinc/29/33/59/299293359.db2.gz AFWBUEFGSRYYRN-MBSJSRAVSA-N 1 0 303.406 2.882 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccncc2)cc1[N+](=O)[O-] ZINC000598998087 398905818 /nfs/dbraw/zinc/90/58/18/398905818.db2.gz MRIVVRGOHVJDGJ-WBVHZDCISA-N 1 0 313.357 2.918 20 5 DFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187336988 200097643 /nfs/dbraw/zinc/09/76/43/200097643.db2.gz PVJSFAKDUKJBAT-MRXNPFEDSA-N 1 0 322.405 2.645 20 5 DFBDRO CC(=O)c1cc(N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000599042336 398911382 /nfs/dbraw/zinc/91/13/82/398911382.db2.gz COSVJRUKVGBTMV-LLVKDONJSA-N 1 0 305.378 2.940 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258524 398913670 /nfs/dbraw/zinc/91/36/70/398913670.db2.gz PIQCSMQNJIBXCZ-ZYHUDNBSSA-N 1 0 311.407 2.636 20 5 DFBDRO Cn1ccnc1[C@@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599058226 398914299 /nfs/dbraw/zinc/91/42/99/398914299.db2.gz GBSCJYUCMPCRFF-CYBMUJFWSA-N 1 0 323.356 2.870 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237486000 202266913 /nfs/dbraw/zinc/26/69/13/202266913.db2.gz PFTDBSWSCKRHRK-BLLLJJGKSA-N 1 0 305.378 2.613 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]CC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000599065151 398915727 /nfs/dbraw/zinc/91/57/27/398915727.db2.gz PAZNWURUXFWIHS-MRXNPFEDSA-N 1 0 312.373 2.974 20 5 DFBDRO C[C@H]1CCCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000187906815 200174858 /nfs/dbraw/zinc/17/48/58/200174858.db2.gz QVQSKJIEEMYJPC-ZDUSSCGKSA-N 1 0 305.378 2.680 20 5 DFBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)[C@@H]1CCOC1 ZINC000595296072 398917519 /nfs/dbraw/zinc/91/75/19/398917519.db2.gz XDFBIWPONCOIJF-NVXWUHKLSA-N 1 0 322.405 2.857 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc[nH]c1=O ZINC000599082460 398917907 /nfs/dbraw/zinc/91/79/07/398917907.db2.gz CMAYTUMHDYTXAU-LBPRGKRZSA-N 1 0 301.346 2.806 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)CC(F)F ZINC000599089809 398919512 /nfs/dbraw/zinc/91/95/12/398919512.db2.gz OJRUGBZIQSAYOH-GFCCVEGCSA-N 1 0 315.364 2.702 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc4cnccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000599092156 398919984 /nfs/dbraw/zinc/91/99/84/398919984.db2.gz SDZIOOKBANRFGR-XJKSGUPXSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1cc(F)cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000237659499 202320744 /nfs/dbraw/zinc/32/07/44/202320744.db2.gz NYCNCSQQFCTJAJ-AWEZNQCLSA-N 1 0 323.368 2.680 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@H]1CCOC1 ZINC000595355081 398926560 /nfs/dbraw/zinc/92/65/60/398926560.db2.gz VOVCPMUVTDWEIS-YOEHRIQHSA-N 1 0 320.389 2.611 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000189016305 200336184 /nfs/dbraw/zinc/33/61/84/200336184.db2.gz PCEPANKQTIKEPC-CQSZACIVSA-N 1 0 306.387 2.658 20 5 DFBDRO Cc1noc(CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595363617 398927450 /nfs/dbraw/zinc/92/74/50/398927450.db2.gz FEJJHONGJTZHEO-OBJOEFQTSA-N 1 0 322.409 2.728 20 5 DFBDRO Cc1noc(CN(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381124 398930320 /nfs/dbraw/zinc/93/03/20/398930320.db2.gz JKOFHHIOVFEHHP-RISCZKNCSA-N 1 0 317.345 2.715 20 5 DFBDRO CNC(=O)C(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314463 296009247 /nfs/dbraw/zinc/00/92/47/296009247.db2.gz ZBZFWCNCJLILFX-HNNXBMFYSA-N 1 0 319.405 2.724 20 5 DFBDRO CCC(CC)(C[NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(=O)OC ZINC000595399317 398931970 /nfs/dbraw/zinc/93/19/70/398931970.db2.gz ZETCEZCFDFDVDC-UHFFFAOYSA-N 1 0 312.341 2.803 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152729965 398933042 /nfs/dbraw/zinc/93/30/42/398933042.db2.gz WEQQWUXVIVWFMQ-CHWSQXEVSA-N 1 0 303.362 2.574 20 5 DFBDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803959 299306510 /nfs/dbraw/zinc/30/65/10/299306510.db2.gz KHBXQMUKUDQQHN-VXGBXAGGSA-N 1 0 302.330 2.810 20 5 DFBDRO C[S@](=O)C1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417337516 296011731 /nfs/dbraw/zinc/01/17/31/296011731.db2.gz WXHYWQIJVQKHQJ-NYHFZMIOSA-N 1 0 322.430 2.863 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CC=CCC1)C1CC1 ZINC000281192783 216143529 /nfs/dbraw/zinc/14/35/29/216143529.db2.gz RLVCEUQYTJBMKT-QGZVFWFLSA-N 1 0 315.417 2.767 20 5 DFBDRO CCN1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349784 296012570 /nfs/dbraw/zinc/01/25/70/296012570.db2.gz MMIUTCZXWXYENE-BBRMVZONSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1ccccc1[N+](=O)[O-] ZINC000595423173 398935610 /nfs/dbraw/zinc/93/56/10/398935610.db2.gz MJJGZLPYODIRQL-DDHJSBNISA-N 1 0 317.389 2.693 20 5 DFBDRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281265801 216196549 /nfs/dbraw/zinc/19/65/49/216196549.db2.gz FLSAJRMVWSXCFD-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCCO)CC1 ZINC000155009687 398944605 /nfs/dbraw/zinc/94/46/05/398944605.db2.gz UKWBKRMJAYHCSO-CYBMUJFWSA-N 1 0 308.378 2.519 20 5 DFBDRO CO[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C1CCCC1 ZINC000595481553 398947053 /nfs/dbraw/zinc/94/70/53/398947053.db2.gz PSIUOEYSBSTYPM-HNNXBMFYSA-N 1 0 322.409 2.633 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483216 398947557 /nfs/dbraw/zinc/94/75/57/398947557.db2.gz KHMPDUOPMHJTFH-CQSZACIVSA-N 1 0 323.368 2.615 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]21 ZINC000261860112 283579820 /nfs/dbraw/zinc/57/98/20/283579820.db2.gz KHRQFNNZIQHJRL-MRVWCRGKSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000191327290 200672467 /nfs/dbraw/zinc/67/24/67/200672467.db2.gz OIPXEUVLXXAYII-ZDUSSCGKSA-N 1 0 320.393 2.627 20 5 DFBDRO Cc1noc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c1[N+](=O)[O-] ZINC000595528467 398957306 /nfs/dbraw/zinc/95/73/06/398957306.db2.gz ZLIGAAWTPVLPKP-OLZOCXBDSA-N 1 0 321.377 2.672 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000078455389 398957417 /nfs/dbraw/zinc/95/74/17/398957417.db2.gz ZZBOZEKXPRUPKG-NSHDSACASA-N 1 0 312.801 2.954 20 5 DFBDRO COc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000078455928 398957575 /nfs/dbraw/zinc/95/75/75/398957575.db2.gz DFUPLUWJVZHCER-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000078529617 398963741 /nfs/dbraw/zinc/96/37/41/398963741.db2.gz LTUCECYJGOTXDH-YCPHGPKFSA-N 1 0 322.405 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cccn1)CCC2 ZINC000192640425 200915489 /nfs/dbraw/zinc/91/54/89/200915489.db2.gz BPAHZPRXGWKQOF-INIZCTEOSA-N 1 0 300.362 2.849 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000193494957 201063490 /nfs/dbraw/zinc/06/34/90/201063490.db2.gz PCZBQCHZIZVSSX-CNPQOGTOSA-N 1 0 304.346 2.539 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056502873 398975010 /nfs/dbraw/zinc/97/50/10/398975010.db2.gz QIKSKDQJYBNDPC-CHWSQXEVSA-N 1 0 320.393 2.837 20 5 DFBDRO Cc1cnc(N2CCC(C[N@@H+](C)C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000078632715 398974663 /nfs/dbraw/zinc/97/46/63/398974663.db2.gz GXKVVVKJSTYTES-UHFFFAOYSA-N 1 0 306.410 2.855 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000194035815 201166902 /nfs/dbraw/zinc/16/69/02/201166902.db2.gz GMUQWZUTSVCYKM-UPJWGTAASA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000194371252 201211398 /nfs/dbraw/zinc/21/13/98/201211398.db2.gz HECHJEKKCYGDBU-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000194643922 201266811 /nfs/dbraw/zinc/26/68/11/201266811.db2.gz FCMRHLBLKREFKQ-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194759799 201284029 /nfs/dbraw/zinc/28/40/29/201284029.db2.gz XDRXVWCOPBZGAL-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000194768802 201286640 /nfs/dbraw/zinc/28/66/40/201286640.db2.gz BFENMDXIIBTSGF-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CCC(CC)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000165355108 398991973 /nfs/dbraw/zinc/99/19/73/398991973.db2.gz SXOMHJYICXRYJG-UHFFFAOYSA-N 1 0 305.378 2.847 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000194947147 201315134 /nfs/dbraw/zinc/31/51/34/201315134.db2.gz WRMSCDFHCZNULL-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000195358586 201383371 /nfs/dbraw/zinc/38/33/71/201383371.db2.gz SGJPHIAIGCXVTJ-UHFFFAOYSA-N 1 0 304.346 2.683 20 5 DFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCc2ccccc2C1 ZINC000195508048 201396543 /nfs/dbraw/zinc/39/65/43/201396543.db2.gz TUDSUKLRFCXJMM-NSHDSACASA-N 1 0 318.402 2.910 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000417859778 296058646 /nfs/dbraw/zinc/05/86/46/296058646.db2.gz WYYWRYCLTYGNAA-CHWSQXEVSA-N 1 0 322.409 2.781 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553482 399013223 /nfs/dbraw/zinc/01/32/23/399013223.db2.gz WQEHRSYSAVYZJK-CABCVRRESA-N 1 0 308.403 2.944 20 5 DFBDRO Cc1cccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000275442367 212334821 /nfs/dbraw/zinc/33/48/21/212334821.db2.gz KKEPDYRCNRKNEM-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+](C1CC1)C1CC1 ZINC000599600352 399026895 /nfs/dbraw/zinc/02/68/95/399026895.db2.gz RLCMOMVCFVCLAZ-UHFFFAOYSA-N 1 0 319.361 2.559 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000595671442 399027737 /nfs/dbraw/zinc/02/77/37/399027737.db2.gz GLUFFCLRIKTOOP-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000599622408 399031705 /nfs/dbraw/zinc/03/17/05/399031705.db2.gz CDGLCAOQZAVEBV-VGAUDOQQSA-N 1 0 305.334 2.638 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599626027 399033669 /nfs/dbraw/zinc/03/36/69/399033669.db2.gz SEGIKRFHGWWWFM-FJBRNLEUSA-N 1 0 300.305 2.775 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595695838 399039227 /nfs/dbraw/zinc/03/92/27/399039227.db2.gz ICAVRHKSNWRXDY-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000595695505 399039251 /nfs/dbraw/zinc/03/92/51/399039251.db2.gz HZFDUKHFYLCKTR-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000595697606 399041194 /nfs/dbraw/zinc/04/11/94/399041194.db2.gz LYTSINIQWXPUQT-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478504162 299367255 /nfs/dbraw/zinc/36/72/55/299367255.db2.gz VKFDGCVFLXLTGS-GFCCVEGCSA-N 1 0 307.394 2.640 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000057714701 399057728 /nfs/dbraw/zinc/05/77/28/399057728.db2.gz QKKUXAAVHUTATR-SNVBAGLBSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000613705381 399065938 /nfs/dbraw/zinc/06/59/38/399065938.db2.gz XXLGQDSUILKEGX-UHFFFAOYSA-N 1 0 320.437 2.731 20 5 DFBDRO C/C=C/C[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690673 399065977 /nfs/dbraw/zinc/06/59/77/399065977.db2.gz OUWIKRSYZKZCTC-YWVDXFKGSA-N 1 0 317.389 2.872 20 5 DFBDRO COC(=O)C1C[C@H](C)[NH+](Cc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000599704991 399071254 /nfs/dbraw/zinc/07/12/54/399071254.db2.gz FRYQJPLUAPWCPG-RYUDHWBXSA-N 1 0 306.362 2.757 20 5 DFBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000271751523 209181651 /nfs/dbraw/zinc/18/16/51/209181651.db2.gz KTOAEKMTNJJELL-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595807793 399091648 /nfs/dbraw/zinc/09/16/48/399091648.db2.gz ANEIMRZBMYXIIC-STQMWFEESA-N 1 0 303.362 2.574 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2ccccc2n1 ZINC000338349730 284103898 /nfs/dbraw/zinc/10/38/98/284103898.db2.gz GRNXKOGPTWRQMN-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419314735 296134027 /nfs/dbraw/zinc/13/40/27/296134027.db2.gz IQFGNIMOXNQRKN-OLZOCXBDSA-N 1 0 305.378 2.608 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000058920193 399102720 /nfs/dbraw/zinc/10/27/20/399102720.db2.gz AQDBEGCZDNJWNT-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419309905 296133846 /nfs/dbraw/zinc/13/38/46/296133846.db2.gz HGKSLABPVIAPLS-RDBSUJKOSA-N 1 0 322.405 2.749 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@H]1CC[NH2+]C1 ZINC000261812224 203122635 /nfs/dbraw/zinc/12/26/35/203122635.db2.gz LYDQNUKUDXOBEG-AWEZNQCLSA-N 1 0 319.405 2.722 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000261996070 203171085 /nfs/dbraw/zinc/17/10/85/203171085.db2.gz NUUCZABIAOKPFQ-ZAQWFSBCSA-N 1 0 317.389 2.995 20 5 DFBDRO Cc1c(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cccc1[N+](=O)[O-] ZINC000595852211 399113538 /nfs/dbraw/zinc/11/35/38/399113538.db2.gz ZJXVBCYHHOCTTB-HNNXBMFYSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1cc(CNc2ccc3c(c2)OCC[NH2+]C3)cs1 ZINC000600679380 399115648 /nfs/dbraw/zinc/11/56/48/399115648.db2.gz JAPMBRCDTIGOAQ-UHFFFAOYSA-N 1 0 305.359 2.750 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000262382485 203278952 /nfs/dbraw/zinc/27/89/52/203278952.db2.gz OAYYLKATRVIJGI-WHOFXGATSA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262509305 203312961 /nfs/dbraw/zinc/31/29/61/203312961.db2.gz MULAEXHKTRUVLS-LNSITVRQSA-N 1 0 305.378 2.680 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683703 399117044 /nfs/dbraw/zinc/11/70/44/399117044.db2.gz XSSLOKXUOSVHBN-WMHQRMGPSA-N 1 0 303.406 2.646 20 5 DFBDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262587320 203340570 /nfs/dbraw/zinc/34/05/70/203340570.db2.gz PVZYOMYVGDLNMV-UHFFFAOYSA-N 1 0 321.421 2.949 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H]1C ZINC000600715505 399122007 /nfs/dbraw/zinc/12/20/07/399122007.db2.gz ZEKBCQQLSORVQW-YNEHKIRRSA-N 1 0 309.435 2.806 20 5 DFBDRO CSCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000093509386 193261765 /nfs/dbraw/zinc/26/17/65/193261765.db2.gz YOEDAYGUIUMQDN-UHFFFAOYSA-N 1 0 320.418 2.790 20 5 DFBDRO CCC[C@](C)([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000262719832 203391801 /nfs/dbraw/zinc/39/18/01/203391801.db2.gz YIDWHOWHVQNXNB-INIZCTEOSA-N 1 0 307.394 2.551 20 5 DFBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000060361108 399125316 /nfs/dbraw/zinc/12/53/16/399125316.db2.gz QJTROASUXBEULU-OAHLLOKOSA-N 1 0 319.405 2.579 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770072 193303341 /nfs/dbraw/zinc/30/33/41/193303341.db2.gz OTSYCICUKFOTAZ-PMGBHYCQSA-N 1 0 303.406 2.882 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600725306 399125734 /nfs/dbraw/zinc/12/57/34/399125734.db2.gz ISSMOKNGXCRGQV-RYUDHWBXSA-N 1 0 317.311 2.554 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900629 399127845 /nfs/dbraw/zinc/12/78/45/399127845.db2.gz IQHMYHDYNPWEJW-AWEZNQCLSA-N 1 0 321.396 2.946 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000094371417 193367063 /nfs/dbraw/zinc/36/70/63/193367063.db2.gz RSWJCXUQJCTDMV-ZFWWWQNUSA-N 1 0 308.403 2.739 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904790 399129425 /nfs/dbraw/zinc/12/94/25/399129425.db2.gz LACLIIVYCUWADR-WMLDXEAASA-N 1 0 321.421 2.698 20 5 DFBDRO COCC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000595911119 399131675 /nfs/dbraw/zinc/13/16/75/399131675.db2.gz NGQIAGPKOJKBQT-UHFFFAOYSA-N 1 0 308.378 2.913 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000595913321 399132733 /nfs/dbraw/zinc/13/27/33/399132733.db2.gz RRXYMDBEBVJBAA-NSHDSACASA-N 1 0 321.377 2.520 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000600759759 399137542 /nfs/dbraw/zinc/13/75/42/399137542.db2.gz HNABQYQKSJZVAX-UKRRQHHQSA-N 1 0 320.389 2.504 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420173707 296160390 /nfs/dbraw/zinc/16/03/90/296160390.db2.gz XPXKRTGGYMNZPP-NWDGAFQWSA-N 1 0 321.377 2.572 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420173704 296160420 /nfs/dbraw/zinc/16/04/20/296160420.db2.gz XPXKRTGGYMNZPP-NEPJUHHUSA-N 1 0 321.377 2.572 20 5 DFBDRO C[NH2+][C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000420159176 296159807 /nfs/dbraw/zinc/15/98/07/296159807.db2.gz HYAKVBOILRAOOI-ZDUSSCGKSA-N 1 0 316.336 2.594 20 5 DFBDRO C[S@](=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000080343262 399139310 /nfs/dbraw/zinc/13/93/10/399139310.db2.gz NXZUBQZRMQBSLM-OAQYLSRUSA-N 1 0 304.371 2.622 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595936229 399139396 /nfs/dbraw/zinc/13/93/96/399139396.db2.gz YJSULUDPJDPZBQ-LBPRGKRZSA-N 1 0 323.418 2.508 20 5 DFBDRO Cc1ccc(C[NH2+]Cc2ccc([S@](C)=O)cc2)cc1[N+](=O)[O-] ZINC000080344092 399139592 /nfs/dbraw/zinc/13/95/92/399139592.db2.gz WFHDRQHJRQGZAY-JOCHJYFZSA-N 1 0 318.398 2.930 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000420207381 296162540 /nfs/dbraw/zinc/16/25/40/296162540.db2.gz QOMAEHOZGOUSHB-NSHDSACASA-N 1 0 309.366 2.619 20 5 DFBDRO Cc1cc(N(C)CC(C)(C)C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420201522 296161967 /nfs/dbraw/zinc/16/19/67/296161967.db2.gz HPXQRRBPTZFTQD-UHFFFAOYSA-N 1 0 302.378 2.873 20 5 DFBDRO Cc1nn(C)c(NC[C@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000420221864 296163342 /nfs/dbraw/zinc/16/33/42/296163342.db2.gz RCCQAHMVBXGVFB-AWEZNQCLSA-N 1 0 317.393 2.872 20 5 DFBDRO CCOC(=O)c1cc(NC[C@]2(C)CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420235428 296164408 /nfs/dbraw/zinc/16/44/08/296164408.db2.gz ZAUHRJYZWDFILN-MRXNPFEDSA-N 1 0 321.377 2.573 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1[NH2+]CCCC1(C)C ZINC000420249230 296165636 /nfs/dbraw/zinc/16/56/36/296165636.db2.gz XWTBPRRIGURNQI-OAHLLOKOSA-N 1 0 307.394 2.931 20 5 DFBDRO C[C@H](c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)N1CC[NH2+]CC1 ZINC000600788036 399145844 /nfs/dbraw/zinc/14/58/44/399145844.db2.gz DYUQJRNWYJMMLW-CYBMUJFWSA-N 1 0 312.373 2.623 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080464212 399149884 /nfs/dbraw/zinc/14/98/84/399149884.db2.gz VVGPNVLCUWHPON-OLZOCXBDSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@H]([NH3+])Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794919 399149919 /nfs/dbraw/zinc/14/99/19/399149919.db2.gz UUZOQTRJSGKCGQ-LBPRGKRZSA-N 1 0 300.358 2.686 20 5 DFBDRO COc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000420262270 296166770 /nfs/dbraw/zinc/16/67/70/296166770.db2.gz ALNZJQJPZTXAKX-NEPJUHHUSA-N 1 0 323.368 2.568 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000420260774 296166865 /nfs/dbraw/zinc/16/68/65/296166865.db2.gz ODPXMHUBJTZSAA-JOCQHMNTSA-N 1 0 307.394 2.918 20 5 DFBDRO COc1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1F ZINC000420272196 296167980 /nfs/dbraw/zinc/16/79/80/296167980.db2.gz LAYODQXDGIWPEG-NEPJUHHUSA-N 1 0 323.368 2.568 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1F ZINC000420269769 296167594 /nfs/dbraw/zinc/16/75/94/296167594.db2.gz GAWJLGYGIRQLJN-CQSZACIVSA-N 1 0 304.325 2.803 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@@H](CO)C1 ZINC000341247755 284259477 /nfs/dbraw/zinc/25/94/77/284259477.db2.gz SVDDXPZGXMBXRX-MGPQQGTHSA-N 1 0 322.430 2.992 20 5 DFBDRO Cc1cc(N2CC[C@H](C)[C@@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420277951 296168451 /nfs/dbraw/zinc/16/84/51/296168451.db2.gz ISBVZYZQTUKZTA-AAEUAGOBSA-N 1 0 314.389 2.873 20 5 DFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420283371 296169229 /nfs/dbraw/zinc/16/92/29/296169229.db2.gz TWIGPGSTGVBQIR-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@@H](C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000341502289 284264012 /nfs/dbraw/zinc/26/40/12/284264012.db2.gz FIOAMNQAOCGBPY-ZDUSSCGKSA-N 1 0 319.405 2.819 20 5 DFBDRO C[NH2+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCC1 ZINC000600825912 399156583 /nfs/dbraw/zinc/15/65/83/399156583.db2.gz VPTYEPYKNYOYRO-UHFFFAOYSA-N 1 0 319.386 2.681 20 5 DFBDRO O=[N+]([O-])c1cc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000596059883 399158881 /nfs/dbraw/zinc/15/88/81/399158881.db2.gz VHODJXADPVWXJT-ZDUSSCGKSA-N 1 0 309.435 2.868 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H](O)C2CC2)o1 ZINC000265104685 204399878 /nfs/dbraw/zinc/39/98/78/204399878.db2.gz UOAUNKQURWCSOD-OAHLLOKOSA-N 1 0 302.330 2.715 20 5 DFBDRO CCc1cc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618569154 399162407 /nfs/dbraw/zinc/16/24/07/399162407.db2.gz MKYCHHRIMGRAJQ-UONOGXRCSA-N 1 0 319.365 2.615 20 5 DFBDRO CCN1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618574643 399164799 /nfs/dbraw/zinc/16/47/99/399164799.db2.gz FFXLXHWCDZFAHK-ZLIFDBKOSA-N 1 0 303.406 2.902 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000080645872 399166291 /nfs/dbraw/zinc/16/62/91/399166291.db2.gz ULVPXKZCKZFFLX-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000080640854 399165872 /nfs/dbraw/zinc/16/58/72/399165872.db2.gz VBXHTLLALDTNOZ-LLVKDONJSA-N 1 0 311.357 2.521 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271729400 209164572 /nfs/dbraw/zinc/16/45/72/209164572.db2.gz OSUAGLHMWSQKEM-IUODEOHRSA-N 1 0 306.362 2.931 20 5 DFBDRO CSc1cccc(C(=O)NC2(C[NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000341939637 284296027 /nfs/dbraw/zinc/29/60/27/284296027.db2.gz DAJOUGJOJIFDCY-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@H]1CCC[C@@](CNc2cc[nH]c(=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000596089242 399169537 /nfs/dbraw/zinc/16/95/37/399169537.db2.gz XBMPUAPFONTFNS-XHDPSFHLSA-N 1 0 308.382 2.618 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584828 399170022 /nfs/dbraw/zinc/17/00/22/399170022.db2.gz OIBGQNULLAIERF-HUUCEWRRSA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cn1cccn1 ZINC000282521230 217058039 /nfs/dbraw/zinc/05/80/39/217058039.db2.gz GLMZZQHLAZMXMD-KGLIPLIRSA-N 1 0 302.378 2.791 20 5 DFBDRO CCn1nccc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596097477 399172115 /nfs/dbraw/zinc/17/21/15/399172115.db2.gz XMCZOVMJGLNVSU-MRXNPFEDSA-N 1 0 314.389 2.922 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596107574 399176027 /nfs/dbraw/zinc/17/60/27/399176027.db2.gz YNHAKFKDELODIJ-SNVBAGLBSA-N 1 0 313.785 2.787 20 5 DFBDRO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282647830 217151081 /nfs/dbraw/zinc/15/10/81/217151081.db2.gz CEDNISCFHICWIT-AWEZNQCLSA-N 1 0 318.352 2.903 20 5 DFBDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614212190 399176576 /nfs/dbraw/zinc/17/65/76/399176576.db2.gz RWYOAKBTZNVFPP-LBPRGKRZSA-N 1 0 307.350 2.575 20 5 DFBDRO COc1cc(N2CC[C@@H](C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596125786 399183236 /nfs/dbraw/zinc/18/32/36/399183236.db2.gz GKFPAZOZHAJRIJ-JTQLQIEISA-N 1 0 313.785 2.645 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342474167 284340333 /nfs/dbraw/zinc/34/03/33/284340333.db2.gz PLVYZMLYNSHCGH-AVGNSLFASA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000600950861 399184380 /nfs/dbraw/zinc/18/43/80/399184380.db2.gz AWIZIGVGTGCWRN-GHMZBOCLSA-N 1 0 317.311 2.867 20 5 DFBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000266057551 205064260 /nfs/dbraw/zinc/06/42/60/205064260.db2.gz PPVWFJMABYXJPF-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000266062579 205068629 /nfs/dbraw/zinc/06/86/29/205068629.db2.gz AWLWDYZTMPCPEE-LBPRGKRZSA-N 1 0 323.368 2.680 20 5 DFBDRO C[NH2+]CCOCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000600952455 399185851 /nfs/dbraw/zinc/18/58/51/399185851.db2.gz XAEWRLCMQKTNEP-UHFFFAOYSA-N 1 0 308.165 2.550 20 5 DFBDRO Cc1cc(N2C[C@@H]([NH3+])C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000600962683 399188548 /nfs/dbraw/zinc/18/85/48/399188548.db2.gz JOICXYQUMDAGHZ-BDAKNGLRSA-N 1 0 314.183 2.592 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccnc3cc([N+](=O)[O-])ccc31)C2 ZINC000600955575 399186817 /nfs/dbraw/zinc/18/68/17/399186817.db2.gz CNJHSYBWYSDSTA-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO CC(C)[NH+](CCCNc1ccc([N+](=O)[O-])c(C(N)=O)c1)C(C)C ZINC000596147571 399191627 /nfs/dbraw/zinc/19/16/27/399191627.db2.gz SVIYNTFNBXHHPC-UHFFFAOYSA-N 1 0 322.409 2.615 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000266161428 205148152 /nfs/dbraw/zinc/14/81/52/205148152.db2.gz ZSOOVDWSQXTAMI-OLZOCXBDSA-N 1 0 301.350 2.584 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000266194910 205172622 /nfs/dbraw/zinc/17/26/22/205172622.db2.gz ZVCZNXQXTWOVDX-MAZHCROVSA-N 1 0 320.389 2.897 20 5 DFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000600997272 399199187 /nfs/dbraw/zinc/19/91/87/399199187.db2.gz UXIFYAKTHNPIBO-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266377007 205303226 /nfs/dbraw/zinc/30/32/26/205303226.db2.gz MLTLRKONXBVOMB-SECBINFHSA-N 1 0 303.309 2.948 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cc(OC)ccc2[N+](=O)[O-])CC1 ZINC000266337065 205277127 /nfs/dbraw/zinc/27/71/27/205277127.db2.gz HQOUUIDFZMYBTR-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000016475241 182045821 /nfs/dbraw/zinc/04/58/21/182045821.db2.gz VCWYVGRVQLRZIY-XQQFMLRXSA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000063728133 399204171 /nfs/dbraw/zinc/20/41/71/399204171.db2.gz VHGHKGKHBCIVEG-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CS[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000342595240 284374793 /nfs/dbraw/zinc/37/47/93/284374793.db2.gz ZENRLVSMYMPEFD-BYCMXARLSA-N 1 0 309.435 2.633 20 5 DFBDRO COCCc1ncc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000601105648 399228734 /nfs/dbraw/zinc/22/87/34/399228734.db2.gz KLAVLYWVCZEBQX-UHFFFAOYSA-N 1 0 321.402 2.573 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105699 399228650 /nfs/dbraw/zinc/22/86/50/399228650.db2.gz MIMXXRYVJLMRNG-YRGRVCCFSA-N 1 0 322.384 2.971 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccnn2CC2CCC2)c1 ZINC000601115439 399232099 /nfs/dbraw/zinc/23/20/99/399232099.db2.gz ZVELJJSIFAVZIY-UHFFFAOYSA-N 1 0 314.389 2.924 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2ncc(F)cc2[N+](=O)[O-])ccc1F ZINC000601117088 399231625 /nfs/dbraw/zinc/23/16/25/399231625.db2.gz XWUGBQDSMNSNEZ-UHFFFAOYSA-N 1 0 322.315 2.942 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601114536 399231864 /nfs/dbraw/zinc/23/18/64/399231864.db2.gz QYHFAOCVIFEFTE-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000601120490 399233615 /nfs/dbraw/zinc/23/36/15/399233615.db2.gz JFDZSWKHATVSHD-CYBMUJFWSA-N 1 0 308.357 2.584 20 5 DFBDRO Cc1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)on1 ZINC000601124252 399234179 /nfs/dbraw/zinc/23/41/79/399234179.db2.gz CNDZGTCCZALHOI-UHFFFAOYSA-N 1 0 300.318 2.705 20 5 DFBDRO C[C@H]1CC(Nc2ccnc3ccc([N+](=O)[O-])cc32)C[C@H](C)O1 ZINC000601135796 399238202 /nfs/dbraw/zinc/23/82/02/399238202.db2.gz INJHPBAYMRMNTR-QWRGUYRKSA-N 1 0 301.346 2.933 20 5 DFBDRO C[NH+]1CCC(n2cc(NCc3csc([N+](=O)[O-])c3)cn2)CC1 ZINC000601148627 399240788 /nfs/dbraw/zinc/24/07/88/399240788.db2.gz FVTMEQCINVAOFE-UHFFFAOYSA-N 1 0 321.406 2.732 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000420945307 296216232 /nfs/dbraw/zinc/21/62/32/296216232.db2.gz RNEGYJIHMBJLDC-KBPBESRZSA-N 1 0 322.405 2.832 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)CC23CCC3)ccc1[N+](=O)[O-] ZINC000420991307 296221336 /nfs/dbraw/zinc/22/13/36/296221336.db2.gz IPBFKZPIKVIQDB-CQSZACIVSA-N 1 0 320.389 2.873 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000601188391 399251206 /nfs/dbraw/zinc/25/12/06/399251206.db2.gz GBFGIJAKQJKUBU-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO C[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1(C)C ZINC000601186246 399250699 /nfs/dbraw/zinc/25/06/99/399250699.db2.gz JXOCZTKLNYZHER-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000601229748 399259885 /nfs/dbraw/zinc/25/98/85/399259885.db2.gz ZPFPVKDPHUBZDX-UHFFFAOYSA-N 1 0 306.410 2.917 20 5 DFBDRO CC1(C)CC(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614823246 399272426 /nfs/dbraw/zinc/27/24/26/399272426.db2.gz QEMBLQDJBQTIEJ-UHFFFAOYSA-N 1 0 306.362 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H](O)C(F)F)CCC2 ZINC000601299363 399272882 /nfs/dbraw/zinc/27/28/82/399272882.db2.gz PUIDMUSGSJICRS-OLZOCXBDSA-N 1 0 300.305 2.578 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300995 399273579 /nfs/dbraw/zinc/27/35/79/399273579.db2.gz OJYXAPCDBGRANM-HOTUBEGUSA-N 1 0 306.284 2.866 20 5 DFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCO1 ZINC000421374386 296250032 /nfs/dbraw/zinc/25/00/32/296250032.db2.gz FRGAVFPRHKHQQQ-STQMWFEESA-N 1 0 324.377 2.659 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cc(C)nc(C)c2)cc1[N+](=O)[O-] ZINC000421383423 296250949 /nfs/dbraw/zinc/25/09/49/296250949.db2.gz OEADSQSUBPXDQM-UHFFFAOYSA-N 1 0 301.346 2.905 20 5 DFBDRO CON1CCC([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000421401813 296252917 /nfs/dbraw/zinc/25/29/17/296252917.db2.gz UYRNLMGKQJBVHZ-ZDUSSCGKSA-N 1 0 307.394 2.531 20 5 DFBDRO C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000608886390 399300564 /nfs/dbraw/zinc/30/05/64/399300564.db2.gz HVTIKUAPELLKII-GFCCVEGCSA-N 1 0 307.394 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000609157454 399307170 /nfs/dbraw/zinc/30/71/70/399307170.db2.gz RFPHOTUCNGFZRB-INIZCTEOSA-N 1 0 300.362 2.671 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000609204296 399309590 /nfs/dbraw/zinc/30/95/90/399309590.db2.gz FCJGVMQYMHNMLT-CQSZACIVSA-N 1 0 322.405 2.976 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1ncc(Br)cc1[N+](=O)[O-] ZINC000044420110 183409038 /nfs/dbraw/zinc/40/90/38/183409038.db2.gz LZMRBSZMPSUJQO-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000601740554 399329292 /nfs/dbraw/zinc/32/92/92/399329292.db2.gz VESNPQNAPKDNQR-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000601740434 399329599 /nfs/dbraw/zinc/32/95/99/399329599.db2.gz SVTRYGYTYYMNKE-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609843443 399333076 /nfs/dbraw/zinc/33/30/76/399333076.db2.gz GJQOCRDAJPTCHM-LBPRGKRZSA-N 1 0 320.393 2.755 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000601791253 399337216 /nfs/dbraw/zinc/33/72/16/399337216.db2.gz IUHPRMNZOPLXPR-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CON1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421877914 296278487 /nfs/dbraw/zinc/27/84/87/296278487.db2.gz MQRPSLNZWWSJPM-INIZCTEOSA-N 1 0 305.378 2.588 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000421896171 296279485 /nfs/dbraw/zinc/27/94/85/296279485.db2.gz PGRGNAUIOFXHNB-INIZCTEOSA-N 1 0 319.405 2.624 20 5 DFBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000274046380 211303912 /nfs/dbraw/zinc/30/39/12/211303912.db2.gz OXLPXMZBZWRGQD-AAEUAGOBSA-N 1 0 317.345 2.764 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cs1 ZINC000284404135 218013630 /nfs/dbraw/zinc/01/36/30/218013630.db2.gz BCOLIDOJZAUMTM-GXTWGEPZSA-N 1 0 305.359 2.671 20 5 DFBDRO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000610080181 399341629 /nfs/dbraw/zinc/34/16/29/399341629.db2.gz QXNXDSAKSLJWLN-HOCLYGCPSA-N 1 0 322.405 2.989 20 5 DFBDRO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000610252142 399350974 /nfs/dbraw/zinc/35/09/74/399350974.db2.gz OZMHSTXIILBAMP-JKSUJKDBSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000104970037 194060697 /nfs/dbraw/zinc/06/06/97/194060697.db2.gz CWRDEDDBDNDETM-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273916183 211171757 /nfs/dbraw/zinc/17/17/57/211171757.db2.gz BBRMBXCYGLGHJY-HOTGVXAUSA-N 1 0 321.446 2.606 20 5 DFBDRO CCC(=O)c1ccc(N[C@H]2C[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000619484863 399352933 /nfs/dbraw/zinc/35/29/33/399352933.db2.gz KKEYXSHDXJNXPL-FZMZJTMJSA-N 1 0 305.378 2.940 20 5 DFBDRO O=C(CC[NH+]1CCC(F)(F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000619516153 399356816 /nfs/dbraw/zinc/35/68/16/399356816.db2.gz PPZNMVKUKGQDKO-UHFFFAOYSA-N 1 0 313.304 2.655 20 5 DFBDRO Cc1nn(C)c(Cl)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448293 194103923 /nfs/dbraw/zinc/10/39/23/194103923.db2.gz GGMLZCYZMPSLEJ-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000284881925 218219177 /nfs/dbraw/zinc/21/91/77/218219177.db2.gz TUCYNQCKWKGOTR-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000284899998 218227430 /nfs/dbraw/zinc/22/74/30/218227430.db2.gz CFJXSCJFUXFEGA-INNHCVQGSA-N 1 0 321.299 2.529 20 5 DFBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284902704 218228912 /nfs/dbraw/zinc/22/89/12/218228912.db2.gz CHXQVRXVTTWUGQ-NORZTCDRSA-N 1 0 307.394 2.889 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610422078 399366358 /nfs/dbraw/zinc/36/63/58/399366358.db2.gz UTOSCBGSGGUXAP-MRRJBJDNSA-N 1 0 319.405 2.892 20 5 DFBDRO CSCCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619613148 399368275 /nfs/dbraw/zinc/36/82/75/399368275.db2.gz JMXWXHUBRZMXGH-UHFFFAOYSA-N 1 0 312.391 2.551 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610469555 399370022 /nfs/dbraw/zinc/37/00/22/399370022.db2.gz MHFLPMASMMHOOS-LBPRGKRZSA-N 1 0 313.423 2.593 20 5 DFBDRO Cn1ccnc1CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105875683 194153251 /nfs/dbraw/zinc/15/32/51/194153251.db2.gz PNOGMLHFPXDGDQ-UHFFFAOYSA-N 1 0 314.389 2.783 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000610476659 399371447 /nfs/dbraw/zinc/37/14/47/399371447.db2.gz STVFFNKLWJIVEI-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO CC[C@@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000422083536 296298220 /nfs/dbraw/zinc/29/82/20/296298220.db2.gz IHJXMJSLVAJVET-CYBMUJFWSA-N 1 0 307.375 2.579 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273736507 211017197 /nfs/dbraw/zinc/01/71/97/211017197.db2.gz NLSLWEJAXZWGQD-VHSXEESVSA-N 1 0 314.769 2.926 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1F ZINC000285174735 218319006 /nfs/dbraw/zinc/31/90/06/218319006.db2.gz BGQFEXAHPKIGPV-KRWDZBQOSA-N 1 0 318.348 2.942 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(C2CCOCC2)C1 ZINC000619726576 399384535 /nfs/dbraw/zinc/38/45/35/399384535.db2.gz JYMDBIHICXYBFX-HYXAFXHYSA-N 1 0 302.374 2.966 20 5 DFBDRO Cc1ccc(NC(=O)C23CCC[NH+](CCC2)C3)cc1[N+](=O)[O-] ZINC000602026916 399387270 /nfs/dbraw/zinc/38/72/70/399387270.db2.gz PDWIITMCUYVHSD-UHFFFAOYSA-N 1 0 303.362 2.718 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000615838931 399387994 /nfs/dbraw/zinc/38/79/94/399387994.db2.gz XXTRRGNDFPEZQI-UDYBNVKDSA-N 1 0 313.361 2.537 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCC[C@@H]2CCO)c(F)c1 ZINC000285337930 218387565 /nfs/dbraw/zinc/38/75/65/218387565.db2.gz OXWHOECYVKMRSR-OTYXRUKQSA-N 1 0 300.305 2.514 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285348766 218392121 /nfs/dbraw/zinc/39/21/21/218392121.db2.gz VCFCSEVAHHYUER-IUODEOHRSA-N 1 0 318.421 2.845 20 5 DFBDRO CCOc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000610675129 399391075 /nfs/dbraw/zinc/39/10/75/399391075.db2.gz KMLGBFLHWYVRBG-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)nc2c1 ZINC000610683066 399392849 /nfs/dbraw/zinc/39/28/49/399392849.db2.gz MOJKWCSSYIJKGK-BXUZGUMPSA-N 1 0 317.345 2.737 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000109966980 194300787 /nfs/dbraw/zinc/30/07/87/194300787.db2.gz URGKRMFBCBTRIO-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000110439636 194330184 /nfs/dbraw/zinc/33/01/84/194330184.db2.gz VNCHMXXOEQQJLN-UHFFFAOYSA-N 1 0 319.405 2.981 20 5 DFBDRO CN(C)c1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000619846232 399396124 /nfs/dbraw/zinc/39/61/24/399396124.db2.gz PODJOEJZOPNBLM-UHFFFAOYSA-N 1 0 314.389 2.730 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)cc1[N+](=O)[O-] ZINC000268860659 207029219 /nfs/dbraw/zinc/02/92/19/207029219.db2.gz DNXDVHIAOWXVIL-LBPRGKRZSA-N 1 0 305.378 2.600 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000110995460 194379512 /nfs/dbraw/zinc/37/95/12/194379512.db2.gz IHNQRSVNSPRBFX-LLVKDONJSA-N 1 0 311.407 2.569 20 5 DFBDRO C[N@H+](CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000602161382 399402826 /nfs/dbraw/zinc/40/28/26/399402826.db2.gz QBSKSJHMWYPXBY-UHFFFAOYSA-N 1 0 321.421 2.924 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000056196876 184007022 /nfs/dbraw/zinc/00/70/22/184007022.db2.gz XPSDYWRMWUUHRK-KBPBESRZSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000057156527 184028633 /nfs/dbraw/zinc/02/86/33/184028633.db2.gz CYNNUQSUAVIDPV-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CCOC(C)(C)C ZINC000610859779 399413208 /nfs/dbraw/zinc/41/32/08/399413208.db2.gz MDVGAAOEZRNMOG-LBPRGKRZSA-N 1 0 323.393 2.669 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000422726963 296322567 /nfs/dbraw/zinc/32/25/67/296322567.db2.gz AZUBSANHVQAHJF-JSGCOSHPSA-N 1 0 305.378 2.554 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC)[C@H](C)C1 ZINC000611092495 399433881 /nfs/dbraw/zinc/43/38/81/399433881.db2.gz VVOIRFGVYWKWJW-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020700 207171743 /nfs/dbraw/zinc/17/17/43/207171743.db2.gz ZZOSZVUJMXWBDW-DOMZBBRYSA-N 1 0 309.435 2.683 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C ZINC000611084579 399433041 /nfs/dbraw/zinc/43/30/41/399433041.db2.gz FQJFTDKKHFOQSZ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cn3cccc(F)c3n2)cc1 ZINC000611118635 399435646 /nfs/dbraw/zinc/43/56/46/399435646.db2.gz MRKHMXQPAJHHDL-UHFFFAOYSA-N 1 0 314.320 2.714 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602438166 399444083 /nfs/dbraw/zinc/44/40/83/399444083.db2.gz CMFMKNZROWPXAJ-INIZCTEOSA-N 1 0 314.389 2.926 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCC(CO)CC1 ZINC000602436934 399444306 /nfs/dbraw/zinc/44/43/06/399444306.db2.gz AVVVNWWSXCRMQU-UHFFFAOYSA-N 1 0 318.295 2.818 20 5 DFBDRO Cn1cc(C[N@H+](C)CCCCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602448930 399446728 /nfs/dbraw/zinc/44/67/28/399446728.db2.gz WHSWUSRMODEWCZ-UHFFFAOYSA-N 1 0 302.378 2.783 20 5 DFBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473325 399453799 /nfs/dbraw/zinc/45/37/99/399453799.db2.gz FNEOCNHXZGDBCV-OAHLLOKOSA-N 1 0 302.378 2.781 20 5 DFBDRO Cc1ccccc1[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602441087 399444736 /nfs/dbraw/zinc/44/47/36/399444736.db2.gz SZCDFCWUZWFYKI-HNNXBMFYSA-N 1 0 300.362 2.974 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)c([N+](=O)[O-])n1 ZINC000602475961 399455964 /nfs/dbraw/zinc/45/59/64/399455964.db2.gz UPCUZNFMFHZQOO-LBPRGKRZSA-N 1 0 320.780 2.971 20 5 DFBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274730 399456463 /nfs/dbraw/zinc/45/64/63/399456463.db2.gz PRBXXNGCDPWDDD-LBPRGKRZSA-N 1 0 324.402 2.693 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000611293390 399458898 /nfs/dbraw/zinc/45/88/98/399458898.db2.gz XSIQXPHMCNYRIL-KAQJZCPUSA-N 1 0 318.373 2.536 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000062979820 184264543 /nfs/dbraw/zinc/26/45/43/184264543.db2.gz WDZJEYWTCZPKIQ-ZDUSSCGKSA-N 1 0 309.797 2.918 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337438 399462983 /nfs/dbraw/zinc/46/29/83/399462983.db2.gz GQZCZSLHSZTUKW-SMDDNHRTSA-N 1 0 308.378 2.805 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCN2Cc3ccccc3C2)cc1 ZINC000602510862 399464403 /nfs/dbraw/zinc/46/44/03/399464403.db2.gz PWRXIAFYJRXZKY-UHFFFAOYSA-N 1 0 311.385 2.743 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(CO)c(F)c2)cc1 ZINC000602522857 399467047 /nfs/dbraw/zinc/46/70/47/399467047.db2.gz YVQBDCZUFBSWCC-UHFFFAOYSA-N 1 0 304.321 2.559 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+]C2CCOCC2)cc1Br ZINC000602518106 399466535 /nfs/dbraw/zinc/46/65/35/399466535.db2.gz NRSRZGMZHKMBHB-UHFFFAOYSA-N 1 0 321.196 2.687 20 5 DFBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346690710 284926100 /nfs/dbraw/zinc/92/61/00/284926100.db2.gz UYFSEVYVABPUBV-ZDUSSCGKSA-N 1 0 301.346 2.649 20 5 DFBDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602533371 399469547 /nfs/dbraw/zinc/46/95/47/399469547.db2.gz XNCIEDXULKULQY-GFCCVEGCSA-N 1 0 317.311 2.797 20 5 DFBDRO CC(C)[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602555668 399474482 /nfs/dbraw/zinc/47/44/82/399474482.db2.gz HFVWZINZSWHNJV-CYBMUJFWSA-N 1 0 306.410 2.840 20 5 DFBDRO CC(C)C([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000611434145 399476263 /nfs/dbraw/zinc/47/62/63/399476263.db2.gz RGXQKMXLNURPFS-UHFFFAOYSA-N 1 0 319.405 2.754 20 5 DFBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563614 399477466 /nfs/dbraw/zinc/47/74/66/399477466.db2.gz NFBOOJCKQRXQJC-BDJLRTHQSA-N 1 0 319.361 2.887 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)c2ccccc2)cc1 ZINC000602564310 399477340 /nfs/dbraw/zinc/47/73/40/399477340.db2.gz SJFDKSRDEOPPFH-INIZCTEOSA-N 1 0 300.358 2.503 20 5 DFBDRO CC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000611444782 399477554 /nfs/dbraw/zinc/47/75/54/399477554.db2.gz HTJWDAHPGJQNGJ-ZDUSSCGKSA-N 1 0 314.389 2.982 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000602577014 399480713 /nfs/dbraw/zinc/48/07/13/399480713.db2.gz FJBKCCJMMHOMKZ-LLVKDONJSA-N 1 0 311.769 2.592 20 5 DFBDRO C[C@H]1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602580677 399481547 /nfs/dbraw/zinc/48/15/47/399481547.db2.gz YKFJYGUXLRAPQQ-UWVGGRQHSA-N 1 0 305.334 2.782 20 5 DFBDRO CSc1ccc(C(=O)NC2(C[NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000602603975 399488045 /nfs/dbraw/zinc/48/80/45/399488045.db2.gz UFSVOEGZFQZALQ-UHFFFAOYSA-N 1 0 323.418 2.708 20 5 DFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602622022 399493309 /nfs/dbraw/zinc/49/33/09/399493309.db2.gz JDXDMPKAJHSLRR-NWDGAFQWSA-N 1 0 318.295 2.863 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCSCC3)CC2)n1 ZINC000602642426 399500168 /nfs/dbraw/zinc/50/01/68/399500168.db2.gz XTWVFOBXKVSMIA-UHFFFAOYSA-N 1 0 310.423 2.571 20 5 DFBDRO C[C@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602639198 399499285 /nfs/dbraw/zinc/49/92/85/399499285.db2.gz WOMYKZPAANBXFR-UONOGXRCSA-N 1 0 318.421 2.984 20 5 DFBDRO CN(CCC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602659608 399506078 /nfs/dbraw/zinc/50/60/78/399506078.db2.gz PFGFMDCBYMRJHQ-UHFFFAOYSA-N 1 0 319.327 2.997 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCSC[C@@H]1CCO ZINC000347365780 285017531 /nfs/dbraw/zinc/01/75/31/285017531.db2.gz UMTMNHOHQBPVIW-WQMJKPAKSA-N 1 0 322.430 2.798 20 5 DFBDRO COCCO[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347386578 285025646 /nfs/dbraw/zinc/02/56/46/285025646.db2.gz YRBDJXDPUGXVNN-IDKBZEPQSA-N 1 0 320.389 2.735 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347395963 285030314 /nfs/dbraw/zinc/03/03/14/285030314.db2.gz CWNCIDQBMACKKL-GFCCVEGCSA-N 1 0 315.377 2.824 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000119170687 194986592 /nfs/dbraw/zinc/98/65/92/194986592.db2.gz JBYLHGRQZSHWNC-XJKCOSOUSA-N 1 0 319.405 2.972 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CCC[C@@H]3CCO3)c2c1 ZINC000602670202 399512911 /nfs/dbraw/zinc/51/29/11/399512911.db2.gz MDAJRBYZCPBYPM-CQSZACIVSA-N 1 0 303.362 2.777 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)[C@H](C)C2CC[NH+](C)CC2)n1 ZINC000347410296 285039054 /nfs/dbraw/zinc/03/90/54/285039054.db2.gz FZWAONNZKKJOKT-CYBMUJFWSA-N 1 0 306.410 2.773 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000422893541 296351939 /nfs/dbraw/zinc/35/19/39/296351939.db2.gz ADWQVZVMNYJYIO-UHFFFAOYSA-N 1 0 307.394 2.775 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H](O)C34CCCC4)nc2c1 ZINC000602672998 399514924 /nfs/dbraw/zinc/51/49/24/399514924.db2.gz ALFLONHASOPEJJ-AWEZNQCLSA-N 1 0 317.345 2.615 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000422896262 296352292 /nfs/dbraw/zinc/35/22/92/296352292.db2.gz HYSFIQRIWFDDEK-AWEZNQCLSA-N 1 0 321.421 2.965 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@@H](C)O ZINC000602679794 399518253 /nfs/dbraw/zinc/51/82/53/399518253.db2.gz BVNBIDFLFRDHDP-KCJUWKMLSA-N 1 0 306.284 2.863 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683791 399519251 /nfs/dbraw/zinc/51/92/51/399519251.db2.gz SNLKZFBWLCQHHC-LBPRGKRZSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@H]1C[C@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687008 399520721 /nfs/dbraw/zinc/52/07/21/399520721.db2.gz UEIHVHMCUXKKLU-CABZTGNLSA-N 1 0 318.295 2.816 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602695593 399524714 /nfs/dbraw/zinc/52/47/14/399524714.db2.gz AXLBXPFHRXYNJI-ZYHUDNBSSA-N 1 0 305.334 2.783 20 5 DFBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286126994 218805461 /nfs/dbraw/zinc/80/54/61/218805461.db2.gz MNGXOLOIUIVOPJ-RRFJBIMHSA-N 1 0 310.419 2.892 20 5 DFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286126991 218805497 /nfs/dbraw/zinc/80/54/97/218805497.db2.gz MNGXOLOIUIVOPJ-RBSFLKMASA-N 1 0 310.419 2.892 20 5 DFBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602704184 399530422 /nfs/dbraw/zinc/53/04/22/399530422.db2.gz GIMSAFWJLOJPLI-VIFPVBQESA-N 1 0 306.284 2.816 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000246621695 285079852 /nfs/dbraw/zinc/07/98/52/285079852.db2.gz NAYKKAHQYQDPTR-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000270144496 208205185 /nfs/dbraw/zinc/20/51/85/208205185.db2.gz QEXIJMKQIGWGKF-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H](c1ccccc1OC)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000347571632 285083492 /nfs/dbraw/zinc/08/34/92/285083492.db2.gz YENNVMGZKIYHGH-AWEZNQCLSA-N 1 0 318.377 2.883 20 5 DFBDRO Cc1ccncc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602711627 399533781 /nfs/dbraw/zinc/53/37/81/399533781.db2.gz SUGQIAIGFOACFR-UHFFFAOYSA-N 1 0 312.329 2.772 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000262503202 285085937 /nfs/dbraw/zinc/08/59/37/285085937.db2.gz MFEALNKVBOTABA-VHSXEESVSA-N 1 0 315.295 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)cn1 ZINC000602729193 399544330 /nfs/dbraw/zinc/54/43/30/399544330.db2.gz SZUFRLQOEJOHGB-OAHLLOKOSA-N 1 0 316.405 2.881 20 5 DFBDRO C[C@@](CO)([NH2+]CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602730410 399544039 /nfs/dbraw/zinc/54/40/39/399544039.db2.gz BZLGDKUEXDJAHM-KRWDZBQOSA-N 1 0 300.358 2.635 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629379 285101730 /nfs/dbraw/zinc/10/17/30/285101730.db2.gz KCJMNZJWJSRGOT-UKRRQHHQSA-N 1 0 319.405 2.894 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000611939923 399546575 /nfs/dbraw/zinc/54/65/75/399546575.db2.gz WFSXMFHNULYGSR-JTQLQIEISA-N 1 0 306.391 2.781 20 5 DFBDRO COc1cc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347637071 285106609 /nfs/dbraw/zinc/10/66/09/285106609.db2.gz HQSKFWMUGMPCNX-LBPRGKRZSA-N 1 0 317.345 2.728 20 5 DFBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CC[NH2+]C1 ZINC000423082949 296376241 /nfs/dbraw/zinc/37/62/41/296376241.db2.gz FWYNJBLQHRNKDP-KOLCDFICSA-N 1 0 317.311 2.701 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272947591 210334692 /nfs/dbraw/zinc/33/46/92/210334692.db2.gz MLMZPKNPFFPPHI-JTQLQIEISA-N 1 0 306.322 2.565 20 5 DFBDRO CCC[C@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000288674778 220339327 /nfs/dbraw/zinc/33/93/27/220339327.db2.gz CLULIYDUPDHORK-INIZCTEOSA-N 1 0 319.361 2.721 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000602773261 399567195 /nfs/dbraw/zinc/56/71/95/399567195.db2.gz ZBMWHDWEMJJPFT-HNNXBMFYSA-N 1 0 314.389 2.898 20 5 DFBDRO CC(C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423169544 296387767 /nfs/dbraw/zinc/38/77/67/296387767.db2.gz WJBWKMIBRIUYKF-BBRMVZONSA-N 1 0 321.421 2.653 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000301536779 285165972 /nfs/dbraw/zinc/16/59/72/285165972.db2.gz AFKDZRSSGPOOOP-HNNXBMFYSA-N 1 0 312.373 2.748 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114482375 285164601 /nfs/dbraw/zinc/16/46/01/285164601.db2.gz LHGFZSQBBVZDOK-CQSZACIVSA-N 1 0 316.361 2.924 20 5 DFBDRO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C(C)C)cc1 ZINC000602798908 399580181 /nfs/dbraw/zinc/58/01/81/399580181.db2.gz HGUHQFIDBGDOAO-OAHLLOKOSA-N 1 0 318.377 2.824 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000602796525 399578518 /nfs/dbraw/zinc/57/85/18/399578518.db2.gz BJTYJQUHWOJEIV-VIFPVBQESA-N 1 0 310.304 2.729 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000602803775 399581276 /nfs/dbraw/zinc/58/12/76/399581276.db2.gz DKPNWXJZUWJVIM-UHFFFAOYSA-N 1 0 304.325 2.518 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000602806133 399582730 /nfs/dbraw/zinc/58/27/30/399582730.db2.gz LVNWRPVFIAKDHO-ONGXEEELSA-N 1 0 320.315 2.763 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)ccc1[N+](=O)[O-] ZINC000347785013 285173294 /nfs/dbraw/zinc/17/32/94/285173294.db2.gz MYKOSCOBJYNKLN-DZGCQCFKSA-N 1 0 322.405 2.832 20 5 DFBDRO C[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000602807145 399583582 /nfs/dbraw/zinc/58/35/82/399583582.db2.gz SJQHLKRYFOXHEZ-LBPRGKRZSA-N 1 0 302.378 2.784 20 5 DFBDRO Cc1cnc(CC[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000157317572 197178821 /nfs/dbraw/zinc/17/88/21/197178821.db2.gz MGOBARKODGCHNK-UHFFFAOYSA-N 1 0 321.402 2.913 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000602807380 399583884 /nfs/dbraw/zinc/58/38/84/399583884.db2.gz YJUIMMGJNCPJNB-MRXNPFEDSA-N 1 0 314.389 2.711 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@]2(C)Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602809336 399584162 /nfs/dbraw/zinc/58/41/62/399584162.db2.gz AZWHQPGHGREJQW-QGZVFWFLSA-N 1 0 314.389 2.926 20 5 DFBDRO CCc1ccc([C@H](NCC[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423239930 296395990 /nfs/dbraw/zinc/39/59/90/296395990.db2.gz GJEZHGCUWVEPGM-MRXNPFEDSA-N 1 0 303.362 2.649 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CC1 ZINC000423274433 296399456 /nfs/dbraw/zinc/39/94/56/296399456.db2.gz KLXKYQXMKLSDHK-QWHCGFSZSA-N 1 0 309.435 2.792 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000156681015 197132804 /nfs/dbraw/zinc/13/28/04/197132804.db2.gz MVXVKKZXDTZMRJ-WFASDCNBSA-N 1 0 307.394 2.667 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1ccnc1 ZINC000156505595 197119328 /nfs/dbraw/zinc/11/93/28/197119328.db2.gz CBYILABZBZOTQU-BBRMVZONSA-N 1 0 300.362 2.874 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000156029469 197081782 /nfs/dbraw/zinc/08/17/82/197081782.db2.gz VQSHPVBYBPQEBB-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000156029345 197081497 /nfs/dbraw/zinc/08/14/97/197081497.db2.gz VQSHPVBYBPQEBB-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1ccc([C@@H](CNC(=O)CCC(C)(C)[N+](=O)[O-])[NH+](C)C)cc1 ZINC000294719234 224191252 /nfs/dbraw/zinc/19/12/52/224191252.db2.gz MKNYMDDAOFVZEA-OAHLLOKOSA-N 1 0 321.421 2.549 20 5 DFBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000602873581 399611019 /nfs/dbraw/zinc/61/10/19/399611019.db2.gz PWLCARLJFJPHHP-SECBINFHSA-N 1 0 302.325 2.632 20 5 DFBDRO Cc1ccc([C@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000294795047 224226410 /nfs/dbraw/zinc/22/64/10/224226410.db2.gz BTCYFRXSOVIXDH-HNNXBMFYSA-N 1 0 315.377 2.716 20 5 DFBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803985 224232415 /nfs/dbraw/zinc/23/24/15/224232415.db2.gz PCRYZEVLVCOLSH-XZJROXQQSA-N 1 0 307.394 2.769 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2c2cn[nH]c2)c1 ZINC000602881453 399614798 /nfs/dbraw/zinc/61/47/98/399614798.db2.gz QNDXCFYVGVMBIS-OAHLLOKOSA-N 1 0 302.334 2.534 20 5 DFBDRO C[C@@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271554649 209007513 /nfs/dbraw/zinc/00/75/13/209007513.db2.gz SOPQKFANDUSHRG-WBMJQRKESA-N 1 0 318.348 2.988 20 5 DFBDRO Cn1cc(C2=CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000602890237 399617041 /nfs/dbraw/zinc/61/70/41/399617041.db2.gz ZAIUGHZPUSCMBY-UHFFFAOYSA-N 1 0 312.373 2.660 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1c1ncccn1 ZINC000602895997 399618259 /nfs/dbraw/zinc/61/82/59/399618259.db2.gz FBPIHVHXJVKROU-CQSZACIVSA-N 1 0 314.345 2.601 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612530 209059317 /nfs/dbraw/zinc/05/93/17/209059317.db2.gz CRDQOCGKPOOYJA-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423596506 296432051 /nfs/dbraw/zinc/43/20/51/296432051.db2.gz RRUMMKONAAAFEI-STQMWFEESA-N 1 0 305.378 2.718 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000423617747 296434145 /nfs/dbraw/zinc/43/41/45/296434145.db2.gz TUZXBASHKOCVHH-VXGBXAGGSA-N 1 0 305.378 2.541 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000602925813 399630149 /nfs/dbraw/zinc/63/01/49/399630149.db2.gz DSJUTGSGUNDKRA-OZVIIMIRSA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000289703090 221165777 /nfs/dbraw/zinc/16/57/77/221165777.db2.gz ORQUSLQFULBLLG-HOCLYGCPSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000289705852 221168243 /nfs/dbraw/zinc/16/82/43/221168243.db2.gz DSAXBGDSBLQXSP-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000423682215 296438657 /nfs/dbraw/zinc/43/86/57/296438657.db2.gz GJMKRSPRLJBOMU-ZFWWWQNUSA-N 1 0 317.389 2.542 20 5 DFBDRO Cc1ccc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1[N+](=O)[O-] ZINC000289840736 221263454 /nfs/dbraw/zinc/26/34/54/221263454.db2.gz PIXKVNQIDMBKRM-HOCLYGCPSA-N 1 0 303.406 2.962 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000289858946 221274941 /nfs/dbraw/zinc/27/49/41/221274941.db2.gz GIFRLZYLWDIKNN-QLFBSQMISA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@H]1C[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@@H+]1C1CC1 ZINC000612447837 399653690 /nfs/dbraw/zinc/65/36/90/399653690.db2.gz XQLBILRMXGRGCF-WDEREUQCSA-N 1 0 313.361 2.575 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c(F)c1 ZINC000602997226 399654271 /nfs/dbraw/zinc/65/42/71/399654271.db2.gz GAKQOQXXQOGANT-IMJJTQAJSA-N 1 0 308.353 2.859 20 5 DFBDRO CCC1([NH+](C)C)CCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000602967775 399642629 /nfs/dbraw/zinc/64/26/29/399642629.db2.gz QPSUIKCSOGTYLJ-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000612402178 399643413 /nfs/dbraw/zinc/64/34/13/399643413.db2.gz TURUCBFCCKHTIK-ZDUSSCGKSA-N 1 0 306.362 2.549 20 5 DFBDRO CCC[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000121930344 195376081 /nfs/dbraw/zinc/37/60/81/195376081.db2.gz DVNKATHZWSNMFJ-MRXNPFEDSA-N 1 0 321.421 2.528 20 5 DFBDRO Cc1c(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423792251 296448755 /nfs/dbraw/zinc/44/87/55/296448755.db2.gz BLBGTAQXNHRTBO-GJZGRUSLSA-N 1 0 319.405 2.817 20 5 DFBDRO Cc1nn(CC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322834 399744007 /nfs/dbraw/zinc/74/40/07/399744007.db2.gz VIBJEVQFWNLHRQ-TXEJJXNPSA-N 1 0 317.393 2.626 20 5 DFBDRO C[C@@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294695356 533513565 /nfs/dbraw/zinc/51/35/65/533513565.db2.gz ISZTYFNRCYPKBB-BMIGLBTASA-N 1 0 319.336 2.700 20 5 DFBDRO C[C@@H](CCO)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000297454948 533622481 /nfs/dbraw/zinc/62/24/81/533622481.db2.gz XGJOTEZCTXAIDS-CZUORRHYSA-N 1 0 306.406 2.914 20 5 DFBDRO O=C(NC[C@H]1CC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000272976718 130078453 /nfs/dbraw/zinc/07/84/53/130078453.db2.gz CJXYODHMNAREAQ-ZDUSSCGKSA-N 1 0 305.381 2.727 20 5 DFBDRO CN(CCCC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000603424481 399772748 /nfs/dbraw/zinc/77/27/48/399772748.db2.gz YBDIUFHLSUHAOK-UHFFFAOYSA-N 1 0 310.373 2.831 20 5 DFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000603414260 399770119 /nfs/dbraw/zinc/77/01/19/399770119.db2.gz PQKIEVCAXAEFGH-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000366627101 131021897 /nfs/dbraw/zinc/02/18/97/131021897.db2.gz LTQPVERTKILZKN-CQSZACIVSA-N 1 0 320.389 2.852 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000366650166 131282727 /nfs/dbraw/zinc/28/27/27/131282727.db2.gz DTQDVQPPRDCUTN-HIFRSBDPSA-N 1 0 302.330 2.711 20 5 DFBDRO C[C@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000617762897 399793759 /nfs/dbraw/zinc/79/37/59/399793759.db2.gz OYBSOGDYWLHGNE-NSHDSACASA-N 1 0 314.345 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[C@H]3O)s2)cc1 ZINC000424201960 296492735 /nfs/dbraw/zinc/49/27/35/296492735.db2.gz PMSIXUJJMUDDCX-ZIAGYGMSSA-N 1 0 304.371 2.936 20 5 DFBDRO CCOC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000348468772 285558952 /nfs/dbraw/zinc/55/89/52/285558952.db2.gz LCUDQWCCQBFSLJ-HNNXBMFYSA-N 1 0 324.377 2.612 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000222949272 542885331 /nfs/dbraw/zinc/88/53/31/542885331.db2.gz PEKSZPYWFWUZIH-KRWDZBQOSA-N 1 0 300.358 2.678 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261607535 542952271 /nfs/dbraw/zinc/95/22/71/542952271.db2.gz APIYVRJUKWBLIV-OAHLLOKOSA-N 1 0 319.405 2.851 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348754184 285659277 /nfs/dbraw/zinc/65/92/77/285659277.db2.gz JVYWHUNPYJSILG-BBRMVZONSA-N 1 0 315.373 2.725 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCCSC2)n1 ZINC000331862036 296518676 /nfs/dbraw/zinc/51/86/76/296518676.db2.gz FSPWBXZJXGVGLV-FRRDWIJNSA-N 1 0 310.423 2.760 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302825736 543047658 /nfs/dbraw/zinc/04/76/58/543047658.db2.gz HCAAEQPMZRKYKQ-LBPRGKRZSA-N 1 0 304.394 2.849 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccc2c[nH+]cn2c1 ZINC000339831866 543148639 /nfs/dbraw/zinc/14/86/39/543148639.db2.gz WFQGJBVZFZQKNQ-UHFFFAOYSA-N 1 0 310.313 2.515 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349285772 285824898 /nfs/dbraw/zinc/82/48/98/285824898.db2.gz SMNOGHFFARXFKV-ZWNOBZJWSA-N 1 0 320.311 2.819 20 5 DFBDRO CC(C)[C@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000165364664 145229437 /nfs/dbraw/zinc/22/94/37/145229437.db2.gz HYJBXSBBLOZOGI-DOTOQJQBSA-N 1 0 306.406 2.913 20 5 DFBDRO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173462400 145344166 /nfs/dbraw/zinc/34/41/66/145344166.db2.gz TYWOFOZURILYAD-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)c1 ZINC000174822750 145391789 /nfs/dbraw/zinc/39/17/89/145391789.db2.gz HYTYUQYPGURMMN-OAHLLOKOSA-N 1 0 318.352 2.638 20 5 DFBDRO C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653185 145528428 /nfs/dbraw/zinc/52/84/28/145528428.db2.gz BENCSTVEQINNSI-LBPRGKRZSA-N 1 0 313.357 2.587 20 5 DFBDRO CC[C@@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000233892989 146017971 /nfs/dbraw/zinc/01/79/71/146017971.db2.gz ZOYSPKMQJMYBDZ-MRVPVSSYSA-N 1 0 302.172 2.815 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000452072341 543366959 /nfs/dbraw/zinc/36/69/59/543366959.db2.gz SSCAKOARNWJQSZ-RWMBFGLXSA-N 1 0 319.405 2.998 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246669923 146147957 /nfs/dbraw/zinc/14/79/57/146147957.db2.gz MBDOEGIJIAKKTM-LRDDRELGSA-N 1 0 306.362 2.604 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000249698503 146203518 /nfs/dbraw/zinc/20/35/18/146203518.db2.gz CUOACFFTVDJHKV-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000250111865 146209756 /nfs/dbraw/zinc/20/97/56/146209756.db2.gz LSUNHOUWBJEICX-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[N@@H+]3CCC[C@H]3C2)ccc1Cl ZINC000250889265 146212320 /nfs/dbraw/zinc/21/23/20/146212320.db2.gz KUSHCCZCSHKALP-ZDUSSCGKSA-N 1 0 309.797 2.918 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000255029013 146230726 /nfs/dbraw/zinc/23/07/26/146230726.db2.gz TVEVAJJLSAUZAJ-WUKHSURWSA-N 1 0 303.406 2.882 20 5 DFBDRO CC(C)C[NH+]1CCN(C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255025085 146231020 /nfs/dbraw/zinc/23/10/20/146231020.db2.gz KVYLTULBLCNWAC-ALCCZGGFSA-N 1 0 303.406 2.882 20 5 DFBDRO CC(=O)N(C)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255035087 146231640 /nfs/dbraw/zinc/23/16/40/146231640.db2.gz ZEOHDFMMHADAKN-ALCCZGGFSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261650834 146253564 /nfs/dbraw/zinc/25/35/64/146253564.db2.gz FIJQNEMBRDUWJT-HNNXBMFYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261798580 146278861 /nfs/dbraw/zinc/27/88/61/146278861.db2.gz URFKLACFMOUVSC-OAHLLOKOSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000261849619 146289032 /nfs/dbraw/zinc/28/90/32/146289032.db2.gz JHCXLPBKHCHMAW-HNNXBMFYSA-N 1 0 313.357 2.902 20 5 DFBDRO Cc1c(CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000261892795 146296228 /nfs/dbraw/zinc/29/62/28/146296228.db2.gz NZQXBMFTNUYJDR-OCCSQVGLSA-N 1 0 319.405 2.545 20 5 DFBDRO C[C@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000261926364 146302737 /nfs/dbraw/zinc/30/27/37/146302737.db2.gz ISHVHAHPJKPMCY-AAEUAGOBSA-N 1 0 300.362 2.943 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000261983948 146314772 /nfs/dbraw/zinc/31/47/72/146314772.db2.gz RVMCBZCCBDHANO-GFCCVEGCSA-N 1 0 300.362 2.708 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3sccn3c2[N+](=O)[O-])C[C@@H]1C ZINC000354355984 147006048 /nfs/dbraw/zinc/00/60/48/147006048.db2.gz ZCIYABFXOKODJR-QWRGUYRKSA-N 1 0 323.422 2.613 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000354538223 147071353 /nfs/dbraw/zinc/07/13/53/147071353.db2.gz LALQSFZYJJAPCF-CQSZACIVSA-N 1 0 319.405 2.590 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000354869994 147185240 /nfs/dbraw/zinc/18/52/40/147185240.db2.gz QWYCCUQLOKFLNB-WDEREUQCSA-N 1 0 302.334 2.875 20 5 DFBDRO CC1(C)CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000357813017 148133630 /nfs/dbraw/zinc/13/36/30/148133630.db2.gz SHKAOELCCLCTJP-HNNXBMFYSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214540 148288165 /nfs/dbraw/zinc/28/81/65/148288165.db2.gz VHWGCHVKUMKJBL-HZPDHXFCSA-N 1 0 308.378 2.599 20 5 DFBDRO CC(=O)NC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350351478 286031002 /nfs/dbraw/zinc/03/10/02/286031002.db2.gz ILBWMTTZQYRKRW-UHFFFAOYSA-N 1 0 319.405 2.782 20 5 DFBDRO COC(=O)c1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)c[nH]1 ZINC000358278816 148315903 /nfs/dbraw/zinc/31/59/03/148315903.db2.gz MVIJSVPXOSNRQV-UHFFFAOYSA-N 1 0 317.345 2.734 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318724 148328289 /nfs/dbraw/zinc/32/82/89/148328289.db2.gz NDWNSBSNVHCMGH-DZGCQCFKSA-N 1 0 320.389 2.974 20 5 DFBDRO CC[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358347585 148336419 /nfs/dbraw/zinc/33/64/19/148336419.db2.gz CCOXRRIPUBBALT-CMPLNLGQSA-N 1 0 306.284 2.949 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000358352117 148338581 /nfs/dbraw/zinc/33/85/81/148338581.db2.gz MSTOIAXDOKWAKT-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000358356179 148340196 /nfs/dbraw/zinc/34/01/96/148340196.db2.gz OOLWMSFKDFZNBU-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1cnccc1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000361041178 149016185 /nfs/dbraw/zinc/01/61/85/149016185.db2.gz CQHCWRPXXPSVNH-UHFFFAOYSA-N 1 0 312.373 2.794 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCCCC[NH+](C)C ZINC000361220499 149058157 /nfs/dbraw/zinc/05/81/57/149058157.db2.gz LGTWDZQJUWWSII-OAHLLOKOSA-N 1 0 321.421 2.622 20 5 DFBDRO Cc1noc([C@@H](C)[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000361610283 149166770 /nfs/dbraw/zinc/16/67/70/149166770.db2.gz MALUTEQJWKRPCB-GHMZBOCLSA-N 1 0 304.350 2.958 20 5 DFBDRO Cc1c(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000362740728 149355703 /nfs/dbraw/zinc/35/57/03/149355703.db2.gz KDPFWOCPJHJZCI-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO COCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426293755 296622946 /nfs/dbraw/zinc/62/29/46/296622946.db2.gz HTBLPVUONZBLHR-QWHCGFSZSA-N 1 0 310.398 2.537 20 5 DFBDRO CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000368789695 149700051 /nfs/dbraw/zinc/70/00/51/149700051.db2.gz FCXDHPWWHPFVAX-CJNGLKHVSA-N 1 0 319.405 2.942 20 5 DFBDRO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000368789696 149700182 /nfs/dbraw/zinc/70/01/82/149700182.db2.gz FCXDHPWWHPFVAX-CZUORRHYSA-N 1 0 319.405 2.942 20 5 DFBDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000351501163 286137070 /nfs/dbraw/zinc/13/70/70/286137070.db2.gz IPMUOYVNLNLZSB-MELADBBJSA-N 1 0 324.425 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1C=CC[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000371332864 150025327 /nfs/dbraw/zinc/02/53/27/150025327.db2.gz BJTVKRVVPPQNAX-ZRFDWSJLSA-N 1 0 313.361 2.606 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371331257 150025415 /nfs/dbraw/zinc/02/54/15/150025415.db2.gz GFARFZCGEBRMIC-CFSAUIFESA-N 1 0 302.374 2.966 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000372056565 150131137 /nfs/dbraw/zinc/13/11/37/150131137.db2.gz RJFSIPGEBKFRCY-DOMZBBRYSA-N 1 0 314.389 2.786 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000372811422 150186815 /nfs/dbraw/zinc/18/68/15/150186815.db2.gz FMTOWAYTLRULJY-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000373112381 150232960 /nfs/dbraw/zinc/23/29/60/150232960.db2.gz KWUPFYFHKRDGLK-RHSMWYFYSA-N 1 0 319.405 2.816 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292852 150338349 /nfs/dbraw/zinc/33/83/49/150338349.db2.gz OGTOKIAHJVZWNI-CQSZACIVSA-N 1 0 303.362 2.798 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351862508 286233952 /nfs/dbraw/zinc/23/39/52/286233952.db2.gz PRHJYUWBTRMJSP-STQMWFEESA-N 1 0 307.394 2.551 20 5 DFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286403501 286231268 /nfs/dbraw/zinc/23/12/68/286231268.db2.gz PUJPZBDPDUBCLP-RYUDHWBXSA-N 1 0 323.368 2.806 20 5 DFBDRO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000427353826 296654515 /nfs/dbraw/zinc/65/45/15/296654515.db2.gz CVCIEUXOGMZVTF-CHWSQXEVSA-N 1 0 305.378 2.552 20 5 DFBDRO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000352184074 286313935 /nfs/dbraw/zinc/31/39/35/286313935.db2.gz MIDLJKFWJLWCPF-MXWKQRLJSA-N 1 0 309.341 2.934 20 5 DFBDRO COc1ccc([C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000091399908 286375919 /nfs/dbraw/zinc/37/59/19/286375919.db2.gz UZUDSIUGJBNTNP-MRXNPFEDSA-N 1 0 318.377 2.787 20 5 DFBDRO COCC[C@@H](COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353077601 286545557 /nfs/dbraw/zinc/54/55/57/286545557.db2.gz FFQKZHFKTXFQQG-AWEZNQCLSA-N 1 0 310.394 2.859 20 5 DFBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353135924 286559713 /nfs/dbraw/zinc/55/97/13/286559713.db2.gz KCHXKLQHBKTUCA-ABAIWWIYSA-N 1 0 300.362 2.883 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000353208162 286579733 /nfs/dbraw/zinc/57/97/33/286579733.db2.gz KEZGCQLEDDFFSJ-LBPRGKRZSA-N 1 0 324.377 2.671 20 5 DFBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246275240 158083185 /nfs/dbraw/zinc/08/31/85/158083185.db2.gz MVFQLOJHWBRCKE-DLBZAZTESA-N 1 0 315.373 2.804 20 5 DFBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246981396 158111661 /nfs/dbraw/zinc/11/16/61/158111661.db2.gz FNYABQNAYTYCKG-NVXWUHKLSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000247060164 158116742 /nfs/dbraw/zinc/11/67/42/158116742.db2.gz XFDSEVWFYSEBRR-RYUDHWBXSA-N 1 0 323.418 2.664 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000247175279 158122271 /nfs/dbraw/zinc/12/22/71/158122271.db2.gz STFMTPOOPPBNDW-IPYPFGDCSA-N 1 0 308.378 2.748 20 5 DFBDRO COCCOC[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247186583 158122613 /nfs/dbraw/zinc/12/26/13/158122613.db2.gz BOJFTQNFLZBCJP-ZIAGYGMSSA-N 1 0 308.378 2.641 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252566857 158206071 /nfs/dbraw/zinc/20/60/71/158206071.db2.gz ZWRAAFGVBNHGDW-NWDGAFQWSA-N 1 0 311.769 2.523 20 5 DFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000354584305 158233572 /nfs/dbraw/zinc/23/35/72/158233572.db2.gz ZEBNSGAYECNZEF-UHFFFAOYSA-N 1 0 313.304 2.870 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354984393 158248440 /nfs/dbraw/zinc/24/84/40/158248440.db2.gz PHHVXSCBADRUTA-JGGQBBKZSA-N 1 0 308.378 2.748 20 5 DFBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C1C[NH2+]C1 ZINC000357054475 158356580 /nfs/dbraw/zinc/35/65/80/158356580.db2.gz QAYAEDFBZXDZHB-UHFFFAOYSA-N 1 0 321.764 2.912 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000358378361 158374144 /nfs/dbraw/zinc/37/41/44/158374144.db2.gz VAMUBLDYLRHXBP-NXEZZACHSA-N 1 0 306.284 2.867 20 5 DFBDRO CC[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000359432583 158423698 /nfs/dbraw/zinc/42/36/98/158423698.db2.gz WIEHCIBXEVQOTA-DLBZAZTESA-N 1 0 322.405 2.813 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C1CCOCC1 ZINC000430215508 296777718 /nfs/dbraw/zinc/77/77/18/296777718.db2.gz CKFLGBZVPLZSFD-OAHLLOKOSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000430809069 296808431 /nfs/dbraw/zinc/80/84/31/296808431.db2.gz COSBOZVHYBLFPW-CHWSQXEVSA-N 1 0 323.393 2.818 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090178598 287065433 /nfs/dbraw/zinc/06/54/33/287065433.db2.gz KXMAXHIZIUSLSD-YPMHNXCESA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Cl)c1 ZINC000130989849 196129209 /nfs/dbraw/zinc/12/92/09/196129209.db2.gz RJEKERDAKAIQBW-SECBINFHSA-N 1 0 312.732 2.935 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000133262520 196326293 /nfs/dbraw/zinc/32/62/93/196326293.db2.gz WVJJXPFRVMVRPW-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000134132409 196364699 /nfs/dbraw/zinc/36/46/99/196364699.db2.gz GLNFXNCBNRTDIH-SOUVJXGZSA-N 1 0 321.421 2.663 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134411490 196388584 /nfs/dbraw/zinc/38/85/84/196388584.db2.gz HIPQVVPLSSINNP-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000296673767 226109434 /nfs/dbraw/zinc/10/94/34/226109434.db2.gz HGRSHWZPVYTEMQ-GFCCVEGCSA-N 1 0 307.369 2.650 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000296703498 226141691 /nfs/dbraw/zinc/14/16/91/226141691.db2.gz IIBWZZZJZUYUJC-NWANDNLSSA-N 1 0 319.405 2.988 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000290515994 221712211 /nfs/dbraw/zinc/71/22/11/221712211.db2.gz NIULMEMADQFVMP-INIZCTEOSA-N 1 0 324.352 2.851 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291236695 222246458 /nfs/dbraw/zinc/24/64/58/222246458.db2.gz KUGGACTWSGQONA-GOSISDBHSA-N 1 0 312.369 2.731 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000298139778 228377487 /nfs/dbraw/zinc/37/74/87/228377487.db2.gz DAJRIPJFAIQRSS-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO O=C(NCCCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])[nH]1 ZINC000299315549 229046771 /nfs/dbraw/zinc/04/67/71/229046771.db2.gz NSFJZXDBOHXDNA-UHFFFAOYSA-N 1 0 322.409 2.699 20 5 DFBDRO Cc1cc(NC2CC[NH+](C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302000789 230027437 /nfs/dbraw/zinc/02/74/37/230027437.db2.gz IXJIDYHTYBYLOE-UHFFFAOYSA-N 1 0 300.362 2.958 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302043607 230058798 /nfs/dbraw/zinc/05/87/98/230058798.db2.gz JKBNETFDITZQCA-UHFFFAOYSA-N 1 0 315.320 2.727 20 5 DFBDRO COCCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066379580 425904035 /nfs/dbraw/zinc/90/40/35/425904035.db2.gz ARTSMOSBHORLIR-LLVKDONJSA-N 1 0 320.349 2.674 20 5 DFBDRO C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067378515 425910102 /nfs/dbraw/zinc/91/01/02/425910102.db2.gz PZZGYHZADNCUNS-XJKSGUPXSA-N 1 0 317.389 2.822 20 5 DFBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000068116809 425916048 /nfs/dbraw/zinc/91/60/48/425916048.db2.gz UTXQGVKRIOLTOL-SUMWQHHRSA-N 1 0 319.405 2.835 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000027770800 267391183 /nfs/dbraw/zinc/39/11/83/267391183.db2.gz QYAUGUASUHAATR-VFNNOXKTSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030283790 267393711 /nfs/dbraw/zinc/39/37/11/267393711.db2.gz HGHCZLFPXSQDBM-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178684954 267665289 /nfs/dbraw/zinc/66/52/89/267665289.db2.gz FPSFSMSJRFSTGY-NWDGAFQWSA-N 1 0 307.394 2.857 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649006 425848871 /nfs/dbraw/zinc/84/88/71/425848871.db2.gz RKWPCQMNWOVIKN-LLVKDONJSA-N 1 0 309.797 2.822 20 5 DFBDRO CC(C)COC[C@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192722819 268046960 /nfs/dbraw/zinc/04/69/60/268046960.db2.gz GZFGYNBUUQIYIM-WBVHZDCISA-N 1 0 322.405 2.595 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000195236872 268130229 /nfs/dbraw/zinc/13/02/29/268130229.db2.gz BEAPRVAWQPOVMR-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236768718 268150742 /nfs/dbraw/zinc/15/07/42/268150742.db2.gz QJWODFGZBBLSRL-DYLGSBMWSA-N 1 0 323.368 2.579 20 5 DFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447290 268249869 /nfs/dbraw/zinc/24/98/69/268249869.db2.gz CJCHSMZHKXFNKQ-RYUDHWBXSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277862079 268265484 /nfs/dbraw/zinc/26/54/84/268265484.db2.gz JYVGQACDHUZIRZ-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000278084692 268267215 /nfs/dbraw/zinc/26/72/15/268267215.db2.gz XOWFXFHXTXEOCW-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000289541955 268280773 /nfs/dbraw/zinc/28/07/73/268280773.db2.gz WXJGAMYHPIFPES-JLJPHGGASA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000296260211 268300857 /nfs/dbraw/zinc/30/08/57/268300857.db2.gz OCFUQCCOJJFJNM-BPLDGKMQSA-N 1 0 306.337 2.781 20 5 DFBDRO C[NH+](C)CCOc1ccccc1CNc1ncccc1[N+](=O)[O-] ZINC000299312647 268319861 /nfs/dbraw/zinc/31/98/61/268319861.db2.gz HEAOTBJAFHNMQK-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO COc1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000308636398 268335535 /nfs/dbraw/zinc/33/55/35/268335535.db2.gz ROWPIGHMPQUAHP-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723577 268358838 /nfs/dbraw/zinc/35/88/38/268358838.db2.gz LUPYQAITKJJJTG-GXTWGEPZSA-N 1 0 317.389 2.604 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107631823 425997933 /nfs/dbraw/zinc/99/79/33/425997933.db2.gz QDKGOHVDYNCYJF-MRXNPFEDSA-N 1 0 317.389 2.685 20 5 DFBDRO CCOCC[N@H+](CC)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000107679899 426000489 /nfs/dbraw/zinc/00/04/89/426000489.db2.gz GLKWZOVXADMVKY-UHFFFAOYSA-N 1 0 323.393 2.590 20 5 DFBDRO Cc1c(CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000125265070 425961786 /nfs/dbraw/zinc/96/17/86/425961786.db2.gz GPEUKBKZMCGPLM-CYBMUJFWSA-N 1 0 321.421 2.538 20 5 DFBDRO CC[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CC1 ZINC000070014883 425966634 /nfs/dbraw/zinc/96/66/34/425966634.db2.gz JOQTZVQHSBZVQJ-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000125440538 425971965 /nfs/dbraw/zinc/97/19/65/425971965.db2.gz MMELFLXMHSJXQN-QWHCGFSZSA-N 1 0 305.378 2.962 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000112080051 426064311 /nfs/dbraw/zinc/06/43/11/426064311.db2.gz FQZSOOHWLPXILK-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458701 426064792 /nfs/dbraw/zinc/06/47/92/426064792.db2.gz ZGUKSJGCEXGPSS-VIFPVBQESA-N 1 0 317.183 2.560 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Cn1ccnc1 ZINC000072074856 426009477 /nfs/dbraw/zinc/00/94/77/426009477.db2.gz FMPSACUQSWIAIA-CYBMUJFWSA-N 1 0 318.377 2.616 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](CC2CC2)CC1 ZINC000163341568 426097849 /nfs/dbraw/zinc/09/78/49/426097849.db2.gz OJWNSSBSTCFZRC-UHFFFAOYSA-N 1 0 309.797 2.776 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113226564 426107108 /nfs/dbraw/zinc/10/71/08/426107108.db2.gz VEVUNVQUZZYRMO-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077323855 426127705 /nfs/dbraw/zinc/12/77/05/426127705.db2.gz FPTKOXVBUQHDGP-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CC[NH+](CC2CCCC2)CC1 ZINC000077359322 426128561 /nfs/dbraw/zinc/12/85/61/426128561.db2.gz XBMYPCZEVFHWJK-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000162681234 426073092 /nfs/dbraw/zinc/07/30/92/426073092.db2.gz QXOMNYMFOWFZSG-CYBMUJFWSA-N 1 0 320.393 2.627 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075538032 426075666 /nfs/dbraw/zinc/07/56/66/426075666.db2.gz SVBAHJINPVGORS-ZDUSSCGKSA-N 1 0 320.393 2.790 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075538033 426075903 /nfs/dbraw/zinc/07/59/03/426075903.db2.gz SVBAHJINPVGORS-CYBMUJFWSA-N 1 0 320.393 2.790 20 5 DFBDRO CCCC[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000075634310 426080417 /nfs/dbraw/zinc/08/04/17/426080417.db2.gz BWEMDZCWFMJYES-UHFFFAOYSA-N 1 0 305.378 2.606 20 5 DFBDRO Cc1c(CC(=O)N[C@H](CC(C)C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000163014401 426086679 /nfs/dbraw/zinc/08/66/79/426086679.db2.gz OTTFIPAWEPPYLE-OAHLLOKOSA-N 1 0 321.421 2.538 20 5 DFBDRO COc1ccc(C[NH2+]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000171676054 426202989 /nfs/dbraw/zinc/20/29/89/426202989.db2.gz GPJZCOFXNDYVIY-UHFFFAOYSA-N 1 0 310.297 2.946 20 5 DFBDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1O ZINC000171134980 426171958 /nfs/dbraw/zinc/17/19/58/426171958.db2.gz PJJOJBNHOROEOG-UHFFFAOYSA-N 1 0 302.330 2.907 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116127614 426180023 /nfs/dbraw/zinc/18/00/23/426180023.db2.gz IYFQOEBEWIVVGY-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116130760 426180997 /nfs/dbraw/zinc/18/09/97/426180997.db2.gz KUEKOGFECNFYGU-HNNXBMFYSA-N 1 0 321.421 2.620 20 5 DFBDRO Cc1nn(C)c(NC[C@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000078727478 426182140 /nfs/dbraw/zinc/18/21/40/426182140.db2.gz RJDKIFVVNOPHGI-CYBMUJFWSA-N 1 0 309.414 2.559 20 5 DFBDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000079656336 426199009 /nfs/dbraw/zinc/19/90/09/426199009.db2.gz MMNACUDSFAMXDF-UHFFFAOYSA-N 1 0 323.393 2.676 20 5 DFBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC1CCCC1 ZINC000136025641 426233179 /nfs/dbraw/zinc/23/31/79/426233179.db2.gz OFRIEYSZMWPAIW-UHFFFAOYSA-N 1 0 319.405 2.769 20 5 DFBDRO C[N@H+](CCOc1ccccc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136808728 426247511 /nfs/dbraw/zinc/24/75/11/426247511.db2.gz AJFBLBBMLCRMQE-QGZVFWFLSA-N 1 0 316.357 2.639 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173794297 426248385 /nfs/dbraw/zinc/24/83/85/426248385.db2.gz AXBWNUFJYRZAFI-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000142108056 426257600 /nfs/dbraw/zinc/25/76/00/426257600.db2.gz SBYDAMJCZCIYPQ-UTUOFQBUSA-N 1 0 323.393 2.955 20 5 DFBDRO COC(C)(C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000174595005 426260763 /nfs/dbraw/zinc/26/07/63/426260763.db2.gz ACBBRRGBXBJXLQ-UHFFFAOYSA-N 1 0 318.377 2.510 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119087188 426261817 /nfs/dbraw/zinc/26/18/17/426261817.db2.gz JCJXZFSBYOGSCB-HIFRSBDPSA-N 1 0 308.378 2.749 20 5 DFBDRO CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000174997376 426273406 /nfs/dbraw/zinc/27/34/06/426273406.db2.gz JMKRGMYWGPVHLB-IUODEOHRSA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000117333306 426212022 /nfs/dbraw/zinc/21/20/22/426212022.db2.gz DKSWJEHDXKDRRZ-LBPRGKRZSA-N 1 0 319.361 2.625 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(CNc2ccccc2[N+](=O)[O-])n1 ZINC000339368694 268798799 /nfs/dbraw/zinc/79/87/99/268798799.db2.gz XRGGLIKUILFEQH-JTQLQIEISA-N 1 0 305.338 2.636 20 5 DFBDRO COc1cc(CN2C[C@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000119524050 426294210 /nfs/dbraw/zinc/29/42/10/426294210.db2.gz AYGSFTRGNBUZER-NSHDSACASA-N 1 0 324.377 2.611 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@@H+]1CC ZINC000175362949 426300362 /nfs/dbraw/zinc/30/03/62/426300362.db2.gz CWYSJSJYPRKJQE-INIZCTEOSA-N 1 0 321.421 2.910 20 5 DFBDRO COCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089888097 426315090 /nfs/dbraw/zinc/31/50/90/426315090.db2.gz GQAXPBHTMJAMHJ-UHFFFAOYSA-N 1 0 305.334 2.718 20 5 DFBDRO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@H](C)O ZINC000089896662 426316410 /nfs/dbraw/zinc/31/64/10/426316410.db2.gz OENHRXYFSOLOOU-LBPRGKRZSA-N 1 0 319.361 2.841 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000151052067 426275378 /nfs/dbraw/zinc/27/53/78/426275378.db2.gz ZPSOIZGJMVQGTL-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO CCNC(=O)CN(CC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000119319212 426278859 /nfs/dbraw/zinc/27/88/59/426278859.db2.gz XPEGCYXUZNLDMR-UHFFFAOYSA-N 1 0 307.394 2.676 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121444729 426343745 /nfs/dbraw/zinc/34/37/45/426343745.db2.gz HOBPPTAJBQJTNT-OLZOCXBDSA-N 1 0 307.394 2.859 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000152771150 426352774 /nfs/dbraw/zinc/35/27/74/426352774.db2.gz NICYFESTAXUWQE-UKRRQHHQSA-N 1 0 306.362 2.604 20 5 DFBDRO CC(C)c1ccc(C[N@H+](C)CCN2CCCC2=O)cc1[N+](=O)[O-] ZINC000093320335 426355336 /nfs/dbraw/zinc/35/53/36/426355336.db2.gz KJPCIFFVZMNXFH-UHFFFAOYSA-N 1 0 319.405 2.772 20 5 DFBDRO COc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194900 426359940 /nfs/dbraw/zinc/35/99/40/426359940.db2.gz WFMUSCXGLPUFQN-HNNXBMFYSA-N 1 0 316.361 2.637 20 5 DFBDRO CCC[N@@H+](CCc1cccc(F)c1)CCn1ccc([N+](=O)[O-])n1 ZINC000176244174 426363539 /nfs/dbraw/zinc/36/35/39/426363539.db2.gz VHGKQUWRTXFOQY-UHFFFAOYSA-N 1 0 320.368 2.885 20 5 DFBDRO Cc1cc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000122541153 426380480 /nfs/dbraw/zinc/38/04/80/426380480.db2.gz CKCGXLGZANDRHF-CQSZACIVSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000122668772 426387570 /nfs/dbraw/zinc/38/75/70/426387570.db2.gz AEZVSTDFFIDQAS-DGCLKSJQSA-N 1 0 305.378 2.820 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000122998026 426408483 /nfs/dbraw/zinc/40/84/83/426408483.db2.gz KMZJETLNBHSABF-OLZOCXBDSA-N 1 0 305.378 2.536 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000153851100 426410795 /nfs/dbraw/zinc/41/07/95/426410795.db2.gz MMDQXBCSIZRYCE-GFCCVEGCSA-N 1 0 312.801 2.954 20 5 DFBDRO CCCO[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154188843 426428916 /nfs/dbraw/zinc/42/89/16/426428916.db2.gz FHGZHMLKIQEPNS-IRXDYDNUSA-N 1 0 322.405 2.909 20 5 DFBDRO CCc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000177004670 426433630 /nfs/dbraw/zinc/43/36/30/426433630.db2.gz JDYWZDOZZRAIDQ-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177033033 426435635 /nfs/dbraw/zinc/43/56/35/426435635.db2.gz MCVMYBNYAREJNN-GXSJLCMTSA-N 1 0 323.780 2.603 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000154380290 426438055 /nfs/dbraw/zinc/43/80/55/426438055.db2.gz LNFPETJDUPMMDA-ZDUSSCGKSA-N 1 0 318.295 2.903 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177082426 426441439 /nfs/dbraw/zinc/44/14/39/426441439.db2.gz YDUWITMSPBEZLV-VHSXEESVSA-N 1 0 323.780 2.603 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177111070 426444820 /nfs/dbraw/zinc/44/48/20/426444820.db2.gz DQZJJSRZTJATDI-GXSJLCMTSA-N 1 0 323.780 2.603 20 5 DFBDRO COc1ccc(CN(CC[NH+](C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000154611526 426448799 /nfs/dbraw/zinc/44/87/99/426448799.db2.gz IZTIQVSOENSOIU-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCNc2c(F)cccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000341419250 269074897 /nfs/dbraw/zinc/07/48/97/269074897.db2.gz OPSUIVWUNLFPNG-TXEJJXNPSA-N 1 0 311.357 2.645 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177220934 426455231 /nfs/dbraw/zinc/45/52/31/426455231.db2.gz QUTYUHUOFNJVQS-SKDRFNHKSA-N 1 0 323.780 2.603 20 5 DFBDRO COCCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154850273 426457730 /nfs/dbraw/zinc/45/77/30/426457730.db2.gz NQCQFKKWXVNRRB-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410369 426470818 /nfs/dbraw/zinc/47/08/18/426470818.db2.gz CYLSPINEKLKUSF-NWDGAFQWSA-N 1 0 323.418 2.521 20 5 DFBDRO CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000186397030 426519121 /nfs/dbraw/zinc/51/91/21/426519121.db2.gz GICMEGKSXXQSFN-OAHLLOKOSA-N 1 0 322.409 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000264329124 426536461 /nfs/dbraw/zinc/53/64/61/426536461.db2.gz WSDHJMHGKAUIPR-UHFFFAOYSA-N 1 0 305.378 2.652 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000272514331 426544902 /nfs/dbraw/zinc/54/49/02/426544902.db2.gz MXRJXIWUNYLFSJ-SNVBAGLBSA-N 1 0 312.801 2.810 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@H]2C1 ZINC000272534467 426550702 /nfs/dbraw/zinc/55/07/02/426550702.db2.gz BLDBADNZQHSXAK-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO CN(C(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000177525087 426492699 /nfs/dbraw/zinc/49/26/99/426492699.db2.gz IFDXSWBBXQUGEV-KBPBESRZSA-N 1 0 317.389 2.680 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186243325 426496487 /nfs/dbraw/zinc/49/64/87/426496487.db2.gz HWMRQRSYAZWVPT-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000177597647 426498086 /nfs/dbraw/zinc/49/80/86/426498086.db2.gz IOWHJRZQWSILDQ-UONOGXRCSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272737324 426571994 /nfs/dbraw/zinc/57/19/94/426571994.db2.gz CIILSROFVRCGCD-JTQLQIEISA-N 1 0 323.780 2.628 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000178174682 426580895 /nfs/dbraw/zinc/58/08/95/426580895.db2.gz RREWHPVHXJDUHH-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000289284734 426621321 /nfs/dbraw/zinc/62/13/21/426621321.db2.gz QNWYPVFDLFKXRB-JOCQHMNTSA-N 1 0 319.405 2.652 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000265186162 426593916 /nfs/dbraw/zinc/59/39/16/426593916.db2.gz XNXCENYWHXMHDT-MRXNPFEDSA-N 1 0 322.311 2.870 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2ncccc2[N+](=O)[O-])ccc1F ZINC000265211939 426597582 /nfs/dbraw/zinc/59/75/82/426597582.db2.gz MFRFODJMIFMDEL-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224024 426601378 /nfs/dbraw/zinc/60/13/78/426601378.db2.gz OCBMCUQQQQCYBT-ZFWWWQNUSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000229595880 426638284 /nfs/dbraw/zinc/63/82/84/426638284.db2.gz VELYTLIFNOQGJJ-WPRPVWTQSA-N 1 0 314.183 2.910 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H](C[N@@H+](C)CC)C2)c([N+](=O)[O-])c1 ZINC000280763707 426651256 /nfs/dbraw/zinc/65/12/56/426651256.db2.gz RAEYHJJZFWZABC-CYBMUJFWSA-N 1 0 319.405 2.966 20 5 DFBDRO CCC(=O)c1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000280765611 426652239 /nfs/dbraw/zinc/65/22/39/426652239.db2.gz RFQLRRDCKVFHGX-UHFFFAOYSA-N 1 0 319.405 2.966 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235836191 426660345 /nfs/dbraw/zinc/66/03/45/426660345.db2.gz BNWVTINHLIFNAB-SECBINFHSA-N 1 0 314.183 2.593 20 5 DFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686683 426677691 /nfs/dbraw/zinc/67/76/91/426677691.db2.gz DTIZAAKHQLRXQH-STQMWFEESA-N 1 0 307.394 2.892 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000273248222 426625284 /nfs/dbraw/zinc/62/52/84/426625284.db2.gz GPZFZSSJOIYBKV-UKRRQHHQSA-N 1 0 322.405 2.832 20 5 DFBDRO CCC(=O)c1ccc(N2CCC([NH2+]C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000280652380 426626440 /nfs/dbraw/zinc/62/64/40/426626440.db2.gz FPPAIFREOUOCRK-UHFFFAOYSA-N 1 0 317.389 2.908 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000280933363 426689575 /nfs/dbraw/zinc/68/95/75/426689575.db2.gz HHHQPGDASSDNBD-QGZVFWFLSA-N 1 0 313.357 2.781 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000238086182 426708015 /nfs/dbraw/zinc/70/80/15/426708015.db2.gz YZZFGENPPZYSJD-YCABEKBOSA-N 1 0 317.389 2.632 20 5 DFBDRO CCOc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898290 426713096 /nfs/dbraw/zinc/71/30/96/426713096.db2.gz VIBPYFJVSKZYDR-KBPBESRZSA-N 1 0 319.405 2.914 20 5 DFBDRO CSc1cccc(C(=O)NCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000188058313 426718316 /nfs/dbraw/zinc/71/83/16/426718316.db2.gz OCAUXCBSNORYKA-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO COCCO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000245985057 426789881 /nfs/dbraw/zinc/78/98/81/426789881.db2.gz WDCGVDQCJTXBDS-CZUORRHYSA-N 1 0 308.378 2.783 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1 ZINC000290515995 426781008 /nfs/dbraw/zinc/78/10/08/426781008.db2.gz NIULMEMADQFVMP-MRXNPFEDSA-N 1 0 324.352 2.851 20 5 DFBDRO COc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000290518350 426782976 /nfs/dbraw/zinc/78/29/76/426782976.db2.gz CBKUDNNKNXAIFF-GHMZBOCLSA-N 1 0 321.377 2.649 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000274525278 426786730 /nfs/dbraw/zinc/78/67/30/426786730.db2.gz XMYDZCGQVDWYTQ-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[N@H+](CCNC(=O)c1cccc(SC)c1[N+](=O)[O-])C1CC1 ZINC000188112639 426724573 /nfs/dbraw/zinc/72/45/73/426724573.db2.gz JEGHRRQYHSOWBH-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274232302 426727227 /nfs/dbraw/zinc/72/72/27/426727227.db2.gz FMDGYZHOUUBRIT-UHFFFAOYSA-N 1 0 318.402 2.538 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517698 426728986 /nfs/dbraw/zinc/72/89/86/426728986.db2.gz HLUBZYJUFROPLL-OLZOCXBDSA-N 1 0 306.362 2.931 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000245438982 426738940 /nfs/dbraw/zinc/73/89/40/426738940.db2.gz SLOOEYZOKYDMDF-WFASDCNBSA-N 1 0 309.385 2.896 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000245441338 426739866 /nfs/dbraw/zinc/73/98/66/426739866.db2.gz VHNSCIZZVOVJPT-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO COCC[N@@H+]1CCN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524483 426747724 /nfs/dbraw/zinc/74/77/24/426747724.db2.gz NQGSZTYMFSSKQH-GJZGRUSLSA-N 1 0 321.421 2.617 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000290545888 426789170 /nfs/dbraw/zinc/78/91/70/426789170.db2.gz FNHGEBLKGZYIDC-SNVBAGLBSA-N 1 0 312.345 2.584 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000281945502 426798546 /nfs/dbraw/zinc/79/85/46/426798546.db2.gz LQFSMRQHFPBDCB-NSHDSACASA-N 1 0 323.418 2.518 20 5 DFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1cccc(F)c1 ZINC000266943266 426800479 /nfs/dbraw/zinc/80/04/79/426800479.db2.gz XGTUMTWKYFVGTG-UHFFFAOYSA-N 1 0 306.341 2.841 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000179576143 426802491 /nfs/dbraw/zinc/80/24/91/426802491.db2.gz KGQPUTBFJBHTCL-OAHLLOKOSA-N 1 0 322.405 2.692 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000188980603 426806630 /nfs/dbraw/zinc/80/66/30/426806630.db2.gz ZTBFLEUUDJHSDN-CQSZACIVSA-N 1 0 306.387 2.658 20 5 DFBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246255159 426815222 /nfs/dbraw/zinc/81/52/22/426815222.db2.gz PXGVGWGUVILAPH-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246455591 426835207 /nfs/dbraw/zinc/83/52/07/426835207.db2.gz YKIRANMWZPSIGZ-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@@H]1C[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[N@@H+]1C1CC1 ZINC000290805242 426843967 /nfs/dbraw/zinc/84/39/67/426843967.db2.gz QIVBIIZTRFCUBG-ZJUUUORDSA-N 1 0 301.350 2.508 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000290834538 426849768 /nfs/dbraw/zinc/84/97/68/426849768.db2.gz VACCIMQQEVSMAA-YPMHNXCESA-N 1 0 305.378 2.778 20 5 DFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000282204596 426853749 /nfs/dbraw/zinc/85/37/49/426853749.db2.gz ODCAXPSTUWOSKL-WFASDCNBSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[NH+](CC)CCCn1cc([N+](=O)[O-])c(=O)c2ccccc21 ZINC000291571743 426915996 /nfs/dbraw/zinc/91/59/96/426915996.db2.gz DVZFLSCTFNIDSV-UHFFFAOYSA-N 1 0 303.362 2.642 20 5 DFBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000282277952 426869621 /nfs/dbraw/zinc/86/96/21/426869621.db2.gz DSJUTGSGUNDKRA-XHBSWPGZSA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1c(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000246896668 426876491 /nfs/dbraw/zinc/87/64/91/426876491.db2.gz YDBKLXCQPRLRKS-AAEUAGOBSA-N 1 0 320.393 2.850 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413792 426879682 /nfs/dbraw/zinc/87/96/82/426879682.db2.gz QZKOBSGYLHUPKF-GHMZBOCLSA-N 1 0 323.780 2.557 20 5 DFBDRO CCOC(=O)CCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282356683 426888653 /nfs/dbraw/zinc/88/86/53/426888653.db2.gz CZYRZXCLPPKTDG-UHFFFAOYSA-N 1 0 308.378 2.803 20 5 DFBDRO COc1cc(C[N@H+](CCO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000305832994 426913924 /nfs/dbraw/zinc/91/39/24/426913924.db2.gz ORCGDUUGPJVHLG-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000283088591 426949980 /nfs/dbraw/zinc/94/99/80/426949980.db2.gz LCQLLIHVFATNGZ-LBPRGKRZSA-N 1 0 322.336 2.509 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181497785 426954155 /nfs/dbraw/zinc/95/41/55/426954155.db2.gz JXTDNCISYNKBNB-HNNXBMFYSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@](O)(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189839732 426965002 /nfs/dbraw/zinc/96/50/02/426965002.db2.gz NPHRDPDISRJBOX-KRWDZBQOSA-N 1 0 300.358 2.982 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000189861952 426965754 /nfs/dbraw/zinc/96/57/54/426965754.db2.gz VJAPYVYLFMRSDT-ONGXEEELSA-N 1 0 306.284 2.867 20 5 DFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691650 426972451 /nfs/dbraw/zinc/97/24/51/426972451.db2.gz FNOQKOYJBWRQAZ-YOEHRIQHSA-N 1 0 321.421 2.602 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000276085591 426982196 /nfs/dbraw/zinc/98/21/96/426982196.db2.gz XOBAQMASMFMZKY-UHFFFAOYSA-N 1 0 317.345 2.555 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000248343569 426990566 /nfs/dbraw/zinc/99/05/66/426990566.db2.gz KMDTYDAIZOBTDC-WOPDTQHZSA-N 1 0 321.377 2.661 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283311737 426992958 /nfs/dbraw/zinc/99/29/58/426992958.db2.gz ZBNPRICKRPXDNM-VHSXEESVSA-N 1 0 314.769 2.926 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000181355937 426940802 /nfs/dbraw/zinc/94/08/02/426940802.db2.gz XYQNQNIHAQQOLU-HIFRSBDPSA-N 1 0 300.362 2.916 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1F ZINC000283064297 426944777 /nfs/dbraw/zinc/94/47/77/426944777.db2.gz JQXAKCLTUBOOHA-XJKSGUPXSA-N 1 0 308.353 2.861 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1F ZINC000283064292 426944894 /nfs/dbraw/zinc/94/48/94/426944894.db2.gz JQXAKCLTUBOOHA-CZUORRHYSA-N 1 0 308.353 2.861 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000276182858 427000688 /nfs/dbraw/zinc/00/06/88/427000688.db2.gz HPMBGDHLCUWTDF-UHFFFAOYSA-N 1 0 321.421 2.961 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](n3cccn3)C2)c(F)c1 ZINC000291852608 427008090 /nfs/dbraw/zinc/00/80/90/427008090.db2.gz PCLADSVQVSQUKR-JTQLQIEISA-N 1 0 308.288 2.517 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337870998 427011886 /nfs/dbraw/zinc/01/18/86/427011886.db2.gz NRBLGOSLSWYOEV-CABCVRRESA-N 1 0 319.405 2.710 20 5 DFBDRO Cc1nc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N+](=O)[O-] ZINC000268443905 427019570 /nfs/dbraw/zinc/01/95/70/427019570.db2.gz DNKVPRDKBLLADE-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291917978 427025950 /nfs/dbraw/zinc/02/59/50/427025950.db2.gz LITQWYWTLBIDOD-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO Cn1cc([C@H]2CCCN2Cc2ccc([N+](=O)[O-])c(F)c2)cn1 ZINC000276293437 427027012 /nfs/dbraw/zinc/02/70/12/427027012.db2.gz IFMJKYQZJJTALE-CQSZACIVSA-N 1 0 304.325 2.805 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1csc([N+](=O)[O-])c1 ZINC000276301447 427030596 /nfs/dbraw/zinc/03/05/96/427030596.db2.gz AJAUFDFGVFSPAL-UHFFFAOYSA-N 1 0 313.423 2.850 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000248972796 427070551 /nfs/dbraw/zinc/07/05/51/427070551.db2.gz DMPJSAGFNUGZHP-NWDGAFQWSA-N 1 0 323.418 2.607 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH2+]C(C)C)CC1 ZINC000283765387 427071996 /nfs/dbraw/zinc/07/19/96/427071996.db2.gz NTNXUVUWIPRPEK-UHFFFAOYSA-N 1 0 305.378 2.764 20 5 DFBDRO CO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296090850 427073312 /nfs/dbraw/zinc/07/33/12/427073312.db2.gz QOUAPIDTKITXQS-HNNXBMFYSA-N 1 0 308.378 2.721 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000276465974 427076217 /nfs/dbraw/zinc/07/62/17/427076217.db2.gz OOIJWWNODOYLHU-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000182595182 427105855 /nfs/dbraw/zinc/10/58/55/427105855.db2.gz YOYAYPZZXZKTEU-CYBMUJFWSA-N 1 0 319.405 2.764 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000182659912 427119712 /nfs/dbraw/zinc/11/97/12/427119712.db2.gz VBLYNLVKNSFLMI-GFCCVEGCSA-N 1 0 305.378 2.552 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057603 427124062 /nfs/dbraw/zinc/12/40/62/427124062.db2.gz KPHXFXUUUCQHDH-FOOGCRFISA-N 1 0 305.378 2.641 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc2ncccc2c1[N+](=O)[O-] ZINC000190290746 427063584 /nfs/dbraw/zinc/06/35/84/427063584.db2.gz OPGQCQHTURGCDF-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1F ZINC000292235900 427140164 /nfs/dbraw/zinc/14/01/64/427140164.db2.gz WIDNLNRJKFKFDP-AWEZNQCLSA-N 1 0 308.353 2.982 20 5 DFBDRO Cc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000182766105 427141580 /nfs/dbraw/zinc/14/15/80/427141580.db2.gz YKPQDRJWSXSKEX-KGLIPLIRSA-N 1 0 318.377 2.604 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000162497459 271084062 /nfs/dbraw/zinc/08/40/62/271084062.db2.gz FKMOVQNCHNUFJJ-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000174111829 271127365 /nfs/dbraw/zinc/12/73/65/271127365.db2.gz GKTZSHXCRUAEKN-ZDUSSCGKSA-N 1 0 319.405 2.619 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000174157537 271129155 /nfs/dbraw/zinc/12/91/55/271129155.db2.gz LONRYPFFTFAQAM-ROJDOSBLSA-N 1 0 317.389 2.551 20 5 DFBDRO CCOc1cc(NC2CC[NH+](CCOC)CC2)ccc1[N+](=O)[O-] ZINC000174879853 271141224 /nfs/dbraw/zinc/14/12/24/271141224.db2.gz HHTOAFXMIUHDQB-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO CC(C)(C)OC(=O)[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000178530597 271195236 /nfs/dbraw/zinc/19/52/36/271195236.db2.gz GIBPBHRNTKKMSD-NSHDSACASA-N 1 0 324.352 2.898 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000278827319 271320346 /nfs/dbraw/zinc/32/03/46/271320346.db2.gz ROVBBMYHBALOHM-LLVKDONJSA-N 1 0 314.345 2.799 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC=C(C)C1 ZINC000280912657 271327189 /nfs/dbraw/zinc/32/71/89/271327189.db2.gz SGWCQZGOWMSQCZ-UHFFFAOYSA-N 1 0 319.361 2.584 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302185964 271363125 /nfs/dbraw/zinc/36/31/25/271363125.db2.gz UTRAODIJUMOPFZ-DZGCQCFKSA-N 1 0 312.373 2.922 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000285388590 427218769 /nfs/dbraw/zinc/21/87/69/427218769.db2.gz DIZBGZDKSRPMGP-SOFGYWHQSA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000182997398 427179582 /nfs/dbraw/zinc/17/95/82/427179582.db2.gz HUIVMTHZAZVGJR-ZDUSSCGKSA-N 1 0 307.394 2.668 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277373588 427182292 /nfs/dbraw/zinc/18/22/92/427182292.db2.gz XULASSSGCCBJLG-LBPRGKRZSA-N 1 0 318.377 2.652 20 5 DFBDRO Cc1ccnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269384164 427183796 /nfs/dbraw/zinc/18/37/96/427183796.db2.gz ADLZSASRSVWQDM-DZGCQCFKSA-N 1 0 316.405 2.751 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1F ZINC000284336295 427184825 /nfs/dbraw/zinc/18/48/25/427184825.db2.gz XDPLFSSFVQNVEQ-BXUZGUMPSA-N 1 0 323.368 2.501 20 5 DFBDRO Cc1cnc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440631 427198166 /nfs/dbraw/zinc/19/81/66/427198166.db2.gz SMPXSYBHOYAFCL-HIFRSBDPSA-N 1 0 316.405 2.751 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269453536 427199946 /nfs/dbraw/zinc/19/99/46/427199946.db2.gz WMFMPAUCIVZNPZ-BBRMVZONSA-N 1 0 316.405 2.751 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292844515 427200753 /nfs/dbraw/zinc/20/07/53/427200753.db2.gz QTGISJXRSYMAKE-AWEZNQCLSA-N 1 0 310.785 2.565 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1 ZINC000292844517 427201055 /nfs/dbraw/zinc/20/10/55/427201055.db2.gz QTGISJXRSYMAKE-CQSZACIVSA-N 1 0 310.785 2.565 20 5 DFBDRO CN(CCC[NH+]1CCCC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285332692 427210685 /nfs/dbraw/zinc/21/06/85/427210685.db2.gz OODPNQGNGBFHDI-UHFFFAOYSA-N 1 0 313.348 2.791 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000285601404 427284830 /nfs/dbraw/zinc/28/48/30/427284830.db2.gz PPEUJMGTWREMHY-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(=O)c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000293135453 427221990 /nfs/dbraw/zinc/22/19/90/427221990.db2.gz SAMWYNROQNEREL-AWEZNQCLSA-N 1 0 317.389 2.720 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183207213 427222346 /nfs/dbraw/zinc/22/23/46/427222346.db2.gz WJRLQQQBOHPNJB-CQSZACIVSA-N 1 0 306.362 2.678 20 5 DFBDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000255030526 427235688 /nfs/dbraw/zinc/23/56/88/427235688.db2.gz MEMGCAKPSGRHBF-OCCSQVGLSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000269631591 427235680 /nfs/dbraw/zinc/23/56/80/427235680.db2.gz FWNZHLWTIAIXTO-LBPRGKRZSA-N 1 0 307.375 2.610 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000338295843 427242811 /nfs/dbraw/zinc/24/28/11/427242811.db2.gz ICPMOUFLISNHLC-UWVGGRQHSA-N 1 0 314.769 2.926 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](O)CC3)co2)cc1 ZINC000293196418 427243166 /nfs/dbraw/zinc/24/31/66/427243166.db2.gz QNDIJEUYLVHHTE-HNNXBMFYSA-N 1 0 317.345 2.597 20 5 DFBDRO CCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183310212 427245867 /nfs/dbraw/zinc/24/58/67/427245867.db2.gz YXGCBWVZXICNFW-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C(C)C)CC1 ZINC000293210867 427247249 /nfs/dbraw/zinc/24/72/49/427247249.db2.gz YHIKPIYBVPJTPX-UHFFFAOYSA-N 1 0 321.377 2.710 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000293222680 427254006 /nfs/dbraw/zinc/25/40/06/427254006.db2.gz YHUJDGKOASSYCF-CYBMUJFWSA-N 1 0 305.378 2.526 20 5 DFBDRO C[C@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000255396507 427265496 /nfs/dbraw/zinc/26/54/96/427265496.db2.gz CLAQQUQHVKLLFW-OEYXZAGESA-N 1 0 319.405 2.701 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000330589715 427270315 /nfs/dbraw/zinc/27/03/15/427270315.db2.gz POJKKHKPQGIEDW-MNOVXSKESA-N 1 0 307.350 2.739 20 5 DFBDRO Cc1cc(C)cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183475655 427274778 /nfs/dbraw/zinc/27/47/78/427274778.db2.gz IINZQRQBEJVFDG-OAHLLOKOSA-N 1 0 314.389 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000183481717 427279318 /nfs/dbraw/zinc/27/93/18/427279318.db2.gz KTCJMAVIMKXGCW-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000183599680 427299957 /nfs/dbraw/zinc/29/99/57/427299957.db2.gz BGVWXKOFVZAQCQ-SFHVURJKSA-N 1 0 312.369 2.827 20 5 DFBDRO CC[N@@H+]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000297003503 427302083 /nfs/dbraw/zinc/30/20/83/427302083.db2.gz GBUMIGJFCGQNOV-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1cccs1 ZINC000285667924 427304004 /nfs/dbraw/zinc/30/40/04/427304004.db2.gz PGSHOOAOVNOOLU-ZDUSSCGKSA-N 1 0 306.391 2.953 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191298179 427311424 /nfs/dbraw/zinc/31/14/24/427311424.db2.gz FDRVVYQESWNDOJ-HNNXBMFYSA-N 1 0 317.389 2.652 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]CC2CCC(C(F)(F)F)CC2)c1 ZINC000183737205 427332009 /nfs/dbraw/zinc/33/20/09/427332009.db2.gz OMNLWSWVZLDASS-UHFFFAOYSA-N 1 0 320.315 2.750 20 5 DFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113055 427347713 /nfs/dbraw/zinc/34/77/13/427347713.db2.gz JJNIMTJGYPRLLP-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C[C@H]1C ZINC000330666391 427288206 /nfs/dbraw/zinc/28/82/06/427288206.db2.gz IDGFMHLYQANVDX-CYBMUJFWSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000183983477 427371312 /nfs/dbraw/zinc/37/13/12/427371312.db2.gz RKCCJVUMAYZKMX-CYBMUJFWSA-N 1 0 321.402 2.918 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331299139 427395375 /nfs/dbraw/zinc/39/53/75/427395375.db2.gz VIMQPINTSTVKDV-HUBLWGQQSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338598108 427402363 /nfs/dbraw/zinc/40/23/63/427402363.db2.gz OLWKMZAURGBXOW-FZMZJTMJSA-N 1 0 305.378 2.611 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286049160 427410769 /nfs/dbraw/zinc/41/07/69/427410769.db2.gz ARAUPTNHTARCBZ-VIFPVBQESA-N 1 0 309.395 2.742 20 5 DFBDRO Cc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710504 427411639 /nfs/dbraw/zinc/41/16/39/427411639.db2.gz LXDNBWORPQSUFK-SJKOYZFVSA-N 1 0 315.373 2.870 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1CO ZINC000191718493 427413933 /nfs/dbraw/zinc/41/39/33/427413933.db2.gz OXQDTALIEPHGTA-OCCSQVGLSA-N 1 0 316.357 2.915 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000331132883 427355013 /nfs/dbraw/zinc/35/50/13/427355013.db2.gz BKIYFTLOJIONPX-OAHLLOKOSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000277907993 427355169 /nfs/dbraw/zinc/35/51/69/427355169.db2.gz OQJKNIYBEKSZGZ-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293555329 427362357 /nfs/dbraw/zinc/36/23/57/427362357.db2.gz FLWMBEBZUUUIAX-INIZCTEOSA-N 1 0 302.374 2.986 20 5 DFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277952319 427369528 /nfs/dbraw/zinc/36/95/28/427369528.db2.gz IQQLCBOHVFGIMT-ZDUSSCGKSA-N 1 0 323.393 2.516 20 5 DFBDRO Nc1ccc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000286177048 427447701 /nfs/dbraw/zinc/44/77/01/427447701.db2.gz KSWUPNPYVVWFKI-UHFFFAOYSA-N 1 0 304.394 2.632 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000286194390 427449986 /nfs/dbraw/zinc/44/99/86/427449986.db2.gz PUVLNIYXJOGMKI-ZIAGYGMSSA-N 1 0 308.378 2.634 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340150323 271710982 /nfs/dbraw/zinc/71/09/82/271710982.db2.gz HRWVNMVOWGIXNR-MCIONIFRSA-N 1 0 304.394 2.831 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000184405834 427454054 /nfs/dbraw/zinc/45/40/54/427454054.db2.gz NSGFEHUULPRKKU-GXTWGEPZSA-N 1 0 312.341 2.790 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271243331 427465678 /nfs/dbraw/zinc/46/56/78/427465678.db2.gz PRAKWBHTOMDOLM-LBPRGKRZSA-N 1 0 305.378 2.633 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000286251493 427469911 /nfs/dbraw/zinc/46/99/11/427469911.db2.gz APCXODPYDOOZOW-BOOVAVIHSA-N 1 0 306.337 2.589 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000286279747 427479329 /nfs/dbraw/zinc/47/93/29/427479329.db2.gz HZLPAMSFGJRABS-DOMZBBRYSA-N 1 0 317.389 2.860 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184533842 427481219 /nfs/dbraw/zinc/48/12/19/427481219.db2.gz HTZGNWWCUKYQRI-GFCCVEGCSA-N 1 0 308.378 2.807 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338776941 427482435 /nfs/dbraw/zinc/48/24/35/427482435.db2.gz WIOVZJDKTBMIQC-IUODEOHRSA-N 1 0 319.405 2.563 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191803266 427430299 /nfs/dbraw/zinc/43/02/99/427430299.db2.gz HLMSFAJXPANGGH-RISCZKNCSA-N 1 0 306.362 2.534 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184309495 427434201 /nfs/dbraw/zinc/43/42/01/427434201.db2.gz RNDLXXUDQMWFKU-JTQLQIEISA-N 1 0 312.341 2.647 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)C2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184309513 427434495 /nfs/dbraw/zinc/43/44/95/427434495.db2.gz RNDLXXUDQMWFKU-SNVBAGLBSA-N 1 0 312.341 2.647 20 5 DFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000338795855 427495807 /nfs/dbraw/zinc/49/58/07/427495807.db2.gz PWCMFNOXQHORTO-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286359756 427501899 /nfs/dbraw/zinc/50/18/99/427501899.db2.gz NBHUSFGHCWKNPU-STQMWFEESA-N 1 0 316.405 2.626 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000286390528 427513667 /nfs/dbraw/zinc/51/36/67/427513667.db2.gz YWHGHKDFHMBWPZ-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184676749 427514936 /nfs/dbraw/zinc/51/49/36/427514936.db2.gz IVUUCGNUVTUFKU-OAHLLOKOSA-N 1 0 320.345 2.852 20 5 DFBDRO Cc1n[nH]c(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000278962401 427516151 /nfs/dbraw/zinc/51/61/51/427516151.db2.gz BIUBFXHBINCSNO-CQSZACIVSA-N 1 0 315.377 2.576 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286413838 427519543 /nfs/dbraw/zinc/51/95/43/427519543.db2.gz KCLVSJFIFPLACR-ZDUSSCGKSA-N 1 0 323.368 2.615 20 5 DFBDRO CN(c1c(F)cc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286425452 427524955 /nfs/dbraw/zinc/52/49/55/427524955.db2.gz QCXLFXQIHLRHPB-ZACCUICWSA-N 1 0 311.332 2.934 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CC1CCCC1)CC2 ZINC000332172249 427532365 /nfs/dbraw/zinc/53/23/65/427532365.db2.gz SKCIIEALGQCODK-KRWDZBQOSA-N 1 0 304.390 2.894 20 5 DFBDRO C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000286459618 427534874 /nfs/dbraw/zinc/53/48/74/427534874.db2.gz SFQCPVFSPGCTBA-SNVBAGLBSA-N 1 0 321.406 2.743 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000286671262 427540089 /nfs/dbraw/zinc/54/00/89/427540089.db2.gz MPQDPZSUAZATCL-UHFFFAOYSA-N 1 0 321.406 2.520 20 5 DFBDRO COCCOCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279060371 427545751 /nfs/dbraw/zinc/54/57/51/427545751.db2.gz KUMDAUCQONXPEK-INIZCTEOSA-N 1 0 322.405 2.960 20 5 DFBDRO C[NH+](C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])s1 ZINC000192488968 427551476 /nfs/dbraw/zinc/55/14/76/427551476.db2.gz JIEZLNMWVVDRPG-UHFFFAOYSA-N 1 0 312.420 2.681 20 5 DFBDRO CCOC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000286322267 427490552 /nfs/dbraw/zinc/49/05/52/427490552.db2.gz WQOJODZIXHSEGR-ZDUSSCGKSA-N 1 0 314.357 2.893 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000192834085 427620950 /nfs/dbraw/zinc/62/09/50/427620950.db2.gz DQXIOWDFBILDKR-IUODEOHRSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000192531544 427559960 /nfs/dbraw/zinc/55/99/60/427559960.db2.gz NJKOVDIRERKQFO-YPMHNXCESA-N 1 0 318.402 2.984 20 5 DFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCCNC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000279122645 427566153 /nfs/dbraw/zinc/56/61/53/427566153.db2.gz QESNREITEHKGLE-HUUCEWRRSA-N 1 0 317.389 2.576 20 5 DFBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000298328732 427572285 /nfs/dbraw/zinc/57/22/85/427572285.db2.gz ZPOSVGDZCZAGCY-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO CC(C)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000271612122 427579991 /nfs/dbraw/zinc/57/99/91/427579991.db2.gz KVYSBQKWQOEJGZ-OCCSQVGLSA-N 1 0 305.378 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cccn1)CCC2 ZINC000192640416 427580849 /nfs/dbraw/zinc/58/08/49/427580849.db2.gz BPAHZPRXGWKQOF-MRXNPFEDSA-N 1 0 300.362 2.849 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000192713340 427592713 /nfs/dbraw/zinc/59/27/13/427592713.db2.gz LPLKCYAMULBLTO-YOEHRIQHSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1sc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000298411659 427601560 /nfs/dbraw/zinc/60/15/60/427601560.db2.gz WSMOAHVWQAORQH-UHFFFAOYSA-N 1 0 311.407 2.571 20 5 DFBDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CCO1 ZINC000332407539 427603816 /nfs/dbraw/zinc/60/38/16/427603816.db2.gz YWZZENBDPGLBRA-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000298494265 427629648 /nfs/dbraw/zinc/62/96/48/427629648.db2.gz LHARXVJHGIXTNT-MNOVXSKESA-N 1 0 311.407 2.507 20 5 DFBDRO COc1ccc(C[C@](C)([NH3+])CNc2ccccc2[N+](=O)[O-])cc1 ZINC000339039108 427639652 /nfs/dbraw/zinc/63/96/52/427639652.db2.gz DVIWBTGYMKWTGJ-KRWDZBQOSA-N 1 0 315.373 2.975 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192963613 427644087 /nfs/dbraw/zinc/64/40/87/427644087.db2.gz KWYJFGZLFLLRKX-CZUORRHYSA-N 1 0 317.389 2.573 20 5 DFBDRO Cc1c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000264065368 427649121 /nfs/dbraw/zinc/64/91/21/427649121.db2.gz LKMSOGRJTODYSX-INIZCTEOSA-N 1 0 300.362 2.974 20 5 DFBDRO CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000193023699 427653230 /nfs/dbraw/zinc/65/32/30/427653230.db2.gz GPEGBVHTNNDISK-INIZCTEOSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000264095316 427655567 /nfs/dbraw/zinc/65/55/67/427655567.db2.gz ADUJPPSWUGYNHL-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279375462 427655921 /nfs/dbraw/zinc/65/59/21/427655921.db2.gz XKZUMOHTCLIMCQ-WFASDCNBSA-N 1 0 305.378 2.726 20 5 DFBDRO CC(=O)c1cc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000343220623 272098800 /nfs/dbraw/zinc/09/88/00/272098800.db2.gz YEPVRFXHSJVSIR-MRXNPFEDSA-N 1 0 305.378 2.574 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C)C1 ZINC000343267870 272108953 /nfs/dbraw/zinc/10/89/53/272108953.db2.gz HGFUNMXBGVBIEZ-JTQLQIEISA-N 1 0 315.320 2.727 20 5 DFBDRO CN(CC[NH+]1CCCC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000343480009 272156770 /nfs/dbraw/zinc/15/67/70/272156770.db2.gz BGFRUOAZHIFVCJ-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO COc1cccc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000185581667 427674259 /nfs/dbraw/zinc/67/42/59/427674259.db2.gz DLYGNYSGOVGUDP-STQMWFEESA-N 1 0 305.378 2.524 20 5 DFBDRO COc1ccc([C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C2CC2)cc1 ZINC000343562361 272171161 /nfs/dbraw/zinc/17/11/61/272171161.db2.gz KIGJNGZQALEESI-HNNXBMFYSA-N 1 0 316.361 2.578 20 5 DFBDRO CC(C)[C@@H](C)[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343693938 272202579 /nfs/dbraw/zinc/20/25/79/272202579.db2.gz PKGDGORNPGSVGT-GFCCVEGCSA-N 1 0 321.377 2.869 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907500 272235157 /nfs/dbraw/zinc/23/51/57/272235157.db2.gz AGSPTVXTRJWFRY-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344027701 272251812 /nfs/dbraw/zinc/25/18/12/272251812.db2.gz JETBCGKMYAOYJA-DGCLKSJQSA-N 1 0 303.362 2.654 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344045605 272252774 /nfs/dbraw/zinc/25/27/74/272252774.db2.gz JYTSNVQMFQCQDN-RCBQFDQVSA-N 1 0 320.389 2.585 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000344123063 272268480 /nfs/dbraw/zinc/26/84/80/272268480.db2.gz GKWQRDRSCCWCBB-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000344126399 272270100 /nfs/dbraw/zinc/27/01/00/272270100.db2.gz INAMPYTYRVXALM-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCO[C@@H]1c1cccnc1 ZINC000344244733 272295891 /nfs/dbraw/zinc/29/58/91/272295891.db2.gz KYCXTYFWOKHQRQ-IAGOWNOFSA-N 1 0 313.357 2.952 20 5 DFBDRO COc1cc(C[NH2+]CCC2CCOCC2)c([N+](=O)[O-])cc1OC ZINC000344312052 272309811 /nfs/dbraw/zinc/30/98/11/272309811.db2.gz YZXQOGJLLZCSSB-UHFFFAOYSA-N 1 0 324.377 2.518 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000344738694 272363942 /nfs/dbraw/zinc/36/39/42/272363942.db2.gz ZSXGCVUNQLQJJT-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnn(C)c1C ZINC000344755449 272365083 /nfs/dbraw/zinc/36/50/83/272365083.db2.gz CJVLXLSZNOICTH-KPKJPENVSA-N 1 0 300.362 2.830 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnn(C)c1C ZINC000344755448 272365096 /nfs/dbraw/zinc/36/50/96/272365096.db2.gz CJVLXLSZNOICTH-GHXNOFRVSA-N 1 0 300.362 2.830 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H](O)C(F)F)o2)c1 ZINC000344781585 272367791 /nfs/dbraw/zinc/36/77/91/272367791.db2.gz WOUKHJVJUDNJJO-GFCCVEGCSA-N 1 0 312.272 2.570 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)Cn1cccn1 ZINC000344793754 272369994 /nfs/dbraw/zinc/36/99/94/272369994.db2.gz PGKMVVAMNBHUQJ-SSUFTNFISA-N 1 0 300.362 2.873 20 5 DFBDRO COc1cccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000344972337 272389454 /nfs/dbraw/zinc/38/94/54/272389454.db2.gz NPMCJFGBXVQZRV-FNORWQNLSA-N 1 0 313.357 2.844 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)[S@](C)=O ZINC000345042801 272397842 /nfs/dbraw/zinc/39/78/42/272397842.db2.gz BOZWTLYJIBVLMN-JZJIYKFSSA-N 1 0 310.419 2.745 20 5 DFBDRO Cc1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108018 427697768 /nfs/dbraw/zinc/69/77/68/427697768.db2.gz UYNPFFDBJFWVOT-DGCLKSJQSA-N 1 0 319.409 2.758 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@@H]1CCC[C@@H]1O ZINC000339189381 427723725 /nfs/dbraw/zinc/72/37/25/427723725.db2.gz QQXFZGBRQMJIFE-OLZOCXBDSA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(=O)n1C ZINC000279594449 427711185 /nfs/dbraw/zinc/71/11/85/427711185.db2.gz VTUJSBFQTHCMBZ-ZDUSSCGKSA-N 1 0 315.373 2.761 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000272335857 427712286 /nfs/dbraw/zinc/71/22/86/427712286.db2.gz AYPGOYOTWRIXBE-NSHDSACASA-N 1 0 322.365 2.670 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287937895 427718042 /nfs/dbraw/zinc/71/80/42/427718042.db2.gz RHQNEWKMQUVBQD-MWLCHTKSSA-N 1 0 321.406 2.740 20 5 DFBDRO COc1cc(N2CCC(C[NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000301353561 427790778 /nfs/dbraw/zinc/79/07/78/427790778.db2.gz JPLMFWJXMYEEJU-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO C[C@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301092927 427775427 /nfs/dbraw/zinc/77/54/27/427775427.db2.gz PUUNOGTXOYHHPU-RYUDHWBXSA-N 1 0 311.357 2.645 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301284639 427786543 /nfs/dbraw/zinc/78/65/43/427786543.db2.gz LJPXOUDMNFOGAG-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCC1 ZINC000185893697 427727105 /nfs/dbraw/zinc/72/71/05/427727105.db2.gz LIGOFDUBSPEAIL-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000301377536 427792078 /nfs/dbraw/zinc/79/20/78/427792078.db2.gz RZBJEDKDZHFRDF-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO COc1cc(CNc2cc3c(c[nH+]2)CCC3)c([N+](=O)[O-])cc1O ZINC000339555529 427792270 /nfs/dbraw/zinc/79/22/70/427792270.db2.gz NDBAGDWQMQVTQC-UHFFFAOYSA-N 1 0 315.329 2.805 20 5 DFBDRO CCC[N@@H+]1CCCN(c2cc(OC)cc(F)c2[N+](=O)[O-])CC1 ZINC000301368849 427792318 /nfs/dbraw/zinc/79/23/18/427792318.db2.gz UFTGOMFMSFJUON-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO Cc1ccc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])c1 ZINC000301512777 427801613 /nfs/dbraw/zinc/80/16/13/427801613.db2.gz IZNCNIJHNNDFQF-CQSZACIVSA-N 1 0 307.394 2.672 20 5 DFBDRO CCOc1cc(NCC2([NH+](C)C)CCOCC2)ccc1[N+](=O)[O-] ZINC000301516976 427801828 /nfs/dbraw/zinc/80/18/28/427801828.db2.gz GQFYSOWZDHSXON-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301606769 427809316 /nfs/dbraw/zinc/80/93/16/427809316.db2.gz NHNZQUGCLDDOCD-SMDDNHRTSA-N 1 0 321.377 2.522 20 5 DFBDRO Cc1nc(NCC[N@@H+]2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000301650412 427812753 /nfs/dbraw/zinc/81/27/53/427812753.db2.gz PQSJBLLGYSBIFN-UHFFFAOYSA-N 1 0 312.373 2.768 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000301872840 427831423 /nfs/dbraw/zinc/83/14/23/427831423.db2.gz QJDSRIQNBUTHFJ-LSDHHAIUSA-N 1 0 305.378 2.568 20 5 DFBDRO COc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301914101 427839278 /nfs/dbraw/zinc/83/92/78/427839278.db2.gz FLQAJIYUKHUUMM-GXFFZTMASA-N 1 0 311.357 2.883 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413094 427842325 /nfs/dbraw/zinc/84/23/25/427842325.db2.gz OXJAHOPXCLSXCR-OAGGEKHMSA-N 1 0 308.378 2.566 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc([N+](=O)[O-])c1 ZINC000337337479 427851000 /nfs/dbraw/zinc/85/10/00/427851000.db2.gz DYWMFBQNOBKIIG-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000340461161 427854110 /nfs/dbraw/zinc/85/41/10/427854110.db2.gz LUYAVXJRWUQQRB-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000345679989 427855968 /nfs/dbraw/zinc/85/59/68/427855968.db2.gz MWUPQBZVPQSNAR-ZDUSSCGKSA-N 1 0 319.405 2.619 20 5 DFBDRO CSc1ccccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000337353712 427861145 /nfs/dbraw/zinc/86/11/45/427861145.db2.gz CAGDXCHOMVLTBQ-NSHDSACASA-N 1 0 306.391 2.864 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000359476319 427868325 /nfs/dbraw/zinc/86/83/25/427868325.db2.gz UHJXJJIQTKVELX-KBPBESRZSA-N 1 0 313.357 2.506 20 5 DFBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000302791721 427871782 /nfs/dbraw/zinc/87/17/82/427871782.db2.gz YQLAAPUSHAPIID-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413180746 427982509 /nfs/dbraw/zinc/98/25/09/427982509.db2.gz ZGQZTTWNQOUDGX-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@@H]1c1ccccc1 ZINC000413210240 427991144 /nfs/dbraw/zinc/99/11/44/427991144.db2.gz OUTPRPUYBYWSQV-CABCVRRESA-N 1 0 316.336 2.986 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)C[N@@H+]1C ZINC000413217735 427992505 /nfs/dbraw/zinc/99/25/05/427992505.db2.gz DHSFJQKSHLXSQF-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1cnccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000340155703 427940490 /nfs/dbraw/zinc/94/04/90/427940490.db2.gz YBQGHVBDDBELPM-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000347284335 272764261 /nfs/dbraw/zinc/76/42/61/272764261.db2.gz YQJHWCATRYUKOT-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1c(-c2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145348 428020847 /nfs/dbraw/zinc/02/08/47/428020847.db2.gz JVVUVVRTXXRMCA-SKDRFNHKSA-N 1 0 302.334 2.618 20 5 DFBDRO C[N@H+](CCCCNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000413345836 428027669 /nfs/dbraw/zinc/02/76/69/428027669.db2.gz GPGZCEGYAJEOAC-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1-c1ccccc1 ZINC000341261452 428031551 /nfs/dbraw/zinc/03/15/51/428031551.db2.gz PKXVCVYJQVZNMK-CQSZACIVSA-N 1 0 324.384 3.305 20 5 DFBDRO C[C@H](Nc1ncnc2cccc([N+](=O)[O-])c21)C(C)(C)C[NH+](C)C ZINC000347449271 272792383 /nfs/dbraw/zinc/79/23/83/272792383.db2.gz ONPORRZJGYODLK-NSHDSACASA-N 1 0 317.393 2.926 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000413433310 428048718 /nfs/dbraw/zinc/04/87/18/428048718.db2.gz DDJSFRYXKKOCLM-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)C1 ZINC000413306475 428015884 /nfs/dbraw/zinc/01/58/84/428015884.db2.gz VSPAXCONKFDFKT-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369886974 428084525 /nfs/dbraw/zinc/08/45/25/428084525.db2.gz IGABZRNWZIKMAG-ABAIWWIYSA-N 1 0 312.373 2.901 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H](C[NH3+])C1CC1 ZINC000359898012 428066127 /nfs/dbraw/zinc/06/61/27/428066127.db2.gz LJZZOEWNPYMXOK-HNNXBMFYSA-N 1 0 307.394 2.551 20 5 DFBDRO C[NH+]1CCC(CCNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352359112 428135553 /nfs/dbraw/zinc/13/55/53/428135553.db2.gz CCRDHRVJWOXQBP-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352540050 428140671 /nfs/dbraw/zinc/14/06/71/428140671.db2.gz GOKVEIWLMKZNBY-CABCVRRESA-N 1 0 319.405 2.662 20 5 DFBDRO CN(CCC[NH+]1CCCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352559710 428150596 /nfs/dbraw/zinc/15/05/96/428150596.db2.gz DDPLNBWQFVLXOD-UHFFFAOYSA-N 1 0 305.422 2.945 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCn2cncn2)c2ccccc2)c1 ZINC000352567350 428153173 /nfs/dbraw/zinc/15/31/73/428153173.db2.gz JKJROUSTZQMLDS-KRWDZBQOSA-N 1 0 323.356 2.566 20 5 DFBDRO COc1cc(C[NH+]2CCC(CCCO)CC2)ccc1[N+](=O)[O-] ZINC000360095545 428158373 /nfs/dbraw/zinc/15/83/73/428158373.db2.gz BIDKHFKKTBVCLY-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CC[C@@H]1C[C@@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515519 428213387 /nfs/dbraw/zinc/21/33/87/428213387.db2.gz DTXXXNSDCOZOEU-XJKSGUPXSA-N 1 0 320.389 2.994 20 5 DFBDRO COC1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414180064 428227838 /nfs/dbraw/zinc/22/78/38/428227838.db2.gz LDCHVNZQPYMLKS-WUCCLRPBSA-N 1 0 322.409 2.822 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414206281 428235145 /nfs/dbraw/zinc/23/51/45/428235145.db2.gz PSJDBMSUHNROOY-MJBXVCDLSA-N 1 0 310.398 2.537 20 5 DFBDRO Cc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377825840 428238509 /nfs/dbraw/zinc/23/85/09/428238509.db2.gz GGVPOHDDNPXLTL-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)c1 ZINC000360355274 428265460 /nfs/dbraw/zinc/26/54/60/428265460.db2.gz OJYMJHCFSWIFLW-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1nc2c(s1)[C@H](N(C)Cc1c([N+](=O)[O-])ncn1C)CCC2 ZINC000377967839 428272629 /nfs/dbraw/zinc/27/26/29/428272629.db2.gz SBKWGCLKDOXIAA-LLVKDONJSA-N 1 0 321.406 2.603 20 5 DFBDRO COCC[N@H+](C)CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342096540 428298582 /nfs/dbraw/zinc/29/85/82/428298582.db2.gz ODWSEZKZECGYMH-UHFFFAOYSA-N 1 0 322.192 2.892 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000352773690 428242748 /nfs/dbraw/zinc/24/27/48/428242748.db2.gz UFCHADOYMZORIJ-UKRRQHHQSA-N 1 0 321.421 2.766 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2ccccn2)ccc1[N+](=O)[O-] ZINC000352780231 428247073 /nfs/dbraw/zinc/24/70/73/428247073.db2.gz SFGVSLFEHFKPMX-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO Cc1ccc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000377862863 428250947 /nfs/dbraw/zinc/25/09/47/428250947.db2.gz ZVIWWXZBXSUFEU-HNNXBMFYSA-N 1 0 314.389 2.794 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2cscc2C(F)(F)F)c1 ZINC000352792495 428251279 /nfs/dbraw/zinc/25/12/79/428251279.db2.gz BBLGVLJPICZIND-UHFFFAOYSA-N 1 0 320.296 2.661 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879739 428313250 /nfs/dbraw/zinc/31/32/50/428313250.db2.gz YCBQEKJVNCQLAQ-KBPBESRZSA-N 1 0 311.332 2.936 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)CC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000414531454 428330608 /nfs/dbraw/zinc/33/06/08/428330608.db2.gz TWETUHDIJHTQLO-QMMMGPOBSA-N 1 0 322.283 2.987 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353005384 428345599 /nfs/dbraw/zinc/34/55/99/428345599.db2.gz CRYINOJVSOAALM-LBPRGKRZSA-N 1 0 300.305 2.698 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414768005 428399250 /nfs/dbraw/zinc/39/92/50/428399250.db2.gz JXVYHFVSTMHPDJ-QMTHXVAHSA-N 1 0 318.402 2.640 20 5 DFBDRO CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353142671 428402571 /nfs/dbraw/zinc/40/25/71/428402571.db2.gz HCAVIVUNNGGZKG-KGLIPLIRSA-N 1 0 314.769 2.532 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342227660 428357826 /nfs/dbraw/zinc/35/78/26/428357826.db2.gz KMDKZWLXAARVMM-CHWSQXEVSA-N 1 0 322.315 2.739 20 5 DFBDRO C/C(=C/c1nc(C2([NH3+])CCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414631031 428361491 /nfs/dbraw/zinc/36/14/91/428361491.db2.gz VZNYSNUTLOKAIN-KTKRTIGZSA-N 1 0 300.318 2.876 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000342233393 428363895 /nfs/dbraw/zinc/36/38/95/428363895.db2.gz SLHNHFHZKPILNI-KRWDZBQOSA-N 1 0 300.358 2.635 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CC2)CC1 ZINC000378327668 428365144 /nfs/dbraw/zinc/36/51/44/428365144.db2.gz SXKBDHOOVNERQQ-LBPRGKRZSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000414659918 428367143 /nfs/dbraw/zinc/36/71/43/428367143.db2.gz NQTSCGPREGORPX-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000357046323 428371455 /nfs/dbraw/zinc/37/14/55/428371455.db2.gz UWTZVDDTRPNATO-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000372416794 428446773 /nfs/dbraw/zinc/44/67/73/428446773.db2.gz RFDMOADSRJHBNX-HZPDHXFCSA-N 1 0 303.406 2.962 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CC[NH2+]C2)o1 ZINC000414915697 428456344 /nfs/dbraw/zinc/45/63/44/428456344.db2.gz ONODEOGRLVGCDY-LBPRGKRZSA-N 1 0 301.346 2.554 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000360855672 428465408 /nfs/dbraw/zinc/46/54/08/428465408.db2.gz FQRCFAFZYXTEGO-OLZOCXBDSA-N 1 0 300.362 2.975 20 5 DFBDRO Cc1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039518 428495229 /nfs/dbraw/zinc/49/52/29/428495229.db2.gz JAMCLUGNCKPPTP-JKSUJKDBSA-N 1 0 303.406 2.867 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000357358768 428497794 /nfs/dbraw/zinc/49/77/94/428497794.db2.gz WKNNCNPFBZOVSF-UHFFFAOYSA-N 1 0 311.407 2.638 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([NH2+]C(C)C)CC1 ZINC000360949724 428506551 /nfs/dbraw/zinc/50/65/51/428506551.db2.gz QEAJIUQTJGMDPW-UHFFFAOYSA-N 1 0 305.378 2.764 20 5 DFBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000372975705 428507986 /nfs/dbraw/zinc/50/79/86/428507986.db2.gz OVECINHKEHJODJ-ZDUSSCGKSA-N 1 0 309.322 2.504 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000360959107 428510286 /nfs/dbraw/zinc/51/02/86/428510286.db2.gz FIMQDUJFSBLDMB-RYUDHWBXSA-N 1 0 309.414 2.794 20 5 DFBDRO Cc1cc(NC[C@H]2CC[C@H](C)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397938328 428513724 /nfs/dbraw/zinc/51/37/24/428513724.db2.gz YLHWIGOWSMHPIX-WCQYABFASA-N 1 0 301.346 2.853 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000347256411 428515238 /nfs/dbraw/zinc/51/52/38/428515238.db2.gz GVDHOZCMPBWGMS-WDEREUQCSA-N 1 0 324.356 2.680 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCCCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000372590561 428471395 /nfs/dbraw/zinc/47/13/95/428471395.db2.gz RHSOAYLURCYWIH-ZFWWWQNUSA-N 1 0 317.389 2.848 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000360882938 428476636 /nfs/dbraw/zinc/47/66/36/428476636.db2.gz HRCCVISDXBLPPS-CQSZACIVSA-N 1 0 304.394 2.975 20 5 DFBDRO C[C@H](Cn1cccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347473837 428585789 /nfs/dbraw/zinc/58/57/89/428585789.db2.gz VDRLOSBPRFWUPP-LLVKDONJSA-N 1 0 308.769 2.666 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415481776 428588126 /nfs/dbraw/zinc/58/81/26/428588126.db2.gz JBWCXXCGDUBDKK-CYBMUJFWSA-N 1 0 320.393 2.865 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000415505847 428590864 /nfs/dbraw/zinc/59/08/64/428590864.db2.gz QXQIPOKOULKSMT-AWEZNQCLSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415496756 428591809 /nfs/dbraw/zinc/59/18/09/428591809.db2.gz GVVHRFUHDFFCHR-OAHLLOKOSA-N 1 0 320.393 2.932 20 5 DFBDRO O=C(NCC[NH+]1CCCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347296699 428533244 /nfs/dbraw/zinc/53/32/44/428533244.db2.gz GDEHMJIJUMHBGJ-UHFFFAOYSA-N 1 0 324.356 2.731 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)c1ccco1 ZINC000343251819 428539896 /nfs/dbraw/zinc/53/98/96/428539896.db2.gz PNEDNZAPOYFILT-OLZOCXBDSA-N 1 0 318.377 3.433 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnn(C)c1 ZINC000347318547 428542635 /nfs/dbraw/zinc/54/26/35/428542635.db2.gz NPGIMLAFDNBAET-QPEQYQDCSA-N 1 0 300.362 2.864 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000415424489 428578923 /nfs/dbraw/zinc/57/89/23/428578923.db2.gz BEPIIGOYLUWPSY-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO CCOC(=O)c1cc(NCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000343846790 428579790 /nfs/dbraw/zinc/57/97/90/428579790.db2.gz DHVQUTKUPCVDOX-UHFFFAOYSA-N 1 0 321.377 2.669 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415588187 428600788 /nfs/dbraw/zinc/60/07/88/428600788.db2.gz XJCULDFPNBEZLA-MRXNPFEDSA-N 1 0 320.393 2.723 20 5 DFBDRO C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030463 428611913 /nfs/dbraw/zinc/61/19/13/428611913.db2.gz BQPZXGRRXHEEAE-ZIAGYGMSSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408243264 428626637 /nfs/dbraw/zinc/62/66/37/428626637.db2.gz FJSUDOMLQXNLSV-QWHCGFSZSA-N 1 0 320.393 2.768 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCN(C2CC2)C1 ZINC000348201700 428652454 /nfs/dbraw/zinc/65/24/54/428652454.db2.gz XJTATHCNYALJSS-INIZCTEOSA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC([NH+]3CCCCC3)CC2)c(F)c1 ZINC000408465244 428666899 /nfs/dbraw/zinc/66/68/99/428666899.db2.gz GVYWPJHRGRNITQ-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000067378514 274291942 /nfs/dbraw/zinc/29/19/42/274291942.db2.gz PZZGYHZADNCUNS-CZUORRHYSA-N 1 0 317.389 2.822 20 5 DFBDRO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H]1C[NH3+] ZINC000261837346 274291946 /nfs/dbraw/zinc/29/19/46/274291946.db2.gz CEACZZHLHMUFKA-BZNIZROVSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000066532419 274295525 /nfs/dbraw/zinc/29/55/25/274295525.db2.gz XFFKZGXMRTWEDJ-BETUJISGSA-N 1 0 317.389 2.747 20 5 DFBDRO COc1cc(C[N@@H+](C[C@@H](C)OC)C(C)C)c([N+](=O)[O-])cc1F ZINC000362328940 428705149 /nfs/dbraw/zinc/70/51/49/428705149.db2.gz XIBTVIMSSRKHGF-LLVKDONJSA-N 1 0 314.357 2.988 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000353913880 428775607 /nfs/dbraw/zinc/77/56/07/428775607.db2.gz QJCVGOFDGFSFTK-UHFFFAOYSA-N 1 0 320.393 2.763 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411359622 428783555 /nfs/dbraw/zinc/78/35/55/428783555.db2.gz DWPJDFVUIRYNKC-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362453900 428752200 /nfs/dbraw/zinc/75/22/00/428752200.db2.gz XXJXCYRYSHTLRH-IUODEOHRSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000375302925 428847215 /nfs/dbraw/zinc/84/72/15/428847215.db2.gz MODGIBOZIAFWGS-FABXCBLPSA-N 1 0 317.389 2.611 20 5 DFBDRO C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C[NH3+] ZINC000261989129 274563245 /nfs/dbraw/zinc/56/32/45/274563245.db2.gz BGWJONIXBWFBFS-AAEUAGOBSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1 ZINC000359096566 428813683 /nfs/dbraw/zinc/81/36/83/428813683.db2.gz PJUBLJAVSNEXAG-KBPBESRZSA-N 1 0 304.394 2.670 20 5 DFBDRO C[NH+](C)Cc1ccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000359098533 428815073 /nfs/dbraw/zinc/81/50/73/428815073.db2.gz YSSNFCYSKBWRDE-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568336 428818474 /nfs/dbraw/zinc/81/84/74/428818474.db2.gz KCOLBZLJFXIANI-WFASDCNBSA-N 1 0 303.362 2.798 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000354035686 428833245 /nfs/dbraw/zinc/83/32/45/428833245.db2.gz MRKWINHKEXZESK-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO Cc1c([C@@H]2CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2)cnn1C ZINC000363153525 428871922 /nfs/dbraw/zinc/87/19/22/428871922.db2.gz SMSRQLBQXCWOSI-INIZCTEOSA-N 1 0 300.362 2.974 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3nc(C4CC4)no3)C2)c1 ZINC000375417979 428879456 /nfs/dbraw/zinc/87/94/56/428879456.db2.gz WPPARIUKALYFAZ-ZDUSSCGKSA-N 1 0 314.345 2.845 20 5 DFBDRO CC[C@H]1C[C@@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCO1 ZINC000348933331 428880122 /nfs/dbraw/zinc/88/01/22/428880122.db2.gz IOHFJTPJAARXMD-KBPBESRZSA-N 1 0 307.394 2.565 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c(Cl)c1 ZINC000418140969 428887790 /nfs/dbraw/zinc/88/77/90/428887790.db2.gz WGWIXXDAZULARI-SNVBAGLBSA-N 1 0 319.739 2.677 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000375468618 428891902 /nfs/dbraw/zinc/89/19/02/428891902.db2.gz FRWNDXMVSNKMQF-DFBGVHRSSA-N 1 0 308.353 2.979 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412039098 428919079 /nfs/dbraw/zinc/91/90/79/428919079.db2.gz PHDZORZMSCSWLO-CQSZACIVSA-N 1 0 322.405 2.845 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCCN(c3ccccn3)C2)s1 ZINC000375597473 428920555 /nfs/dbraw/zinc/92/05/55/428920555.db2.gz KRWVUNDVOZPPMA-SNVBAGLBSA-N 1 0 305.363 2.527 20 5 DFBDRO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048276 428925469 /nfs/dbraw/zinc/92/54/69/428925469.db2.gz WLCIVIPAVSGILM-CMPLNLGQSA-N 1 0 301.350 2.572 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349202869 428938334 /nfs/dbraw/zinc/93/83/34/428938334.db2.gz QUJNNDWMHBQWTL-PELKAZGASA-N 1 0 322.283 2.567 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000361959657 274723728 /nfs/dbraw/zinc/72/37/28/274723728.db2.gz QUSUKHZRQBDLHE-AWEZNQCLSA-N 1 0 307.419 2.531 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000423564735 428971872 /nfs/dbraw/zinc/97/18/72/428971872.db2.gz SBXXGZVRHBIQBT-KRWDZBQOSA-N 1 0 317.389 2.544 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420212464 428947403 /nfs/dbraw/zinc/94/74/03/428947403.db2.gz XXCNBCGMKHWKOE-UONOGXRCSA-N 1 0 312.373 3.196 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(C3CC3)CCOCC2)cc1 ZINC000375704532 428948924 /nfs/dbraw/zinc/94/89/24/428948924.db2.gz LVZWQLSCGZGZGS-UHFFFAOYSA-N 1 0 320.389 2.913 20 5 DFBDRO C[C@@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420257261 428954013 /nfs/dbraw/zinc/95/40/13/428954013.db2.gz IJVLPWMZKYHRKY-NSHDSACASA-N 1 0 318.352 3.335 20 5 DFBDRO C[NH+](C)C1CCC(Nc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420629543 428960552 /nfs/dbraw/zinc/96/05/52/428960552.db2.gz QXRZRBHDOCZACH-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DFBDRO CCc1nn(C)c(NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1[N+](=O)[O-] ZINC000354323960 428966923 /nfs/dbraw/zinc/96/69/23/428966923.db2.gz ISGOEAXKFGGKEZ-TXEJJXNPSA-N 1 0 309.414 2.566 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412158755 428968008 /nfs/dbraw/zinc/96/80/08/428968008.db2.gz MUMOAEXXCUTUPL-JKSUJKDBSA-N 1 0 319.405 2.546 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000421747238 429026145 /nfs/dbraw/zinc/02/61/45/429026145.db2.gz BLZJFOQKUZUTNN-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000421759312 429027932 /nfs/dbraw/zinc/02/79/32/429027932.db2.gz CFYYRGLCKFALQD-UHFFFAOYSA-N 1 0 319.405 2.625 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000421765259 429029207 /nfs/dbraw/zinc/02/92/07/429029207.db2.gz YKZFNDHSDKPOLT-UHFFFAOYSA-N 1 0 319.405 2.768 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000421772438 429031616 /nfs/dbraw/zinc/03/16/16/429031616.db2.gz ZMSAIEZXDUUERX-AWEZNQCLSA-N 1 0 321.421 2.918 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1[N+](=O)[O-] ZINC000375798206 428979035 /nfs/dbraw/zinc/97/90/35/428979035.db2.gz WEVODSQJDGNKAQ-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808614 428981156 /nfs/dbraw/zinc/98/11/56/428981156.db2.gz DCNYQRXJSIONCI-IAGOWNOFSA-N 1 0 303.406 2.696 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[S@](=O)C[C@H](C)C1 ZINC000433020423 428981221 /nfs/dbraw/zinc/98/12/21/428981221.db2.gz CIORYXGZUKFCJD-AYTFZUPSSA-N 1 0 322.430 2.699 20 5 DFBDRO COc1ccc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000375809584 428983396 /nfs/dbraw/zinc/98/33/96/428983396.db2.gz FHAXYVBITQTYMO-CABCVRRESA-N 1 0 319.405 2.662 20 5 DFBDRO COC1([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421398602 428994557 /nfs/dbraw/zinc/99/45/57/428994557.db2.gz GQUZKOWRPOLLFP-VSKVDJIOSA-N 1 0 320.389 2.782 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423754644 429009423 /nfs/dbraw/zinc/00/94/23/429009423.db2.gz ZYHWYLVNFCIMBF-GHMZBOCLSA-N 1 0 323.418 2.564 20 5 DFBDRO COc1ccc(CNC2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000376018761 429043437 /nfs/dbraw/zinc/04/34/37/429043437.db2.gz KNMXKXJHHRSLCM-UHFFFAOYSA-N 1 0 319.405 2.710 20 5 DFBDRO COC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000452094192 429055257 /nfs/dbraw/zinc/05/52/57/429055257.db2.gz VTLPYDGYBVVGEL-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452113468 429061524 /nfs/dbraw/zinc/06/15/24/429061524.db2.gz BZRXOGAHGXNYEU-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376235244 429082769 /nfs/dbraw/zinc/08/27/69/429082769.db2.gz PDCBMPRMHOKDGO-MZBDJJRSSA-N 1 0 319.405 2.803 20 5 DFBDRO Cc1sc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000434444937 429088859 /nfs/dbraw/zinc/08/88/59/429088859.db2.gz MCMLQINNKDITSL-GFCCVEGCSA-N 1 0 323.418 2.711 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413123273 429142776 /nfs/dbraw/zinc/14/27/76/429142776.db2.gz MEJFNKZWQZQEIW-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000413134191 429147682 /nfs/dbraw/zinc/14/76/82/429147682.db2.gz LCDQXASZLPNKPV-LBPRGKRZSA-N 1 0 308.357 2.584 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423503618 429102390 /nfs/dbraw/zinc/10/23/90/429102390.db2.gz MXIXIBRNMRBRLP-RYUDHWBXSA-N 1 0 305.378 2.541 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578597 429140022 /nfs/dbraw/zinc/14/00/22/429140022.db2.gz CCNUIJSQZZHFEX-STQMWFEESA-N 1 0 323.418 2.745 20 5 DFBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1cc(F)ccc1[N+](=O)[O-] ZINC000368646588 274999293 /nfs/dbraw/zinc/99/92/93/274999293.db2.gz XMRISSQXKJSCKH-UHFFFAOYSA-N 1 0 315.304 2.632 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](C2CCC2)CC1 ZINC000276640437 275034431 /nfs/dbraw/zinc/03/44/31/275034431.db2.gz PJKLYBVHYLFMRA-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CC3)CC2)c2ncccc12 ZINC000171831599 275036099 /nfs/dbraw/zinc/03/60/99/275036099.db2.gz DHTRUFFIRSJYAA-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)c2ccncc21 ZINC000298745414 275036597 /nfs/dbraw/zinc/03/65/97/275036597.db2.gz UMIHIKRRCJXPNI-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)c2ccncc21 ZINC000266257427 275036841 /nfs/dbraw/zinc/03/68/41/275036841.db2.gz ODWGACGZOPHUMR-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2(O)CCCCC2)n1 ZINC000332067967 275040401 /nfs/dbraw/zinc/04/04/01/275040401.db2.gz URQKHXPLUJBCLS-KGLIPLIRSA-N 1 0 322.409 2.560 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487936362 429175282 /nfs/dbraw/zinc/17/52/82/429175282.db2.gz WADWJROBVZWYME-CYBMUJFWSA-N 1 0 314.389 2.851 20 5 DFBDRO COc1ccccc1C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000364331164 429182569 /nfs/dbraw/zinc/18/25/69/429182569.db2.gz YEIVSFMKKLTTFX-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000364311667 429178962 /nfs/dbraw/zinc/17/89/62/429178962.db2.gz WTQHGFBSGSHISA-QRTARXTBSA-N 1 0 320.389 2.892 20 5 DFBDRO CC(C)[C@@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488574577 429186338 /nfs/dbraw/zinc/18/63/38/429186338.db2.gz RJHBGJIAEJDZAX-QLBOMPFWSA-N 1 0 303.406 2.880 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)n1 ZINC000488736382 429193053 /nfs/dbraw/zinc/19/30/53/429193053.db2.gz PSXGVBZWNAVRHI-TYNCELHUSA-N 1 0 318.421 2.773 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737794 429193552 /nfs/dbraw/zinc/19/35/52/429193552.db2.gz SGQHFZUSDOYVQH-YWPYICTPSA-N 1 0 307.369 2.900 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3cn[nH]c3)CC2)c1 ZINC000364415491 429198278 /nfs/dbraw/zinc/19/82/78/429198278.db2.gz JIOAQUWKXNZEFU-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416332 429199474 /nfs/dbraw/zinc/19/94/74/429199474.db2.gz LMSFZZMGAYZQAW-GHMZBOCLSA-N 1 0 323.780 2.605 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc1 ZINC000425272281 429256612 /nfs/dbraw/zinc/25/66/12/429256612.db2.gz FTMJVLYBSCFLLF-DOTOQJQBSA-N 1 0 324.384 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2Cn2cccn2)cc1 ZINC000364741266 429259889 /nfs/dbraw/zinc/25/98/89/429259889.db2.gz HETTWWUIUADIJA-INIZCTEOSA-N 1 0 300.362 2.846 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425348150 429271362 /nfs/dbraw/zinc/27/13/62/429271362.db2.gz BQRUMKKFXXHERQ-GRBZDGQOSA-N 1 0 301.390 2.634 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425356003 429276143 /nfs/dbraw/zinc/27/61/43/429276143.db2.gz NAVLBZHKDWKHRT-VDBIKXPHSA-N 1 0 313.361 2.606 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000501812627 429327588 /nfs/dbraw/zinc/32/75/88/429327588.db2.gz HPTGHTDXSLIWBZ-CHWSQXEVSA-N 1 0 308.378 2.960 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C1CCCC1 ZINC000449130301 429340430 /nfs/dbraw/zinc/34/04/30/429340430.db2.gz YHYNREACNBSUQS-AWEZNQCLSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccccc1 ZINC000449138209 429341983 /nfs/dbraw/zinc/34/19/83/429341983.db2.gz BDPPXQDBQMFJAA-XJKSGUPXSA-N 1 0 300.358 2.849 20 5 DFBDRO CN(C)c1ncccc1NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491306536 429345912 /nfs/dbraw/zinc/34/59/12/429345912.db2.gz SFWARAWBWAFIMO-HJWRWDBZSA-N 1 0 312.329 2.708 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCOC1 ZINC000449163892 429346653 /nfs/dbraw/zinc/34/66/53/429346653.db2.gz NWGGASLBYNMODF-GJZGRUSLSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)OC(C)(C)C ZINC000449165693 429346996 /nfs/dbraw/zinc/34/69/96/429346996.db2.gz XCTVANXIIFAAFS-GFCCVEGCSA-N 1 0 308.378 2.847 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1N(C)C ZINC000449335799 429391255 /nfs/dbraw/zinc/39/12/55/429391255.db2.gz LWPVFPOXNWFFLT-CYBMUJFWSA-N 1 0 314.389 2.777 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426462899 429391941 /nfs/dbraw/zinc/39/19/41/429391941.db2.gz WIYWJDZBUUWLGG-DOMZBBRYSA-N 1 0 303.362 2.716 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC(c3c[nH]cn3)CC2)c(Cl)c1 ZINC000365876491 429394479 /nfs/dbraw/zinc/39/44/79/429394479.db2.gz BXZKQUUAVVPPJN-UHFFFAOYSA-N 1 0 307.741 2.750 20 5 DFBDRO CC[N@H+](CCNc1ncc(C)cc1[N+](=O)[O-])CCC(F)(F)F ZINC000491722575 429396808 /nfs/dbraw/zinc/39/68/08/429396808.db2.gz YLTCQBWBOUNBIS-UHFFFAOYSA-N 1 0 320.315 2.984 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491435014 429359803 /nfs/dbraw/zinc/35/98/03/429359803.db2.gz JUTQXBNRDZSYKW-HJWRWDBZSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncccc1N(C)C ZINC000449335800 429389649 /nfs/dbraw/zinc/38/96/49/429389649.db2.gz LWPVFPOXNWFFLT-ZDUSSCGKSA-N 1 0 314.389 2.777 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@@H]1CCC[NH2+]C1)CCCC2 ZINC000519609537 429470805 /nfs/dbraw/zinc/47/08/05/429470805.db2.gz PSEZKDMFPMUSHF-LBPRGKRZSA-N 1 0 304.394 2.670 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449583199 429455842 /nfs/dbraw/zinc/45/58/42/429455842.db2.gz HXLRHMZDVBFZGX-ZDUSSCGKSA-N 1 0 310.394 2.832 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NCC[C@H]1CCC[NH2+]C1)CCCC2 ZINC000519609530 429469769 /nfs/dbraw/zinc/46/97/69/429469769.db2.gz PSEZKDMFPMUSHF-GFCCVEGCSA-N 1 0 304.394 2.670 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427130310 429434086 /nfs/dbraw/zinc/43/40/86/429434086.db2.gz GYUDTHHARVYGQD-ZBFHGGJFSA-N 1 0 303.406 2.902 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427896078 429477499 /nfs/dbraw/zinc/47/74/99/429477499.db2.gz VAFSKIGYLVYCBZ-JSGCOSHPSA-N 1 0 300.362 2.765 20 5 DFBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366579672 429481556 /nfs/dbraw/zinc/48/15/56/429481556.db2.gz RKKHNDCEPIMGHK-WBMJQRKESA-N 1 0 324.352 2.504 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710005 429486900 /nfs/dbraw/zinc/48/69/00/429486900.db2.gz LDUZJTBZUCNLFE-YPMHNXCESA-N 1 0 319.405 2.750 20 5 DFBDRO COC(=O)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000366616458 429488106 /nfs/dbraw/zinc/48/81/06/429488106.db2.gz AWCMEBYXTSSGND-CYBMUJFWSA-N 1 0 306.362 2.534 20 5 DFBDRO CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C(C)C ZINC000520428890 429514865 /nfs/dbraw/zinc/51/48/65/429514865.db2.gz DAVKQKVUYIDHBX-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000366835008 429521278 /nfs/dbraw/zinc/52/12/78/429521278.db2.gz AWGUJAWUCKNUQY-HUUCEWRRSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000429151476 429583834 /nfs/dbraw/zinc/58/38/34/429583834.db2.gz NNDVASFQYGKGQR-QWRGUYRKSA-N 1 0 317.345 2.540 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450250732 429586097 /nfs/dbraw/zinc/58/60/97/429586097.db2.gz NBHVKPKRKYNYDB-CYBMUJFWSA-N 1 0 314.389 3.429 20 5 DFBDRO C[NH+](C)C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000450249829 429586102 /nfs/dbraw/zinc/58/61/02/429586102.db2.gz CXCPSJRMXRJPNQ-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO C[C@H]1CCCN1C(=O)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429228004 429587802 /nfs/dbraw/zinc/58/78/02/429587802.db2.gz RGOAZECJJXXJJQ-ZDUSSCGKSA-N 1 0 319.405 2.821 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@H]21 ZINC000247006587 275889910 /nfs/dbraw/zinc/88/99/10/275889910.db2.gz SXNGYRQJIXYKNX-ARFHVFGLSA-N 1 0 304.390 2.931 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366936612 429544160 /nfs/dbraw/zinc/54/41/60/429544160.db2.gz OYCGQJQIQCYUBE-UKRRQHHQSA-N 1 0 306.362 2.617 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCc2nc3cc(F)ccc3[nH]2)cn1 ZINC000428698869 429546450 /nfs/dbraw/zinc/54/64/50/429546450.db2.gz FUMVOAXZJSVNAL-UHFFFAOYSA-N 1 0 301.281 2.660 20 5 DFBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])n2C)ccc1C[NH+](C)C ZINC000458320180 429619743 /nfs/dbraw/zinc/61/97/43/429619743.db2.gz PILKAVLDUQIGJB-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C(C)C ZINC000429397409 429604842 /nfs/dbraw/zinc/60/48/42/429604842.db2.gz ZEZZVRCPFKGWRF-ZFWWWQNUSA-N 1 0 324.352 2.753 20 5 DFBDRO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430202399 429660806 /nfs/dbraw/zinc/66/08/06/429660806.db2.gz CMHGGIGZYHMEDE-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1ccncc1 ZINC000430200594 429661192 /nfs/dbraw/zinc/66/11/92/429661192.db2.gz AONRPJZICOBUOB-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000430219526 429663123 /nfs/dbraw/zinc/66/31/23/429663123.db2.gz OBSZWKMKZIFIKV-BLLLJJGKSA-N 1 0 308.378 2.586 20 5 DFBDRO CCN(C)C(=O)[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279135102 276067867 /nfs/dbraw/zinc/06/78/67/276067867.db2.gz RJWCEZUFCHLUFO-ABAIWWIYSA-N 1 0 319.405 2.774 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C)C1CC1 ZINC000119905996 276128656 /nfs/dbraw/zinc/12/86/56/276128656.db2.gz UYKHBRWKZIBLCX-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000367609801 429683830 /nfs/dbraw/zinc/68/38/30/429683830.db2.gz XTPOTUXYQBUNLA-ZOBUZTSGSA-N 1 0 303.406 2.600 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000367588801 429677570 /nfs/dbraw/zinc/67/75/70/429677570.db2.gz XQHYEFYHFFXDOU-YOEHRIQHSA-N 1 0 303.406 2.696 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367625173 429688696 /nfs/dbraw/zinc/68/86/96/429688696.db2.gz XDCZQXYRPQYVAC-ARFHVFGLSA-N 1 0 319.405 2.566 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430579299 429695406 /nfs/dbraw/zinc/69/54/06/429695406.db2.gz CCFBIQWRMXMKLT-LBPRGKRZSA-N 1 0 306.366 2.541 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C ZINC000480513012 429721981 /nfs/dbraw/zinc/72/19/81/429721981.db2.gz CICUDANOOJKFCR-AWEZNQCLSA-N 1 0 306.410 3.365 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]Cc3ccccc32)cc1 ZINC000430940739 429726441 /nfs/dbraw/zinc/72/64/41/429726441.db2.gz QTWBZBJWGNSWGZ-UHFFFAOYSA-N 1 0 313.357 2.583 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC2(CCC[N@H+]2C)CC1 ZINC000367840769 429727815 /nfs/dbraw/zinc/72/78/15/429727815.db2.gz CHPCNQIZMNUJES-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000375853657 276442024 /nfs/dbraw/zinc/44/20/24/276442024.db2.gz XNZFZXXWEFOFLX-DZGCQCFKSA-N 1 0 315.377 2.550 20 5 DFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000431130469 429745296 /nfs/dbraw/zinc/74/52/96/429745296.db2.gz VMHYKALNQDYCAB-ZBFHGGJFSA-N 1 0 322.405 2.701 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000431570708 429771023 /nfs/dbraw/zinc/77/10/23/429771023.db2.gz NUERZEGHFNBLBK-CHWSQXEVSA-N 1 0 322.409 2.553 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000368058968 429777993 /nfs/dbraw/zinc/77/79/93/429777993.db2.gz AYUCNEHODVXHED-KRWDZBQOSA-N 1 0 322.405 2.834 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c(Cl)c1 ZINC000368081968 429783057 /nfs/dbraw/zinc/78/30/57/429783057.db2.gz REBWQLMDHWKOGU-JTQLQIEISA-N 1 0 306.753 2.618 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@H](F)C3)o2)c1 ZINC000451191473 429785463 /nfs/dbraw/zinc/78/54/63/429785463.db2.gz HENBEKDVKXNXTJ-LBPRGKRZSA-N 1 0 305.309 2.836 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368104951 429789002 /nfs/dbraw/zinc/78/90/02/429789002.db2.gz MCIWBJIZMVOIBK-GXTWGEPZSA-N 1 0 314.389 2.786 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451413657 429824427 /nfs/dbraw/zinc/82/44/27/429824427.db2.gz CGPJJJMJPLIWDQ-ARFHVFGLSA-N 1 0 320.389 2.729 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451466968 429831739 /nfs/dbraw/zinc/83/17/39/429831739.db2.gz IUEPGFHJYHRRPX-DFBGVHRSSA-N 1 0 306.362 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451507275 429838823 /nfs/dbraw/zinc/83/88/23/429838823.db2.gz VPYNRZYDJKJKFM-VCTAVGKDSA-N 1 0 306.337 2.781 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493849649 429840922 /nfs/dbraw/zinc/84/09/22/429840922.db2.gz IKKHKFYQTUVLGC-CDNLZTBQSA-N 1 0 317.389 2.551 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000451528326 429843926 /nfs/dbraw/zinc/84/39/26/429843926.db2.gz QCNWKQLJRUXJQG-WFASDCNBSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000368429529 429847117 /nfs/dbraw/zinc/84/71/17/429847117.db2.gz OOCIRBBOHMUBBQ-VFFTVRQLSA-N 1 0 317.389 2.563 20 5 DFBDRO COC(=O)CCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545163 429849305 /nfs/dbraw/zinc/84/93/05/429849305.db2.gz GTTMEQXJYXYHDH-CQSZACIVSA-N 1 0 306.362 2.727 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451548628 429850502 /nfs/dbraw/zinc/85/05/02/429850502.db2.gz VFJNEFGPMDIYKQ-SWLSCSKDSA-N 1 0 308.378 2.850 20 5 DFBDRO CC(C)OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551700 429851621 /nfs/dbraw/zinc/85/16/21/429851621.db2.gz UQFGPAIMGSFPMG-WBVHZDCISA-N 1 0 322.405 2.560 20 5 DFBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368523409 429861947 /nfs/dbraw/zinc/86/19/47/429861947.db2.gz FSLRISRYWBUNJH-NSHDSACASA-N 1 0 312.757 2.559 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432310111 429813620 /nfs/dbraw/zinc/81/36/20/429813620.db2.gz FQZOFJIYUDPJPQ-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000368236269 429814454 /nfs/dbraw/zinc/81/44/54/429814454.db2.gz SSSXMNJFVWIOSB-MAZHCROVSA-N 1 0 317.389 2.522 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[C@@H]([NH+]4CC=CC4)C3)ccnc21 ZINC000432331010 429814497 /nfs/dbraw/zinc/81/44/97/429814497.db2.gz IDCTVAFCRHRRNU-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000494409927 429871350 /nfs/dbraw/zinc/87/13/50/429871350.db2.gz IDIDEFYUSBHIBH-LLVKDONJSA-N 1 0 306.753 2.549 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000451694004 429872990 /nfs/dbraw/zinc/87/29/90/429872990.db2.gz BCXBGUQXILHUKV-ILXRZTDVSA-N 1 0 320.389 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1 ZINC000451695889 429873374 /nfs/dbraw/zinc/87/33/74/429873374.db2.gz AKUVFULAUGVODG-VYDXJSESSA-N 1 0 304.390 2.620 20 5 DFBDRO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000363488839 276724410 /nfs/dbraw/zinc/72/44/10/276724410.db2.gz JELZYTDKADRYOE-OAHLLOKOSA-N 1 0 300.362 2.978 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000270046977 276889160 /nfs/dbraw/zinc/88/91/60/276889160.db2.gz BIJMZLVSACZSLZ-GFCCVEGCSA-N 1 0 324.812 2.811 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000562691750 430167370 /nfs/dbraw/zinc/16/73/70/430167370.db2.gz LJRJZVQVOWKLPI-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000562692152 430168154 /nfs/dbraw/zinc/16/81/54/430168154.db2.gz SVKXZCPINUZIGH-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO Cc1ccc(-c2csc(NC3CC[NH2+]CC3)n2)cc1[N+](=O)[O-] ZINC000563211810 430180055 /nfs/dbraw/zinc/18/00/55/430180055.db2.gz SLPCAUFEVHKXIC-UHFFFAOYSA-N 1 0 318.402 3.191 20 5 DFBDRO COC1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340441318 277183526 /nfs/dbraw/zinc/18/35/26/277183526.db2.gz OITIYNLPYZITEE-KGLIPLIRSA-N 1 0 322.409 2.824 20 5 DFBDRO C[N@@H+]1CCc2ncnc(Oc3ccc(Cl)cc3[N+](=O)[O-])c2C1 ZINC000299592833 277191181 /nfs/dbraw/zinc/19/11/81/277191181.db2.gz KTRRBUPSMDNXHD-UHFFFAOYSA-N 1 0 320.736 2.818 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000193887314 277398841 /nfs/dbraw/zinc/39/88/41/277398841.db2.gz MYLGAFJZBNAMFL-FRRDWIJNSA-N 1 0 306.362 2.896 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476541 430263556 /nfs/dbraw/zinc/26/35/56/430263556.db2.gz ZNVUNLSNNDVCMU-KCXAZCMYSA-N 1 0 303.406 2.900 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N(C)CCC[NH+](C)C ZINC000547320384 430384000 /nfs/dbraw/zinc/38/40/00/430384000.db2.gz YECBACDVCGNBHJ-OAHLLOKOSA-N 1 0 321.421 2.574 20 5 DFBDRO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569659257 430473118 /nfs/dbraw/zinc/47/31/18/430473118.db2.gz CJTDPJOAPGTOEI-DZGCQCFKSA-N 1 0 319.405 2.641 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000548454013 430477186 /nfs/dbraw/zinc/47/71/86/430477186.db2.gz KBUIVNQKXYZZDG-HNNXBMFYSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@@H](Nc1nccc2cc([N+](=O)[O-])ccc21)C1CC[NH+](C)CC1 ZINC000599042317 430526552 /nfs/dbraw/zinc/52/65/52/430526552.db2.gz CCLVCFRUDHYWBO-GFCCVEGCSA-N 1 0 314.389 3.285 20 5 DFBDRO COC(=O)CCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599311994 430529028 /nfs/dbraw/zinc/52/90/28/430529028.db2.gz PPOWCLZDFSOBRE-UHFFFAOYSA-N 1 0 306.362 2.903 20 5 DFBDRO COc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000570376673 430537369 /nfs/dbraw/zinc/53/73/69/430537369.db2.gz UPLXUXIYIITPTI-SNVBAGLBSA-N 1 0 309.341 2.639 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000570838991 430580989 /nfs/dbraw/zinc/58/09/89/430580989.db2.gz QMZSRJJSSYBGBD-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000552111817 430584679 /nfs/dbraw/zinc/58/46/79/430584679.db2.gz BEGYGFKQJDECRT-ZDUSSCGKSA-N 1 0 316.357 2.900 20 5 DFBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000552111816 430585026 /nfs/dbraw/zinc/58/50/26/430585026.db2.gz BEGYGFKQJDECRT-CYBMUJFWSA-N 1 0 316.357 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000571742874 430650219 /nfs/dbraw/zinc/65/02/19/430650219.db2.gz MAIXTCKPYIWUOK-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC23CCOCC3)cc1 ZINC000554558955 430644205 /nfs/dbraw/zinc/64/42/05/430644205.db2.gz QQXZPYJKDKBZBP-HNNXBMFYSA-N 1 0 306.362 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000572092567 430671278 /nfs/dbraw/zinc/67/12/78/430671278.db2.gz KDUVLTSHZJKEPV-WOSRLPQWSA-N 1 0 317.389 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000275944496 278021528 /nfs/dbraw/zinc/02/15/28/278021528.db2.gz YZFPOJDKHBXVLS-CYBMUJFWSA-N 1 0 319.405 2.742 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000302014172 278242134 /nfs/dbraw/zinc/24/21/34/278242134.db2.gz LAGNAVGTHSMNGZ-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267546120 278246281 /nfs/dbraw/zinc/24/62/81/278246281.db2.gz CSNACRYOKSYECW-SMDDNHRTSA-N 1 0 305.378 2.574 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301411398 278246711 /nfs/dbraw/zinc/24/67/11/278246711.db2.gz KHPNYFYALHPDRO-BXUZGUMPSA-N 1 0 305.378 2.716 20 5 DFBDRO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[NH2+]C1 ZINC000261926367 278389809 /nfs/dbraw/zinc/38/98/09/278389809.db2.gz ISHVHAHPJKPMCY-YPMHNXCESA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1cc(Br)ccc1[N+](=O)[O-] ZINC000216206006 278890971 /nfs/dbraw/zinc/89/09/71/278890971.db2.gz BDXLRDVNCAISDI-BDAKNGLRSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@H](Cn1cccn1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278691191 279387775 /nfs/dbraw/zinc/38/77/75/279387775.db2.gz KMIMMUMJOBSJCT-WBMJQRKESA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090178595 279501205 /nfs/dbraw/zinc/50/12/05/279501205.db2.gz KXMAXHIZIUSLSD-WCQYABFASA-N 1 0 305.378 2.645 20 5 DFBDRO O=C(NC1CC[NH2+]CC1)c1cc2ccccc2c2cccnc12 ZINC000262492877 279828906 /nfs/dbraw/zinc/82/89/06/279828906.db2.gz AUNNUHDAVSCJAV-UHFFFAOYSA-N 1 0 305.381 2.870 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCc3c[nH+]ccc32)c(Br)c1 ZINC000127782159 280381336 /nfs/dbraw/zinc/38/13/36/280381336.db2.gz NZXXOSMACKDXPD-UHFFFAOYSA-N 1 0 321.134 2.842 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000298726778 280977140 /nfs/dbraw/zinc/97/71/40/280977140.db2.gz BIBBFNLIOWLCLB-KBPBESRZSA-N 1 0 319.405 2.955 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375328451 281020153 /nfs/dbraw/zinc/02/01/53/281020153.db2.gz NXQOYASVNMPMAQ-OCCSQVGLSA-N 1 0 301.350 2.503 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894393 281188026 /nfs/dbraw/zinc/18/80/26/281188026.db2.gz SFWJOVLGUVTYNF-KBPBESRZSA-N 1 0 304.394 2.751 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000247119981 288311949 /nfs/dbraw/zinc/31/19/49/288311949.db2.gz IZVDATXUXDQENM-PWSUYJOCSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176250093 281397450 /nfs/dbraw/zinc/39/74/50/281397450.db2.gz DKBLPKCDYNRJPL-CABCVRRESA-N 1 0 314.389 2.978 20 5 DFBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176250062 281398307 /nfs/dbraw/zinc/39/83/07/281398307.db2.gz DKBLPKCDYNRJPL-GJZGRUSLSA-N 1 0 314.389 2.978 20 5 DFBDRO Cc1ccnc(N2CC[NH+](C3CCC(C)CC3)CC2)c1[N+](=O)[O-] ZINC000301304492 281457155 /nfs/dbraw/zinc/45/71/55/281457155.db2.gz SYEYTEWXJQDBGZ-UHFFFAOYSA-N 1 0 318.421 2.999 20 5 DFBDRO CC[C@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415702870 289121308 /nfs/dbraw/zinc/12/13/08/289121308.db2.gz QCWGAZNZZHDSCH-JTQLQIEISA-N 1 0 308.382 2.751 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000415705216 289122204 /nfs/dbraw/zinc/12/22/04/289122204.db2.gz STQQIIRUDOPWNK-LLVKDONJSA-N 1 0 320.393 2.847 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415732542 289127521 /nfs/dbraw/zinc/12/75/21/289127521.db2.gz AKNSLVVTIJETKC-NEPJUHHUSA-N 1 0 306.366 2.549 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415756954 289131041 /nfs/dbraw/zinc/13/10/41/289131041.db2.gz FUKKPRILFONBPZ-UHFFFAOYSA-N 1 0 308.382 2.796 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415770916 289133886 /nfs/dbraw/zinc/13/38/86/289133886.db2.gz ZGABFMZINQDFKS-AAEUAGOBSA-N 1 0 320.393 2.606 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415770918 289133987 /nfs/dbraw/zinc/13/39/87/289133987.db2.gz ZGABFMZINQDFKS-WCQYABFASA-N 1 0 320.393 2.606 20 5 DFBDRO C[C@H]([NH2+][C@@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272481689 289998792 /nfs/dbraw/zinc/99/87/92/289998792.db2.gz CEMMHGQYXRDLMP-XHDPSFHLSA-N 1 0 300.362 2.806 20 5 DFBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090178597 290038252 /nfs/dbraw/zinc/03/82/52/290038252.db2.gz KXMAXHIZIUSLSD-AAEUAGOBSA-N 1 0 305.378 2.645 20 5 DFBDRO O=C(CC[C@@H]1CCC[NH2+]1)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000494515539 299872484 /nfs/dbraw/zinc/87/24/84/299872484.db2.gz QRSDFNNHODUHRB-HNNXBMFYSA-N 1 0 319.405 2.566 20 5 DFBDRO CC(C)[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000438483138 297094817 /nfs/dbraw/zinc/09/48/17/297094817.db2.gz CGBGFZNWWXCYNG-ZDUSSCGKSA-N 1 0 305.378 2.536 20 5 DFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccccc1[N+](=O)[O-] ZINC000438571406 297099240 /nfs/dbraw/zinc/09/92/40/297099240.db2.gz YMPAKNKMHVZOMC-UHFFFAOYSA-N 1 0 313.357 2.951 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764388 297204920 /nfs/dbraw/zinc/20/49/20/297204920.db2.gz KMITUOPHVHCKRH-CHWSQXEVSA-N 1 0 307.394 2.551 20 5 DFBDRO CO[C@@H](C)C[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000444230566 297233769 /nfs/dbraw/zinc/23/37/69/297233769.db2.gz ZTVLZSDRHLJSNU-ZDUSSCGKSA-N 1 0 323.393 2.587 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000444782787 297250983 /nfs/dbraw/zinc/25/09/83/297250983.db2.gz KQYPXDXZSZZAPW-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO CC(C)N(CC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000444827372 297253502 /nfs/dbraw/zinc/25/35/02/297253502.db2.gz JVBMGETWPFGXMQ-UHFFFAOYSA-N 1 0 302.378 2.919 20 5 DFBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536034 297307372 /nfs/dbraw/zinc/30/73/72/297307372.db2.gz KJMQIJPMGJIAQS-MELADBBJSA-N 1 0 324.425 2.662 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000447560536 297308381 /nfs/dbraw/zinc/30/83/81/297308381.db2.gz DPBBKHZOXBIOQD-HZSPNIEDSA-N 1 0 324.425 2.926 20 5 DFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583720 297309101 /nfs/dbraw/zinc/30/91/01/297309101.db2.gz CLXYHYCMZHAJBF-APIJFGDWSA-N 1 0 322.409 2.680 20 5 DFBDRO C[C@](O)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447579996 297309202 /nfs/dbraw/zinc/30/92/02/297309202.db2.gz MTWXUCDNJIKVLN-OLZOCXBDSA-N 1 0 318.295 2.875 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3ccnc3C1)CCC2 ZINC000447603501 297310743 /nfs/dbraw/zinc/31/07/43/297310743.db2.gz XXKDHLKJODZKGB-CJNGLKHVSA-N 1 0 312.373 2.773 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447682736 297313220 /nfs/dbraw/zinc/31/32/20/297313220.db2.gz JLTOHJPQDAFHOZ-GFCCVEGCSA-N 1 0 317.393 2.569 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2N(C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000447895065 297324352 /nfs/dbraw/zinc/32/43/52/297324352.db2.gz AFRSFUXTIIQWJC-INIZCTEOSA-N 1 0 321.421 2.813 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCCO1 ZINC000449067202 297399795 /nfs/dbraw/zinc/39/97/95/297399795.db2.gz JISUXUMAJIYTBP-GOEBONIOSA-N 1 0 322.405 2.701 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCCO1 ZINC000449067203 297399961 /nfs/dbraw/zinc/39/99/61/297399961.db2.gz JISUXUMAJIYTBP-HOCLYGCPSA-N 1 0 322.405 2.701 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000449095055 297404521 /nfs/dbraw/zinc/40/45/21/297404521.db2.gz VXMPJPPLCWSEAU-OCBCSQNSSA-N 1 0 312.369 2.774 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449157703 297415226 /nfs/dbraw/zinc/41/52/26/297415226.db2.gz WGOJAZNHFDOECV-HNNXBMFYSA-N 1 0 319.405 2.504 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000449193224 297420546 /nfs/dbraw/zinc/42/05/46/297420546.db2.gz VXMPJPPLCWSEAU-UUWFMWQGSA-N 1 0 312.369 2.774 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449239203 297427690 /nfs/dbraw/zinc/42/76/90/297427690.db2.gz IMLLBANEKLXSJF-JHJVBQTASA-N 1 0 308.378 2.703 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@H]21 ZINC000451480251 297812360 /nfs/dbraw/zinc/81/23/60/297812360.db2.gz PVXXRSIAIWJGQL-APHBMKBZSA-N 1 0 320.389 2.767 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21 ZINC000451480253 297812388 /nfs/dbraw/zinc/81/23/88/297812388.db2.gz PVXXRSIAIWJGQL-MAZHCROVSA-N 1 0 320.389 2.767 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000451481603 297813178 /nfs/dbraw/zinc/81/31/78/297813178.db2.gz AYELZYFZYPTLGA-HOCLYGCPSA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451483689 297813962 /nfs/dbraw/zinc/81/39/62/297813962.db2.gz BGRJPLMQXLFLLA-UONOGXRCSA-N 1 0 312.341 2.646 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1COCC1(C)C ZINC000451813801 297879420 /nfs/dbraw/zinc/87/94/20/297879420.db2.gz WCEZMZOMEDGRRA-HNNXBMFYSA-N 1 0 308.378 2.897 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000451839254 297884560 /nfs/dbraw/zinc/88/45/60/297884560.db2.gz JNILZVMRHIVKAL-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453244742 298074687 /nfs/dbraw/zinc/07/46/87/298074687.db2.gz HMOKPUIMXQQNIN-RDBSUJKOSA-N 1 0 310.398 2.680 20 5 DFBDRO CCC[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453244731 298074763 /nfs/dbraw/zinc/07/47/63/298074763.db2.gz HMOKPUIMXQQNIN-MCIONIFRSA-N 1 0 310.398 2.680 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453301942 298081429 /nfs/dbraw/zinc/08/14/29/298081429.db2.gz YEGSZNPAUUUNPT-VNQPRFMTSA-N 1 0 308.378 2.687 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453301939 298081689 /nfs/dbraw/zinc/08/16/89/298081689.db2.gz YEGSZNPAUUUNPT-KBMXLJTQSA-N 1 0 308.378 2.687 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000453330586 298083737 /nfs/dbraw/zinc/08/37/37/298083737.db2.gz DSJDNOPZJGREHD-WCQYABFASA-N 1 0 302.378 2.919 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000453382881 298088848 /nfs/dbraw/zinc/08/88/48/298088848.db2.gz LTQWVOUZBXXMHW-NVXWUHKLSA-N 1 0 304.390 2.667 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc21 ZINC000453402602 298090662 /nfs/dbraw/zinc/09/06/62/298090662.db2.gz CKMOIBQPNUCBHV-PBHICJAKSA-N 1 0 317.389 2.576 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453406553 298090941 /nfs/dbraw/zinc/09/09/41/298090941.db2.gz KUENEFIPKNAOFN-DPAVQSFQSA-N 1 0 304.390 2.809 20 5 DFBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000453623520 298105873 /nfs/dbraw/zinc/10/58/73/298105873.db2.gz BPIKIGXLNDCPTM-BXKDBHETSA-N 1 0 316.304 2.853 20 5 DFBDRO Cc1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000454155777 298128269 /nfs/dbraw/zinc/12/82/69/298128269.db2.gz XALKRTUNLXWUJF-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[N@H+](CCCCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC1 ZINC000455343145 298342090 /nfs/dbraw/zinc/34/20/90/298342090.db2.gz YTRGBYSUOCTXII-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271471330 298466903 /nfs/dbraw/zinc/46/69/03/298466903.db2.gz IXPVYTXTVLZJRQ-SIMDFCGZSA-N 1 0 324.446 2.663 20 5 DFBDRO C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000497121911 300165096 /nfs/dbraw/zinc/16/50/96/300165096.db2.gz ANDORIISWCQGIJ-GFCCVEGCSA-N 1 0 323.393 2.988 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC000515311216 300300504 /nfs/dbraw/zinc/30/05/04/300300504.db2.gz CKTBOJVAWQLFEV-CJNGLKHVSA-N 1 0 320.389 2.615 20 5 DFBDRO [NH3+][C@@H]1C[C@@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173859 300332787 /nfs/dbraw/zinc/33/27/87/300332787.db2.gz GGXVELKVLQCEHK-IAGOWNOFSA-N 1 0 313.357 2.708 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000516563496 300348594 /nfs/dbraw/zinc/34/85/94/300348594.db2.gz JURSHKQPBTZSGF-DOTOQJQBSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000516563497 300348804 /nfs/dbraw/zinc/34/88/04/300348804.db2.gz JURSHKQPBTZSGF-NVXWUHKLSA-N 1 0 322.405 2.893 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000519555794 300458415 /nfs/dbraw/zinc/45/84/15/300458415.db2.gz RRWWTCNQEYRKKN-YGRLFVJLSA-N 1 0 321.377 2.709 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530418938 301047215 /nfs/dbraw/zinc/04/72/15/301047215.db2.gz ORXFULSQXMCKBR-HIFRSBDPSA-N 1 0 319.405 2.812 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN1CCCC1=O ZINC000531701122 301104696 /nfs/dbraw/zinc/10/46/96/301104696.db2.gz XCULGTZQVOGZNM-CHWSQXEVSA-N 1 0 305.378 2.565 20 5 DFBDRO CCC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531959252 301121004 /nfs/dbraw/zinc/12/10/04/301121004.db2.gz VYVNNALULFNMRC-RHSMWYFYSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000532025171 301125654 /nfs/dbraw/zinc/12/56/54/301125654.db2.gz RILISYUPDKOLSF-OLZOCXBDSA-N 1 0 304.346 2.690 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000532025173 301125835 /nfs/dbraw/zinc/12/58/35/301125835.db2.gz RILISYUPDKOLSF-STQMWFEESA-N 1 0 304.346 2.690 20 5 DFBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c(C[NH+](C)C)c1 ZINC000532143195 301133069 /nfs/dbraw/zinc/13/30/69/301133069.db2.gz TVNUMLDCYYQIBM-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO COC(C)(C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000533024203 301182534 /nfs/dbraw/zinc/18/25/34/301182534.db2.gz BMLFXRUJBQVQAC-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534342371 301230165 /nfs/dbraw/zinc/23/01/65/301230165.db2.gz MDURQBIJMGQYKJ-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[C@@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+](CC)CC ZINC000536043009 301267349 /nfs/dbraw/zinc/26/73/49/301267349.db2.gz CYPHGXXRXQXFOF-HNNXBMFYSA-N 1 0 319.405 2.600 20 5 DFBDRO Cc1ncc2c(n1)CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000536642899 301285029 /nfs/dbraw/zinc/28/50/29/301285029.db2.gz AFAAKVRDSOVNLS-XQRVVYSFSA-N 1 0 310.357 2.765 20 5 DFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000537824119 301312421 /nfs/dbraw/zinc/31/24/21/301312421.db2.gz YJNADQLFMLAYJT-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000538378686 301320365 /nfs/dbraw/zinc/32/03/65/301320365.db2.gz YHNWROIHXSUBHD-CZUORRHYSA-N 1 0 324.352 2.945 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000538378687 301320469 /nfs/dbraw/zinc/32/04/69/301320469.db2.gz YHNWROIHXSUBHD-XJKSGUPXSA-N 1 0 324.352 2.945 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCOC(C)(C)C ZINC000538524565 301323180 /nfs/dbraw/zinc/32/31/80/301323180.db2.gz BEXYMUVJEHCDHB-LBPRGKRZSA-N 1 0 323.393 2.717 20 5 DFBDRO Cc1noc(CCC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000539080613 301337653 /nfs/dbraw/zinc/33/76/53/301337653.db2.gz VHFFMABQLMZQGK-NSHDSACASA-N 1 0 304.350 2.878 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC1(C)C ZINC000539075461 301338081 /nfs/dbraw/zinc/33/80/81/301338081.db2.gz FWMNHWPWDDZZRZ-NEPJUHHUSA-N 1 0 305.378 2.948 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000539491565 301343477 /nfs/dbraw/zinc/34/34/77/301343477.db2.gz QODRVADSOJJCID-AWEZNQCLSA-N 1 0 307.394 2.972 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000540153361 301358731 /nfs/dbraw/zinc/35/87/31/301358731.db2.gz DBYCTGZSFKYKEV-ZDUSSCGKSA-N 1 0 307.394 2.716 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000540620083 301366496 /nfs/dbraw/zinc/36/64/96/301366496.db2.gz XXRIVDZBTZEBQX-XSHSDMCLSA-N 1 0 316.357 2.642 20 5 DFBDRO COc1cc(C[NH2+][C@@H](CO)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000541981024 301405031 /nfs/dbraw/zinc/40/50/31/301405031.db2.gz KGVQLZKHYWHEKB-AWEZNQCLSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000544384183 301449005 /nfs/dbraw/zinc/44/90/05/301449005.db2.gz GKZFVWGFGDIWAV-JTQLQIEISA-N 1 0 302.334 2.558 20 5 DFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000560483716 301898678 /nfs/dbraw/zinc/89/86/78/301898678.db2.gz HNRXMMFIMGNUBG-KOLCDFICSA-N 1 0 319.386 2.761 20 5 DFBDRO CN(CCC[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000561038377 301920508 /nfs/dbraw/zinc/92/05/08/301920508.db2.gz AHILEHJBJYOAKA-UHFFFAOYSA-N 1 0 308.382 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@]3(C2)CCC[NH2+]C3)c2ccncc21 ZINC000562832527 302007420 /nfs/dbraw/zinc/00/74/20/302007420.db2.gz SDFIYXVCXHUYKF-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO CC(C)[N@H+](CCCC(=O)N(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000563355510 302065329 /nfs/dbraw/zinc/06/53/29/302065329.db2.gz MFVSWRYODZGBAK-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@]4(C3)CCC[NH2+]C4)ccc2c1 ZINC000563662807 302090916 /nfs/dbraw/zinc/09/09/16/302090916.db2.gz FBYNXOFWGBWRIC-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000565396780 302222175 /nfs/dbraw/zinc/22/21/75/302222175.db2.gz VYZFBLLNBJDWGO-CJNGLKHVSA-N 1 0 319.405 2.641 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000566098819 302258944 /nfs/dbraw/zinc/25/89/44/302258944.db2.gz VRLCAYXADSXTQE-GXFFZTMASA-N 1 0 323.418 2.564 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000566098817 302259189 /nfs/dbraw/zinc/25/91/89/302259189.db2.gz VRLCAYXADSXTQE-GWCFXTLKSA-N 1 0 323.418 2.564 20 5 DFBDRO Cc1c(C[NH2+]C[C@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000566123186 302261622 /nfs/dbraw/zinc/26/16/22/302261622.db2.gz ATPSQVOIRFZLBD-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]2CCO[C@@H]21 ZINC000566474735 302290687 /nfs/dbraw/zinc/29/06/87/302290687.db2.gz INBGBDMHTGNRCD-XNISGKROSA-N 1 0 302.374 2.985 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000567121957 302338310 /nfs/dbraw/zinc/33/83/10/302338310.db2.gz WRDSJBJXCVVSCM-AWEZNQCLSA-N 1 0 321.377 2.710 20 5 DFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567523454 302366351 /nfs/dbraw/zinc/36/63/51/302366351.db2.gz JJUVTAFYQATTOZ-CJNGLKHVSA-N 1 0 308.378 2.768 20 5 DFBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567691221 302380132 /nfs/dbraw/zinc/38/01/32/302380132.db2.gz RZQVBELNPGQGCI-BFHYXJOUSA-N 1 0 310.394 2.749 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567879248 302395834 /nfs/dbraw/zinc/39/58/34/302395834.db2.gz OMPWULWDXFTRBF-AAEUAGOBSA-N 1 0 304.394 2.798 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](CNc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000567879250 302395936 /nfs/dbraw/zinc/39/59/36/302395936.db2.gz OMPWULWDXFTRBF-WCQYABFASA-N 1 0 304.394 2.798 20 5 DFBDRO Cc1cc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000568500210 302454459 /nfs/dbraw/zinc/45/44/59/302454459.db2.gz RQDCFRZPSKRMQT-CYBMUJFWSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(F)cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000569520948 302522847 /nfs/dbraw/zinc/52/28/47/302522847.db2.gz GXODZLSGSTWYGE-UHFFFAOYSA-N 1 0 320.320 2.911 20 5 DFBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000573488688 302707344 /nfs/dbraw/zinc/70/73/44/302707344.db2.gz BUNBSQUJIWDULX-WCQYABFASA-N 1 0 304.394 2.669 20 5 DFBDRO CCc1ccc(C(C)(C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000180095937 316026646 /nfs/dbraw/zinc/02/66/46/316026646.db2.gz IGZWIYDCIWZAFY-UHFFFAOYSA-N 1 0 302.378 2.879 20 5 DFBDRO CCC[C@H](C)C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000180399905 316032772 /nfs/dbraw/zinc/03/27/72/316032772.db2.gz BSOSQKRQLXOHHT-AWEZNQCLSA-N 1 0 319.405 2.789 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000180422241 316033710 /nfs/dbraw/zinc/03/37/10/316033710.db2.gz YJEYFJJVDSEOJJ-GFCCVEGCSA-N 1 0 321.377 2.586 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000180827054 316043820 /nfs/dbraw/zinc/04/38/20/316043820.db2.gz HNWIMRFCJKBWME-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO CCOC(=O)[C@H](CC(C)C)NCCc1ccc([N+](=O)[O-])cc1 ZINC000180974191 316048246 /nfs/dbraw/zinc/04/82/46/316048246.db2.gz REXGOKWNTLVKBY-HNNXBMFYSA-N 1 0 308.378 2.705 20 5 DFBDRO C[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000181504971 316061007 /nfs/dbraw/zinc/06/10/07/316061007.db2.gz VFZXLCAQNYOGRV-HNNXBMFYSA-N 1 0 322.405 2.847 20 5 DFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000182185015 316089008 /nfs/dbraw/zinc/08/90/08/316089008.db2.gz YVVPETCAEAMQAO-CQSZACIVSA-N 1 0 308.378 2.597 20 5 DFBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182207834 316089936 /nfs/dbraw/zinc/08/99/36/316089936.db2.gz REFDPUZOAXQQII-ILXRZTDVSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000182314302 316096273 /nfs/dbraw/zinc/09/62/73/316096273.db2.gz CAFMZWVEYIZJGL-LBPRGKRZSA-N 1 0 313.357 2.853 20 5 DFBDRO CCOC(=O)C[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000182666063 316112715 /nfs/dbraw/zinc/11/27/15/316112715.db2.gz KAZKMSFYKZHQMJ-LBPRGKRZSA-N 1 0 324.377 2.767 20 5 DFBDRO Cc1c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000183108047 316130245 /nfs/dbraw/zinc/13/02/45/316130245.db2.gz JUFJMLCILVPHNR-ZDUSSCGKSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183286336 316136319 /nfs/dbraw/zinc/13/63/19/316136319.db2.gz YSPXPRDZPFPRJB-FVQBIDKESA-N 1 0 321.421 2.807 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)C1CCCCC1 ZINC000185529167 316187584 /nfs/dbraw/zinc/18/75/84/316187584.db2.gz IOOGMXQQHRDDDU-ZIAGYGMSSA-N 1 0 321.421 2.951 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C34CCC[NH+]3CCC4)n2)s1 ZINC000351217008 316490724 /nfs/dbraw/zinc/49/07/24/316490724.db2.gz JDQPOJZWTNUYNL-UHFFFAOYSA-N 1 0 306.347 2.791 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000414565679 316631941 /nfs/dbraw/zinc/63/19/41/316631941.db2.gz FHDHTRYDBOIENY-GXTWGEPZSA-N 1 0 308.378 2.634 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414802382 316663464 /nfs/dbraw/zinc/66/34/64/316663464.db2.gz VPYXZQKMRUPHAS-AWEZNQCLSA-N 1 0 320.418 2.791 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccsc1 ZINC000449247547 317031951 /nfs/dbraw/zinc/03/19/51/317031951.db2.gz GJWJWKAPKSSMGW-BXUZGUMPSA-N 1 0 306.387 2.911 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCn3ccnc32)cc1 ZINC000453139222 317164630 /nfs/dbraw/zinc/16/46/30/317164630.db2.gz AJJBLBQJJHRJAZ-HNNXBMFYSA-N 1 0 300.362 2.849 20 5 DFBDRO CC[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453291990 317176725 /nfs/dbraw/zinc/17/67/25/317176725.db2.gz CKPILIJUVRBTNC-UMVBOHGHSA-N 1 0 310.398 2.680 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488053297 317363527 /nfs/dbraw/zinc/36/35/27/317363527.db2.gz DPTPSDZSDVUYQG-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000491531459 317580945 /nfs/dbraw/zinc/58/09/45/317580945.db2.gz HBZMWCBQNKTTDB-RMKNXTFCSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000494658013 317662428 /nfs/dbraw/zinc/66/24/28/317662428.db2.gz WCZOFEBODBXIQC-AWEZNQCLSA-N 1 0 322.386 2.667 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000570891325 317971337 /nfs/dbraw/zinc/97/13/37/317971337.db2.gz HIFANLYKKPZEPO-CYBMUJFWSA-N 1 0 307.394 2.812 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOCC2CCC2)n1 ZINC000573410644 318018658 /nfs/dbraw/zinc/01/86/58/318018658.db2.gz MKNBGHIAWDYGAU-CABCVRRESA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1sc(C(=O)Nc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000575115999 318064142 /nfs/dbraw/zinc/06/41/42/318064142.db2.gz AYORFHZVQBNELT-UHFFFAOYSA-N 1 0 317.370 2.863 20 5 DFBDRO C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000575142324 318066690 /nfs/dbraw/zinc/06/66/90/318066690.db2.gz VULAMAFBARYURP-ZDUSSCGKSA-N 1 0 321.421 2.935 20 5 DFBDRO C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000575142323 318066708 /nfs/dbraw/zinc/06/67/08/318066708.db2.gz VULAMAFBARYURP-CYBMUJFWSA-N 1 0 321.421 2.935 20 5 DFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000575230472 318071392 /nfs/dbraw/zinc/07/13/92/318071392.db2.gz DKTJMOLAJJHGQD-UHFFFAOYSA-N 1 0 308.357 2.948 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000575764700 318082451 /nfs/dbraw/zinc/08/24/51/318082451.db2.gz ORFRFGGTSVXUSU-BBRMVZONSA-N 1 0 319.405 2.639 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000575967343 318094720 /nfs/dbraw/zinc/09/47/20/318094720.db2.gz IXXGYKMXZQLRPF-ZBFHGGJFSA-N 1 0 302.374 2.904 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000575981067 318095668 /nfs/dbraw/zinc/09/56/68/318095668.db2.gz YIMUEJDLDPCDGZ-ZWNOBZJWSA-N 1 0 323.418 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000576527044 318132473 /nfs/dbraw/zinc/13/24/73/318132473.db2.gz OHQAFWXUUNYWDZ-OAHLLOKOSA-N 1 0 313.357 2.858 20 5 DFBDRO CC[N@H+](C)CCN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000577380270 318189210 /nfs/dbraw/zinc/18/92/10/318189210.db2.gz WTWFTIIRCAXTIZ-LBPRGKRZSA-N 1 0 305.300 2.740 20 5 DFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000577764486 318215900 /nfs/dbraw/zinc/21/59/00/318215900.db2.gz ICUUFGRMYKWLSL-UHFFFAOYSA-N 1 0 323.780 2.592 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000579706132 318348587 /nfs/dbraw/zinc/34/85/87/318348587.db2.gz YBRAIXJHDBKVOL-BBRMVZONSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093182 318375465 /nfs/dbraw/zinc/37/54/65/318375465.db2.gz BJGUHNOCTVISGQ-CJNGLKHVSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000194362260 323267341 /nfs/dbraw/zinc/26/73/41/323267341.db2.gz RNAYWLLCQYHTOL-INWMFGNUSA-N 1 0 308.378 2.503 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360312 323267640 /nfs/dbraw/zinc/26/76/40/323267640.db2.gz MNHJYJRFWDLVFG-KGLIPLIRSA-N 1 0 308.378 2.599 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000382418272 323297983 /nfs/dbraw/zinc/29/79/83/323297983.db2.gz IIOFRFHPYIEVKF-DTWKUNHWSA-N 1 0 314.183 2.897 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000382461266 323299444 /nfs/dbraw/zinc/29/94/44/323299444.db2.gz WDXREOJGTDRCOJ-HTQZYQBOSA-N 1 0 304.272 2.548 20 5 DFBDRO [NH3+]CC[C@@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(F)F ZINC000383379371 323304001 /nfs/dbraw/zinc/30/40/01/323304001.db2.gz LRPSYCMMRRMSCK-MRVPVSSYSA-N 1 0 324.125 2.752 20 5 DFBDRO CC[N@@H+]1CC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389250993 323334029 /nfs/dbraw/zinc/33/40/29/323334029.db2.gz GLDLJDPHFPPRRV-QMMMGPOBSA-N 1 0 304.272 2.515 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000580779091 323434458 /nfs/dbraw/zinc/43/44/58/323434458.db2.gz XHJOHWZJEOCTSU-QWHCGFSZSA-N 1 0 317.389 2.565 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3cscn3)c2c1 ZINC000581847167 323577120 /nfs/dbraw/zinc/57/71/20/323577120.db2.gz XIZPEGJYUWFRIZ-UHFFFAOYSA-N 1 0 302.359 2.865 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@@H]([NH+]3CCCC3)C1)CCCC2 ZINC000581881530 323583040 /nfs/dbraw/zinc/58/30/40/323583040.db2.gz UOWMVTRMCUBPCE-CQSZACIVSA-N 1 0 316.405 2.543 20 5 DFBDRO O=C(CC[NH2+]CC1(C(F)F)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000584465633 337346875 /nfs/dbraw/zinc/34/68/75/337346875.db2.gz SSOKNPXMYSXQOE-UHFFFAOYSA-N 1 0 313.304 2.558 20 5 DFBDRO C[NH2+]C[C@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414847858 500784071 /nfs/dbraw/zinc/78/40/71/500784071.db2.gz WGDMNPCQIWKZLK-NSHDSACASA-N 1 0 320.418 2.663 20 5 DFBDRO Cc1c(C(=O)NC2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000297324600 533778589 /nfs/dbraw/zinc/77/85/89/533778589.db2.gz ZLJKXEGVTVUFNW-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296685035 533826513 /nfs/dbraw/zinc/82/65/13/533826513.db2.gz IVFFBNQLESUJIK-HEHGZKQESA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744511 533999593 /nfs/dbraw/zinc/99/95/93/533999593.db2.gz LOFSAFOAYVWCQL-UBHSHLNASA-N 1 0 306.410 2.700 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000302078515 534246794 /nfs/dbraw/zinc/24/67/94/534246794.db2.gz IBPNFRMUTWRKFD-GFCCVEGCSA-N 1 0 321.377 2.668 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000320409399 534332195 /nfs/dbraw/zinc/33/21/95/534332195.db2.gz XFIHNCCZEHGKPL-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CCOc1cc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)ccc1[N+](=O)[O-] ZINC000365192475 520699091 /nfs/dbraw/zinc/69/90/91/520699091.db2.gz WRZWJGPQQIVMMQ-HOCLYGCPSA-N 1 0 319.405 2.520 20 5 DFBDRO CCOc1cccc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1[N+](=O)[O-] ZINC000364913973 521383518 /nfs/dbraw/zinc/38/35/18/521383518.db2.gz FFCARJMXFQRCIM-JSGCOSHPSA-N 1 0 305.378 2.524 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111420781 521603644 /nfs/dbraw/zinc/60/36/44/521603644.db2.gz QDECEUNBJDQMOS-AWEZNQCLSA-N 1 0 306.366 2.591 20 5 DFBDRO C[N@H+](CCOCC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC000338360160 522886714 /nfs/dbraw/zinc/88/67/14/522886714.db2.gz PCYRADIFLBAXRT-UHFFFAOYSA-N 1 0 306.284 2.648 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364076277 524072193 /nfs/dbraw/zinc/07/21/93/524072193.db2.gz GFZKHSKQEHAYDL-IAGOWNOFSA-N 1 0 320.389 2.898 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317333002 534811439 /nfs/dbraw/zinc/81/14/39/534811439.db2.gz XKBHLFDBVUFIRN-NWDGAFQWSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000156069124 525569194 /nfs/dbraw/zinc/56/91/94/525569194.db2.gz ITCJICIRVLEVMY-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000317351640 534882409 /nfs/dbraw/zinc/88/24/09/534882409.db2.gz YYQJTMLOQFDOBF-GHMZBOCLSA-N 1 0 306.322 2.542 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCO[C@H]1CCCCO1)CC2 ZINC000331965222 534883568 /nfs/dbraw/zinc/88/35/68/534883568.db2.gz BTJYRKLFHNAKSL-KRWDZBQOSA-N 1 0 320.389 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000365165784 527353284 /nfs/dbraw/zinc/35/32/84/527353284.db2.gz CNPCCYLJEDNQPK-CRAIPNDOSA-N 1 0 312.369 2.980 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873531 527836600 /nfs/dbraw/zinc/83/66/00/527836600.db2.gz SJDALFMOOGBSNN-HIFRSBDPSA-N 1 0 321.421 2.908 20 5 DFBDRO CCC[N@H+](CC)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000318727442 527979661 /nfs/dbraw/zinc/97/96/61/527979661.db2.gz LZWDGRVLORBUGW-UHFFFAOYSA-N 1 0 309.366 2.525 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292364948 528457666 /nfs/dbraw/zinc/45/76/66/528457666.db2.gz RQZKAJBOOYFEMN-KRWDZBQOSA-N 1 0 317.389 2.720 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318307133 528509490 /nfs/dbraw/zinc/50/94/90/528509490.db2.gz PVXIGPFJJUEFQA-VIFPVBQESA-N 1 0 320.315 2.818 20 5 DFBDRO CC1(CNc2ccc3ncccc3c2[N+](=O)[O-])CC[NH2+]CC1 ZINC000262368771 535159370 /nfs/dbraw/zinc/15/93/70/535159370.db2.gz XIHTUXXBPCRINP-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000261629819 535227008 /nfs/dbraw/zinc/22/70/08/535227008.db2.gz HMKVUMLXWAIHLW-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000174217142 535584606 /nfs/dbraw/zinc/58/46/06/535584606.db2.gz WXMDBGHHYUVFAV-ZDUSSCGKSA-N 1 0 309.385 2.898 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174310760 535679244 /nfs/dbraw/zinc/67/92/44/535679244.db2.gz BNQZXGJMZXRDBG-INIZCTEOSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000278303696 214078867 /nfs/dbraw/zinc/07/88/67/214078867.db2.gz IYVIALSYSBCOCD-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000278236237 214039641 /nfs/dbraw/zinc/03/96/41/214039641.db2.gz NIQFOJOCCRPABC-UHFFFAOYSA-N 1 0 323.349 2.892 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000357322425 282181519 /nfs/dbraw/zinc/18/15/19/282181519.db2.gz HSQBWLMEQZWIOI-LBPRGKRZSA-N 1 0 315.320 2.948 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635994 398364274 /nfs/dbraw/zinc/36/42/74/398364274.db2.gz QLLBSJCAWUZWNO-OAHLLOKOSA-N 1 0 303.406 2.759 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000007365414 398361281 /nfs/dbraw/zinc/36/12/81/398361281.db2.gz NYQXFBCFXBAAFY-UHFFFAOYSA-N 1 0 318.764 2.970 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1NC[C@@H]1CCC[NH2+]C1 ZINC000087834826 185232789 /nfs/dbraw/zinc/23/27/89/185232789.db2.gz OLPOJMPDRHAVMM-SECBINFHSA-N 1 0 314.183 2.769 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCNC(=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000295037172 529614882 /nfs/dbraw/zinc/61/48/82/529614882.db2.gz SJSRRCHJKFBNHQ-WFASDCNBSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177676 185285129 /nfs/dbraw/zinc/28/51/29/185285129.db2.gz QVQDUJSQRKDHNB-OCCSQVGLSA-N 1 0 319.405 2.953 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCNC(=O)C2CCC2)cccc1[N+](=O)[O-] ZINC000090184262 185286154 /nfs/dbraw/zinc/28/61/54/185286154.db2.gz PLMSLAWVRYSOHZ-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539176 185301656 /nfs/dbraw/zinc/30/16/56/185301656.db2.gz JTAWVRWLUROLNQ-HNNXBMFYSA-N 1 0 316.361 2.603 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166495228 197694381 /nfs/dbraw/zinc/69/43/81/197694381.db2.gz KATSUYNSRRQHSZ-APHBMKBZSA-N 1 0 308.378 2.830 20 5 DFBDRO Cc1cccc(C2=CC[N@H+](CCn3cc([N+](=O)[O-])cn3)CC2)c1 ZINC000092821776 185344115 /nfs/dbraw/zinc/34/41/15/185344115.db2.gz KFDWZSZRPRIVRO-UHFFFAOYSA-N 1 0 312.373 2.889 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CCO)c1ccccc1F ZINC000592161954 398394980 /nfs/dbraw/zinc/39/49/80/398394980.db2.gz TXCSXMUHAKHDRD-HNNXBMFYSA-N 1 0 320.320 2.653 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)[C@@H]1SC ZINC000592169274 398396717 /nfs/dbraw/zinc/39/67/17/398396717.db2.gz QDKHUQQJWPFCNC-FOGDFJRCSA-N 1 0 302.421 2.655 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1SC ZINC000592167562 398395790 /nfs/dbraw/zinc/39/57/90/398395790.db2.gz FEAAGVLHRNBMND-BNOWGMLFSA-N 1 0 314.382 2.733 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000592183636 398398909 /nfs/dbraw/zinc/39/89/09/398398909.db2.gz VBKPVJVKEBHYNU-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1cnccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000066808724 398400315 /nfs/dbraw/zinc/40/03/15/398400315.db2.gz LOXDVLQUCIVNEW-UHFFFAOYSA-N 1 0 322.434 2.763 20 5 DFBDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279210954 214707085 /nfs/dbraw/zinc/70/70/85/214707085.db2.gz YDNCATHEFPPQMP-IAQYHMDHSA-N 1 0 315.377 2.587 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181550238 199316067 /nfs/dbraw/zinc/31/60/67/199316067.db2.gz VHZQOMUTXQZQGJ-XJKSGUPXSA-N 1 0 319.405 2.894 20 5 DFBDRO COC[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000272805830 210206130 /nfs/dbraw/zinc/20/61/30/210206130.db2.gz FRECXIDYRSBVTG-GFCCVEGCSA-N 1 0 305.334 2.525 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000018060610 398405574 /nfs/dbraw/zinc/40/55/74/398405574.db2.gz QIOUQWMOHLVSLK-UHFFFAOYSA-N 1 0 308.338 2.791 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254083 398408304 /nfs/dbraw/zinc/40/83/04/398408304.db2.gz SSXQTXXPWPAHEH-NEPJUHHUSA-N 1 0 323.418 2.508 20 5 DFBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1OC(F)F)[NH+](C)C ZINC000596428083 398409562 /nfs/dbraw/zinc/40/95/62/398409562.db2.gz DTQPXVYJBZOLSE-SECBINFHSA-N 1 0 303.309 2.948 20 5 DFBDRO Cc1cc(N2CCC[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272782959 210187582 /nfs/dbraw/zinc/18/75/82/210187582.db2.gz AUDGKDAWGWKOEE-GFCCVEGCSA-N 1 0 301.346 2.660 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000085633807 398416233 /nfs/dbraw/zinc/41/62/33/398416233.db2.gz BCPLCUFSCBWPAX-NSHDSACASA-N 1 0 308.382 2.673 20 5 DFBDRO CN(CC1C[NH+](C)C1)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000596454770 398416311 /nfs/dbraw/zinc/41/63/11/398416311.db2.gz UTZLLWRJPJGRNM-UHFFFAOYSA-N 1 0 303.284 2.611 20 5 DFBDRO C[C@@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592333767 398413472 /nfs/dbraw/zinc/41/34/72/398413472.db2.gz NZGZMWQWLLVTMO-SNVBAGLBSA-N 1 0 323.418 2.707 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592356699 398415001 /nfs/dbraw/zinc/41/50/01/398415001.db2.gz FVAOLMHZVOMDBP-MALLOTDXSA-N 1 0 304.281 2.712 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592357050 398415610 /nfs/dbraw/zinc/41/56/10/398415610.db2.gz QLILZZVMYDIUSU-WTNCMQEWSA-N 1 0 300.318 2.963 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000085633810 398416064 /nfs/dbraw/zinc/41/60/64/398416064.db2.gz BCPLCUFSCBWPAX-LLVKDONJSA-N 1 0 308.382 2.673 20 5 DFBDRO CCC[C@H]([NH2+]CCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000592393605 398420176 /nfs/dbraw/zinc/42/01/76/398420176.db2.gz IMCHQCYKBOCDCD-HNNXBMFYSA-N 1 0 317.393 2.787 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@@H]3C[C@@H]3C1)OCCO2 ZINC000592379195 398418885 /nfs/dbraw/zinc/41/88/85/398418885.db2.gz JPRYMJLQIUCEDH-NQBHXWOUSA-N 1 0 304.346 2.644 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000592422290 398424517 /nfs/dbraw/zinc/42/45/17/398424517.db2.gz KMJCFMGXYOPXQO-CQSZACIVSA-N 1 0 318.377 2.699 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596481071 398425115 /nfs/dbraw/zinc/42/51/15/398425115.db2.gz WZYWBBFBJAEPBI-CYBMUJFWSA-N 1 0 321.425 2.939 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c(F)c1 ZINC000596479179 398425250 /nfs/dbraw/zinc/42/52/50/398425250.db2.gz LVLFBPDWPKXGFU-LLVKDONJSA-N 1 0 308.357 2.948 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592438917 398426173 /nfs/dbraw/zinc/42/61/73/398426173.db2.gz UYVOCMDQJHUMDX-QGZVFWFLSA-N 1 0 315.348 2.792 20 5 DFBDRO CC[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397477 398421235 /nfs/dbraw/zinc/42/12/35/398421235.db2.gz MCAVOICHIUYSCP-RDJZCZTQSA-N 1 0 322.405 2.813 20 5 DFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000299141889 529903348 /nfs/dbraw/zinc/90/33/48/529903348.db2.gz HUSRTWYOXAUMDH-UHFFFAOYSA-N 1 0 319.405 2.931 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN(C1CC1)C1CC[NH2+]CC1 ZINC000592471359 398431128 /nfs/dbraw/zinc/43/11/28/398431128.db2.gz YEUQPTHBBUDIEZ-UHFFFAOYSA-N 1 0 309.797 2.965 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]CC1(C)C ZINC000592473632 398431217 /nfs/dbraw/zinc/43/12/17/398431217.db2.gz KHTRKOACTFCRBH-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO CC(C)CC[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377652 398431831 /nfs/dbraw/zinc/43/18/31/398431831.db2.gz QGROACNIUCVUGC-OAHLLOKOSA-N 1 0 305.378 2.678 20 5 DFBDRO O=C1[C@H]([NH+]2CCCCCC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000067374391 398432203 /nfs/dbraw/zinc/43/22/03/398432203.db2.gz YWBQWLXRYQCQGG-OAHLLOKOSA-N 1 0 303.362 2.576 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000592501327 398435498 /nfs/dbraw/zinc/43/54/98/398435498.db2.gz IWOABDDLWKDTFB-HOCLYGCPSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000592567207 398446128 /nfs/dbraw/zinc/44/61/28/398446128.db2.gz AMGIVPHGQMJMPI-CYBMUJFWSA-N 1 0 317.389 2.616 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)C1CC1 ZINC000268878362 398445856 /nfs/dbraw/zinc/44/58/56/398445856.db2.gz HLJMPQFBXWDYLA-ANQUJSFKSA-N 1 0 302.374 2.825 20 5 DFBDRO C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1=CC[N@H+](C)CC1 ZINC000286720140 219129086 /nfs/dbraw/zinc/12/90/86/219129086.db2.gz DZGWAWHMVMDNDR-SECBINFHSA-N 1 0 319.390 2.662 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1O ZINC000271487340 398448252 /nfs/dbraw/zinc/44/82/52/398448252.db2.gz LHCOYHDMNYVPJF-DYEKYZERSA-N 1 0 310.419 2.969 20 5 DFBDRO Cc1cnc(NCC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000596561704 398447997 /nfs/dbraw/zinc/44/79/97/398447997.db2.gz FPRQNBYDZKGPQP-UHFFFAOYSA-N 1 0 304.394 2.832 20 5 DFBDRO Cc1ccnc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570376 398450116 /nfs/dbraw/zinc/45/01/16/398450116.db2.gz JCRXJMLMBAHEJH-AWEZNQCLSA-N 1 0 304.394 2.832 20 5 DFBDRO CC[NH+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000459458834 299111104 /nfs/dbraw/zinc/11/11/04/299111104.db2.gz JRJQKNGTNZDCCS-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000026478509 398454521 /nfs/dbraw/zinc/45/45/21/398454521.db2.gz LTUCECYJGOTXDH-IIAWOOMASA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000026711214 398455474 /nfs/dbraw/zinc/45/54/74/398455474.db2.gz PMKTYXRLJRIXGL-CJNGLKHVSA-N 1 0 316.357 2.685 20 5 DFBDRO Cn1ncc2c1CC(C)(C)CN(Cc1csc([N+](=O)[O-])c1)C2 ZINC000596598937 398457212 /nfs/dbraw/zinc/45/72/12/398457212.db2.gz OLPMDSIDYXJFLL-UHFFFAOYSA-N 1 0 320.418 2.974 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000050989351 282394802 /nfs/dbraw/zinc/39/48/02/282394802.db2.gz RIUMXTHPAWTKHP-UHFFFAOYSA-N 1 0 317.389 2.962 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068135560 398481835 /nfs/dbraw/zinc/48/18/35/398481835.db2.gz GGAKDOPRARYGKA-GFCCVEGCSA-N 1 0 323.418 2.747 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@H]2CCCC[C@H]12 ZINC000090517121 398488590 /nfs/dbraw/zinc/48/85/90/398488590.db2.gz MAUTWAZFQMCCLK-BMFZPTHFSA-N 1 0 319.405 2.657 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000588231725 398490623 /nfs/dbraw/zinc/49/06/23/398490623.db2.gz YDTJOUKRTJHRCD-NTZNESFSSA-N 1 0 309.341 2.792 20 5 DFBDRO CCC[C@H]([NH2+]CC1(CO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090660402 398491221 /nfs/dbraw/zinc/49/12/21/398491221.db2.gz LYUZVWCPVKATST-INIZCTEOSA-N 1 0 322.405 2.815 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[N@H+](C)C1 ZINC000592830911 398491840 /nfs/dbraw/zinc/49/18/40/398491840.db2.gz HUJZTNIEANFALA-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO CCCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000029926438 398494219 /nfs/dbraw/zinc/49/42/19/398494219.db2.gz HDTYCGYWYSEWDJ-UHFFFAOYSA-N 1 0 319.405 2.723 20 5 DFBDRO CCC([NH3+])(CC)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000232992563 201898913 /nfs/dbraw/zinc/89/89/13/201898913.db2.gz OBWOIEBHWQRIMN-UHFFFAOYSA-N 1 0 306.288 2.938 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000068443239 398504031 /nfs/dbraw/zinc/50/40/31/398504031.db2.gz WDGZRWUMWBBTDL-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cccc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000068365274 190763323 /nfs/dbraw/zinc/76/33/23/190763323.db2.gz BHUGVSWBHFHCAE-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689105 210096348 /nfs/dbraw/zinc/09/63/48/210096348.db2.gz WUGCVZDNJVIHEU-UXILZDJPSA-N 1 0 301.390 2.634 20 5 DFBDRO CC(C)[C@@H]([NH3+])c1cn(Cc2ccc([N+](=O)[O-])cc2Cl)nn1 ZINC000313362506 398515767 /nfs/dbraw/zinc/51/57/67/398515767.db2.gz QJSQYWQSLTWZRD-CYBMUJFWSA-N 1 0 309.757 2.544 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596865309 398517895 /nfs/dbraw/zinc/51/78/95/398517895.db2.gz DSYRCZSEFVRXQK-GFCCVEGCSA-N 1 0 308.382 2.673 20 5 DFBDRO C[NH+](C)CC(C)(C)NCc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000459552286 299131338 /nfs/dbraw/zinc/13/13/38/299131338.db2.gz VEBKVWVIDLURTA-UHFFFAOYSA-N 1 0 318.377 2.680 20 5 DFBDRO Cc1cncc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000593022087 398522815 /nfs/dbraw/zinc/52/28/15/398522815.db2.gz DRZGCMIYYLCAQM-UHFFFAOYSA-N 1 0 312.373 2.900 20 5 DFBDRO C[NH+](C)[C@@H](CNc1c(Cl)cncc1[N+](=O)[O-])c1ccccc1 ZINC000589103239 398526743 /nfs/dbraw/zinc/52/67/43/398526743.db2.gz UKUNPEFLXSUDTO-ZDUSSCGKSA-N 1 0 320.780 2.780 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199828 398536703 /nfs/dbraw/zinc/53/67/03/398536703.db2.gz OJIGNIJTVRRYCK-ZDTYVGOBSA-N 1 0 312.373 2.831 20 5 DFBDRO COCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000068911170 398537087 /nfs/dbraw/zinc/53/70/87/398537087.db2.gz SCQFUGQMNRDXAI-GFCCVEGCSA-N 1 0 313.785 2.771 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000032731441 398537515 /nfs/dbraw/zinc/53/75/15/398537515.db2.gz MWNHNTOWHYGXHU-OLZOCXBDSA-N 1 0 305.378 2.588 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000068905715 398537578 /nfs/dbraw/zinc/53/75/78/398537578.db2.gz XFQITWHIMDKYKQ-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000032731296 398537681 /nfs/dbraw/zinc/53/76/81/398537681.db2.gz VPVZABMHIBSDKG-STQMWFEESA-N 1 0 305.378 2.588 20 5 DFBDRO CCc1nn(C)c(NC[C@@H]2CCCC[N@@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000091670627 398539059 /nfs/dbraw/zinc/53/90/59/398539059.db2.gz BEVQPDMNLPARLO-ZDUSSCGKSA-N 1 0 323.441 2.813 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000320191198 398546301 /nfs/dbraw/zinc/54/63/01/398546301.db2.gz AGOYVXPSBUDURK-SFYZADRCSA-N 1 0 302.172 2.895 20 5 DFBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000593107740 398547778 /nfs/dbraw/zinc/54/77/78/398547778.db2.gz HYOQRLGLWYNGGW-SECBINFHSA-N 1 0 317.183 2.560 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CS1 ZINC000414222852 295778963 /nfs/dbraw/zinc/77/89/63/295778963.db2.gz FXOLFGDXMFLCTG-YVECIDJPSA-N 1 0 310.423 2.759 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414222068 295778981 /nfs/dbraw/zinc/77/89/81/295778981.db2.gz DYMYEXNXRAOIRH-MDZLAQPJSA-N 1 0 323.418 2.796 20 5 DFBDRO O=C(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1 ZINC000321180846 398552026 /nfs/dbraw/zinc/55/20/26/398552026.db2.gz STRQIJIZZZEYSY-UHFFFAOYSA-N 1 0 317.320 2.505 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321591126 398553773 /nfs/dbraw/zinc/55/37/73/398553773.db2.gz JEZPBBQCCMYOMH-GJZGRUSLSA-N 1 0 318.377 2.733 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322087881 398555778 /nfs/dbraw/zinc/55/57/78/398555778.db2.gz JCNUWOFPKJNHFR-KBPBESRZSA-N 1 0 317.389 2.507 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1c3ccccc3ncc1[N+](=O)[O-])C2 ZINC000324101555 398562165 /nfs/dbraw/zinc/56/21/65/398562165.db2.gz COOMJGRAJMFNPB-SJCJKPOMSA-N 1 0 312.373 2.708 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597075709 398561072 /nfs/dbraw/zinc/56/10/72/398561072.db2.gz KOECNLGZLKSAHH-HIFRSBDPSA-N 1 0 310.781 2.948 20 5 DFBDRO 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 398567885 /nfs/dbraw/zinc/56/78/85/398567885.db2.gz JPTXTZBYFOQJTA-RQJABVFESA-N 1 0 319.405 2.638 20 5 DFBDRO C[C@]1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCC[NH2+]C1 ZINC000593229392 398576268 /nfs/dbraw/zinc/57/62/68/398576268.db2.gz MAXRSJILDIYGGB-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000593233549 398576754 /nfs/dbraw/zinc/57/67/54/398576754.db2.gz SFESIYMOLIYSAO-VBQJREDUSA-N 1 0 319.405 2.626 20 5 DFBDRO CC[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000593250401 398580969 /nfs/dbraw/zinc/58/09/69/398580969.db2.gz MCTDLXYSYZOMDG-UHFFFAOYSA-N 1 0 323.393 2.962 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000589939091 398584108 /nfs/dbraw/zinc/58/41/08/398584108.db2.gz OUZBJOAEJSZARB-PWSUYJOCSA-N 1 0 304.268 2.530 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)c(F)c1 ZINC000589938948 398584302 /nfs/dbraw/zinc/58/43/02/398584302.db2.gz GJJUMQVKXBEYHX-SKDRFNHKSA-N 1 0 322.258 2.669 20 5 DFBDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287063476 219292262 /nfs/dbraw/zinc/29/22/62/219292262.db2.gz JUHWWDQABWQQCI-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092649974 398588921 /nfs/dbraw/zinc/58/89/21/398588921.db2.gz IEIOPTZHUYOVNQ-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000092612794 398587504 /nfs/dbraw/zinc/58/75/04/398587504.db2.gz BCMOCVFQHSDFHM-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO COC1CC[NH+](CCNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000590083315 398594398 /nfs/dbraw/zinc/59/43/98/398594398.db2.gz SOLLNVDNOCGDTK-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000590083849 398594484 /nfs/dbraw/zinc/59/44/84/398594484.db2.gz XGNHMBDXJWYSAX-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC1(C)CC(NC(=O)c2csc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000042566149 398595191 /nfs/dbraw/zinc/59/51/91/398595191.db2.gz UIAPJQWQMZDAII-UHFFFAOYSA-N 1 0 311.407 2.695 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000597234972 398599843 /nfs/dbraw/zinc/59/98/43/398599843.db2.gz BDDVJHSJHKMGQQ-HOCLYGCPSA-N 1 0 306.362 2.806 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043149327 398614508 /nfs/dbraw/zinc/61/45/08/398614508.db2.gz OCNSCGFYDKFQPE-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000043149488 398614667 /nfs/dbraw/zinc/61/46/67/398614667.db2.gz FZVIJKCGQHWQPH-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000043347037 398619799 /nfs/dbraw/zinc/61/97/99/398619799.db2.gz GKDRHTFCOVGJRB-NSHDSACASA-N 1 0 308.382 2.755 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1=CCCOC1)C1CC1 ZINC000287111049 219321160 /nfs/dbraw/zinc/32/11/60/219321160.db2.gz QMWPQJXLGIVUEI-INIZCTEOSA-N 1 0 302.374 2.852 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150749970 186062897 /nfs/dbraw/zinc/06/28/97/186062897.db2.gz OTRUZOKMSUURPC-CYBMUJFWSA-N 1 0 307.369 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2cnn(CC[NH+]3CCCCC3)c2)cc1 ZINC000072626172 398625969 /nfs/dbraw/zinc/62/59/69/398625969.db2.gz ITHOPRLPQXALLF-UHFFFAOYSA-N 1 0 300.362 2.944 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698065 398630296 /nfs/dbraw/zinc/63/02/96/398630296.db2.gz MKPNKHQLDIXPLN-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697579 398630404 /nfs/dbraw/zinc/63/04/04/398630404.db2.gz IYIUWXWDHTUKBH-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000590566861 398631945 /nfs/dbraw/zinc/63/19/45/398631945.db2.gz QOAASFFRQLSRHQ-ZIAGYGMSSA-N 1 0 319.405 2.685 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000593458451 398634894 /nfs/dbraw/zinc/63/48/94/398634894.db2.gz QLRWEWNOHWGQRH-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000593468374 398638572 /nfs/dbraw/zinc/63/85/72/398638572.db2.gz FKKKSSAMBQXFNB-SJCJKPOMSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1C ZINC000593470106 398639264 /nfs/dbraw/zinc/63/92/64/398639264.db2.gz PSHYZJPFOZZWDX-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2csc([N+](=O)[O-])c2)CCCCC1 ZINC000044307765 398640020 /nfs/dbraw/zinc/64/00/20/398640020.db2.gz WYVCHXGYQBWATR-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CC[C@@H]1C ZINC000179683534 186204983 /nfs/dbraw/zinc/20/49/83/186204983.db2.gz QWDUNKJEOMBGCC-RYUDHWBXSA-N 1 0 306.362 2.939 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072873615 398644092 /nfs/dbraw/zinc/64/40/92/398644092.db2.gz ZVQAALZLPODHQC-TUAOUCFPSA-N 1 0 321.377 2.518 20 5 DFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051063048 425882465 /nfs/dbraw/zinc/88/24/65/425882465.db2.gz JZTUQQYLHQCHHG-HNNXBMFYSA-N 1 0 319.405 2.723 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191863250 186266601 /nfs/dbraw/zinc/26/66/01/186266601.db2.gz ICGVWRWEXRKPRT-IUODEOHRSA-N 1 0 308.378 2.503 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000459726521 299173806 /nfs/dbraw/zinc/17/38/06/299173806.db2.gz XUFFDXGJMYGCFM-AWEZNQCLSA-N 1 0 308.378 2.865 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(CNC[C@@H]3CCC[NH2+]3)cs2)c1 ZINC000414843618 295825197 /nfs/dbraw/zinc/82/51/97/295825197.db2.gz JUKXGQINLYWLQQ-LBPRGKRZSA-N 1 0 318.402 2.560 20 5 DFBDRO C[NH2+]C[C@@H](C)CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414847855 295825806 /nfs/dbraw/zinc/82/58/06/295825806.db2.gz WGDMNPCQIWKZLK-LLVKDONJSA-N 1 0 320.418 2.663 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccsc1)[NH+](C)C ZINC000280065211 215350871 /nfs/dbraw/zinc/35/08/71/215350871.db2.gz PDUNXAXCUGKBOQ-LBPRGKRZSA-N 1 0 323.422 2.896 20 5 DFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000045069506 398661686 /nfs/dbraw/zinc/66/16/86/398661686.db2.gz ISVSWWKAQSYFAC-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO CCC[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414865452 295828003 /nfs/dbraw/zinc/82/80/03/295828003.db2.gz FJRHNRLVQZFJFN-UHFFFAOYSA-N 1 0 303.362 2.944 20 5 DFBDRO CCOc1cc(CN2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277205521 213366378 /nfs/dbraw/zinc/36/63/78/213366378.db2.gz MVAYFKIQOUFBKP-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC13CCCC3)OCCO2 ZINC000593645088 398664877 /nfs/dbraw/zinc/66/48/77/398664877.db2.gz JOZKFYFCPUNCEY-UHFFFAOYSA-N 1 0 304.346 2.885 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)cs1 ZINC000593652353 398666093 /nfs/dbraw/zinc/66/60/93/398666093.db2.gz DPSPQGDCICZMLN-MRXNPFEDSA-N 1 0 318.398 2.622 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172495507 198105882 /nfs/dbraw/zinc/10/58/82/198105882.db2.gz BIYUISGLQLTMDS-ZDUSSCGKSA-N 1 0 323.418 2.747 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593667987 398667877 /nfs/dbraw/zinc/66/78/77/398667877.db2.gz ADJFVTFTKDOGQM-KRWDZBQOSA-N 1 0 320.389 2.898 20 5 DFBDRO CC1(C)CCC[NH2+][C@@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414920886 295835351 /nfs/dbraw/zinc/83/53/51/295835351.db2.gz AKMFVMURPXJJJX-CDVVCGDMSA-N 1 0 303.406 2.976 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459773803 299188929 /nfs/dbraw/zinc/18/89/29/299188929.db2.gz TUUAHFOOVTWGEG-LSDHHAIUSA-N 1 0 306.362 2.651 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1C[NH2+]CCC1(F)F ZINC000414998363 295845537 /nfs/dbraw/zinc/84/55/37/295845537.db2.gz IUMUEVBEEPYMMA-FZMZJTMJSA-N 1 0 313.348 2.503 20 5 DFBDRO CCc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174159656 198299730 /nfs/dbraw/zinc/29/97/30/198299730.db2.gz OLMHUARZTXQEBG-UHFFFAOYSA-N 1 0 319.405 2.619 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859905 398705969 /nfs/dbraw/zinc/70/59/69/398705969.db2.gz ZZAIUJSQQBLWIV-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859904 398706156 /nfs/dbraw/zinc/70/61/56/398706156.db2.gz ZZAIUJSQQBLWIV-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000597857598 398705528 /nfs/dbraw/zinc/70/55/28/398705528.db2.gz GIENHMFJFWHLKH-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000174882908 198397261 /nfs/dbraw/zinc/39/72/61/198397261.db2.gz MHBNXWDXXGTIJZ-JSGCOSHPSA-N 1 0 304.350 2.858 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924458 398722298 /nfs/dbraw/zinc/72/22/98/398722298.db2.gz RYXOGUBGSBEPSJ-ZDUSSCGKSA-N 1 0 319.405 2.814 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415490359 295887395 /nfs/dbraw/zinc/88/73/95/295887395.db2.gz YDSRKSVZAJTAQS-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415490449 295887458 /nfs/dbraw/zinc/88/74/58/295887458.db2.gz YPBIYGAGSATAGR-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415579805 295891995 /nfs/dbraw/zinc/89/19/95/295891995.db2.gz KQMISCKVDNCNLZ-ZWNOBZJWSA-N 1 0 320.393 2.660 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCC1CCOCC1)CC2 ZINC000332497695 235035388 /nfs/dbraw/zinc/03/53/88/235035388.db2.gz ZJJFFCZNIYTCES-UHFFFAOYSA-N 1 0 305.378 2.555 20 5 DFBDRO COC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112986144 398737421 /nfs/dbraw/zinc/73/74/21/398737421.db2.gz MJWJTZMHFQPEOP-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCC3)C1)OCCO2 ZINC000591267713 398743668 /nfs/dbraw/zinc/74/36/68/398743668.db2.gz DQLUAPNPDHMUBI-ZDUSSCGKSA-N 1 0 318.373 2.988 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[NH2+]C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000591433963 398759613 /nfs/dbraw/zinc/75/96/13/398759613.db2.gz YOLAUNJVFWZFEI-NEPJUHHUSA-N 1 0 300.362 2.638 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591434932 398760271 /nfs/dbraw/zinc/76/02/71/398760271.db2.gz NDMFIMJBRNFWJH-YUTCNCBUSA-N 1 0 312.373 2.625 20 5 DFBDRO CC1([NH3+])CCN(c2ccc(Br)cc2[N+](=O)[O-])CC1 ZINC000591435752 398760332 /nfs/dbraw/zinc/76/03/32/398760332.db2.gz VDYZWTLMLLTOBU-UHFFFAOYSA-N 1 0 314.183 2.675 20 5 DFBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591439042 398760861 /nfs/dbraw/zinc/76/08/61/398760861.db2.gz REWDACAZWUVBHU-GXTWGEPZSA-N 1 0 312.373 2.640 20 5 DFBDRO CC[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591439838 398760873 /nfs/dbraw/zinc/76/08/73/398760873.db2.gz YQOANRDINTXWRX-SMDDNHRTSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591439836 398761044 /nfs/dbraw/zinc/76/10/44/398761044.db2.gz YQOANRDINTXWRX-FZMZJTMJSA-N 1 0 300.362 2.707 20 5 DFBDRO COc1cccc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591443165 398761938 /nfs/dbraw/zinc/76/19/38/398761938.db2.gz XKUUAKDFPKNVCS-ZIAGYGMSSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074726043 398762318 /nfs/dbraw/zinc/76/23/18/398762318.db2.gz GOSGMOBINKFZBU-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO COc1cc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591443328 398762394 /nfs/dbraw/zinc/76/23/94/398762394.db2.gz ZPOSKDWVYNZMKI-KBPBESRZSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202783 398764793 /nfs/dbraw/zinc/76/47/93/398764793.db2.gz RTGGECFYJDPIGS-UONOGXRCSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc([N+](=O)[O-])c1 ZINC000594203896 398764932 /nfs/dbraw/zinc/76/49/32/398764932.db2.gz VIWAJNDHEAQGRD-CVEARBPZSA-N 1 0 317.389 2.650 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+]1CCCC1 ZINC000416111327 295921901 /nfs/dbraw/zinc/92/19/01/295921901.db2.gz VEXIVVBQPMCCAL-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]CCNC1CC1 ZINC000591577314 398773086 /nfs/dbraw/zinc/77/30/86/398773086.db2.gz OUPVVBNTVHUDFE-XJKSGUPXSA-N 1 0 303.406 2.648 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC[NH2+]CC1 ZINC000236835314 202031628 /nfs/dbraw/zinc/03/16/28/202031628.db2.gz MLQOATVPTYCVDQ-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@H]1C1CCC1)OCCO2 ZINC000591640187 398778766 /nfs/dbraw/zinc/77/87/66/398778766.db2.gz MKAPZJWHYVJMBT-QWHCGFSZSA-N 1 0 304.346 2.644 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000591678092 398780134 /nfs/dbraw/zinc/78/01/34/398780134.db2.gz IIZDWHKNNGLWBF-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000591680730 398780180 /nfs/dbraw/zinc/78/01/80/398780180.db2.gz CHCZRQNVWNIXPU-UHFFFAOYSA-N 1 0 317.389 2.568 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])c1 ZINC000591676576 398780269 /nfs/dbraw/zinc/78/02/69/398780269.db2.gz YCTCTTOENFMXTP-IINYFYTJSA-N 1 0 323.418 2.516 20 5 DFBDRO O=C(CC[NH2+][C@H]1CCC(F)(F)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591754735 398783970 /nfs/dbraw/zinc/78/39/70/398783970.db2.gz SUPVJMXTHPKTNS-JTQLQIEISA-N 1 0 313.304 2.701 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000276942869 213192634 /nfs/dbraw/zinc/19/26/34/213192634.db2.gz SOQKGFLQNMYGHW-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000594389182 398790739 /nfs/dbraw/zinc/79/07/39/398790739.db2.gz GMEWEKCVAZSXLV-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](C)c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000276934737 213186131 /nfs/dbraw/zinc/18/61/31/213186131.db2.gz RMZQJSXUUHSAIM-LLVKDONJSA-N 1 0 304.350 2.578 20 5 DFBDRO CC(C)OC(=O)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135235793 283211896 /nfs/dbraw/zinc/21/18/96/283211896.db2.gz UBAWOQCRSYZCIU-UHFFFAOYSA-N 1 0 306.362 2.901 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276899266 213162909 /nfs/dbraw/zinc/16/29/09/213162909.db2.gz LOEMZNZSRIISAS-UKRRQHHQSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000276834386 213122123 /nfs/dbraw/zinc/12/21/23/213122123.db2.gz BKAWUWUTAMTREW-OAHLLOKOSA-N 1 0 316.357 2.817 20 5 DFBDRO C[N@H+](CCC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000150955795 283272042 /nfs/dbraw/zinc/27/20/42/283272042.db2.gz YTMMIFNPFDEIEZ-UHFFFAOYSA-N 1 0 308.378 2.801 20 5 DFBDRO CC(=O)NCC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075647576 398815656 /nfs/dbraw/zinc/81/56/56/398815656.db2.gz WAGJFDIUIJIFLT-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(n2cncn2)CC1 ZINC000075678769 398816968 /nfs/dbraw/zinc/81/69/68/398816968.db2.gz VADYXPXOPDIKSY-LBPRGKRZSA-N 1 0 301.350 2.584 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549452 398819210 /nfs/dbraw/zinc/81/92/10/398819210.db2.gz XGNBWBFXHBLIIP-CYBMUJFWSA-N 1 0 322.409 2.744 20 5 DFBDRO COCCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075747328 398821011 /nfs/dbraw/zinc/82/10/11/398821011.db2.gz APKVUWWSJOGRQG-ZDUSSCGKSA-N 1 0 308.378 2.783 20 5 DFBDRO CC(C)(CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000276718061 213064723 /nfs/dbraw/zinc/06/47/23/213064723.db2.gz LCPFILDETPFMJS-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO CCCNC(=O)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000179919177 199094411 /nfs/dbraw/zinc/09/44/11/199094411.db2.gz OCJLRBBSILRLTJ-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594604441 398829896 /nfs/dbraw/zinc/82/98/96/398829896.db2.gz ZFCPAYGKPDXRDW-OLZOCXBDSA-N 1 0 307.398 2.548 20 5 DFBDRO COC(=O)c1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000594608066 398830879 /nfs/dbraw/zinc/83/08/79/398830879.db2.gz HSZIQDYFURTYLW-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C)C1CC1 ZINC000129996541 398841244 /nfs/dbraw/zinc/84/12/44/398841244.db2.gz SHMSDSILECQIKT-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594692998 398843242 /nfs/dbraw/zinc/84/32/42/398843242.db2.gz HLDCVFAPVUQKGI-LBPRGKRZSA-N 1 0 324.812 2.859 20 5 DFBDRO C[C@]1(O)CC[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000180193193 199128906 /nfs/dbraw/zinc/12/89/06/199128906.db2.gz XDFMGNYDVUSPOU-INIZCTEOSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1nc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000594695213 398843772 /nfs/dbraw/zinc/84/37/72/398843772.db2.gz ACFCPFJCLGACPT-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO CCOc1cncc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000598638520 398845432 /nfs/dbraw/zinc/84/54/32/398845432.db2.gz MREGVCOUGFAELS-UHFFFAOYSA-N 1 0 301.346 2.721 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668497 398850934 /nfs/dbraw/zinc/85/09/34/398850934.db2.gz VLJHYOJGMHFMLR-GUYCJALGSA-N 1 0 317.389 2.672 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CC2(F)F)n1 ZINC000598679376 398854229 /nfs/dbraw/zinc/85/42/29/398854229.db2.gz HSANOELTMUZADU-IJLUTSLNSA-N 1 0 314.336 2.910 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598678388 398854486 /nfs/dbraw/zinc/85/44/86/398854486.db2.gz XDZPKHYTUMYJCZ-XLQKBUROSA-N 1 0 304.390 2.948 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000598683884 398855009 /nfs/dbraw/zinc/85/50/09/398855009.db2.gz UFPHQNWZCZDFBY-PBHICJAKSA-N 1 0 319.405 2.695 20 5 DFBDRO Cc1c(C[NH2+]Cc2ccnn2CC2CC2)cccc1[N+](=O)[O-] ZINC000594941308 398877938 /nfs/dbraw/zinc/87/79/38/398877938.db2.gz YULAIDQIFQAIDQ-UHFFFAOYSA-N 1 0 300.362 2.800 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnn3c2CCC3)cc1[N+](=O)[O-] ZINC000594935834 398876265 /nfs/dbraw/zinc/87/62/65/398876265.db2.gz HQLVMEXAPJMIQB-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c(Cl)c1 ZINC000594971360 398883759 /nfs/dbraw/zinc/88/37/59/398883759.db2.gz GPJWOFGNLMYIIU-LLVKDONJSA-N 1 0 306.696 2.762 20 5 DFBDRO CCSC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1 ZINC000594986227 398887221 /nfs/dbraw/zinc/88/72/21/398887221.db2.gz AXDKIJVVCFFJMH-UHFFFAOYSA-N 1 0 324.402 2.741 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000594981353 398886607 /nfs/dbraw/zinc/88/66/07/398886607.db2.gz YAEBLKVXTJCMTK-RDJZCZTQSA-N 1 0 314.389 2.829 20 5 DFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468642176 299280942 /nfs/dbraw/zinc/28/09/42/299280942.db2.gz IWZMAQTWPQVMBW-BHBDMTODSA-N 1 0 319.405 2.891 20 5 DFBDRO CC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595003141 398889286 /nfs/dbraw/zinc/88/92/86/398889286.db2.gz FCAQXNBJNHDBET-LBPRGKRZSA-N 1 0 307.394 2.738 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCCC1 ZINC000172823838 283387006 /nfs/dbraw/zinc/38/70/06/283387006.db2.gz SEIUDTSFIPETQP-GFCCVEGCSA-N 1 0 309.414 2.654 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012132 398891418 /nfs/dbraw/zinc/89/14/18/398891418.db2.gz OJGVQMJUNOKQAU-OLZOCXBDSA-N 1 0 309.410 2.984 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015742 398891557 /nfs/dbraw/zinc/89/15/57/398891557.db2.gz GNFKGGJDGSKYPU-UONOGXRCSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000595009044 398890720 /nfs/dbraw/zinc/89/07/20/398890720.db2.gz BCWJMCXCNOBEFW-WQGACYEGSA-N 1 0 319.405 2.737 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000595015863 398892596 /nfs/dbraw/zinc/89/25/96/398892596.db2.gz UFAONKFCMWBJKC-RYUDHWBXSA-N 1 0 304.350 2.539 20 5 DFBDRO CC(C)C[C@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915194 398892861 /nfs/dbraw/zinc/89/28/61/398892861.db2.gz JYIXUWAUWPMZSF-SECBINFHSA-N 1 0 314.773 2.743 20 5 DFBDRO [NH3+]C[C@H]1CCCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915793 398892899 /nfs/dbraw/zinc/89/28/99/398892899.db2.gz PBRAEHJZEKZMIF-SNVBAGLBSA-N 1 0 312.757 2.593 20 5 DFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914141 398892930 /nfs/dbraw/zinc/89/29/30/398892930.db2.gz ZVCRPYJCWJQUEU-LLVKDONJSA-N 1 0 314.773 2.743 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915744 398892946 /nfs/dbraw/zinc/89/29/46/398892946.db2.gz NTRCYTXPMVEAER-UHFFFAOYSA-N 1 0 314.773 2.887 20 5 DFBDRO CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913976 398892997 /nfs/dbraw/zinc/89/29/97/398892997.db2.gz TUHURQSXOZPNHT-UHFFFAOYSA-N 1 0 314.773 2.697 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000595023901 398894396 /nfs/dbraw/zinc/89/43/96/398894396.db2.gz ZIWBHEGTHITVFP-JQWIXIFHSA-N 1 0 318.377 2.917 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000595033392 398894654 /nfs/dbraw/zinc/89/46/54/398894654.db2.gz PRKZEMILAQQDEN-SLEUVZQESA-N 1 0 308.378 2.805 20 5 DFBDRO Cc1cccc(C(=O)NCC2(C[NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000186186260 199925768 /nfs/dbraw/zinc/92/57/68/199925768.db2.gz BBKDBMCWWLMHNH-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000595043107 398896329 /nfs/dbraw/zinc/89/63/29/398896329.db2.gz GPACWZPIBUZQDP-LBPRGKRZSA-N 1 0 316.357 2.947 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000595054390 398898371 /nfs/dbraw/zinc/89/83/71/398898371.db2.gz MZYCDBWQJJQGSI-DGCLKSJQSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000595053409 398897991 /nfs/dbraw/zinc/89/79/91/398897991.db2.gz YAKXZIKPKFLXQO-WDEREUQCSA-N 1 0 316.361 2.535 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595061193 398899825 /nfs/dbraw/zinc/89/98/25/398899825.db2.gz QXZWZZYCVCNOHS-FRFSOERESA-N 1 0 322.405 2.557 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595066388 398901326 /nfs/dbraw/zinc/90/13/26/398901326.db2.gz WSCUMFQIBPWSSC-RXKRBEDVSA-N 1 0 310.419 2.935 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595068347 398901909 /nfs/dbraw/zinc/90/19/09/398901909.db2.gz KWOBLUPXEMXMTO-GXFFZTMASA-N 1 0 300.305 2.978 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-] ZINC000595069927 398902206 /nfs/dbraw/zinc/90/22/06/398902206.db2.gz TWDSWSHDBPAURX-VXGBXAGGSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595099236 398905473 /nfs/dbraw/zinc/90/54/73/398905473.db2.gz GARDWDTXDGNTPB-CXAGYDPISA-N 1 0 322.405 2.813 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595099241 398905501 /nfs/dbraw/zinc/90/55/01/398905501.db2.gz GARDWDTXDGNTPB-SUMWQHHRSA-N 1 0 322.405 2.813 20 5 DFBDRO Cc1cncc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000595092720 398903705 /nfs/dbraw/zinc/90/37/05/398903705.db2.gz ZRHCHKUOPQEIPL-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595092270 398903814 /nfs/dbraw/zinc/90/38/14/398903814.db2.gz WPPBHRPYNFIHIR-UVBJJODRSA-N 1 0 320.389 2.948 20 5 DFBDRO Cc1cncc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000595092641 398904053 /nfs/dbraw/zinc/90/40/53/398904053.db2.gz YKIHOGAVMVMFRR-KRWDZBQOSA-N 1 0 312.373 2.903 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598994335 398904988 /nfs/dbraw/zinc/90/49/88/398904988.db2.gz KGUZIADPTRDGLP-PPYMECGQSA-N 1 0 303.406 2.930 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000470204604 299293110 /nfs/dbraw/zinc/29/31/10/299293110.db2.gz AMYSNKNCUXGEPC-ASVNSTDUSA-N 1 0 302.374 2.701 20 5 DFBDRO Cc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1[N+](=O)[O-] ZINC000599008295 398907003 /nfs/dbraw/zinc/90/70/03/398907003.db2.gz RITZNIVJVICTAI-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595221131 398911201 /nfs/dbraw/zinc/91/12/01/398911201.db2.gz MOUFTSWHAXUOAH-GFCCVEGCSA-N 1 0 323.418 2.508 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225805 398911524 /nfs/dbraw/zinc/91/15/24/398911524.db2.gz OSPOWHJBQWJVDI-GOEBONIOSA-N 1 0 317.389 2.589 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225845 398911627 /nfs/dbraw/zinc/91/16/27/398911627.db2.gz OYDQVRVSPIYKGS-DGCLKSJQSA-N 1 0 323.418 2.651 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187935607 200178923 /nfs/dbraw/zinc/17/89/23/200178923.db2.gz WHJYGMZQDTYWOW-WBMJQRKESA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187935549 200179188 /nfs/dbraw/zinc/17/91/88/200179188.db2.gz WHJYGMZQDTYWOW-MLGOLLRUSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599053490 398914029 /nfs/dbraw/zinc/91/40/29/398914029.db2.gz UJOMXBXPBOOBEP-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CN(CCCn1ccnc1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058442 398914657 /nfs/dbraw/zinc/91/46/57/398914657.db2.gz UZTJWCWJANLLGV-UHFFFAOYSA-N 1 0 311.345 2.866 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595268678 398914664 /nfs/dbraw/zinc/91/46/64/398914664.db2.gz MCESGIQHKXVRMB-TZMCWYRMSA-N 1 0 322.409 2.637 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000188078387 200190399 /nfs/dbraw/zinc/19/03/99/200190399.db2.gz CEDMCAVKJVJBDG-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066555 398916604 /nfs/dbraw/zinc/91/66/04/398916604.db2.gz SYGILNVHPFSGHD-HRCADAONSA-N 1 0 308.378 2.566 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599083522 398918543 /nfs/dbraw/zinc/91/85/43/398918543.db2.gz YFXGBYNJDMEUPB-WMHQRMGPSA-N 1 0 304.390 2.667 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312267 398921229 /nfs/dbraw/zinc/92/12/29/398921229.db2.gz SEKPEEXAWOXKGS-CABCVRRESA-N 1 0 307.369 2.793 20 5 DFBDRO CCC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188497544 200256279 /nfs/dbraw/zinc/25/62/79/200256279.db2.gz YRIHFMATXOVJJA-DOMZBBRYSA-N 1 0 307.394 2.892 20 5 DFBDRO COCC[C@@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306772 296008626 /nfs/dbraw/zinc/00/86/26/296008626.db2.gz GMMLFTBWUCSXBS-DLBZAZTESA-N 1 0 322.405 2.739 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189168158 200359523 /nfs/dbraw/zinc/35/95/23/200359523.db2.gz QHJIOYSICQUMQM-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381081 398930287 /nfs/dbraw/zinc/93/02/87/398930287.db2.gz ITUPSLHMGZAIDX-LSDHHAIUSA-N 1 0 307.369 2.793 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)C1CC1 ZINC000189328085 200382097 /nfs/dbraw/zinc/38/20/97/200382097.db2.gz XGFNLTURMCSZLG-RCBQFDQVSA-N 1 0 304.390 2.667 20 5 DFBDRO COC[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417325228 296010098 /nfs/dbraw/zinc/01/00/98/296010098.db2.gz DEDKPJHJMGVGGX-ZBFHGGJFSA-N 1 0 308.378 2.613 20 5 DFBDRO CN(C)C(=O)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346809 296012199 /nfs/dbraw/zinc/01/21/99/296012199.db2.gz WKBTTZOVLQKSKU-INIZCTEOSA-N 1 0 319.405 2.820 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)CCCC2 ZINC000417344498 296012244 /nfs/dbraw/zinc/01/22/44/296012244.db2.gz SFFHTZXIQBKLTR-QWHCGFSZSA-N 1 0 318.295 2.875 20 5 DFBDRO O=C(CC[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000153223626 398935116 /nfs/dbraw/zinc/93/51/16/398935116.db2.gz KURGPFOTYBRMDR-STQMWFEESA-N 1 0 303.362 2.655 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)C1CC1)CCCC2 ZINC000417351372 296012778 /nfs/dbraw/zinc/01/27/78/296012778.db2.gz RPLLMZOSPGBWQN-WMLDXEAASA-N 1 0 304.390 2.970 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC12CC2 ZINC000417367582 296014147 /nfs/dbraw/zinc/01/41/47/296014147.db2.gz PWZSBLNWUKRUNC-NWDGAFQWSA-N 1 0 303.362 2.702 20 5 DFBDRO Cc1cc(N[C@H]2CO[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599181764 398935982 /nfs/dbraw/zinc/93/59/82/398935982.db2.gz UFXLXJAWEQRKIV-PXAZEXFGSA-N 1 0 313.357 2.853 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(CC)CC ZINC000595441269 398938915 /nfs/dbraw/zinc/93/89/15/398938915.db2.gz VQTKHBABNOXKMS-STQMWFEESA-N 1 0 311.382 2.965 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C1(CC)CC ZINC000595441267 398939157 /nfs/dbraw/zinc/93/91/57/398939157.db2.gz VQTKHBABNOXKMS-OLZOCXBDSA-N 1 0 311.382 2.965 20 5 DFBDRO CSCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281261134 216192645 /nfs/dbraw/zinc/19/26/45/216192645.db2.gz FFJSCOHVWYQNSE-NSHDSACASA-N 1 0 311.407 2.607 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[NH+](CCC2CCC2)CC1 ZINC000595504268 398952463 /nfs/dbraw/zinc/95/24/63/398952463.db2.gz AFMVXVXMBHPEQP-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO C[N@@H+]1CC[C@@]2(C1)CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507779 398953016 /nfs/dbraw/zinc/95/30/16/398953016.db2.gz QPSXRWLDURWWIE-QGZVFWFLSA-N 1 0 303.406 2.555 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505819 398953303 /nfs/dbraw/zinc/95/33/03/398953303.db2.gz VRHNZTTXZZBBIA-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO CC[NH+]1CCC(CCNc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000078401518 398954492 /nfs/dbraw/zinc/95/44/92/398954492.db2.gz KEONHKIIFDHVHW-UHFFFAOYSA-N 1 0 323.422 2.838 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000595524336 398956527 /nfs/dbraw/zinc/95/65/27/398956527.db2.gz SMQYGJHOVVFLNS-KFWWJZLASA-N 1 0 316.405 2.548 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191886096 200774058 /nfs/dbraw/zinc/77/40/58/200774058.db2.gz UXCODJZWPPLCSP-CVEARBPZSA-N 1 0 314.389 2.792 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078506550 398961358 /nfs/dbraw/zinc/96/13/58/398961358.db2.gz HPFZHWOQFWZZCE-OAHLLOKOSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000078516295 398963198 /nfs/dbraw/zinc/96/31/98/398963198.db2.gz YXNPDNDEHOORED-CQSZACIVSA-N 1 0 322.405 2.989 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cc(CO)ccc1F ZINC000599403536 398974102 /nfs/dbraw/zinc/97/41/02/398974102.db2.gz ATFQPIXNWQYWTC-UHFFFAOYSA-N 1 0 318.348 2.901 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cc(CO)ccc1F ZINC000599411654 398975488 /nfs/dbraw/zinc/97/54/88/398975488.db2.gz BKNHQUUXSWICFU-UHFFFAOYSA-N 1 0 318.348 2.901 20 5 DFBDRO CC[C@@H](NC(=O)c1ccc(C[NH3+])o1)c1cccc([N+](=O)[O-])c1 ZINC000162434077 398981282 /nfs/dbraw/zinc/98/12/82/398981282.db2.gz QBKRYZSDLPLVLX-CYBMUJFWSA-N 1 0 303.318 2.528 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078723170 398983211 /nfs/dbraw/zinc/98/32/11/398983211.db2.gz ADVJMYDPOJPHSX-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595597605 398991163 /nfs/dbraw/zinc/99/11/63/398991163.db2.gz STIXKORBWJLCHO-AWEZNQCLSA-N 1 0 318.348 2.769 20 5 DFBDRO CSc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000194932887 201314069 /nfs/dbraw/zinc/31/40/69/201314069.db2.gz HLKLQGPWUNJIRK-NSHDSACASA-N 1 0 306.391 2.864 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2Cc3ccc(O)cc3C2)c1 ZINC000599539387 399006602 /nfs/dbraw/zinc/00/66/02/399006602.db2.gz ZWYFKMPGGBZIID-UHFFFAOYSA-N 1 0 300.314 2.695 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000595634003 399012079 /nfs/dbraw/zinc/01/20/79/399012079.db2.gz SIOLUZWBBFZYMX-SCDSUCTJSA-N 1 0 310.781 2.841 20 5 DFBDRO Cc1nccnc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292949674 223322735 /nfs/dbraw/zinc/32/27/35/223322735.db2.gz IOKSTVDAMOGNEY-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595639000 399015111 /nfs/dbraw/zinc/01/51/11/399015111.db2.gz QRXJUOZYJOZMEZ-TZMCWYRMSA-N 1 0 310.394 2.749 20 5 DFBDRO CC1(C)CCC[C@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599592819 399023901 /nfs/dbraw/zinc/02/39/01/399023901.db2.gz AFWPSAGRESOPRL-KRWDZBQOSA-N 1 0 322.405 2.895 20 5 DFBDRO Cc1c(NC(=O)CC[NH+](C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000599599110 399026073 /nfs/dbraw/zinc/02/60/73/399026073.db2.gz ISKGCCPLVFWVLC-UHFFFAOYSA-N 1 0 303.362 2.859 20 5 DFBDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671377 399027845 /nfs/dbraw/zinc/02/78/45/399027845.db2.gz FEAJWQSVLNHMTI-PBHICJAKSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418135709 296080418 /nfs/dbraw/zinc/08/04/18/296080418.db2.gz QZCVCRJUGGMTPT-UHFFFAOYSA-N 1 0 322.405 2.561 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091673018 193089586 /nfs/dbraw/zinc/08/95/86/193089586.db2.gz PUCNCOZQGPEPCS-GHMZBOCLSA-N 1 0 311.769 2.523 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000091832515 193114373 /nfs/dbraw/zinc/11/43/73/193114373.db2.gz XOCWVFRUOLELBH-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO C[C@H](c1ccncc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091988924 193137646 /nfs/dbraw/zinc/13/76/46/193137646.db2.gz BFHUTEXATIYFBL-WBMJQRKESA-N 1 0 301.346 2.716 20 5 DFBDRO CCOCCO[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000092067333 193152315 /nfs/dbraw/zinc/15/23/15/193152315.db2.gz ICBMKZLSXGZAIE-YERXGYGTSA-N 1 0 320.389 2.735 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699832 399042452 /nfs/dbraw/zinc/04/24/52/399042452.db2.gz ONMUCQOOBPVRLF-DZGCQCFKSA-N 1 0 322.405 2.976 20 5 DFBDRO CCOc1cc(C[N@H+](C)CC(O)(CC)CC)ccc1[N+](=O)[O-] ZINC000599673090 399055241 /nfs/dbraw/zinc/05/52/41/399055241.db2.gz JMQWPIHNLCLJEJ-UHFFFAOYSA-N 1 0 310.394 2.976 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255892059 283914769 /nfs/dbraw/zinc/91/47/69/283914769.db2.gz YJDHILYWUHVTIA-CKSNUIATSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000600474585 399058743 /nfs/dbraw/zinc/05/87/43/399058743.db2.gz ZISHCUWWUZPSHR-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418436910 296096082 /nfs/dbraw/zinc/09/60/82/296096082.db2.gz JRYBGSBMDKTUMP-UHFFFAOYSA-N 1 0 322.409 2.647 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595749085 399068338 /nfs/dbraw/zinc/06/83/38/399068338.db2.gz DFWUOBFEOKYBIY-QGZVFWFLSA-N 1 0 320.389 2.730 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)C1CC1 ZINC000595765545 399075165 /nfs/dbraw/zinc/07/51/65/399075165.db2.gz KKDZXHZQRKTPLO-ZDUSSCGKSA-N 1 0 302.334 2.923 20 5 DFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000595764412 399075414 /nfs/dbraw/zinc/07/54/14/399075414.db2.gz BFFYZJMWTWDCDG-CYBMUJFWSA-N 1 0 321.377 2.710 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288181980 220002424 /nfs/dbraw/zinc/00/24/24/220002424.db2.gz BOPXPCRTMZSFSL-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO C[C@@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292803686 284009155 /nfs/dbraw/zinc/00/91/55/284009155.db2.gz MMOURYMWQYYRBX-SECBINFHSA-N 1 0 306.284 2.816 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595777938 399081127 /nfs/dbraw/zinc/08/11/27/399081127.db2.gz MIFDZMMSHZGOOP-HOTGVXAUSA-N 1 0 320.389 2.775 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000613779830 399081236 /nfs/dbraw/zinc/08/12/36/399081236.db2.gz WEQQAGZMZLKJJR-LBPRGKRZSA-N 1 0 320.393 2.755 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000079770768 399083651 /nfs/dbraw/zinc/08/36/51/399083651.db2.gz FDKTYWCFODYHTK-HNNXBMFYSA-N 1 0 308.378 2.585 20 5 DFBDRO O=C1CCCC12CC[NH+](CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000595805102 399090763 /nfs/dbraw/zinc/09/07/63/399090763.db2.gz DQXMVDUPWCUYAO-UHFFFAOYSA-N 1 0 302.374 2.973 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058936993 399103619 /nfs/dbraw/zinc/10/36/19/399103619.db2.gz ABBTXMGRZONWET-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO CC(C)CC1([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000595832147 399104401 /nfs/dbraw/zinc/10/44/01/399104401.db2.gz CPMWYUOEKKGNFG-AWEZNQCLSA-N 1 0 308.378 2.503 20 5 DFBDRO CC[N@H+](CCC(=O)OC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093097757 193202616 /nfs/dbraw/zinc/20/26/16/193202616.db2.gz KKKQCBUYCYWBIF-UHFFFAOYSA-N 1 0 300.742 2.633 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000419374685 296137847 /nfs/dbraw/zinc/13/78/47/296137847.db2.gz QITNBGLMJZPNNI-YNEHKIRRSA-N 1 0 305.378 2.818 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419379355 296138100 /nfs/dbraw/zinc/13/81/00/296138100.db2.gz WPUIJMWBQVCYET-FDYHWXHSSA-N 1 0 305.378 2.898 20 5 DFBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000059890488 399112948 /nfs/dbraw/zinc/11/29/48/399112948.db2.gz SFECDMOWCJMKGI-DYVFJYSZSA-N 1 0 319.405 2.835 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705777 399120720 /nfs/dbraw/zinc/12/07/20/399120720.db2.gz AFZSVHWNTSDPMM-HOTGVXAUSA-N 1 0 301.390 2.846 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434009 193250845 /nfs/dbraw/zinc/25/08/45/193250845.db2.gz WMGJWYOZBFPMRN-QMMMGPOBSA-N 1 0 317.187 2.504 20 5 DFBDRO COCCOC[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093754321 193300505 /nfs/dbraw/zinc/30/05/05/193300505.db2.gz BWDQDOZLTKKTLJ-CSPWOOARSA-N 1 0 320.389 2.593 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-] ZINC000093808903 193310115 /nfs/dbraw/zinc/31/01/15/193310115.db2.gz ALFVHSVTUYQKIK-ZDUSSCGKSA-N 1 0 319.405 2.806 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900812 399127895 /nfs/dbraw/zinc/12/78/95/399127895.db2.gz MDHPMRVHPOUNKP-CQSZACIVSA-N 1 0 319.405 2.512 20 5 DFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])n2C)c1 ZINC000340334358 284177911 /nfs/dbraw/zinc/17/79/11/284177911.db2.gz SZIRRAUQMSAXQB-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N(C)[C@H](C[NH3+])C(F)(F)F ZINC000595906922 399130444 /nfs/dbraw/zinc/13/04/44/399130444.db2.gz CSCUNOXOEHSRJE-JOYOIKCWSA-N 1 0 305.300 2.786 20 5 DFBDRO [NH3+][C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420111599 296158849 /nfs/dbraw/zinc/15/88/49/296158849.db2.gz GPDJALKVITUQEA-LLVKDONJSA-N 1 0 304.375 2.646 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000340925307 284219506 /nfs/dbraw/zinc/21/95/06/284219506.db2.gz ZFWAWGKFMXODCC-UHFFFAOYSA-N 1 0 315.377 2.709 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420159812 296159952 /nfs/dbraw/zinc/15/99/52/296159952.db2.gz SUOYHKLFWCBTBA-CQSZACIVSA-N 1 0 312.373 2.845 20 5 DFBDRO C[C@@]1(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114778 399140164 /nfs/dbraw/zinc/14/01/64/399140164.db2.gz AXTIEQODGWYLTK-WFASDCNBSA-N 1 0 322.434 2.762 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000420182064 296160771 /nfs/dbraw/zinc/16/07/71/296160771.db2.gz YRYKQUWTHPGBGM-SECBINFHSA-N 1 0 301.293 2.608 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000420185566 296161026 /nfs/dbraw/zinc/16/10/26/296161026.db2.gz LAQYEGJBYDQMSL-GFCCVEGCSA-N 1 0 309.366 2.557 20 5 DFBDRO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H]1C[NH3+] ZINC000420184537 296161069 /nfs/dbraw/zinc/16/10/69/296161069.db2.gz JOJLLRDEZXUASB-BXKDBHETSA-N 1 0 315.320 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC(F)F ZINC000420203942 296162206 /nfs/dbraw/zinc/16/22/06/296162206.db2.gz RMSKEBRBNWKLJB-ZJUUUORDSA-N 1 0 313.304 2.527 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC000420200567 296162053 /nfs/dbraw/zinc/16/20/53/296162053.db2.gz XLGIRRYFFNUGQR-QMMMGPOBSA-N 1 0 304.177 2.947 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420215583 296162900 /nfs/dbraw/zinc/16/29/00/296162900.db2.gz KUORLHLDJJVMOC-AWEZNQCLSA-N 1 0 304.394 2.575 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420214670 296162940 /nfs/dbraw/zinc/16/29/40/296162940.db2.gz RJYMXOJGROPCJA-CYBMUJFWSA-N 1 0 318.402 2.907 20 5 DFBDRO COCC[NH2+]CCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420219237 296163192 /nfs/dbraw/zinc/16/31/92/296163192.db2.gz PQTSQWYBYKUFAA-UHFFFAOYSA-N 1 0 321.299 2.570 20 5 DFBDRO C[C@]1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCC[NH2+]C1 ZINC000420225684 296163594 /nfs/dbraw/zinc/16/35/94/296163594.db2.gz FAJJNIPXYXTQMN-AWEZNQCLSA-N 1 0 315.320 2.998 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420228389 296163892 /nfs/dbraw/zinc/16/38/92/296163892.db2.gz FCORGRMDLKBUKF-ZDUSSCGKSA-N 1 0 300.362 2.721 20 5 DFBDRO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420246426 296165412 /nfs/dbraw/zinc/16/54/12/296165412.db2.gz STAWULUCOWSZGK-YGRLFVJLSA-N 1 0 300.362 2.861 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1[NH2+]CCc3ccccc31)CCN2 ZINC000420255511 296166324 /nfs/dbraw/zinc/16/63/24/296166324.db2.gz SXGXSIBGEZDGFZ-INIZCTEOSA-N 1 0 324.384 2.862 20 5 DFBDRO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)C(F)F ZINC000420257630 296166585 /nfs/dbraw/zinc/16/65/85/296166585.db2.gz FFGWYMINMYZQCN-QMMMGPOBSA-N 1 0 311.235 2.591 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000420259953 296166607 /nfs/dbraw/zinc/16/66/07/296166607.db2.gz NFPNPFMLLYURGH-HAQNSBGRSA-N 1 0 321.377 2.558 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000264661086 204061193 /nfs/dbraw/zinc/06/11/93/204061193.db2.gz YVBKVRWWYSJDPO-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420274055 296168237 /nfs/dbraw/zinc/16/82/37/296168237.db2.gz JMQDQOIUBQRUDE-BDAKNGLRSA-N 1 0 301.293 2.736 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420280933 296168886 /nfs/dbraw/zinc/16/88/86/296168886.db2.gz VHWDCAVOZCLYMI-KGLIPLIRSA-N 1 0 317.389 2.623 20 5 DFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000420280320 296168920 /nfs/dbraw/zinc/16/89/20/296168920.db2.gz KPNGTURJWFPAFU-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420277228 296168314 /nfs/dbraw/zinc/16/83/14/296168314.db2.gz HPMQUAZWKYDYDM-NEPJUHHUSA-N 1 0 300.362 2.564 20 5 DFBDRO COCC[C@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000618551086 399155861 /nfs/dbraw/zinc/15/58/61/399155861.db2.gz SANOABGLYVHJQK-AWEZNQCLSA-N 1 0 314.769 2.533 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(N3CC[C@@H]4C[NH2+]C[C@@H]43)n2)cc1 ZINC000420285411 296169390 /nfs/dbraw/zinc/16/93/90/296169390.db2.gz VONPGXSIZOYZDB-RISCZKNCSA-N 1 0 316.386 2.516 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1c([N+](=O)[O-])nc(C)n1CC ZINC000420284698 296169445 /nfs/dbraw/zinc/16/94/45/296169445.db2.gz UXFDZBUKGUQKLO-AWEZNQCLSA-N 1 0 317.393 2.794 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000420293392 296170311 /nfs/dbraw/zinc/17/03/11/296170311.db2.gz XUAPXBWBDGIQMC-BDAKNGLRSA-N 1 0 318.299 2.938 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000080555657 399158280 /nfs/dbraw/zinc/15/82/80/399158280.db2.gz WBRBMSPPRKEIRV-KBPBESRZSA-N 1 0 307.394 2.814 20 5 DFBDRO C[C@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000264965575 204309392 /nfs/dbraw/zinc/30/93/92/204309392.db2.gz PIWRIVXRJIDTNV-LLVKDONJSA-N 1 0 320.418 2.758 20 5 DFBDRO Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cs1 ZINC000618565237 399160664 /nfs/dbraw/zinc/16/06/64/399160664.db2.gz MAJVYRYWGCVRHF-STQMWFEESA-N 1 0 321.406 2.830 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618574640 399164635 /nfs/dbraw/zinc/16/46/35/399164635.db2.gz FFXLXHWCDZFAHK-JCURWCKSSA-N 1 0 303.406 2.902 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596077318 399164372 /nfs/dbraw/zinc/16/43/72/399164372.db2.gz SXKLZEVJARGFJE-LBPRGKRZSA-N 1 0 308.382 2.619 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288218930 220025671 /nfs/dbraw/zinc/02/56/71/220025671.db2.gz DPHPEMGKFSJUNH-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000288244637 220039570 /nfs/dbraw/zinc/03/95/70/220039570.db2.gz XIMKQHPIZCRNHT-AWEZNQCLSA-N 1 0 317.393 2.834 20 5 DFBDRO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000614205873 399174649 /nfs/dbraw/zinc/17/46/49/399174649.db2.gz DASVXSSRDWLGIL-HOCLYGCPSA-N 1 0 319.405 2.640 20 5 DFBDRO COC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182739280 284331773 /nfs/dbraw/zinc/33/17/73/284331773.db2.gz VKDIVQYTNQNOKR-STQMWFEESA-N 1 0 306.362 2.849 20 5 DFBDRO C[C@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342474171 284340235 /nfs/dbraw/zinc/34/02/35/284340235.db2.gz PLVYZMLYNSHCGH-XQQFMLRXSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1ccc(-c2ccc3c(c2)CC[C@]([NH3+])(CO)C3)cc1[N+](=O)[O-] ZINC000600946697 399184269 /nfs/dbraw/zinc/18/42/69/399184269.db2.gz RHBAONKYQMBEGJ-GOSISDBHSA-N 1 0 312.369 2.749 20 5 DFBDRO [NH3+]C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600950837 399184563 /nfs/dbraw/zinc/18/45/63/399184563.db2.gz AOJNGXJPVIXHFX-JGVFFNPUSA-N 1 0 309.313 2.620 20 5 DFBDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271699788 209135974 /nfs/dbraw/zinc/13/59/74/209135974.db2.gz SHIWXNOOSBESPU-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+]1CC ZINC000614236448 399185683 /nfs/dbraw/zinc/18/56/83/399185683.db2.gz RIMZLMICKBWEAM-KRWDZBQOSA-N 1 0 305.422 2.944 20 5 DFBDRO [NH3+]C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600952929 399185740 /nfs/dbraw/zinc/18/57/40/399185740.db2.gz UOXZYRDGXAGCIL-IUCAKERBSA-N 1 0 321.274 2.697 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600951349 399185768 /nfs/dbraw/zinc/18/57/68/399185768.db2.gz DVHQHILCKVQPSH-MNOVXSKESA-N 1 0 317.311 2.867 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000596138187 399186950 /nfs/dbraw/zinc/18/69/50/399186950.db2.gz RANUYYRSOZAADB-GFCCVEGCSA-N 1 0 324.812 2.955 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000600958790 399187397 /nfs/dbraw/zinc/18/73/97/399187397.db2.gz LCBJTCVQJFCIIL-CYBMUJFWSA-N 1 0 300.362 2.851 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000600958554 399187551 /nfs/dbraw/zinc/18/75/51/399187551.db2.gz HTNFKNFXCYVMGW-GFCCVEGCSA-N 1 0 300.362 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000063464848 399190448 /nfs/dbraw/zinc/19/04/48/399190448.db2.gz NDZZIAPPCYAGDS-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1c(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000198374822 399194301 /nfs/dbraw/zinc/19/43/01/399194301.db2.gz CYTFZLWUHMKRBY-CYBMUJFWSA-N 1 0 319.405 2.898 20 5 DFBDRO COc1cc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156619 399194416 /nfs/dbraw/zinc/19/44/16/399194416.db2.gz LZXVZOJGNCIXQB-ZANVPECISA-N 1 0 313.785 2.643 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000596157145 399196064 /nfs/dbraw/zinc/19/60/64/399196064.db2.gz OUKZNZUIHYQXKC-TVQRCGJNSA-N 1 0 317.311 3.000 20 5 DFBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)N(C)C(=O)OC(C)(C)C ZINC000282832835 217280667 /nfs/dbraw/zinc/28/06/67/217280667.db2.gz OGNSZJBGSWSNHT-GFCCVEGCSA-N 1 0 323.393 2.940 20 5 DFBDRO COc1cncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1C ZINC000601103261 399228172 /nfs/dbraw/zinc/22/81/72/399228172.db2.gz SASOESBZBYWDBZ-UHFFFAOYSA-N 1 0 317.345 2.605 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116811 399231544 /nfs/dbraw/zinc/23/15/44/399231544.db2.gz XOQHKXICXOQUAE-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000601121405 399233604 /nfs/dbraw/zinc/23/36/04/399233604.db2.gz NVMPEJOIBMPCNU-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1NC1CC[NH+](C2CCCC2)CC1 ZINC000601124063 399234122 /nfs/dbraw/zinc/23/41/22/399234122.db2.gz CEODVCIUWYWVCH-UHFFFAOYSA-N 1 0 308.357 2.948 20 5 DFBDRO CN(C[C@@H]1CCC[C@@H]1O)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134839 399237409 /nfs/dbraw/zinc/23/74/09/399237409.db2.gz IMUJXELWACQXBN-ZBEGNZNMSA-N 1 0 301.346 2.740 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139573 399239711 /nfs/dbraw/zinc/23/97/11/399239711.db2.gz GDOWCLUAUADNRT-PXAZEXFGSA-N 1 0 312.373 2.673 20 5 DFBDRO C[NH+]1CCC(n2cc(NCc3ccccc3[N+](=O)[O-])cn2)CC1 ZINC000601149855 399241680 /nfs/dbraw/zinc/24/16/80/399241680.db2.gz QTFOLSSMHLEFJC-UHFFFAOYSA-N 1 0 315.377 2.670 20 5 DFBDRO Cc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601150457 399241902 /nfs/dbraw/zinc/24/19/02/399241902.db2.gz XPLNIFUIMVSMAB-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO COc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149586 399241935 /nfs/dbraw/zinc/24/19/35/399241935.db2.gz OLXZGAHLUOTYJF-QGZVFWFLSA-N 1 0 316.357 2.601 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)Nc1cccc([N+](=O)[O-])c1 ZINC000024235098 182377462 /nfs/dbraw/zinc/37/74/62/182377462.db2.gz ISWMQIDBKGYHMW-UHFFFAOYSA-N 1 0 320.393 2.982 20 5 DFBDRO C[C@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991427 182371492 /nfs/dbraw/zinc/37/14/92/182371492.db2.gz GJRWYEXPOBSBGR-NSHDSACASA-N 1 0 302.334 2.877 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184330 399250116 /nfs/dbraw/zinc/25/01/16/399250116.db2.gz JZIOLMWFTFKYSK-OLZOCXBDSA-N 1 0 312.373 2.531 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F ZINC000601300237 399273632 /nfs/dbraw/zinc/27/36/32/399273632.db2.gz GJNDKIYPOGDCIP-SBMIAAHKSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000601300665 399273809 /nfs/dbraw/zinc/27/38/09/399273809.db2.gz IXDLPUHXUZRERW-YGOYTEALSA-N 1 0 306.284 2.866 20 5 DFBDRO [NH3+]C[C@H]1Cc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000601335731 399279108 /nfs/dbraw/zinc/27/91/08/399279108.db2.gz QWAPSPSWEXUZLX-LLVKDONJSA-N 1 0 303.387 2.794 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609135534 399305256 /nfs/dbraw/zinc/30/52/56/399305256.db2.gz PKGWTXSMHKEYAE-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000042587804 183287558 /nfs/dbraw/zinc/28/75/58/183287558.db2.gz OHZPXQWTEQEZEC-CQSZACIVSA-N 1 0 307.394 2.609 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000615203282 399312277 /nfs/dbraw/zinc/31/22/77/399312277.db2.gz XRPDZHPBLATUCZ-IUODEOHRSA-N 1 0 319.405 2.788 20 5 DFBDRO Cc1c(NC(=O)N2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000043347985 183356448 /nfs/dbraw/zinc/35/64/48/183356448.db2.gz YFMAYXKDAJATMB-UHFFFAOYSA-N 1 0 320.393 2.709 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)c1 ZINC000609494923 399319971 /nfs/dbraw/zinc/31/99/71/399319971.db2.gz BKBAUWPZBWREGR-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000609560471 399323025 /nfs/dbraw/zinc/32/30/25/399323025.db2.gz FVOJJBGTHJLKTP-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1c(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000609552198 399322800 /nfs/dbraw/zinc/32/28/00/399322800.db2.gz BFAZIUKFNPAGJH-ZDUSSCGKSA-N 1 0 320.393 2.898 20 5 DFBDRO CCOC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000609626461 399327918 /nfs/dbraw/zinc/32/79/18/399327918.db2.gz VUPLTQTWPRIODA-UHFFFAOYSA-N 1 0 306.362 2.555 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057609 217864574 /nfs/dbraw/zinc/86/45/74/217864574.db2.gz KPHXFXUUUCQHDH-NDMCHQMPSA-N 1 0 305.378 2.641 20 5 DFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000274157974 211389251 /nfs/dbraw/zinc/38/92/51/211389251.db2.gz ZANTYWZWLVQWQR-CVEARBPZSA-N 1 0 321.446 2.606 20 5 DFBDRO CS[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000274157976 211388398 /nfs/dbraw/zinc/38/83/98/211388398.db2.gz ZANTYWZWLVQWQR-HZPDHXFCSA-N 1 0 321.446 2.606 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000274131191 211384862 /nfs/dbraw/zinc/38/48/62/211384862.db2.gz BXEBFCYVCKLPCC-KKBVYLPWSA-N 1 0 320.389 2.972 20 5 DFBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])nc3)C2)c1 ZINC000609797060 399332149 /nfs/dbraw/zinc/33/21/49/399332149.db2.gz VNWVJXRJMCRHAF-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609839797 399333250 /nfs/dbraw/zinc/33/32/50/399333250.db2.gz SLGJQUNDHMHQRL-LBPRGKRZSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000609877870 399334746 /nfs/dbraw/zinc/33/47/46/399334746.db2.gz QATVVYFILDNGHK-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCC2(O)CCC2)n1 ZINC000421856602 296278120 /nfs/dbraw/zinc/27/81/20/296278120.db2.gz NQBUFCNZWTXMON-KBPBESRZSA-N 1 0 322.409 2.560 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601791366 399337212 /nfs/dbraw/zinc/33/72/12/399337212.db2.gz MFJTZDXZGYTBGF-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000421903111 296279983 /nfs/dbraw/zinc/27/99/83/296279983.db2.gz WFUVHICFUREPKP-CQSZACIVSA-N 1 0 319.405 2.673 20 5 DFBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000610133302 399343845 /nfs/dbraw/zinc/34/38/45/399343845.db2.gz BRAZZIHQOOMYNF-MNOVXSKESA-N 1 0 302.334 2.875 20 5 DFBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000619433847 399345692 /nfs/dbraw/zinc/34/56/92/399345692.db2.gz YZKZCOHEIFMRJC-VXGBXAGGSA-N 1 0 306.362 2.892 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000610239995 399349710 /nfs/dbraw/zinc/34/97/10/399349710.db2.gz UAEIRMJPZUUASW-CVEARBPZSA-N 1 0 317.389 2.602 20 5 DFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531339 399358539 /nfs/dbraw/zinc/35/85/39/399358539.db2.gz PSIUKXXBQQHZOG-ZDUSSCGKSA-N 1 0 322.361 2.521 20 5 DFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000284910359 218231457 /nfs/dbraw/zinc/23/14/57/218231457.db2.gz VFJGQDRWGMLWLH-MRXNPFEDSA-N 1 0 319.405 2.518 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](CC)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000610437351 399367623 /nfs/dbraw/zinc/36/76/23/399367623.db2.gz PPIRWQJUEUSTMV-HNNXBMFYSA-N 1 0 319.405 2.761 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c(F)c1 ZINC000610476213 399370843 /nfs/dbraw/zinc/37/08/43/399370843.db2.gz AITUUPHMVYGCOD-LBPRGKRZSA-N 1 0 304.325 2.837 20 5 DFBDRO Cc1ccc(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000601966438 399370658 /nfs/dbraw/zinc/37/06/58/399370658.db2.gz ATHLXWMGEGKYKE-UHFFFAOYSA-N 1 0 303.318 2.615 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601965008 399370706 /nfs/dbraw/zinc/37/07/06/399370706.db2.gz MGRWKMCZTIUZSB-ULQDDVLXSA-N 1 0 322.405 2.548 20 5 DFBDRO CC[C@H]1c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485231 399372373 /nfs/dbraw/zinc/37/23/73/399372373.db2.gz VCMMGNSNFHUMKY-HNNXBMFYSA-N 1 0 300.362 2.801 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2 ZINC000610484724 399372450 /nfs/dbraw/zinc/37/24/50/399372450.db2.gz RTWBINFLAWZZQM-JISDDCRVSA-N 1 0 318.421 2.986 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610476733 399371434 /nfs/dbraw/zinc/37/14/34/399371434.db2.gz YDMCMCRNNYSVDW-CVEARBPZSA-N 1 0 307.369 2.793 20 5 DFBDRO CCCN(CCC[NH+](C)C)c1ncnc2ccc([N+](=O)[O-])cc21 ZINC000615728673 399378142 /nfs/dbraw/zinc/37/81/42/399378142.db2.gz OBACKWYAPFYSPX-UHFFFAOYSA-N 1 0 317.393 2.706 20 5 DFBDRO CC[C@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106115128 194188370 /nfs/dbraw/zinc/18/83/70/194188370.db2.gz XDAVEIUUWRHRDE-HOCLYGCPSA-N 1 0 321.421 2.698 20 5 DFBDRO COc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1F ZINC000619715299 399381738 /nfs/dbraw/zinc/38/17/38/399381738.db2.gz ZWBDLAZJCCGQHY-UHFFFAOYSA-N 1 0 320.320 2.911 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000610575726 399381864 /nfs/dbraw/zinc/38/18/64/399381864.db2.gz FESSLAOZKAVCPN-SNVBAGLBSA-N 1 0 309.395 2.590 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610585366 399383929 /nfs/dbraw/zinc/38/39/29/399383929.db2.gz MGNZEPODWQQQIC-IUODEOHRSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273668591 210964189 /nfs/dbraw/zinc/96/41/89/210964189.db2.gz XFHRFLRYPNQZJN-GFCCVEGCSA-N 1 0 315.377 2.926 20 5 DFBDRO CCn1nccc1CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285316724 218378907 /nfs/dbraw/zinc/37/89/07/218378907.db2.gz MNXRHHIFKLIHFY-UHFFFAOYSA-N 1 0 302.378 2.528 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070700 399391533 /nfs/dbraw/zinc/39/15/33/399391533.db2.gz HYQRUNGMCZQPEH-LRDDRELGSA-N 1 0 317.389 2.789 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619782590 399391638 /nfs/dbraw/zinc/39/16/38/399391638.db2.gz FJNDWCCZKBUOJC-RISCZKNCSA-N 1 0 322.386 2.747 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000610678629 399392056 /nfs/dbraw/zinc/39/20/56/399392056.db2.gz XPTWXEGLPRROKV-RISCZKNCSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000610678130 399392085 /nfs/dbraw/zinc/39/20/85/399392085.db2.gz DDLWKMIOIFQGLP-NHYWBVRUSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602115585 399397240 /nfs/dbraw/zinc/39/72/40/399397240.db2.gz IHDNIZLAHMVUNG-CQSZACIVSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602158724 399402384 /nfs/dbraw/zinc/40/23/84/399402384.db2.gz DKMGEMVXOGONLW-GFCCVEGCSA-N 1 0 320.393 2.695 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602166439 399403629 /nfs/dbraw/zinc/40/36/29/399403629.db2.gz HLPJNSNAUVMEOU-OKILXGFUSA-N 1 0 317.389 2.568 20 5 DFBDRO C[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602174852 399404910 /nfs/dbraw/zinc/40/49/10/399404910.db2.gz VWOZOQZXYROZIV-NILFDRSVSA-N 1 0 319.405 2.543 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1cccc([N+](=O)[O-])c1 ZINC000610798980 399407912 /nfs/dbraw/zinc/40/79/12/399407912.db2.gz CMGAKHPUWCGHPW-LBPRGKRZSA-N 1 0 300.362 2.907 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422709113 296319959 /nfs/dbraw/zinc/31/99/59/296319959.db2.gz CSYUJZQXBPJJIZ-OWCLPIDISA-N 1 0 319.405 2.614 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000422717366 296321011 /nfs/dbraw/zinc/32/10/11/296321011.db2.gz KRAYDJKEVCJCTR-CQSZACIVSA-N 1 0 319.405 2.592 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000602231878 399413303 /nfs/dbraw/zinc/41/33/03/399413303.db2.gz RLOLVJCEQBZVAF-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1ncc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000268972665 207135542 /nfs/dbraw/zinc/13/55/42/207135542.db2.gz ZJDTWQMXTYSICW-NSHDSACASA-N 1 0 300.362 2.895 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1O ZINC000058092748 184074297 /nfs/dbraw/zinc/07/42/97/184074297.db2.gz YVCXZHFNPDUTKB-UHFFFAOYSA-N 1 0 302.330 2.641 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1([NH3+])CCCCCC1 ZINC000422730397 296322726 /nfs/dbraw/zinc/32/27/26/296322726.db2.gz DTCJWSFXEKGZNM-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000269000851 207157025 /nfs/dbraw/zinc/15/70/25/207157025.db2.gz UTXPBNJUIUAQGO-CZUORRHYSA-N 1 0 323.462 2.991 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](CC)[C@@H](C)C1 ZINC000611092496 399433683 /nfs/dbraw/zinc/43/36/83/399433683.db2.gz VVOIRFGVYWKWJW-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C ZINC000611084701 399432769 /nfs/dbraw/zinc/43/27/69/399432769.db2.gz LGTHCEQAFKKHDF-JTQLQIEISA-N 1 0 315.320 2.727 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C ZINC000611084580 399432928 /nfs/dbraw/zinc/43/29/28/399432928.db2.gz FQJFTDKKHFOQSZ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080809 399433058 /nfs/dbraw/zinc/43/30/58/399433058.db2.gz FDZAIMTXPYNGBQ-BHYGNILZSA-N 1 0 317.433 2.990 20 5 DFBDRO C[N@H+](CCNc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000061591087 184175830 /nfs/dbraw/zinc/17/58/30/184175830.db2.gz OIGQWPHNKRJWLY-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CCOC4)CC3)nc2c1 ZINC000611177460 399442241 /nfs/dbraw/zinc/44/22/41/399442241.db2.gz FKHDDRIRCJIGRQ-UHFFFAOYSA-N 1 0 317.345 2.739 20 5 DFBDRO C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCCC1 ZINC000611266579 399453572 /nfs/dbraw/zinc/45/35/72/399453572.db2.gz DGFGVUPSVVITLS-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000611225390 399447195 /nfs/dbraw/zinc/44/71/95/399447195.db2.gz PHZHJUFPTOTZPH-NWDGAFQWSA-N 1 0 318.377 2.651 20 5 DFBDRO CC(C)C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC1 ZINC000611257190 399452326 /nfs/dbraw/zinc/45/23/26/399452326.db2.gz QJBWJKGCNDBBPN-UHFFFAOYSA-N 1 0 306.362 2.986 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCSCC3)C2)nc1 ZINC000602472115 399452792 /nfs/dbraw/zinc/45/27/92/399452792.db2.gz GURXQHXRAFDNHR-ZDUSSCGKSA-N 1 0 322.434 2.619 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH+]1C[C@H]3CCC[C@@H]3C1)OCCO2 ZINC000611272007 399455432 /nfs/dbraw/zinc/45/54/32/399455432.db2.gz SQEIFZREIZHKFO-VXGBXAGGSA-N 1 0 304.346 2.598 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602474566 399455421 /nfs/dbraw/zinc/45/54/21/399455421.db2.gz YWTBFTKRZCUVHI-KRWDZBQOSA-N 1 0 314.389 2.882 20 5 DFBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478976 399457031 /nfs/dbraw/zinc/45/70/31/399457031.db2.gz WHCUEYLTJIIHPL-AAEUAGOBSA-N 1 0 318.352 2.845 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCCO2)cc1Br ZINC000602497856 399461117 /nfs/dbraw/zinc/46/11/17/399461117.db2.gz DEQVWOKUEJMXGJ-ZETCQYMHSA-N 1 0 321.196 2.687 20 5 DFBDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000611327185 399462779 /nfs/dbraw/zinc/46/27/79/399462779.db2.gz OAVPOWXMUSZXOX-GFCCVEGCSA-N 1 0 314.345 2.588 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCOC1 ZINC000602508297 399463179 /nfs/dbraw/zinc/46/31/79/399463179.db2.gz AXRJMJLCYSFGFL-VIFPVBQESA-N 1 0 304.268 2.740 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000064558876 184299524 /nfs/dbraw/zinc/29/95/24/184299524.db2.gz DBYSUDUIEPTNKG-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269144490 207273242 /nfs/dbraw/zinc/27/32/42/207273242.db2.gz BSEZVRKRWBTPRE-UHFFFAOYSA-N 1 0 305.334 2.588 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000063703877 184286740 /nfs/dbraw/zinc/28/67/40/184286740.db2.gz IPSIMKRWDSFFSH-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC1CCCC1 ZINC000064021426 184291599 /nfs/dbraw/zinc/29/15/99/184291599.db2.gz FBCMUNVTHRIXKP-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000065223057 184314981 /nfs/dbraw/zinc/31/49/81/184314981.db2.gz SLYRZXYIZFKZOX-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO CCOC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]1 ZINC000602517300 399466485 /nfs/dbraw/zinc/46/64/85/399466485.db2.gz FXHYZPXKJHYCTM-NSHDSACASA-N 1 0 317.345 2.950 20 5 DFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602517237 399466510 /nfs/dbraw/zinc/46/65/10/399466510.db2.gz CWOGXLLQDIOAMR-YRGRVCCFSA-N 1 0 305.378 2.693 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525825 399468152 /nfs/dbraw/zinc/46/81/52/399468152.db2.gz SFFADZOQUIRKTR-LBPRGKRZSA-N 1 0 318.377 2.558 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000611403923 399470858 /nfs/dbraw/zinc/47/08/58/399470858.db2.gz IEQSMAJZZMMNPX-OAHLLOKOSA-N 1 0 301.346 2.534 20 5 DFBDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602544532 399471646 /nfs/dbraw/zinc/47/16/46/399471646.db2.gz CMLGGGLSVWGARM-LBPRGKRZSA-N 1 0 306.284 2.720 20 5 DFBDRO CC[C@@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551295 399473642 /nfs/dbraw/zinc/47/36/42/399473642.db2.gz HTNGMFNXBCSNTO-ZETCQYMHSA-N 1 0 323.212 2.669 20 5 DFBDRO CC[C@H](CCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602551294 399474007 /nfs/dbraw/zinc/47/40/07/399474007.db2.gz HTNGMFNXBCSNTO-SSDOTTSWSA-N 1 0 323.212 2.669 20 5 DFBDRO Cn1cc(CCC[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000602558682 399475112 /nfs/dbraw/zinc/47/51/12/399475112.db2.gz CVUOQWYURVHOPY-UHFFFAOYSA-N 1 0 316.405 2.873 20 5 DFBDRO CO[C@@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000602561043 399475622 /nfs/dbraw/zinc/47/56/22/399475622.db2.gz PWKIRYNAMHCBOU-WBVHZDCISA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568228 399478604 /nfs/dbraw/zinc/47/86/04/399478604.db2.gz JUPRWVBICXUIMX-WDEREUQCSA-N 1 0 305.334 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCOC4(CCC4)C3)nc2c1 ZINC000602567567 399477866 /nfs/dbraw/zinc/47/78/66/399477866.db2.gz GUNVZGMGGDRVAN-LLVKDONJSA-N 1 0 317.345 2.927 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000611471332 399479593 /nfs/dbraw/zinc/47/95/93/399479593.db2.gz SKHLJPGVZNFOMS-STQMWFEESA-N 1 0 300.362 2.765 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611475956 399479938 /nfs/dbraw/zinc/47/99/38/399479938.db2.gz ZWQTXBNGKXWIKF-VNHYZAJKSA-N 1 0 321.421 2.984 20 5 DFBDRO CO[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000602580353 399481459 /nfs/dbraw/zinc/48/14/59/399481459.db2.gz MGLMFROATLKYEJ-GOSISDBHSA-N 1 0 314.385 2.985 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1(C[NH3+])CCCCC1 ZINC000602600715 399487129 /nfs/dbraw/zinc/48/71/29/399487129.db2.gz IJQBOPCUTUMBDX-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000602597806 399487454 /nfs/dbraw/zinc/48/74/54/399487454.db2.gz FMCGMKKTUFOINW-MQMHXKEQSA-N 1 0 319.405 2.966 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000602605271 399487869 /nfs/dbraw/zinc/48/78/69/399487869.db2.gz XTHBNOSLYGLYHV-XYPYZODXSA-N 1 0 323.418 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCO[C@@H](C4CC4)C3)nc2c1 ZINC000602616483 399491632 /nfs/dbraw/zinc/49/16/32/399491632.db2.gz JDVAZADVCLQMLI-XHDPSFHLSA-N 1 0 317.345 2.783 20 5 DFBDRO CO[C@@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602629005 399495887 /nfs/dbraw/zinc/49/58/87/399495887.db2.gz ZMIBCUMNCCINKJ-LURJTMIESA-N 1 0 309.185 2.543 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611580516 399496135 /nfs/dbraw/zinc/49/61/35/399496135.db2.gz XDKDZFOMUMIZRO-ZDUSSCGKSA-N 1 0 300.305 2.841 20 5 DFBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000602631742 399496416 /nfs/dbraw/zinc/49/64/16/399496416.db2.gz RIIFZQPSPNWVLC-UHFFFAOYSA-N 1 0 305.422 2.849 20 5 DFBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000602638800 399499490 /nfs/dbraw/zinc/49/94/90/399499490.db2.gz XCDTXKLJMLATOH-SNVBAGLBSA-N 1 0 304.350 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000114562495 194671445 /nfs/dbraw/zinc/67/14/45/194671445.db2.gz HNJOKXFLQMMSDK-KRWDZBQOSA-N 1 0 303.406 2.698 20 5 DFBDRO COc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000293111168 532959155 /nfs/dbraw/zinc/95/91/55/532959155.db2.gz QFEIRUADXPAUTI-GFCCVEGCSA-N 1 0 323.368 2.665 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000611707728 399508801 /nfs/dbraw/zinc/50/88/01/399508801.db2.gz KVRRLBYVWGSKKL-GHMZBOCLSA-N 1 0 313.361 2.575 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000422843631 296343504 /nfs/dbraw/zinc/34/35/04/296343504.db2.gz IZVDRLKARMATEQ-GXFFZTMASA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000422843342 296342947 /nfs/dbraw/zinc/34/29/47/296342947.db2.gz HYRZZYBMOFZMDH-HNNXBMFYSA-N 1 0 319.405 2.849 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000422849729 296344717 /nfs/dbraw/zinc/34/47/17/296344717.db2.gz CLFGNWMQPYNSLL-MRXNPFEDSA-N 1 0 307.394 2.821 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000408171339 291825943 /nfs/dbraw/zinc/82/59/43/291825943.db2.gz IBVRCJWLTNQTJT-HNNXBMFYSA-N 1 0 318.421 2.775 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCO1 ZINC000119723027 195025532 /nfs/dbraw/zinc/02/55/32/195025532.db2.gz HXTHVOTZWXNRET-HUUCEWRRSA-N 1 0 322.361 2.509 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347413336 285041766 /nfs/dbraw/zinc/04/17/66/285041766.db2.gz UBMQHFVSTMQYGQ-DGCLKSJQSA-N 1 0 315.377 2.679 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000422896263 296352201 /nfs/dbraw/zinc/35/22/01/296352201.db2.gz HYSFIQRIWFDDEK-CQSZACIVSA-N 1 0 321.421 2.965 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000119882870 195054385 /nfs/dbraw/zinc/05/43/85/195054385.db2.gz QXOWPXXYAQLIMF-GFCCVEGCSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119966564 195071836 /nfs/dbraw/zinc/07/18/36/195071836.db2.gz GYPZZKIRYJKJLR-GFCCVEGCSA-N 1 0 323.418 2.669 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCC1(CO)CC1 ZINC000602683107 399519348 /nfs/dbraw/zinc/51/93/48/399519348.db2.gz IELVAIGCQGMZOC-UHFFFAOYSA-N 1 0 318.295 2.866 20 5 DFBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H](CO)CC(C)(C)C ZINC000602684688 399519840 /nfs/dbraw/zinc/51/98/40/399519840.db2.gz QUGVCOUWJPRZMW-LBPRGKRZSA-N 1 0 321.377 2.965 20 5 DFBDRO CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000422948256 296359763 /nfs/dbraw/zinc/35/97/63/296359763.db2.gz ROIHLFRVMGSWQI-KGLIPLIRSA-N 1 0 307.394 2.614 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602692270 399523522 /nfs/dbraw/zinc/52/35/22/399523522.db2.gz XHWDXBZRHBOBHE-SNVBAGLBSA-N 1 0 305.334 2.783 20 5 DFBDRO CC[NH+](CC)Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000273148178 210526657 /nfs/dbraw/zinc/52/66/57/210526657.db2.gz GXZVANKQQPDKJR-UHFFFAOYSA-N 1 0 315.377 2.839 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]CCOc2ccccc2[N+](=O)[O-])ccn1 ZINC000347568055 285081060 /nfs/dbraw/zinc/08/10/60/285081060.db2.gz XXAPLKWAAPODBJ-GFCCVEGCSA-N 1 0 317.345 2.728 20 5 DFBDRO CC[C@H](c1ccccc1OC)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000347571634 285083604 /nfs/dbraw/zinc/08/36/04/285083604.db2.gz YENNVMGZKIYHGH-CQSZACIVSA-N 1 0 318.377 2.883 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)c([N+](=O)[O-])n1 ZINC000602714552 399535428 /nfs/dbraw/zinc/53/54/28/399535428.db2.gz BKPXOPRAFBUPBW-CHWSQXEVSA-N 1 0 322.409 2.544 20 5 DFBDRO CC1(C)CC([NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602717032 399536557 /nfs/dbraw/zinc/53/65/57/399536557.db2.gz KNNJZAWDMWXTJV-UHFFFAOYSA-N 1 0 304.394 2.737 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000269406527 285091826 /nfs/dbraw/zinc/09/18/26/285091826.db2.gz VZWAESCTSUWYNF-GFCCVEGCSA-N 1 0 310.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000269406530 285091859 /nfs/dbraw/zinc/09/18/59/285091859.db2.gz VZWAESCTSUWYNF-LBPRGKRZSA-N 1 0 310.785 2.708 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[NH+]2CCC1CC2 ZINC000602752429 399556106 /nfs/dbraw/zinc/55/61/06/399556106.db2.gz PWTUTLAWPRJCAE-OAHLLOKOSA-N 1 0 309.797 2.774 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000347668145 285122656 /nfs/dbraw/zinc/12/26/56/285122656.db2.gz VBCMZVPKNGCXTB-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091503 296377063 /nfs/dbraw/zinc/37/70/63/296377063.db2.gz XIPIAJXIZVXQQA-NOZJJQNGSA-N 1 0 317.311 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H](O)C3)o2)cc1 ZINC000158760225 197298687 /nfs/dbraw/zinc/29/86/87/197298687.db2.gz GXQCZJUFPHZTBJ-CQSZACIVSA-N 1 0 302.330 2.812 20 5 DFBDRO COc1ccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641440 197290467 /nfs/dbraw/zinc/29/04/67/197290467.db2.gz ONRBCXOJFWUGSJ-CABCVRRESA-N 1 0 319.405 2.520 20 5 DFBDRO CC[N@@H+](CCc1cccs1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602765301 399561809 /nfs/dbraw/zinc/56/18/09/399561809.db2.gz JRKIVIACARRUTJ-UHFFFAOYSA-N 1 0 308.407 2.726 20 5 DFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(C)cc1 ZINC000602768563 399563504 /nfs/dbraw/zinc/56/35/04/399563504.db2.gz JXKJEFAASSXGTQ-UHFFFAOYSA-N 1 0 302.378 2.930 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([NH+]3CCCC3)CC1)CCN2 ZINC000302410832 285145978 /nfs/dbraw/zinc/14/59/78/285145978.db2.gz GWQUQFKLYRHOSO-UHFFFAOYSA-N 1 0 316.405 2.627 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NCC[NH+]1CCCCCC1)CCN2 ZINC000302423747 285146858 /nfs/dbraw/zinc/14/68/58/285146858.db2.gz JMIVQMCKNWALRZ-UHFFFAOYSA-N 1 0 304.394 2.851 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H](CCO)c2ccccc2)c1 ZINC000271660362 209102146 /nfs/dbraw/zinc/10/21/46/209102146.db2.gz KYBIMZXXWBIEPO-QGZVFWFLSA-N 1 0 316.357 2.687 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246859731 285159409 /nfs/dbraw/zinc/15/94/09/285159409.db2.gz SIZNCXGRBSWQQG-CFSAUIFESA-N 1 0 320.414 2.814 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000092756335 285160304 /nfs/dbraw/zinc/16/03/04/285160304.db2.gz ZDYRLTWBEMJNDX-BIENSFFJSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1csc([C@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)n1 ZINC000602807227 399583407 /nfs/dbraw/zinc/58/34/07/399583407.db2.gz WIYZGTGZNPSWIC-CYBMUJFWSA-N 1 0 321.406 2.606 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000423232866 296395429 /nfs/dbraw/zinc/39/54/29/296395429.db2.gz IWQJOVULYSMCAN-QWHCGFSZSA-N 1 0 309.435 2.807 20 5 DFBDRO COc1ccc(C)cc1[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840020 399597486 /nfs/dbraw/zinc/59/74/86/399597486.db2.gz GVZZJEBZPBVXBP-LBPRGKRZSA-N 1 0 318.377 2.768 20 5 DFBDRO Cc1n[nH]cc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271549636 209003097 /nfs/dbraw/zinc/00/30/97/209003097.db2.gz VPLMLFQKUDHUMK-HNNXBMFYSA-N 1 0 300.362 2.737 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156057943 197083460 /nfs/dbraw/zinc/08/34/60/197083460.db2.gz LRNQNJZNXXUMAJ-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000090549336 285220731 /nfs/dbraw/zinc/22/07/31/285220731.db2.gz SHNDBVZGJABJTI-QGZVFWFLSA-N 1 0 317.389 2.579 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000155603534 197071129 /nfs/dbraw/zinc/07/11/29/197071129.db2.gz CPISHBBSCMVAOV-MRXNPFEDSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000602868281 399609943 /nfs/dbraw/zinc/60/99/43/399609943.db2.gz VOYGZMVFQHLNHK-CYBMUJFWSA-N 1 0 314.389 2.762 20 5 DFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C(C)(C)C ZINC000602873029 399611482 /nfs/dbraw/zinc/61/14/82/399611482.db2.gz GQYZCVRWBBZEPM-INIZCTEOSA-N 1 0 321.421 2.636 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602883889 399615182 /nfs/dbraw/zinc/61/51/82/399615182.db2.gz YRJDXCUQIIWTRJ-CYBMUJFWSA-N 1 0 302.334 2.534 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000423526939 296426403 /nfs/dbraw/zinc/42/64/03/296426403.db2.gz LXDRSCOODYFRKW-YPMHNXCESA-N 1 0 305.378 2.528 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cncn2)CC1 ZINC000120601537 195199508 /nfs/dbraw/zinc/19/95/08/195199508.db2.gz QNOJBJZPONOAAB-LBPRGKRZSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(n2cncn2)CC1 ZINC000120601673 195200258 /nfs/dbraw/zinc/20/02/58/195200258.db2.gz QNOJBJZPONOAAB-GFCCVEGCSA-N 1 0 301.350 2.584 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423598264 296432202 /nfs/dbraw/zinc/43/22/02/296432202.db2.gz VYISYOHDTMOALV-OLZOCXBDSA-N 1 0 305.378 2.520 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423598066 296432210 /nfs/dbraw/zinc/43/22/10/296432210.db2.gz VKLGMACQVILIBY-QWRGUYRKSA-N 1 0 323.418 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000423617745 296434231 /nfs/dbraw/zinc/43/42/31/296434231.db2.gz TUZXBASHKOCVHH-RYUDHWBXSA-N 1 0 305.378 2.541 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000289664685 221139491 /nfs/dbraw/zinc/13/94/91/221139491.db2.gz MJWCHCMDMYHMSA-JTQLQIEISA-N 1 0 324.768 2.560 20 5 DFBDRO CC[C@@](C)([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602924647 399629418 /nfs/dbraw/zinc/62/94/18/399629418.db2.gz PDZDEQSDOAPEMF-OAHLLOKOSA-N 1 0 306.341 2.882 20 5 DFBDRO CCc1nc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cs1 ZINC000289712123 221172607 /nfs/dbraw/zinc/17/26/07/221172607.db2.gz GUBHHRVAROZVRX-UHFFFAOYSA-N 1 0 306.391 2.579 20 5 DFBDRO COc1ncccc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000289758325 221205910 /nfs/dbraw/zinc/20/59/10/221205910.db2.gz ITHNLGGJEFASHF-UHFFFAOYSA-N 1 0 321.764 2.984 20 5 DFBDRO C[C@@](CO)(NCc1ccc(Cl)cn1)c1cccc([N+](=O)[O-])c1 ZINC000602963692 399641400 /nfs/dbraw/zinc/64/14/00/399641400.db2.gz YMYSLEJYHPBADT-HNNXBMFYSA-N 1 0 321.764 2.641 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCO)(CCO)CC1 ZINC000602966911 399642389 /nfs/dbraw/zinc/64/23/89/399642389.db2.gz VHELMFNPWDKNEO-AWEZNQCLSA-N 1 0 322.405 2.503 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997511 399654346 /nfs/dbraw/zinc/65/43/46/399654346.db2.gz LUBVPJMTXYDJPX-YCPHGPKFSA-N 1 0 308.353 2.859 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000602997264 399654624 /nfs/dbraw/zinc/65/46/24/399654624.db2.gz GROANOISUPWCGJ-FMKPAKJESA-N 1 0 320.389 2.729 20 5 DFBDRO CC(C)(C)[C@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000603213839 399711898 /nfs/dbraw/zinc/71/18/98/399711898.db2.gz AQNREKHHWKPPIF-CYBMUJFWSA-N 1 0 323.784 2.934 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc(C2CC[NH2+]CC2)nn1 ZINC000603251943 399723072 /nfs/dbraw/zinc/72/30/72/399723072.db2.gz QLTHWBRJAFURDD-GFCCVEGCSA-N 1 0 315.377 2.571 20 5 DFBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118981032 542569496 /nfs/dbraw/zinc/56/94/96/542569496.db2.gz QZIJCLGMDDFNMO-FZMZJTMJSA-N 1 0 305.378 2.752 20 5 DFBDRO Cc1c(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423792253 296448717 /nfs/dbraw/zinc/44/87/17/296448717.db2.gz BLBGTAQXNHRTBO-HUUCEWRRSA-N 1 0 319.405 2.817 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CSCC[NH2+]2)cc1C(F)(F)F ZINC000603418297 399772281 /nfs/dbraw/zinc/77/22/81/399772281.db2.gz FUJKKUTVIPUVFX-VIFPVBQESA-N 1 0 321.324 2.731 20 5 DFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407616 399768137 /nfs/dbraw/zinc/76/81/37/399768137.db2.gz HQMVFQCQGQBVSQ-UHFFFAOYSA-N 1 0 311.407 2.712 20 5 DFBDRO COc1ccc(CN2[C@@H](C)[C@H](C)CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000603432577 399774968 /nfs/dbraw/zinc/77/49/68/399774968.db2.gz IZBYUMXJPPLGKX-DYEKYZERSA-N 1 0 307.394 2.551 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423968836 296469856 /nfs/dbraw/zinc/46/98/56/296469856.db2.gz VGRIJLGBDDQVLD-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCC2CC2)CC1 ZINC000366656595 131312046 /nfs/dbraw/zinc/31/20/46/131312046.db2.gz YJGSWMQCXPVVFH-UHFFFAOYSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000424137318 296487095 /nfs/dbraw/zinc/48/70/95/296487095.db2.gz LTHAPHBXJRUEDJ-GXTWGEPZSA-N 1 0 319.405 2.953 20 5 DFBDRO COc1cc(N2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000201140541 542868206 /nfs/dbraw/zinc/86/82/06/542868206.db2.gz YZCVKASOHBQELE-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCC[C@H]2OC(F)F)c1 ZINC000348522309 285582758 /nfs/dbraw/zinc/58/27/58/285582758.db2.gz WQOIFUAPNFDKAR-QWHCGFSZSA-N 1 0 316.304 2.724 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348523018 285583551 /nfs/dbraw/zinc/58/35/51/285583551.db2.gz BBOCNGANPNVPOL-ZYHUDNBSSA-N 1 0 304.268 2.984 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348541724 285596840 /nfs/dbraw/zinc/59/68/40/285596840.db2.gz XZLSWNCLLQOHBN-JQWIXIFHSA-N 1 0 316.304 2.724 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302825735 543047578 /nfs/dbraw/zinc/04/75/78/543047578.db2.gz HCAAEQPMZRKYKQ-GFCCVEGCSA-N 1 0 304.394 2.849 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000364245037 292069805 /nfs/dbraw/zinc/06/98/05/292069805.db2.gz PDXLWIJMCBXIAN-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604556777 399855734 /nfs/dbraw/zinc/85/57/34/399855734.db2.gz JEPSDXVQRRSGQY-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000425257417 296562044 /nfs/dbraw/zinc/56/20/44/296562044.db2.gz QVNIMBLGFDYTJC-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805206 145204722 /nfs/dbraw/zinc/20/47/22/145204722.db2.gz KRJWDSHLINUQPD-OAHLLOKOSA-N 1 0 314.389 2.783 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000172952505 145325133 /nfs/dbraw/zinc/32/51/33/145325133.db2.gz HQZLQCKOUVINIY-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000174062500 145366426 /nfs/dbraw/zinc/36/64/26/145366426.db2.gz FDBOAHSTZQPUCZ-AVGNSLFASA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000186243344 145707398 /nfs/dbraw/zinc/70/73/98/145707398.db2.gz HWMRQRSYAZWVPT-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000237188252 146038337 /nfs/dbraw/zinc/03/83/37/146038337.db2.gz JTTFXXOVQNVVKV-UHFFFAOYSA-N 1 0 313.357 2.553 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000245669545 146091477 /nfs/dbraw/zinc/09/14/77/146091477.db2.gz CGEXYKPDMSBPTQ-WFASDCNBSA-N 1 0 318.377 2.543 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000246440586 146139290 /nfs/dbraw/zinc/13/92/90/146139290.db2.gz NVXITMHGSGXKEP-RISCZKNCSA-N 1 0 320.393 2.753 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000246670901 146148245 /nfs/dbraw/zinc/14/82/45/146148245.db2.gz LGUAOJUCLNLGFX-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000250430896 146211690 /nfs/dbraw/zinc/21/16/90/146211690.db2.gz ITSIMHYOYYPWHN-UKRRQHHQSA-N 1 0 319.405 2.894 20 5 DFBDRO [NH3+]C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1CCCC1 ZINC000261808051 146280116 /nfs/dbraw/zinc/28/01/16/146280116.db2.gz ZMKNTSCELSNNKN-JTQLQIEISA-N 1 0 307.379 2.529 20 5 DFBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000460361743 543395260 /nfs/dbraw/zinc/39/52/60/543395260.db2.gz IDHVZWJECQQUPQ-GJZGRUSLSA-N 1 0 319.405 2.998 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261989688 146316596 /nfs/dbraw/zinc/31/65/96/146316596.db2.gz SUGWCJVNFGAUHC-WCQYABFASA-N 1 0 300.362 2.707 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000262017989 146323502 /nfs/dbraw/zinc/32/35/02/146323502.db2.gz XGPIRHXRMPCANW-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000262045964 146326947 /nfs/dbraw/zinc/32/69/47/146326947.db2.gz CJFQRIZKXLQOOH-HRCADAONSA-N 1 0 303.406 2.995 20 5 DFBDRO C[C@@]1(CNc2c3ccccc3ncc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262113753 146335841 /nfs/dbraw/zinc/33/58/41/146335841.db2.gz JZSXZMVODMESQB-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000354351349 147005324 /nfs/dbraw/zinc/00/53/24/147005324.db2.gz CUOWQDXQWDKPRY-WDEREUQCSA-N 1 0 312.801 2.952 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383574 147015987 /nfs/dbraw/zinc/01/59/87/147015987.db2.gz AOFSBUGZYORIKW-DZGCQCFKSA-N 1 0 319.405 2.848 20 5 DFBDRO O=[N+]([O-])c1c(NCc2ccn3ccnc3c2)nc2sccn21 ZINC000354385106 147017653 /nfs/dbraw/zinc/01/76/53/147017653.db2.gz KMWJYJRGSHOCTB-UHFFFAOYSA-N 1 0 314.330 2.564 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354411987 147026779 /nfs/dbraw/zinc/02/67/79/147026779.db2.gz WNYIAEOERSBUIF-BXUZGUMPSA-N 1 0 323.368 2.679 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000354435495 147034463 /nfs/dbraw/zinc/03/44/63/147034463.db2.gz PIQCYJGHNMNZRM-ZYHUDNBSSA-N 1 0 311.407 2.601 20 5 DFBDRO CCC(CC)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354658483 147108313 /nfs/dbraw/zinc/10/83/13/147108313.db2.gz XARLNXNEFICRIJ-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1c([N+](=O)[O-])ncn1C ZINC000355329644 147267912 /nfs/dbraw/zinc/26/79/12/147267912.db2.gz AEWJDZSBSFBJKU-UHFFFAOYSA-N 1 0 320.368 2.922 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000355498514 147338676 /nfs/dbraw/zinc/33/86/76/147338676.db2.gz NSXHXYYMEXANQT-OMVNSRBRSA-N 1 0 322.430 2.798 20 5 DFBDRO COC(=O)COc1ccc(C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000355598238 147379096 /nfs/dbraw/zinc/37/90/96/147379096.db2.gz GFCWBMUABWSIGM-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO Cc1[nH]nc2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cc12 ZINC000356921292 147848549 /nfs/dbraw/zinc/84/85/49/147848549.db2.gz PFBFMFRMNOXJKD-UHFFFAOYSA-N 1 0 311.345 2.507 20 5 DFBDRO CC1=CCN(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000358132105 148254563 /nfs/dbraw/zinc/25/45/63/148254563.db2.gz GLSXPLXHEQNUKZ-GQCTYLIASA-N 1 0 301.390 2.850 20 5 DFBDRO CC1=CC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000358142906 148258131 /nfs/dbraw/zinc/25/81/31/148258131.db2.gz RVFQPOXMJPWBQG-UHFFFAOYSA-N 1 0 322.340 2.507 20 5 DFBDRO CCN1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000350288981 286025014 /nfs/dbraw/zinc/02/50/14/286025014.db2.gz PVSRIDYFDQRNRU-FZMZJTMJSA-N 1 0 311.813 2.721 20 5 DFBDRO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000343934732 286028727 /nfs/dbraw/zinc/02/87/27/286028727.db2.gz OGAJTSPTQXVHOV-KGLIPLIRSA-N 1 0 324.425 2.927 20 5 DFBDRO COc1ccsc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000425994044 296608328 /nfs/dbraw/zinc/60/83/28/296608328.db2.gz NYYQJDMBKPCVPZ-UHFFFAOYSA-N 1 0 322.390 2.699 20 5 DFBDRO CC(C)C[N@@H+](CCc1ccccc1)CCn1cc([N+](=O)[O-])cn1 ZINC000350702204 286075492 /nfs/dbraw/zinc/07/54/92/286075492.db2.gz PWVBYUPJUBOKRR-UHFFFAOYSA-N 1 0 316.405 2.992 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)c2cncc(F)c2)ccc1[N+](=O)[O-] ZINC000361122773 149033496 /nfs/dbraw/zinc/03/34/96/149033496.db2.gz ZJKBPHWOKDVAFB-JTQLQIEISA-N 1 0 305.309 2.988 20 5 DFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000361206998 149054359 /nfs/dbraw/zinc/05/43/59/149054359.db2.gz OZNJYGFYRRZQSW-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCCC2=O)cc1[N+](=O)[O-] ZINC000361216036 149057372 /nfs/dbraw/zinc/05/73/72/149057372.db2.gz LFVSZBKIDABGNG-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361438050 149115670 /nfs/dbraw/zinc/11/56/70/149115670.db2.gz TWIIGEKQFPJURQ-DYVFJYSZSA-N 1 0 320.389 2.926 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000361438049 149115953 /nfs/dbraw/zinc/11/59/53/149115953.db2.gz TWIIGEKQFPJURQ-CXAGYDPISA-N 1 0 320.389 2.926 20 5 DFBDRO Cc1ccc(CN(CCO)Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000361510990 149135746 /nfs/dbraw/zinc/13/57/46/149135746.db2.gz NOAFWUATBBJQJX-UHFFFAOYSA-N 1 0 304.346 2.799 20 5 DFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000362756815 149360167 /nfs/dbraw/zinc/36/01/67/149360167.db2.gz PLYYUOWTHKFKSV-MNOVXSKESA-N 1 0 323.418 2.529 20 5 DFBDRO CSc1cccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1[N+](=O)[O-] ZINC000362893716 149391161 /nfs/dbraw/zinc/39/11/61/149391161.db2.gz OBDDSUHIZNDCLG-PWSUYJOCSA-N 1 0 323.418 2.529 20 5 DFBDRO CSc1cccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000362893714 149391381 /nfs/dbraw/zinc/39/13/81/149391381.db2.gz OBDDSUHIZNDCLG-CMPLNLGQSA-N 1 0 323.418 2.529 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351502304 286137706 /nfs/dbraw/zinc/13/77/06/286137706.db2.gz ZVJNFDPLHKCYEV-VBNZEHGJSA-N 1 0 319.405 2.551 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000370737035 149975139 /nfs/dbraw/zinc/97/51/39/149975139.db2.gz HNACWAMNJZYYGE-MRXNPFEDSA-N 1 0 306.362 2.619 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000371307305 150019114 /nfs/dbraw/zinc/01/91/14/150019114.db2.gz CTAQALCHIPSSAC-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO O=C(C[N@@H+]1CCCC12CCC2)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000373096483 150230409 /nfs/dbraw/zinc/23/04/09/150230409.db2.gz DFSNTHFESXLEKQ-UHFFFAOYSA-N 1 0 315.373 2.502 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374214332 150323967 /nfs/dbraw/zinc/32/39/67/150323967.db2.gz XIUNHGDPDPFRHM-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000351738038 286206876 /nfs/dbraw/zinc/20/68/76/286206876.db2.gz VJCXALZIWVVSJQ-VHSXEESVSA-N 1 0 300.305 2.778 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@@H]3COCC[C@H]32)c(F)c1 ZINC000351881549 286236277 /nfs/dbraw/zinc/23/62/77/286236277.db2.gz NCYNECCJZIWCMB-MEBBXXQBSA-N 1 0 312.316 2.874 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000373767846 286249516 /nfs/dbraw/zinc/24/95/16/286249516.db2.gz CKBHSJSXEMRPIJ-LSDHHAIUSA-N 1 0 306.362 2.747 20 5 DFBDRO COc1cc(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351937296 286250233 /nfs/dbraw/zinc/25/02/33/286250233.db2.gz POIJOIDTNSVCDN-ZFWWWQNUSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493240834 299742306 /nfs/dbraw/zinc/74/23/06/299742306.db2.gz QJWODFGZBBLSRL-VSKVDJIOSA-N 1 0 323.368 2.579 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000352050279 286279930 /nfs/dbraw/zinc/27/99/30/286279930.db2.gz YYTLPMYRANUUSS-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CO)c2ccsc2)cc1 ZINC000352034192 286275598 /nfs/dbraw/zinc/27/55/98/286275598.db2.gz ZAAPDFFQMOLAAE-HNNXBMFYSA-N 1 0 322.386 2.748 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CSC[C@H]1C ZINC000352789649 286468482 /nfs/dbraw/zinc/46/84/82/286468482.db2.gz CQRNEJIUPWBDSI-RISCZKNCSA-N 1 0 323.418 2.573 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000352793874 286469760 /nfs/dbraw/zinc/46/97/60/286469760.db2.gz QLVQDENVWUSMCU-BXUZGUMPSA-N 1 0 323.418 2.573 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cn[nH]c3)o2)cc1 ZINC000353239749 286588168 /nfs/dbraw/zinc/58/81/68/286588168.db2.gz IFWWMGVBNKPDPB-UHFFFAOYSA-N 1 0 312.329 2.910 20 5 DFBDRO O=C(C[NH2+][C@@H]1CCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000353241765 286588679 /nfs/dbraw/zinc/58/86/79/286588679.db2.gz GJADCDZSUWMJKA-CQSZACIVSA-N 1 0 303.362 2.846 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000182723088 158007404 /nfs/dbraw/zinc/00/74/04/158007404.db2.gz NFXHIWWECSPCJP-ZDUSSCGKSA-N 1 0 315.377 2.893 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000183329479 158016424 /nfs/dbraw/zinc/01/64/24/158016424.db2.gz VIKMOSCBDHDDRR-MRXNPFEDSA-N 1 0 300.362 2.974 20 5 DFBDRO CC[C@H](C)C[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000247741643 158149712 /nfs/dbraw/zinc/14/97/12/158149712.db2.gz WZVNPBJXCZVVGG-NWDGAFQWSA-N 1 0 323.393 2.908 20 5 DFBDRO Cc1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985025 158155083 /nfs/dbraw/zinc/15/50/83/158155083.db2.gz ITHCTBLYGZHUCR-RDJZCZTQSA-N 1 0 303.406 2.819 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000248177168 158164623 /nfs/dbraw/zinc/16/46/23/158164623.db2.gz VTJPNLIZZDOSQQ-YOEHRIQHSA-N 1 0 320.389 2.601 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000248415526 158173772 /nfs/dbraw/zinc/17/37/72/158173772.db2.gz HZZFGBNYVWQULD-UGFHNGPFSA-N 1 0 317.389 2.704 20 5 DFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248446803 158177723 /nfs/dbraw/zinc/17/77/23/158177723.db2.gz GZVHQFIRANHBRG-QWHCGFSZSA-N 1 0 320.345 2.621 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000248465956 158178456 /nfs/dbraw/zinc/17/84/56/158178456.db2.gz RZBAXYFLHQCDFS-KGLIPLIRSA-N 1 0 310.394 2.701 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252551636 158205935 /nfs/dbraw/zinc/20/59/35/158205935.db2.gz PUCNCOZQGPEPCS-WDEREUQCSA-N 1 0 311.769 2.523 20 5 DFBDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000357029076 158351929 /nfs/dbraw/zinc/35/19/29/158351929.db2.gz VXTHSBMFBAIYFC-GFCCVEGCSA-N 1 0 305.378 2.678 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357053433 158356760 /nfs/dbraw/zinc/35/67/60/158356760.db2.gz PQXLJBKXFBBZIU-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372409511 158687978 /nfs/dbraw/zinc/68/79/78/158687978.db2.gz SJZKELPTOIWJPF-UONOGXRCSA-N 1 0 319.405 2.860 20 5 DFBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430212189 296777794 /nfs/dbraw/zinc/77/77/94/296777794.db2.gz LIWDIQWSOSJBQV-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO CC[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281218601 286904996 /nfs/dbraw/zinc/90/49/96/286904996.db2.gz ZIWGSDMUVOTFJF-SZNDQCEHSA-N 1 0 310.419 2.937 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129207931 196029203 /nfs/dbraw/zinc/02/92/03/196029203.db2.gz IPIPRHGSXBKUQL-CYBMUJFWSA-N 1 0 320.393 2.627 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053364854 425887694 /nfs/dbraw/zinc/88/76/94/425887694.db2.gz FRTPBXHIWBBKKI-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO C[NH2+]C[C@@H](C)CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000129525814 196055334 /nfs/dbraw/zinc/05/53/34/196055334.db2.gz WAZNXXGMZVRFPF-MRVPVSSYSA-N 1 0 302.172 2.625 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000129722707 196070793 /nfs/dbraw/zinc/07/07/93/196070793.db2.gz HGFOEHINYWNUHE-YGRLFVJLSA-N 1 0 311.357 2.883 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000129763703 196073551 /nfs/dbraw/zinc/07/35/51/196073551.db2.gz FAAKSFAICMAKAK-MFKMUULPSA-N 1 0 308.338 2.644 20 5 DFBDRO CC(C)[N@H+](C)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000054128184 425889369 /nfs/dbraw/zinc/88/93/69/425889369.db2.gz SMBSSFDNWIBLDE-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000131182626 196147708 /nfs/dbraw/zinc/14/77/08/196147708.db2.gz VLDWMWQAHNWJCC-AWEZNQCLSA-N 1 0 319.386 2.655 20 5 DFBDRO CC[C@H]([NH2+][C@H](COC)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000433005344 296894636 /nfs/dbraw/zinc/89/46/36/296894636.db2.gz BJAPBSKYQGFZBW-ARFHVFGLSA-N 1 0 308.378 2.830 20 5 DFBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1 ZINC000134265715 196374718 /nfs/dbraw/zinc/37/47/18/196374718.db2.gz QPRIQFQFYXSYBF-HNNXBMFYSA-N 1 0 314.389 2.917 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c2nonc21 ZINC000295911787 225369624 /nfs/dbraw/zinc/36/96/24/225369624.db2.gz FUOFAXCEBPKKLU-UHFFFAOYSA-N 1 0 317.349 2.560 20 5 DFBDRO Cc1nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296568535 226003924 /nfs/dbraw/zinc/00/39/24/226003924.db2.gz QGUGLEHGXMLRPE-CQSZACIVSA-N 1 0 319.340 2.547 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000296694179 226131467 /nfs/dbraw/zinc/13/14/67/226131467.db2.gz MCTMDZHBNRIMNX-RDJZCZTQSA-N 1 0 314.341 2.611 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000291065471 222110708 /nfs/dbraw/zinc/11/07/08/222110708.db2.gz WQJJZAHWMRGYAH-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)cc2)cs1 ZINC000299656464 229308251 /nfs/dbraw/zinc/30/82/51/229308251.db2.gz UJJPQPCFJWBLKW-GFCCVEGCSA-N 1 0 324.377 2.736 20 5 DFBDRO Cc1cc(NCC2([N@H+](C)CCO)CCCCC2)ccc1[N+](=O)[O-] ZINC000301962311 230005588 /nfs/dbraw/zinc/00/55/88/230005588.db2.gz RLHJIXYSUDLRSJ-UHFFFAOYSA-N 1 0 321.421 2.942 20 5 DFBDRO Cc1cc(NCCc2ccnn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302134635 230113149 /nfs/dbraw/zinc/11/31/49/230113149.db2.gz DBGGLXPBAALWFI-UHFFFAOYSA-N 1 0 311.345 2.840 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000067612848 425911785 /nfs/dbraw/zinc/91/17/85/425911785.db2.gz DODQVFHBDAWNSH-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000029725913 425828219 /nfs/dbraw/zinc/82/82/19/425828219.db2.gz VUJJJZVFKDZXAK-MLGOLLRUSA-N 1 0 320.389 2.597 20 5 DFBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193214947 268062681 /nfs/dbraw/zinc/06/26/81/268062681.db2.gz SRMKUSPOHVAZBS-MRXNPFEDSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc(C(=O)NCC2([NH3+])CCCCCC2)cc([N+](=O)[O-])c1 ZINC000237721995 268159960 /nfs/dbraw/zinc/15/99/60/268159960.db2.gz XREVKSKELJXTQA-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000237869621 268160684 /nfs/dbraw/zinc/16/06/84/268160684.db2.gz UUHFDVOSSOBRTK-LSDHHAIUSA-N 1 0 305.378 2.509 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000237895812 268161598 /nfs/dbraw/zinc/16/15/98/268161598.db2.gz ANZWWUMCEDORAM-ZIAGYGMSSA-N 1 0 305.378 2.509 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000248368249 268165921 /nfs/dbraw/zinc/16/59/21/268165921.db2.gz UZBVSUJKVLRGBB-RTXFEEFZSA-N 1 0 305.378 2.961 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270777280 268215644 /nfs/dbraw/zinc/21/56/44/268215644.db2.gz GKXHNFWIIYUOIW-UHFFFAOYSA-N 1 0 313.785 2.660 20 5 DFBDRO Cc1cc(N2CCC(CCC[NH+](C)C)CC2)ncc1[N+](=O)[O-] ZINC000270977083 268243302 /nfs/dbraw/zinc/24/33/02/268243302.db2.gz REYVHGHYDRBJTF-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278880307 268268482 /nfs/dbraw/zinc/26/84/82/268268482.db2.gz TUFJUSCOHWGNMT-GWCFXTLKSA-N 1 0 318.295 2.903 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000292635737 268287175 /nfs/dbraw/zinc/28/71/75/268287175.db2.gz JVVGXGZBKAAYKO-CYBMUJFWSA-N 1 0 307.394 2.545 20 5 DFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+]1[C@H](C)CC[C@H]1C ZINC000298355654 268314449 /nfs/dbraw/zinc/31/44/49/268314449.db2.gz SZDFKSWVQXHJAC-UPJWGTAASA-N 1 0 317.389 2.745 20 5 DFBDRO Cc1ccc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301059656 268322315 /nfs/dbraw/zinc/32/23/15/268322315.db2.gz BHIULKYHOXDSMN-QGZVFWFLSA-N 1 0 320.437 2.587 20 5 DFBDRO [NH3+][C@@H]1CN(c2c(F)cccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000318936382 268346230 /nfs/dbraw/zinc/34/62/30/268346230.db2.gz VQFNBUNHEKBBGJ-GXTWGEPZSA-N 1 0 301.321 2.665 20 5 DFBDRO [NH3+][C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000318949493 268346412 /nfs/dbraw/zinc/34/64/12/268346412.db2.gz AUSZYIWOOWANNH-UONOGXRCSA-N 1 0 301.321 2.665 20 5 DFBDRO COc1cccc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1[N+](=O)[O-] ZINC000324317997 268350863 /nfs/dbraw/zinc/35/08/63/268350863.db2.gz UCSUXXAQFIJNDM-UONOGXRCSA-N 1 0 313.357 2.535 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCCC[C@H](C)C1 ZINC000332277674 268359542 /nfs/dbraw/zinc/35/95/42/268359542.db2.gz DDSWYKSGOBEIOH-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000049946382 425881048 /nfs/dbraw/zinc/88/10/48/425881048.db2.gz YJMZCLCDLNYKAI-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO COc1ccc(C[N@H+](CCCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000106934518 425981594 /nfs/dbraw/zinc/98/15/94/425981594.db2.gz CQYSLXRLBCBYGG-UHFFFAOYSA-N 1 0 310.394 2.834 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000125593748 425982007 /nfs/dbraw/zinc/98/20/07/425982007.db2.gz NPBYXIUMOZIGMY-CYBMUJFWSA-N 1 0 317.389 2.684 20 5 DFBDRO Cc1sc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000103976406 425956768 /nfs/dbraw/zinc/95/67/68/425956768.db2.gz JAGDXUDDOHBFPB-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000126535709 426024676 /nfs/dbraw/zinc/02/46/76/426024676.db2.gz HQIOATRGNYWZBC-QWHCGFSZSA-N 1 0 305.378 2.565 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000126620519 426029086 /nfs/dbraw/zinc/02/90/86/426029086.db2.gz FZCFPBAONQTASJ-ZFWWWQNUSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000162485944 426066491 /nfs/dbraw/zinc/06/64/91/426066491.db2.gz KFNIFVBVPMNTTQ-UHFFFAOYSA-N 1 0 308.382 2.707 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000072620795 426018118 /nfs/dbraw/zinc/01/81/18/426018118.db2.gz ONUXUTHJTVXXCW-NSHDSACASA-N 1 0 313.423 2.897 20 5 DFBDRO CN(CCc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860345 426088001 /nfs/dbraw/zinc/08/80/01/426088001.db2.gz IKEJFTSZYOTUBY-INIZCTEOSA-N 1 0 305.422 2.944 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000075954750 426091674 /nfs/dbraw/zinc/09/16/74/426091674.db2.gz MAAPPTMLDXQNTI-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000163513790 426102445 /nfs/dbraw/zinc/10/24/45/426102445.db2.gz KQUVXVXAGXRHSO-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000113198761 426106063 /nfs/dbraw/zinc/10/60/63/426106063.db2.gz RDJUSLARYHHGLZ-CYBMUJFWSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1sc(C(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000076249635 426106272 /nfs/dbraw/zinc/10/62/72/426106272.db2.gz ZDTFYTAUQCVIHX-UHFFFAOYSA-N 1 0 311.407 2.571 20 5 DFBDRO CC[C@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312234 426111763 /nfs/dbraw/zinc/11/17/63/426111763.db2.gz CMPPRWPUKBODCY-LLVKDONJSA-N 1 0 307.375 2.579 20 5 DFBDRO COCCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312169 426111824 /nfs/dbraw/zinc/11/18/24/426111824.db2.gz HPYHNPCPNXNLPM-UHFFFAOYSA-N 1 0 307.375 2.844 20 5 DFBDRO CC1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)COC1 ZINC000113342861 426112741 /nfs/dbraw/zinc/11/27/41/426112741.db2.gz GFDZWUAXNLRADJ-UHFFFAOYSA-N 1 0 319.386 2.844 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000076489731 426112997 /nfs/dbraw/zinc/11/29/97/426112997.db2.gz FOABYYKUPCKHAF-CZUORRHYSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166495351 426128214 /nfs/dbraw/zinc/12/82/14/426128214.db2.gz KATSUYNSRRQHSZ-WQVCFCJDSA-N 1 0 308.378 2.830 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000168294952 426134401 /nfs/dbraw/zinc/13/44/01/426134401.db2.gz QBDGHSMPCBDUHR-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)cccc1[N+](=O)[O-] ZINC000168303942 426134666 /nfs/dbraw/zinc/13/46/66/426134666.db2.gz HBIUYYGPRKMNNW-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@@H](C[NH+](C)C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000168965922 426136646 /nfs/dbraw/zinc/13/66/46/426136646.db2.gz WTTBDWRTMFMUIT-QMMMGPOBSA-N 1 0 302.172 2.719 20 5 DFBDRO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000075611030 426078638 /nfs/dbraw/zinc/07/86/38/426078638.db2.gz MIAFXVBXCLMASM-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CC1 ZINC000114724121 426142946 /nfs/dbraw/zinc/14/29/46/426142946.db2.gz AXNKLFYORYSIER-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO C[C@H]([NH2+][C@H](CO)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000130262229 426152417 /nfs/dbraw/zinc/15/24/17/426152417.db2.gz OSELUDRVFYCBFK-BBRMVZONSA-N 1 0 300.358 2.849 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116126762 426179957 /nfs/dbraw/zinc/17/99/57/426179957.db2.gz BMHXJUNMRCXVDW-CQSZACIVSA-N 1 0 307.394 2.691 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116128540 426181077 /nfs/dbraw/zinc/18/10/77/426181077.db2.gz BFBVFNHXCIOFKJ-AWEZNQCLSA-N 1 0 307.394 2.691 20 5 DFBDRO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000133608204 426182902 /nfs/dbraw/zinc/18/29/02/426182902.db2.gz BLHDJZBTWHKNCS-AAEUAGOBSA-N 1 0 323.368 2.663 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000135593131 426223584 /nfs/dbraw/zinc/22/35/84/426223584.db2.gz DVPBKJGGCRONBM-HNNXBMFYSA-N 1 0 300.362 2.838 20 5 DFBDRO C[N@H+](CCOc1ccccc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136808671 426247342 /nfs/dbraw/zinc/24/73/42/426247342.db2.gz AJFBLBBMLCRMQE-KRWDZBQOSA-N 1 0 316.357 2.639 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000137076898 426250533 /nfs/dbraw/zinc/25/05/33/426250533.db2.gz TYNWFFYSNKFGLN-GHMZBOCLSA-N 1 0 323.780 2.557 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H](C)[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000174228727 426253120 /nfs/dbraw/zinc/25/31/20/426253120.db2.gz LCKZZMWEJZQZHZ-GFCCVEGCSA-N 1 0 307.394 2.617 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000142083569 426257683 /nfs/dbraw/zinc/25/76/83/426257683.db2.gz KOJKCZIGIMXGBH-WOPDTQHZSA-N 1 0 323.393 2.955 20 5 DFBDRO Cc1nn(C)c(NC[C@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000119073469 426260411 /nfs/dbraw/zinc/26/04/11/426260411.db2.gz UGDJAPUBJZHTSE-CYBMUJFWSA-N 1 0 309.414 2.559 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150763945 426260449 /nfs/dbraw/zinc/26/04/49/426260449.db2.gz HQOVAOFZQZNMLM-OAHLLOKOSA-N 1 0 317.389 2.685 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119087106 426261961 /nfs/dbraw/zinc/26/19/61/426261961.db2.gz JCJXZFSBYOGSCB-DZGCQCFKSA-N 1 0 308.378 2.749 20 5 DFBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)cc1 ZINC000174813614 426267197 /nfs/dbraw/zinc/26/71/97/426267197.db2.gz WPCRCPXWNKQHKC-INIZCTEOSA-N 1 0 316.361 2.541 20 5 DFBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000117348959 426213194 /nfs/dbraw/zinc/21/31/94/426213194.db2.gz CZSAYLHMGDWTPV-CQSZACIVSA-N 1 0 305.378 2.704 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171807590 426213931 /nfs/dbraw/zinc/21/39/31/426213931.db2.gz NQPKZMLGKMTIEF-LLVKDONJSA-N 1 0 324.768 2.560 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(COC)CC1 ZINC000175227996 426289000 /nfs/dbraw/zinc/28/90/00/426289000.db2.gz UUAQYESRPPPKKL-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](COC)C1 ZINC000175230604 426289702 /nfs/dbraw/zinc/28/97/02/426289702.db2.gz UNHROHWBCHUWTA-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO CC(C)CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119577339 426298584 /nfs/dbraw/zinc/29/85/84/426298584.db2.gz XKRMTZZHUIPBMM-AWEZNQCLSA-N 1 0 308.378 2.721 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000175453173 426306121 /nfs/dbraw/zinc/30/61/21/426306121.db2.gz NLOLZYZIRWXJEV-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC000151819974 426314175 /nfs/dbraw/zinc/31/41/75/426314175.db2.gz SXNGYRQJIXYKNX-XHSDSOJGSA-N 1 0 304.390 2.931 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000175612527 426318507 /nfs/dbraw/zinc/31/85/07/426318507.db2.gz DWPJBPUSRKRANF-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090177842 426324855 /nfs/dbraw/zinc/32/48/55/426324855.db2.gz MJQDKBWUWXURCH-YPMHNXCESA-N 1 0 305.378 2.645 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000121345204 426336668 /nfs/dbraw/zinc/33/66/68/426336668.db2.gz TYKOITWCWLBWFB-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@](O)(C(F)(F)F)C1 ZINC000119297979 426276509 /nfs/dbraw/zinc/27/65/09/426276509.db2.gz HXXXUYRCFUWUER-LLVKDONJSA-N 1 0 324.686 2.747 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)ccc1[N+](=O)[O-] ZINC000339729637 268875612 /nfs/dbraw/zinc/87/56/12/268875612.db2.gz JNICUBUHBMSFTA-INIZCTEOSA-N 1 0 322.405 2.880 20 5 DFBDRO CSC[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000153676120 426399062 /nfs/dbraw/zinc/39/90/62/426399062.db2.gz DIJKNFLCCUHANJ-IUODEOHRSA-N 1 0 312.435 2.620 20 5 DFBDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122879078 426400699 /nfs/dbraw/zinc/40/06/99/426400699.db2.gz IQWVMTBTLRLXFO-UHFFFAOYSA-N 1 0 319.405 2.722 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)CC(F)(F)F ZINC000339794696 268891725 /nfs/dbraw/zinc/89/17/25/268891725.db2.gz KMKCFTKSISRWRS-MZBZXASESA-N 1 0 304.268 2.511 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000152538674 426345696 /nfs/dbraw/zinc/34/56/96/426345696.db2.gz HOZHWDLWIXREHG-CYBMUJFWSA-N 1 0 317.389 2.684 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000152876708 426358708 /nfs/dbraw/zinc/35/87/08/426358708.db2.gz DYHDXEAESZROGN-LSDHHAIUSA-N 1 0 319.405 2.849 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](c2ccccc2)C2CCC2)n1 ZINC000176230861 426362330 /nfs/dbraw/zinc/36/23/30/426362330.db2.gz QDXGCQBWUWFNTD-MRXNPFEDSA-N 1 0 300.362 2.922 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153222967 426375898 /nfs/dbraw/zinc/37/58/98/426375898.db2.gz ZPFCPGNUKPUGPS-RWMBFGLXSA-N 1 0 303.362 2.654 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000153209692 426376264 /nfs/dbraw/zinc/37/62/64/426376264.db2.gz CZKSWXFZPYNAJW-TZMCWYRMSA-N 1 0 307.394 2.738 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000123179486 426418820 /nfs/dbraw/zinc/41/88/20/426418820.db2.gz ALAJSEBYTWMLHZ-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000154357099 426437849 /nfs/dbraw/zinc/43/78/49/426437849.db2.gz XXJJPMCZCDCLEY-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000154430128 426440235 /nfs/dbraw/zinc/44/02/35/426440235.db2.gz YCDXUYRBGWRNTK-XHSDSOJGSA-N 1 0 322.430 2.988 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341061853 269036952 /nfs/dbraw/zinc/03/69/52/269036952.db2.gz OYOKSWARCPDNSJ-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000341151833 269048621 /nfs/dbraw/zinc/04/86/21/269048621.db2.gz ZYVMRYLPRGNFQD-QGZVFWFLSA-N 1 0 303.406 2.698 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@H]1OC ZINC000341264713 269055420 /nfs/dbraw/zinc/05/54/20/269055420.db2.gz PXYYESMDYRZMDR-IUODEOHRSA-N 1 0 308.378 2.898 20 5 DFBDRO CS[C@@H]1CCCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154663379 426449385 /nfs/dbraw/zinc/44/93/85/426449385.db2.gz WJQVJFXOXDEXEX-CABCVRRESA-N 1 0 310.419 2.846 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467281 /nfs/dbraw/zinc/46/72/81/426467281.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 1 0 303.406 2.962 20 5 DFBDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101912784 426486961 /nfs/dbraw/zinc/48/69/61/426486961.db2.gz TYQHZYKAEFTZLK-OAHLLOKOSA-N 1 0 319.405 2.723 20 5 DFBDRO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000195364770 426519861 /nfs/dbraw/zinc/51/98/61/426519861.db2.gz GCAPGCFVBZFTQQ-GFCCVEGCSA-N 1 0 317.389 2.646 20 5 DFBDRO CC[C@H](NC(=O)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177782108 426521201 /nfs/dbraw/zinc/52/12/01/426521201.db2.gz XUWDOACARWJBTR-HNNXBMFYSA-N 1 0 305.378 2.504 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000186450859 426529065 /nfs/dbraw/zinc/52/90/65/426529065.db2.gz MGSNOVAEOVFOLA-TZMCWYRMSA-N 1 0 321.377 2.785 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177881974 426534477 /nfs/dbraw/zinc/53/44/77/426534477.db2.gz KMDTYDAIZOBTDC-UTUOFQBUSA-N 1 0 321.377 2.661 20 5 DFBDRO C[C@H]([NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272481688 426536093 /nfs/dbraw/zinc/53/60/93/426536093.db2.gz CEMMHGQYXRDLMP-NHYWBVRUSA-N 1 0 300.362 2.806 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000264324099 426536288 /nfs/dbraw/zinc/53/62/88/426536288.db2.gz AITSUBXTYRYDEC-ZDUSSCGKSA-N 1 0 317.345 2.507 20 5 DFBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000186503603 426541231 /nfs/dbraw/zinc/54/12/31/426541231.db2.gz SCNBIKVKRLFKQP-HRLNJXSSSA-N 1 0 308.378 2.971 20 5 DFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000288854721 426542445 /nfs/dbraw/zinc/54/24/45/426542445.db2.gz PLOXBUKKFYFBHF-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCc1cnccn1 ZINC000272531847 426549494 /nfs/dbraw/zinc/54/94/94/426549494.db2.gz QYFXWEGOMGZRFX-ZDUSSCGKSA-N 1 0 300.362 2.929 20 5 DFBDRO Cc1ccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)cc1[N+](=O)[O-] ZINC000280341466 426553147 /nfs/dbraw/zinc/55/31/47/426553147.db2.gz SBZGBEAGBQCVQN-KRWDZBQOSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177584801 426497476 /nfs/dbraw/zinc/49/74/76/426497476.db2.gz HHSYEWGCPHEHOD-STQMWFEESA-N 1 0 305.378 2.506 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000264532612 426569200 /nfs/dbraw/zinc/56/92/00/426569200.db2.gz KAEQHYDXOYDALQ-NSHDSACASA-N 1 0 324.377 2.813 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178095349 426570527 /nfs/dbraw/zinc/57/05/27/426570527.db2.gz OLPQJYKGJODLFO-VXGBXAGGSA-N 1 0 307.394 2.857 20 5 DFBDRO CC1(C)CC[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000186662420 426574025 /nfs/dbraw/zinc/57/40/25/426574025.db2.gz WLEUJONOMRIRPQ-MRXNPFEDSA-N 1 0 319.405 2.674 20 5 DFBDRO CC1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)OCCO1 ZINC000273103450 426592503 /nfs/dbraw/zinc/59/25/03/426592503.db2.gz OZUMISWPONBGBI-ZDUSSCGKSA-N 1 0 324.352 2.709 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000265210105 426596476 /nfs/dbraw/zinc/59/64/76/426596476.db2.gz CXTKUJGYXWGBHS-HNNXBMFYSA-N 1 0 304.321 2.866 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCOCC1)C1CC1 ZINC000178278813 426597863 /nfs/dbraw/zinc/59/78/63/426597863.db2.gz VCHLLVWEPXIJQL-INIZCTEOSA-N 1 0 304.390 2.932 20 5 DFBDRO CCC(C)(C)[N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000265275168 426611066 /nfs/dbraw/zinc/61/10/66/426611066.db2.gz XXYCWBNBFSJEAF-UHFFFAOYSA-N 1 0 305.378 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC1([NH+](C)C)CCC1 ZINC000186942541 426611695 /nfs/dbraw/zinc/61/16/95/426611695.db2.gz UYLBDWJPEOZRKE-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000289260340 426615312 /nfs/dbraw/zinc/61/53/12/426615312.db2.gz FRAJRUQCKHYYHN-RHSMWYFYSA-N 1 0 303.406 2.962 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H](C)c1cccc(O)c1 ZINC000178375389 426618596 /nfs/dbraw/zinc/61/85/96/426618596.db2.gz IHSYOXIWKMRAQH-LBPRGKRZSA-N 1 0 304.350 2.580 20 5 DFBDRO COCC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000273276600 426634075 /nfs/dbraw/zinc/63/40/75/426634075.db2.gz NEGXHADJQBYFGQ-CYBMUJFWSA-N 1 0 320.345 2.934 20 5 DFBDRO CCC[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265480945 426644191 /nfs/dbraw/zinc/64/41/91/426644191.db2.gz CZUGAEJRWHBROI-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000265504685 426647078 /nfs/dbraw/zinc/64/70/78/426647078.db2.gz IXZZYMROPLWICX-UHFFFAOYSA-N 1 0 312.801 2.952 20 5 DFBDRO Cc1cc(NCC[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000234249568 426654400 /nfs/dbraw/zinc/65/44/00/426654400.db2.gz MWCKGVYUYZPYQB-UHFFFAOYSA-N 1 0 302.172 2.639 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000235303044 426657296 /nfs/dbraw/zinc/65/72/96/426657296.db2.gz JMOYUPCGQWEYSN-YUMQZZPRSA-N 1 0 304.272 2.561 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H](O)C(F)(F)F ZINC000273420949 426661951 /nfs/dbraw/zinc/66/19/51/426661951.db2.gz QSRJHDLAIVWFAZ-NEPJUHHUSA-N 1 0 306.284 2.695 20 5 DFBDRO Cc1c(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000289551224 426668247 /nfs/dbraw/zinc/66/82/47/426668247.db2.gz QDPQPUJXKRDZDG-LLVKDONJSA-N 1 0 308.382 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CCC3)o2)cc1 ZINC000178639541 426670136 /nfs/dbraw/zinc/67/01/36/426670136.db2.gz GIRXCVNXHKZXHD-UHFFFAOYSA-N 1 0 302.330 2.859 20 5 DFBDRO COc1ccc(CN[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000187565018 426672016 /nfs/dbraw/zinc/67/20/16/426672016.db2.gz YPNFAYHHUXBNBG-CQSZACIVSA-N 1 0 321.421 2.958 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178672100 426672600 /nfs/dbraw/zinc/67/26/00/426672600.db2.gz BIHULIPOQNEBDS-SWLSCSKDSA-N 1 0 307.394 2.891 20 5 DFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178690261 426676836 /nfs/dbraw/zinc/67/68/36/426676836.db2.gz QZBZEKAAYJURKI-QWHCGFSZSA-N 1 0 307.394 2.859 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273516583 426678724 /nfs/dbraw/zinc/67/87/24/426678724.db2.gz XSIMAMZXOYFBPX-UHFFFAOYSA-N 1 0 312.345 2.587 20 5 DFBDRO COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178447911 426630121 /nfs/dbraw/zinc/63/01/21/426630121.db2.gz AYQSLHQVEOADMI-MLGOLLRUSA-N 1 0 316.357 2.988 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H](c2cccs2)[NH+]2CCCC2)nc1 ZINC000273667207 426705244 /nfs/dbraw/zinc/70/52/44/426705244.db2.gz XCVPQAGRNKBOHK-LBPRGKRZSA-N 1 0 319.390 2.695 20 5 DFBDRO CC[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281218555 426707503 /nfs/dbraw/zinc/70/75/03/426707503.db2.gz ZIWGSDMUVOTFJF-QKKBWIMNSA-N 1 0 310.419 2.937 20 5 DFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCC[NH2+]C1CCCCCC1 ZINC000238104707 426708298 /nfs/dbraw/zinc/70/82/98/426708298.db2.gz XBOZFOAIAGLZEB-UHFFFAOYSA-N 1 0 319.405 2.566 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000290195903 426715135 /nfs/dbraw/zinc/71/51/35/426715135.db2.gz MYCNZAAPQRLLFA-ZDUSSCGKSA-N 1 0 321.421 2.682 20 5 DFBDRO COc1ccc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504399 426779438 /nfs/dbraw/zinc/77/94/38/426779438.db2.gz PHATXFWXXSKABE-GJZGRUSLSA-N 1 0 319.405 2.520 20 5 DFBDRO O=C(NCC[C@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178945090 426722821 /nfs/dbraw/zinc/72/28/21/426722821.db2.gz JMSDJACGVSBZNG-SNVBAGLBSA-N 1 0 319.386 2.539 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000188117879 426723818 /nfs/dbraw/zinc/72/38/18/426723818.db2.gz VZTQYAFVFNLAOR-DOMZBBRYSA-N 1 0 306.362 2.534 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000245435568 426739246 /nfs/dbraw/zinc/73/92/46/426739246.db2.gz QMTDSBSYFFVVEA-OLZOCXBDSA-N 1 0 307.369 2.793 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000245435569 426739427 /nfs/dbraw/zinc/73/94/27/426739427.db2.gz QMTDSBSYFFVVEA-STQMWFEESA-N 1 0 307.369 2.793 20 5 DFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000274311738 426741456 /nfs/dbraw/zinc/74/14/56/426741456.db2.gz MNSGAUUTEOZVQQ-HOTGVXAUSA-N 1 0 324.352 2.790 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000281700803 426748760 /nfs/dbraw/zinc/74/87/60/426748760.db2.gz SSWWYFAIQMPYPT-STQMWFEESA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000267012318 426812364 /nfs/dbraw/zinc/81/23/64/426812364.db2.gz IEFCRDLCEVOOQO-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO CS[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274668914 426814591 /nfs/dbraw/zinc/81/45/91/426814591.db2.gz KUYBDKXUHUIKEQ-HUUCEWRRSA-N 1 0 307.419 2.611 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000290681170 426817900 /nfs/dbraw/zinc/81/79/00/426817900.db2.gz UBPFPVZFFLDMEK-GFCCVEGCSA-N 1 0 307.394 2.753 20 5 DFBDRO CCc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)o1 ZINC000267092502 426823294 /nfs/dbraw/zinc/82/32/94/426823294.db2.gz QKEXHUQHWHUIOQ-ZDUSSCGKSA-N 1 0 304.350 2.784 20 5 DFBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110013 426825074 /nfs/dbraw/zinc/82/50/74/426825074.db2.gz XARPSNJBJABLQN-GOEBONIOSA-N 1 0 314.389 2.744 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000295150948 426840039 /nfs/dbraw/zinc/84/00/39/426840039.db2.gz AFXQZCXKJRREST-COLVAYQJSA-N 1 0 324.327 2.920 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000290834529 426849372 /nfs/dbraw/zinc/84/93/72/426849372.db2.gz VACCIMQQEVSMAA-AAEUAGOBSA-N 1 0 305.378 2.778 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275802687 426921670 /nfs/dbraw/zinc/92/16/70/426921670.db2.gz FERGAMKVGHAOSZ-CTYIDZIISA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1cc(Cl)c(C(=O)NCC(C)(C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000295354491 426923224 /nfs/dbraw/zinc/92/32/24/426923224.db2.gz ISLHQUQKMKPDBH-UHFFFAOYSA-N 1 0 313.785 2.627 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000295244242 426875958 /nfs/dbraw/zinc/87/59/58/426875958.db2.gz PTEGVSYBMYZJMH-OCCSQVGLSA-N 1 0 324.352 2.945 20 5 DFBDRO CN(CCc1cccc([N+](=O)[O-])c1)Cc1ncc(Cl)n1C ZINC000282383896 426898465 /nfs/dbraw/zinc/89/84/65/426898465.db2.gz GDQGUAJCYAXOIK-UHFFFAOYSA-N 1 0 308.769 2.656 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247101478 426903773 /nfs/dbraw/zinc/90/37/73/426903773.db2.gz IEZNIBKTKMOKHA-UONOGXRCSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000247159747 426911087 /nfs/dbraw/zinc/91/10/87/426911087.db2.gz RXWPQRZLLVPYFT-ATCWAGBWSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000291683608 426952203 /nfs/dbraw/zinc/95/22/03/426952203.db2.gz NCIBDAVQNGSBCP-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104874 426952986 /nfs/dbraw/zinc/95/29/86/426952986.db2.gz MAZNUJGLFNVUTR-KBPBESRZSA-N 1 0 307.369 2.793 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F ZINC000283106423 426953402 /nfs/dbraw/zinc/95/34/02/426953402.db2.gz MBVJDGRHBLFUND-GFCCVEGCSA-N 1 0 304.325 2.837 20 5 DFBDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000189812409 426955316 /nfs/dbraw/zinc/95/53/16/426955316.db2.gz TULRLEMNEAHSJU-DOMZBBRYSA-N 1 0 323.393 2.573 20 5 DFBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000268235621 426958002 /nfs/dbraw/zinc/95/80/02/426958002.db2.gz MHDZUGJFMFNBFT-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)NCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000181547582 426960721 /nfs/dbraw/zinc/96/07/21/426960721.db2.gz ZDDDIJATUWIDSR-OAHLLOKOSA-N 1 0 305.378 2.552 20 5 DFBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1[NH+](C)C ZINC000268282241 426973966 /nfs/dbraw/zinc/97/39/66/426973966.db2.gz WPKCVSIIRJAPEU-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000295489641 426979738 /nfs/dbraw/zinc/97/97/38/426979738.db2.gz ZVJYBYCIMRPIJM-LRDDRELGSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C[NH+](C)C ZINC000291768196 426981204 /nfs/dbraw/zinc/98/12/04/426981204.db2.gz HDLHAABKGCXHHM-SECBINFHSA-N 1 0 303.309 2.806 20 5 DFBDRO CS[C@H]1CCN([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042515 427056101 /nfs/dbraw/zinc/05/61/01/427056101.db2.gz AOGWSRZKICWSSA-NEPJUHHUSA-N 1 0 323.418 2.668 20 5 DFBDRO CC[C@@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000292019258 427058566 /nfs/dbraw/zinc/05/85/66/427058566.db2.gz FDMCIYOFTSMSNY-UKRRQHHQSA-N 1 0 305.378 2.694 20 5 DFBDRO C[NH+](C)Cc1ccc(-c2noc(CCC(C)(C)[N+](=O)[O-])n2)cc1 ZINC000296047757 427059012 /nfs/dbraw/zinc/05/90/12/427059012.db2.gz WGGMNXMORZFSMD-UHFFFAOYSA-N 1 0 318.377 2.786 20 5 DFBDRO CC[C@]1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248475185 427004053 /nfs/dbraw/zinc/00/40/53/427004053.db2.gz XNMWKRJEHXQSKM-RHSMWYFYSA-N 1 0 322.405 2.847 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000276196843 427006648 /nfs/dbraw/zinc/00/66/48/427006648.db2.gz IFKWHAJFZVSHOM-ZDUSSCGKSA-N 1 0 322.409 2.639 20 5 DFBDRO CC(=O)c1cc(N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000283431868 427013329 /nfs/dbraw/zinc/01/33/29/427013329.db2.gz BMTIEHYRUWTWDE-UHFFFAOYSA-N 1 0 305.378 2.764 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000182118083 427015962 /nfs/dbraw/zinc/01/59/62/427015962.db2.gz QEXIHXDYHGLJRM-CQSZACIVSA-N 1 0 309.797 2.918 20 5 DFBDRO Cc1nc(NCC[N@@H+]2CCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000268430012 427017150 /nfs/dbraw/zinc/01/71/50/427017150.db2.gz BAPVTMJLFJNYLG-UHFFFAOYSA-N 1 0 318.402 2.830 20 5 DFBDRO Cc1nc(NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000268448486 427020980 /nfs/dbraw/zinc/02/09/80/427020980.db2.gz FNAYMNPHIYTGOT-TXEJJXNPSA-N 1 0 322.409 2.598 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000276367852 427047541 /nfs/dbraw/zinc/04/75/41/427047541.db2.gz BFWICCNSBRKRMY-UHFFFAOYSA-N 1 0 313.423 2.850 20 5 DFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[nH]1 ZINC000296023779 427049352 /nfs/dbraw/zinc/04/93/52/427049352.db2.gz MQTXUOXTMIRXKR-JTQLQIEISA-N 1 0 303.318 2.560 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000296087085 427069408 /nfs/dbraw/zinc/06/94/08/427069408.db2.gz SXAYSBFOPUOARV-CYBMUJFWSA-N 1 0 307.394 2.662 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292067476 427077863 /nfs/dbraw/zinc/07/78/63/427077863.db2.gz WZMROACIYGPJDN-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296127213 427084105 /nfs/dbraw/zinc/08/41/05/427084105.db2.gz SCDKHXFLADTFAT-OAHLLOKOSA-N 1 0 308.378 2.721 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000276498065 427085522 /nfs/dbraw/zinc/08/55/22/427085522.db2.gz UIOIOVIMZCVYRR-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000296131434 427085574 /nfs/dbraw/zinc/08/55/74/427085574.db2.gz WQCURYRCBDSEKD-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO C[N@H+](CCCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000276512755 427086374 /nfs/dbraw/zinc/08/63/74/427086374.db2.gz BCBDSXQDSZNPBQ-UHFFFAOYSA-N 1 0 317.183 2.562 20 5 DFBDRO COc1ccc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000292116386 427093871 /nfs/dbraw/zinc/09/38/71/427093871.db2.gz JQHWVHYUGCEVRG-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292122775 427099122 /nfs/dbraw/zinc/09/91/22/427099122.db2.gz HSKOWBGIORXYPM-AWEZNQCLSA-N 1 0 303.406 2.901 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000292131745 427101583 /nfs/dbraw/zinc/10/15/83/427101583.db2.gz LHFIUYHYHITMLH-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1nc(NCCCC[N@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000296193922 427109603 /nfs/dbraw/zinc/10/96/03/427109603.db2.gz BPKHLHMOEOUEMK-LBPRGKRZSA-N 1 0 307.398 2.617 20 5 DFBDRO C[C@@H]1CSCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000190452231 427110672 /nfs/dbraw/zinc/11/06/72/427110672.db2.gz FLPGOSQOKZJAKT-JTQLQIEISA-N 1 0 307.375 2.921 20 5 DFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292163720 427115037 /nfs/dbraw/zinc/11/50/37/427115037.db2.gz KZQLBMAXPLNIPY-CQSZACIVSA-N 1 0 303.406 2.901 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000292164617 427115228 /nfs/dbraw/zinc/11/52/28/427115228.db2.gz OZXNXXTVEPDHLS-INIZCTEOSA-N 1 0 304.390 2.886 20 5 DFBDRO CCC1([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000296271015 427129975 /nfs/dbraw/zinc/12/99/75/427129975.db2.gz MJNZOCAXVVUATD-UHFFFAOYSA-N 1 0 305.378 2.870 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296254960 427125956 /nfs/dbraw/zinc/12/59/56/427125956.db2.gz BSRYGJMTDHWBFT-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@@H](CO)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276431522 427064288 /nfs/dbraw/zinc/06/42/88/427064288.db2.gz JWWSHWNTIYERKP-ZDUSSCGKSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000292212450 427133660 /nfs/dbraw/zinc/13/36/60/427133660.db2.gz ZCIKICWJSMJRMK-JSGCOSHPSA-N 1 0 305.378 2.613 20 5 DFBDRO Cc1cc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(C)s1 ZINC000182765618 427141081 /nfs/dbraw/zinc/14/10/81/427141081.db2.gz JUHRXTKDVSXZBQ-LLVKDONJSA-N 1 0 321.402 2.786 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268955606 427142440 /nfs/dbraw/zinc/14/24/40/427142440.db2.gz WNBAHIRJAMTPML-AEGPPILISA-N 1 0 319.405 2.892 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292249569 427144158 /nfs/dbraw/zinc/14/41/58/427144158.db2.gz XNUZBEHQPKOMNY-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000250115281 427155414 /nfs/dbraw/zinc/15/54/14/427155414.db2.gz PCYCUGHJHOBHBE-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000171648312 271105970 /nfs/dbraw/zinc/10/59/70/271105970.db2.gz QPDNWTUNTDXXHD-HNNXBMFYSA-N 1 0 312.373 2.924 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000189021117 271203266 /nfs/dbraw/zinc/20/32/66/271203266.db2.gz NZOPXANBHMQLNL-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000264913388 271277864 /nfs/dbraw/zinc/27/78/64/271277864.db2.gz ZPSVWYIPOBMQKB-QGZVFWFLSA-N 1 0 316.357 2.601 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000270534331 271304076 /nfs/dbraw/zinc/30/40/76/271304076.db2.gz VRGHVBOZJKRUIW-IMJJTQAJSA-N 1 0 302.374 2.685 20 5 DFBDRO Cc1cc(NCCC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301281432 271361467 /nfs/dbraw/zinc/36/14/67/271361467.db2.gz UAFVTUWRJMEJSD-UHFFFAOYSA-N 1 0 315.377 2.724 20 5 DFBDRO O=c1cc(C[N@H+]2CC[C@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000269400695 427187001 /nfs/dbraw/zinc/18/70/01/427187001.db2.gz CMVQVGOGQVKFNY-ZDUSSCGKSA-N 1 0 309.365 2.760 20 5 DFBDRO COCc1noc([C@H](C)N[C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000183038308 427187221 /nfs/dbraw/zinc/18/72/21/427187221.db2.gz CJVBKCNFWYOJEC-UWVGGRQHSA-N 1 0 306.322 2.536 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292502540 427188764 /nfs/dbraw/zinc/18/87/64/427188764.db2.gz XLYQUMSGWFOAOU-GFCCVEGCSA-N 1 0 307.394 2.646 20 5 DFBDRO C[C@H](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183112614 427202520 /nfs/dbraw/zinc/20/25/20/427202520.db2.gz JZQRQLSWMAPGFN-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO C[N@H+](CCCO[C@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000338234909 427206732 /nfs/dbraw/zinc/20/67/32/427206732.db2.gz JEIBMYGASZICSJ-INIZCTEOSA-N 1 0 308.378 2.960 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000285379985 427214616 /nfs/dbraw/zinc/21/46/16/427214616.db2.gz RPLKGUBXNFVLSD-KRWDZBQOSA-N 1 0 314.385 2.673 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000190957626 427214560 /nfs/dbraw/zinc/21/45/60/427214560.db2.gz OXFBENFOXGYQIP-BPDPDCLSSA-N 1 0 306.362 2.785 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000285601400 427284789 /nfs/dbraw/zinc/28/47/89/427284789.db2.gz PPEUJMGTWREMHY-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1cc(C)nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285412761 427224014 /nfs/dbraw/zinc/22/40/14/427224014.db2.gz UYJHYZRLBNEGSE-UHFFFAOYSA-N 1 0 315.373 2.981 20 5 DFBDRO Cc1noc(C)c1C(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000285602079 427286163 /nfs/dbraw/zinc/28/61/63/427286163.db2.gz JUWQFDDDOIQQFZ-AWEZNQCLSA-N 1 0 319.361 2.758 20 5 DFBDRO CN(C(=O)C[NH+]1CCC(C)(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000330456115 427242108 /nfs/dbraw/zinc/24/21/08/427242108.db2.gz NNYRPNRCUMHRLF-UHFFFAOYSA-N 1 0 305.378 2.680 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@](C)(COC)C2)ccc1[N+](=O)[O-] ZINC000296875340 427261718 /nfs/dbraw/zinc/26/17/18/427261718.db2.gz UVBKXXVMXUDKIO-INIZCTEOSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000183421324 427267314 /nfs/dbraw/zinc/26/73/14/427267314.db2.gz SBIDEBNROLOLRA-NSHDSACASA-N 1 0 314.345 2.547 20 5 DFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCC[N@@H+]1C ZINC000338354731 427271188 /nfs/dbraw/zinc/27/11/88/427271188.db2.gz JGOKMHHQXKSVMD-MRXNPFEDSA-N 1 0 305.422 2.944 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000269758881 427272827 /nfs/dbraw/zinc/27/28/27/427272827.db2.gz ILWWKSQDAFYYDD-UONOGXRCSA-N 1 0 315.377 2.660 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000255618807 427280841 /nfs/dbraw/zinc/28/08/41/427280841.db2.gz JFUWSAZGRKDKLU-ZBTGYSDGSA-N 1 0 317.389 2.632 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255617499 427282529 /nfs/dbraw/zinc/28/25/29/427282529.db2.gz QDEWSUZXESLAGF-ZBTGYSDGSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285587533 427283423 /nfs/dbraw/zinc/28/34/23/427283423.db2.gz OSIOPELUWVZBOJ-TZMCWYRMSA-N 1 0 307.369 2.793 20 5 DFBDRO CO[C@@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285648287 427299993 /nfs/dbraw/zinc/29/99/93/427299993.db2.gz LPHNMUCVMLHSQO-LBPRGKRZSA-N 1 0 319.361 2.759 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183701509 427322966 /nfs/dbraw/zinc/32/29/66/427322966.db2.gz NOBTZZJPGAIHOF-UHFFFAOYSA-N 1 0 320.389 2.532 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261905829 427344540 /nfs/dbraw/zinc/34/45/40/427344540.db2.gz XHIASMGDBURPAC-VXGBXAGGSA-N 1 0 319.405 2.702 20 5 DFBDRO C[C@@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@@H]1C[NH3+] ZINC000261989136 427347373 /nfs/dbraw/zinc/34/73/73/427347373.db2.gz BGWJONIXBWFBFS-YPMHNXCESA-N 1 0 300.362 2.564 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000277706078 427291500 /nfs/dbraw/zinc/29/15/00/427291500.db2.gz HZVYFFZCYWRQFM-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO C[C@@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293576700 427369790 /nfs/dbraw/zinc/36/97/90/427369790.db2.gz DRYXTDXMMLQMJQ-GFCCVEGCSA-N 1 0 318.421 2.845 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297273774 427381124 /nfs/dbraw/zinc/38/11/24/427381124.db2.gz VWGGOPRUZSHDTO-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H](C)C1 ZINC000297280597 427383868 /nfs/dbraw/zinc/38/38/68/427383868.db2.gz XHIGUKQWBQHDMJ-IAQYHMDHSA-N 1 0 317.393 2.638 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000271072773 427396218 /nfs/dbraw/zinc/39/62/18/427396218.db2.gz FSNJQGYFRPSAAI-CHWSQXEVSA-N 1 0 318.377 2.929 20 5 DFBDRO COc1cc(N(C)CC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000271089674 427401951 /nfs/dbraw/zinc/40/19/51/427401951.db2.gz KPPNLDQVQAFQKD-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297444990 427404695 /nfs/dbraw/zinc/40/46/95/427404695.db2.gz IYYOQSHWHDZSSC-AAEUAGOBSA-N 1 0 315.377 2.534 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000277894495 427353884 /nfs/dbraw/zinc/35/38/84/427353884.db2.gz DQWHUFHOMWBXCS-CQSZACIVSA-N 1 0 319.405 2.850 20 5 DFBDRO CN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285867024 427360326 /nfs/dbraw/zinc/36/03/26/427360326.db2.gz XXPOENAZTSXXNL-NNQSOWQGSA-N 1 0 318.377 2.684 20 5 DFBDRO COC[C@H]1CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293578686 427369389 /nfs/dbraw/zinc/36/93/89/427369389.db2.gz NOEOJJZHSJRNFH-CQSZACIVSA-N 1 0 317.345 2.513 20 5 DFBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806810 427459973 /nfs/dbraw/zinc/45/99/73/427459973.db2.gz ZPCKKIZQPUKCKW-ZBFHGGJFSA-N 1 0 314.389 2.978 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000286251521 427469797 /nfs/dbraw/zinc/46/97/97/427469797.db2.gz APCXODPYDOOZOW-XNHOIOAFSA-N 1 0 306.337 2.589 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000293919155 427488766 /nfs/dbraw/zinc/48/87/66/427488766.db2.gz XSTUGAFGMLGRRG-SJCJKPOMSA-N 1 0 318.348 2.988 20 5 DFBDRO NC(=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000278873710 427483940 /nfs/dbraw/zinc/48/39/40/427483940.db2.gz XGVWEXNEVMVNST-HNNXBMFYSA-N 1 0 317.389 2.608 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293753342 427426486 /nfs/dbraw/zinc/42/64/86/427426486.db2.gz OHBGHBHCJNLSGA-BZNIZROVSA-N 1 0 301.346 2.561 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cc(Cl)c1=O)Cc1ccccc1 ZINC000278555914 427442447 /nfs/dbraw/zinc/44/24/47/427442447.db2.gz MCFNNHMWVDZCIH-UHFFFAOYSA-N 1 0 321.764 2.542 20 5 DFBDRO Cc1cc(N2CC([NH+](C)C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000338695531 427443213 /nfs/dbraw/zinc/44/32/13/427443213.db2.gz RCWNGGNMEJIWNO-UHFFFAOYSA-N 1 0 303.284 2.672 20 5 DFBDRO CS[C@H]1CN(c2cccc(C)c2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000338697527 427443837 /nfs/dbraw/zinc/44/38/37/427443837.db2.gz FKKURVGBOVIMQB-GJZGRUSLSA-N 1 0 321.446 2.919 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000192501132 427554711 /nfs/dbraw/zinc/55/47/11/427554711.db2.gz FSHWHDWNOHJUCL-STQMWFEESA-N 1 0 323.441 2.900 20 5 DFBDRO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)n1 ZINC000332083393 427504646 /nfs/dbraw/zinc/50/46/46/427504646.db2.gz OVQPBVFAUJDUNV-ZWNOBZJWSA-N 1 0 302.334 2.837 20 5 DFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286375508 427509190 /nfs/dbraw/zinc/50/91/90/427509190.db2.gz OBJPLDKHWYRGSS-JSGCOSHPSA-N 1 0 305.378 2.666 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000184648896 427511500 /nfs/dbraw/zinc/51/15/00/427511500.db2.gz ANPGOUZVNZEWKV-GFCCVEGCSA-N 1 0 317.389 2.652 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286410069 427518843 /nfs/dbraw/zinc/51/88/43/427518843.db2.gz QFGCPDGRDLUATO-ZYHUDNBSSA-N 1 0 310.785 2.706 20 5 DFBDRO CC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286441834 427530949 /nfs/dbraw/zinc/53/09/49/427530949.db2.gz SQYYWJUAYYJZSQ-IUODEOHRSA-N 1 0 317.389 2.860 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000271434426 427535517 /nfs/dbraw/zinc/53/55/17/427535517.db2.gz DLVMJSZSPJJZIA-JOYOIKCWSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000271434429 427536324 /nfs/dbraw/zinc/53/63/24/427536324.db2.gz DLVMJSZSPJJZIA-SKDRFNHKSA-N 1 0 306.284 2.867 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271438312 427537801 /nfs/dbraw/zinc/53/78/01/427537801.db2.gz BPGWYIDHSZETQN-CHWSQXEVSA-N 1 0 305.378 2.821 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1SC ZINC000298245219 427545982 /nfs/dbraw/zinc/54/59/82/427545982.db2.gz CUHOBZNOWYOGQR-KFWWJZLASA-N 1 0 310.419 2.636 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000278886607 427489453 /nfs/dbraw/zinc/48/94/53/427489453.db2.gz YHXAYYJKCREQOF-CFVMTHIKSA-N 1 0 306.362 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCSCCCO)CCC2 ZINC000192837778 427621361 /nfs/dbraw/zinc/62/13/61/427621361.db2.gz HOIDOORIEJHLLR-OAHLLOKOSA-N 1 0 310.419 2.677 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000332244514 427556735 /nfs/dbraw/zinc/55/67/35/427556735.db2.gz SIOLUZWBBFZYMX-ZKYQVNSYSA-N 1 0 310.781 2.841 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc([C@@H]3CCCN3C3CC3)n2)c1 ZINC000279113738 427561026 /nfs/dbraw/zinc/56/10/26/427561026.db2.gz YVIOIRXODCACEN-ZDUSSCGKSA-N 1 0 300.318 2.944 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC000332274640 427565228 /nfs/dbraw/zinc/56/52/28/427565228.db2.gz XERVXNGGKNSTQG-JKOKRWQUSA-N 1 0 310.781 2.841 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@H]3C2)c(Cl)c1 ZINC000332274644 427566529 /nfs/dbraw/zinc/56/65/29/427566529.db2.gz XERVXNGGKNSTQG-VHRBIJSZSA-N 1 0 310.781 2.841 20 5 DFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000263801344 427577055 /nfs/dbraw/zinc/57/70/55/427577055.db2.gz QHOJLGKXMNFSCH-UHFFFAOYSA-N 1 0 311.357 2.647 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2nccn21 ZINC000338953000 427583689 /nfs/dbraw/zinc/58/36/89/427583689.db2.gz AICGKQNGYWBEMJ-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000287381153 427596167 /nfs/dbraw/zinc/59/61/67/427596167.db2.gz BFZKTSUTIQKGAP-DOMZBBRYSA-N 1 0 318.377 2.685 20 5 DFBDRO CC(C)[N@H+](CCN1CCO[C@H](C)C1)Cc1ccc([N+](=O)[O-])cc1 ZINC000192725085 427596462 /nfs/dbraw/zinc/59/64/62/427596462.db2.gz DUSHTKDHSGBAMA-OAHLLOKOSA-N 1 0 321.421 2.526 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)c2cccc(CO)c2)cc1[N+](=O)[O-] ZINC000272030467 427605618 /nfs/dbraw/zinc/60/56/18/427605618.db2.gz WVMIGSXKOYEUBF-GFCCVEGCSA-N 1 0 316.357 2.947 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)c1ccccc1 ZINC000264005129 427631639 /nfs/dbraw/zinc/63/16/39/427631639.db2.gz HCIBPLJPXCOHOA-QGZVFWFLSA-N 1 0 316.357 2.639 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000264049248 427643369 /nfs/dbraw/zinc/64/33/69/427643369.db2.gz UTOMLRSYUZMWIQ-MRXNPFEDSA-N 1 0 316.357 2.769 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(CO)CC1 ZINC000294639851 427649987 /nfs/dbraw/zinc/64/99/87/427649987.db2.gz PUEDJHHJDVUJLM-UHFFFAOYSA-N 1 0 318.295 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000339012486 427625307 /nfs/dbraw/zinc/62/53/07/427625307.db2.gz WFLLWBNJDHWMTF-INIZCTEOSA-N 1 0 306.362 2.693 20 5 DFBDRO CC1=CC[N@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000342858405 272062453 /nfs/dbraw/zinc/06/24/53/272062453.db2.gz YXVAXIZRKBIIFY-UHFFFAOYSA-N 1 0 319.390 2.663 20 5 DFBDRO C[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000343066224 272081566 /nfs/dbraw/zinc/08/15/66/272081566.db2.gz BFRRIFCPEVPSQO-CHWSQXEVSA-N 1 0 305.378 2.588 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000343296542 272114224 /nfs/dbraw/zinc/11/42/24/272114224.db2.gz ZHHJEBRWFUROCO-UHFFFAOYSA-N 1 0 317.393 2.783 20 5 DFBDRO C[C@]1(F)CCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000295058652 427675967 /nfs/dbraw/zinc/67/59/67/427675967.db2.gz BEBMAVNQQINLNY-HNNXBMFYSA-N 1 0 309.341 2.747 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000343634329 272189357 /nfs/dbraw/zinc/18/93/57/272189357.db2.gz UXYADULLQSIKOS-UHFFFAOYSA-N 1 0 312.373 2.619 20 5 DFBDRO CC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000343914222 272236150 /nfs/dbraw/zinc/23/61/50/272236150.db2.gz VBTABUXIFUISII-HOCLYGCPSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1c(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000343918040 272237287 /nfs/dbraw/zinc/23/72/87/272237287.db2.gz HCUFUMBKMAAYJE-CZUORRHYSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082716 272259112 /nfs/dbraw/zinc/25/91/12/272259112.db2.gz RXEYWOMGZLDGFU-DZGCQCFKSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344186858 272282310 /nfs/dbraw/zinc/28/23/10/272282310.db2.gz FJLUSCRETDPKCC-UHFFFAOYSA-N 1 0 323.368 2.727 20 5 DFBDRO C[S@@](=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000344204580 272286946 /nfs/dbraw/zinc/28/69/46/272286946.db2.gz AQWMWHAODIGKFL-JOCHJYFZSA-N 1 0 318.398 2.665 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000344220688 272290961 /nfs/dbraw/zinc/29/09/61/272290961.db2.gz UWNLCRBKVJXFQD-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000344323869 272312391 /nfs/dbraw/zinc/31/23/91/272312391.db2.gz JXFAYILMONJIAK-CQSZACIVSA-N 1 0 304.346 2.925 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344629849 272349653 /nfs/dbraw/zinc/34/96/53/272349653.db2.gz BJRCYEHZVOSZDC-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000344658121 272352730 /nfs/dbraw/zinc/35/27/30/272352730.db2.gz GRNHZRZHQJZQEE-CQSZACIVSA-N 1 0 323.368 2.584 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000344718496 272359644 /nfs/dbraw/zinc/35/96/44/272359644.db2.gz WMMKOIPJRVOKDQ-GJZGRUSLSA-N 1 0 324.377 2.515 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000344791580 272370430 /nfs/dbraw/zinc/37/04/30/272370430.db2.gz JBOVDWOOQMETOU-SNVBAGLBSA-N 1 0 316.304 2.977 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C(F)(F)F ZINC000344799042 272371935 /nfs/dbraw/zinc/37/19/35/272371935.db2.gz YQTOSZRSCKUBIC-LRAPTIAOSA-N 1 0 304.268 2.511 20 5 DFBDRO COc1ccc(C[NH2+]CC[C@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344816746 272373696 /nfs/dbraw/zinc/37/36/96/272373696.db2.gz RZFQYILWQZPBES-LBPRGKRZSA-N 1 0 322.283 2.660 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCN3CCC3)o2)c1 ZINC000344837449 272376571 /nfs/dbraw/zinc/37/65/71/272376571.db2.gz MALYIPBLELGWIO-UHFFFAOYSA-N 1 0 301.346 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000344910187 272384617 /nfs/dbraw/zinc/38/46/17/272384617.db2.gz FDJNJFJULVZXDY-AAEUAGOBSA-N 1 0 306.366 2.507 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](CC2CC2)CC1 ZINC000193471461 427693408 /nfs/dbraw/zinc/69/34/08/427693408.db2.gz BQDLGPSCKUNDPD-UHFFFAOYSA-N 1 0 318.377 2.591 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000193479375 427693848 /nfs/dbraw/zinc/69/38/48/427693848.db2.gz LDFIDQCULUCLOS-UHFFFAOYSA-N 1 0 304.394 2.632 20 5 DFBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000185791909 427706978 /nfs/dbraw/zinc/70/69/78/427706978.db2.gz OBXDVWGIBFEQQE-HNNXBMFYSA-N 1 0 300.362 2.628 20 5 DFBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(C(=O)OC)CCC1 ZINC000272340095 427714095 /nfs/dbraw/zinc/71/40/95/427714095.db2.gz BPSPCWISXYFIOO-HNNXBMFYSA-N 1 0 320.389 2.849 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(-c2nc([C@H]([NH3+])CC(C)C)no2)c1 ZINC000339389627 427766629 /nfs/dbraw/zinc/76/66/29/427766629.db2.gz HRCMMIBVWZTUOR-LLVKDONJSA-N 1 0 306.322 2.699 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301069981 427773559 /nfs/dbraw/zinc/77/35/59/427773559.db2.gz FNFVTYGJMRWMFD-QWRGUYRKSA-N 1 0 323.422 2.836 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301119756 427776794 /nfs/dbraw/zinc/77/67/94/427776794.db2.gz NELJSCPGVYTTOI-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000301198107 427781312 /nfs/dbraw/zinc/78/13/12/427781312.db2.gz OISJSDKCKGMTEI-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000336969522 427781336 /nfs/dbraw/zinc/78/13/36/427781336.db2.gz BLEGAVCTRQDTGB-UHFFFAOYSA-N 1 0 303.318 2.648 20 5 DFBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301213820 427782478 /nfs/dbraw/zinc/78/24/78/427782478.db2.gz WMSJSJNPGHUIKZ-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC(=O)c1cc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288025485 427730298 /nfs/dbraw/zinc/73/02/98/427730298.db2.gz WRWRGJGYIVMUAD-NHYWBVRUSA-N 1 0 305.378 2.938 20 5 DFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000299023308 427740189 /nfs/dbraw/zinc/74/01/89/427740189.db2.gz NORTUDTZYICMIB-GHMZBOCLSA-N 1 0 311.407 2.507 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000299081300 427748002 /nfs/dbraw/zinc/74/80/02/427748002.db2.gz SGHKBBCGTYGYGL-JSGCOSHPSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000194602882 427748095 /nfs/dbraw/zinc/74/80/95/427748095.db2.gz ZXURILHOECPFFM-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000301589910 427808213 /nfs/dbraw/zinc/80/82/13/427808213.db2.gz YHNSAHSCWGJTMQ-AWEZNQCLSA-N 1 0 307.394 2.672 20 5 DFBDRO CN(C(=O)C[N@@H+]1CC[C@H](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000339682037 427811367 /nfs/dbraw/zinc/81/13/67/427811367.db2.gz IRCUKRKHNSBFQF-CQSZACIVSA-N 1 0 317.389 2.680 20 5 DFBDRO Cc1nc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301689965 427816378 /nfs/dbraw/zinc/81/63/78/427816378.db2.gz YEXUZPUWOPWQRW-AWEZNQCLSA-N 1 0 304.394 2.975 20 5 DFBDRO O=[N+]([O-])c1cnn(CCNc2cc[nH+]c3cc(F)ccc23)c1 ZINC000301715491 427818544 /nfs/dbraw/zinc/81/85/44/427818544.db2.gz JSKDJHDNZXGPIW-UHFFFAOYSA-N 1 0 301.281 2.591 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H]1c1ccc(F)cc1 ZINC000301822575 427827382 /nfs/dbraw/zinc/82/73/82/427827382.db2.gz HGJBXORQGGXVAW-HOCLYGCPSA-N 1 0 316.336 2.986 20 5 DFBDRO COc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000301871272 427831740 /nfs/dbraw/zinc/83/17/40/427831740.db2.gz DAMOURQDZYFUJD-GFCCVEGCSA-N 1 0 323.393 2.756 20 5 DFBDRO COC1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340441320 427848931 /nfs/dbraw/zinc/84/89/31/427848931.db2.gz OITIYNLPYZITEE-UONOGXRCSA-N 1 0 322.409 2.824 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000359437173 427852303 /nfs/dbraw/zinc/85/23/03/427852303.db2.gz JKZVANHPBLZCLV-RYUDHWBXSA-N 1 0 309.414 2.794 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354657 427861512 /nfs/dbraw/zinc/86/15/12/427861512.db2.gz BOQDTXLCTQGJFA-JSGCOSHPSA-N 1 0 303.362 2.798 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000359479565 427869149 /nfs/dbraw/zinc/86/91/49/427869149.db2.gz GYHRIYHDWCTJOR-TXEJJXNPSA-N 1 0 309.414 2.794 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000355862254 427925630 /nfs/dbraw/zinc/92/56/30/427925630.db2.gz OJBFGYZVVUWNGX-UHFFFAOYSA-N 1 0 307.394 2.786 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]2C1 ZINC000302865682 427880911 /nfs/dbraw/zinc/88/09/11/427880911.db2.gz UPOAEEXLDBAIAB-GASCZTMLSA-N 1 0 324.384 2.655 20 5 DFBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777564 427887128 /nfs/dbraw/zinc/88/71/28/427887128.db2.gz CDHAUPBSAANHDX-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355784134 427891838 /nfs/dbraw/zinc/89/18/38/427891838.db2.gz OBLJVUBHKMKHCL-RDBSUJKOSA-N 1 0 319.405 2.924 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000349965349 427909699 /nfs/dbraw/zinc/90/96/99/427909699.db2.gz FNEGBVSMWAZXLF-UHFFFAOYSA-N 1 0 308.378 2.924 20 5 DFBDRO CC[NH+](CC)CC(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000337449569 427910985 /nfs/dbraw/zinc/91/09/85/427910985.db2.gz JYNNAJDSJPXNBH-HNNXBMFYSA-N 1 0 323.418 2.511 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000340055247 427913709 /nfs/dbraw/zinc/91/37/09/427913709.db2.gz UVXXEAMCQPVVIA-NWDGAFQWSA-N 1 0 323.368 2.727 20 5 DFBDRO CSC[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000304283871 427924481 /nfs/dbraw/zinc/92/44/81/427924481.db2.gz KXWHVXLDQXTMGY-HNNXBMFYSA-N 1 0 312.435 2.922 20 5 DFBDRO CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OC)cc1 ZINC000341043329 427977084 /nfs/dbraw/zinc/97/70/84/427977084.db2.gz QWGWRNLNPZNTEG-ZDUSSCGKSA-N 1 0 304.350 2.578 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341102916 427990024 /nfs/dbraw/zinc/99/00/24/427990024.db2.gz MHOSHFXUTIUXSA-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO C[NH+]1CCC(n2ccc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000369681683 428033350 /nfs/dbraw/zinc/03/33/50/428033350.db2.gz OWHODOMCXJOFCB-UHFFFAOYSA-N 1 0 301.350 2.802 20 5 DFBDRO C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000347473838 272794378 /nfs/dbraw/zinc/79/43/78/272794378.db2.gz VDRLOSBPRFWUPP-NSHDSACASA-N 1 0 308.769 2.666 20 5 DFBDRO Cc1nc(N(CC[NH+](C)C)Cc2ccsc2)ccc1[N+](=O)[O-] ZINC000413438968 428051287 /nfs/dbraw/zinc/05/12/87/428051287.db2.gz ABGKXOPWDIRZQF-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)C[NH+]1CCCCC1 ZINC000356174652 428053540 /nfs/dbraw/zinc/05/35/40/428053540.db2.gz RQRBGYMQHRLTHL-NSHDSACASA-N 1 0 310.373 2.850 20 5 DFBDRO CCn1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)n1 ZINC000413485881 428060978 /nfs/dbraw/zinc/06/09/78/428060978.db2.gz ABSZTASZHAYEMD-UHFFFAOYSA-N 1 0 311.345 2.702 20 5 DFBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000346052019 428002324 /nfs/dbraw/zinc/00/23/24/428002324.db2.gz ARTIIJRDQUFZLM-ZDUSSCGKSA-N 1 0 323.780 2.557 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000359774841 428014199 /nfs/dbraw/zinc/01/41/99/428014199.db2.gz OIJINWHDYCGLMI-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351112758 428014858 /nfs/dbraw/zinc/01/48/58/428014858.db2.gz XJUDQDXDGDFBTD-UHFFFAOYSA-N 1 0 307.269 2.960 20 5 DFBDRO Cc1c(-c2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145345 428020248 /nfs/dbraw/zinc/02/02/48/428020248.db2.gz JVVUVVRTXXRMCA-BXKDBHETSA-N 1 0 302.334 2.618 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377172096 428077064 /nfs/dbraw/zinc/07/70/64/428077064.db2.gz PDOZAPQUAZXLGB-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212271 428085509 /nfs/dbraw/zinc/08/55/09/428085509.db2.gz AATOSRRGFVRCOW-SUMWQHHRSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377426554 428127733 /nfs/dbraw/zinc/12/77/33/428127733.db2.gz QABAJBUMLJOPSE-CHWSQXEVSA-N 1 0 318.377 2.652 20 5 DFBDRO Cc1c(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000377248648 428093162 /nfs/dbraw/zinc/09/31/62/428093162.db2.gz HFEXPZHMKFFVJY-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c1 ZINC000370000956 428105817 /nfs/dbraw/zinc/10/58/17/428105817.db2.gz FZIAGNIBWYYZTA-OAHLLOKOSA-N 1 0 318.352 2.638 20 5 DFBDRO CCCCN(CC)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341582681 428114793 /nfs/dbraw/zinc/11/47/93/428114793.db2.gz GSDRJXJRVODHIO-CYBMUJFWSA-N 1 0 307.394 2.894 20 5 DFBDRO C[C@H]1C[C@@H](c2cccs2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046820 428121746 /nfs/dbraw/zinc/12/17/46/428121746.db2.gz TZUOCQKBEGAZDK-WDEREUQCSA-N 1 0 306.391 2.768 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341595610 428122721 /nfs/dbraw/zinc/12/27/21/428122721.db2.gz UVZPSVISCBADFJ-QWHCGFSZSA-N 1 0 305.378 2.646 20 5 DFBDRO C[NH+]1CCC(C)(CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352355688 428133051 /nfs/dbraw/zinc/13/30/51/428133051.db2.gz JGRWARVNAGPOAS-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360060 428134265 /nfs/dbraw/zinc/13/42/65/428134265.db2.gz LHQKESOHJPXVSH-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358239 428135462 /nfs/dbraw/zinc/13/54/62/428135462.db2.gz XICTVNHHMLEYIK-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535955 428138839 /nfs/dbraw/zinc/13/88/39/428138839.db2.gz XRDLEFDXMFRNKM-SVEBXFOSSA-N 1 0 301.390 2.684 20 5 DFBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070105 428142157 /nfs/dbraw/zinc/14/21/57/428142157.db2.gz GXPHQEODECXDSB-TZMCWYRMSA-N 1 0 307.369 2.963 20 5 DFBDRO COC(=O)C(C)(C)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571310 428154827 /nfs/dbraw/zinc/15/48/27/428154827.db2.gz SYFVCTBRVFOKRK-UHFFFAOYSA-N 1 0 308.378 2.658 20 5 DFBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)COC1 ZINC000352710715 428217451 /nfs/dbraw/zinc/21/74/51/428217451.db2.gz KTEYVTSZRDHDQY-UHFFFAOYSA-N 1 0 304.268 2.740 20 5 DFBDRO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000346600735 428235186 /nfs/dbraw/zinc/23/51/86/428235186.db2.gz JHZMYTWGQVQINR-UHFFFAOYSA-N 1 0 307.394 2.926 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC000414342738 428264515 /nfs/dbraw/zinc/26/45/15/428264515.db2.gz MSZGMGSPOGSBBX-JSGCOSHPSA-N 1 0 307.394 2.738 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000414361231 428271100 /nfs/dbraw/zinc/27/11/00/428271100.db2.gz HSJDNYHVSKKVOX-OAHLLOKOSA-N 1 0 317.393 2.635 20 5 DFBDRO CCCN(CCOc1cccc([N+](=O)[O-])c1)CC[NH+]1CCCC1 ZINC000352888165 428297459 /nfs/dbraw/zinc/29/74/59/428297459.db2.gz MPNAPVVNWMHBCW-UHFFFAOYSA-N 1 0 321.421 2.781 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccn1 ZINC000341897803 428244825 /nfs/dbraw/zinc/24/48/25/428244825.db2.gz SCZZWBXORMINSL-CYBMUJFWSA-N 1 0 300.362 2.538 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CSC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000352794311 428250127 /nfs/dbraw/zinc/25/01/27/428250127.db2.gz RIEOLYMHHUCVFA-GZMMTYOYSA-N 1 0 300.355 2.584 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000414331063 428260815 /nfs/dbraw/zinc/26/08/15/428260815.db2.gz CSISNFKDIYPZSR-NWDGAFQWSA-N 1 0 323.393 2.557 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000352910528 428309170 /nfs/dbraw/zinc/30/91/70/428309170.db2.gz DUQFNECOPINBFI-UHFFFAOYSA-N 1 0 308.382 2.755 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131864 428317649 /nfs/dbraw/zinc/31/76/49/428317649.db2.gz GTCNNCUVNYUPCR-KBPBESRZSA-N 1 0 304.394 2.751 20 5 DFBDRO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC000346806321 428325541 /nfs/dbraw/zinc/32/55/41/428325541.db2.gz KHGIJIYEUKHJEC-SNVBAGLBSA-N 1 0 302.334 2.558 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1 ZINC000414518638 428328114 /nfs/dbraw/zinc/32/81/14/428328114.db2.gz BKFURBWHDYRTOM-CQSZACIVSA-N 1 0 304.321 2.600 20 5 DFBDRO CC[C@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000360526076 428332980 /nfs/dbraw/zinc/33/29/80/428332980.db2.gz ROKJYFYHOWCIMF-CQSZACIVSA-N 1 0 307.394 2.640 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000414553455 428337607 /nfs/dbraw/zinc/33/76/07/428337607.db2.gz FRLSHDGOLYEUJS-MRXNPFEDSA-N 1 0 306.362 2.678 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371413219 428388591 /nfs/dbraw/zinc/38/85/91/428388591.db2.gz ONZRMBIAEVCEBN-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000346993761 428400816 /nfs/dbraw/zinc/40/08/16/428400816.db2.gz APUWMAIRUASIGJ-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773243 428401004 /nfs/dbraw/zinc/40/10/04/428401004.db2.gz SIJQCOTZVUCVAH-ABAIWWIYSA-N 1 0 301.346 2.776 20 5 DFBDRO C[C@H](c1nc(C2([NH3+])CCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000414622770 428357801 /nfs/dbraw/zinc/35/78/01/428357801.db2.gz CKLFSLQVIGCJTB-QMMMGPOBSA-N 1 0 306.297 2.607 20 5 DFBDRO C[C@@H](c1nc(C2([NH3+])CCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000414622767 428358137 /nfs/dbraw/zinc/35/81/37/428358137.db2.gz CKLFSLQVIGCJTB-MRVPVSSYSA-N 1 0 306.297 2.607 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1-c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414626534 428359543 /nfs/dbraw/zinc/35/95/43/428359543.db2.gz YIEZHFNMGYRWCZ-NSHDSACASA-N 1 0 306.322 2.699 20 5 DFBDRO COc1cc(-c2nc([C@H]([NH3+])CC(C)C)no2)c([N+](=O)[O-])cc1F ZINC000414631985 428362133 /nfs/dbraw/zinc/36/21/33/428362133.db2.gz XIVRCMWJXCYRQW-SNVBAGLBSA-N 1 0 324.312 2.838 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000342233356 428363540 /nfs/dbraw/zinc/36/35/40/428363540.db2.gz SJPNFVJTCVGDKD-GOSISDBHSA-N 1 0 314.385 2.943 20 5 DFBDRO O=C(CC[NH+]1CCC2(CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000378328365 428364847 /nfs/dbraw/zinc/36/48/47/428364847.db2.gz WDMJYNOFJISAAC-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048602 428369382 /nfs/dbraw/zinc/36/93/82/428369382.db2.gz VJNITKNFMVXHTB-BXUZGUMPSA-N 1 0 311.813 2.721 20 5 DFBDRO COCC[C@H](COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000353077604 428377063 /nfs/dbraw/zinc/37/70/63/428377063.db2.gz FFQKZHFKTXFQQG-CQSZACIVSA-N 1 0 310.394 2.859 20 5 DFBDRO [NH3+]C1(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000414886337 428446354 /nfs/dbraw/zinc/44/63/54/428446354.db2.gz POMSIYUQVJIOCB-UHFFFAOYSA-N 1 0 301.346 2.826 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000353249268 428449811 /nfs/dbraw/zinc/44/98/11/428449811.db2.gz NBWOVDKLCLJRJG-AEFFLSMTSA-N 1 0 312.369 2.851 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@]1(CO)C[C@H]1c1ccccc1 ZINC000353249271 428449849 /nfs/dbraw/zinc/44/98/49/428449849.db2.gz NBWOVDKLCLJRJG-WMZOPIPTSA-N 1 0 312.369 2.851 20 5 DFBDRO CCC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360835172 428457247 /nfs/dbraw/zinc/45/72/47/428457247.db2.gz NIDCVPYHOWXKHC-IAGOWNOFSA-N 1 0 322.405 2.813 20 5 DFBDRO CC[C@@H](Cn1cncn1)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000353267514 428459738 /nfs/dbraw/zinc/45/97/38/428459738.db2.gz PUPPNTSQLMGUTI-ZFWWWQNUSA-N 1 0 303.366 2.706 20 5 DFBDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347037091 428417808 /nfs/dbraw/zinc/41/78/08/428417808.db2.gz FRDPITKDTSZXIA-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCC[NH2+]C2)o1 ZINC000414821293 428424201 /nfs/dbraw/zinc/42/42/01/428424201.db2.gz AWVJBFSMETYTKR-ZDUSSCGKSA-N 1 0 315.373 2.944 20 5 DFBDRO COC[C@]1(CNCc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414948822 428469949 /nfs/dbraw/zinc/46/99/49/428469949.db2.gz YFDLKSMWPKNPCP-QGZVFWFLSA-N 1 0 321.421 2.576 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000357317872 428480250 /nfs/dbraw/zinc/48/02/50/428480250.db2.gz RQFRCOGZBBUSJC-AWEZNQCLSA-N 1 0 307.394 2.672 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000110509799 273816428 /nfs/dbraw/zinc/81/64/28/273816428.db2.gz XXDVYLARVACWKZ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO Cn1ccnc1[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353356472 428500229 /nfs/dbraw/zinc/50/02/29/428500229.db2.gz VRSPRIWCHBXWCR-CYBMUJFWSA-N 1 0 315.333 2.601 20 5 DFBDRO CC(C)[C@@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000347222559 428500657 /nfs/dbraw/zinc/50/06/57/428500657.db2.gz DGSUHEQUVZVYOP-AWEZNQCLSA-N 1 0 324.356 2.538 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)C1CCCCC1 ZINC000360952522 428505492 /nfs/dbraw/zinc/50/54/92/428505492.db2.gz BUQLYPRPHFVLLH-UHFFFAOYSA-N 1 0 309.414 2.796 20 5 DFBDRO CCc1nn(C)c(N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000360955695 428507657 /nfs/dbraw/zinc/50/76/57/428507657.db2.gz XPTSZJYNNGCLOS-UHFFFAOYSA-N 1 0 323.441 2.591 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000360953383 428507901 /nfs/dbraw/zinc/50/79/01/428507901.db2.gz KPJRJWXAZAIADJ-ZDUSSCGKSA-N 1 0 309.414 2.652 20 5 DFBDRO CCc1nn(C)c(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000360960828 428512139 /nfs/dbraw/zinc/51/21/39/428512139.db2.gz NBQHXOIMWLXZSC-GFCCVEGCSA-N 1 0 323.441 2.813 20 5 DFBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000343076705 428518432 /nfs/dbraw/zinc/51/84/32/428518432.db2.gz NSUUTVQMZUPTCL-UONOGXRCSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H]1[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCOC1(C)C ZINC000357300111 428471730 /nfs/dbraw/zinc/47/17/30/428471730.db2.gz DVRLXZAWCOORQQ-CYBMUJFWSA-N 1 0 308.378 2.863 20 5 DFBDRO C[NH+]1CCC(Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000234314956 273870513 /nfs/dbraw/zinc/87/05/13/273870513.db2.gz BFLORWLQAXEQQZ-UHFFFAOYSA-N 1 0 304.272 2.515 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000353296522 428473514 /nfs/dbraw/zinc/47/35/14/428473514.db2.gz CGDYOCQCBPIBAH-AWEZNQCLSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000347445796 428580873 /nfs/dbraw/zinc/58/08/73/428580873.db2.gz NYMATGQJZWMGOF-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415483827 428587629 /nfs/dbraw/zinc/58/76/29/428587629.db2.gz MYSRDXTZLSRBGB-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415492319 428589158 /nfs/dbraw/zinc/58/91/58/428589158.db2.gz BQUNEWJJRBPIJX-RYUDHWBXSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415499236 428591562 /nfs/dbraw/zinc/59/15/62/428591562.db2.gz KATGYZFTJUURHA-ZDUSSCGKSA-N 1 0 308.382 2.740 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357563292 428544514 /nfs/dbraw/zinc/54/45/14/428544514.db2.gz HFQMENDKMLHLCX-LLVKDONJSA-N 1 0 303.366 2.679 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)nc1 ZINC000373379541 428562041 /nfs/dbraw/zinc/56/20/41/428562041.db2.gz QXQZTDASMIJWLD-GFCCVEGCSA-N 1 0 305.382 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000415294067 428562754 /nfs/dbraw/zinc/56/27/54/428562754.db2.gz KCVMHQUCZRNONP-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415289812 428563246 /nfs/dbraw/zinc/56/32/46/428563246.db2.gz CCOZXLJWHYRZCG-CYBMUJFWSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415307779 428564352 /nfs/dbraw/zinc/56/43/52/428564352.db2.gz ZDMPMJSTFQHZMZ-STQMWFEESA-N 1 0 320.393 2.721 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415308285 428564915 /nfs/dbraw/zinc/56/49/15/428564915.db2.gz ZPHYWKKFKGLQQN-LBPRGKRZSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415588185 428599667 /nfs/dbraw/zinc/59/96/67/428599667.db2.gz XJCULDFPNBEZLA-INIZCTEOSA-N 1 0 320.393 2.723 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000347572563 428607528 /nfs/dbraw/zinc/60/75/28/428607528.db2.gz OYUDVPHFPUKINQ-HNNXBMFYSA-N 1 0 319.386 2.559 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000408171453 428613052 /nfs/dbraw/zinc/61/30/52/428613052.db2.gz JVPDURLYYPETLA-UHFFFAOYSA-N 1 0 304.394 2.671 20 5 DFBDRO COCC[C@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279109939 274040435 /nfs/dbraw/zinc/04/04/35/274040435.db2.gz PCXVZARMVMTZMZ-RDJZCZTQSA-N 1 0 322.405 2.694 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000408306355 428637594 /nfs/dbraw/zinc/63/75/94/428637594.db2.gz CORNUJDWGSRSKJ-STQMWFEESA-N 1 0 320.393 2.768 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000373721708 428640755 /nfs/dbraw/zinc/64/07/55/428640755.db2.gz VXENSALGLJYVGD-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000373735553 428642877 /nfs/dbraw/zinc/64/28/77/428642877.db2.gz HUCAVXTZGWFPFI-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnn(C)c1 ZINC000348184483 428645963 /nfs/dbraw/zinc/64/59/63/428645963.db2.gz GYWFEESWKFNPSC-JYRVWZFOSA-N 1 0 300.362 2.564 20 5 DFBDRO COCC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000358749379 428655698 /nfs/dbraw/zinc/65/56/98/428655698.db2.gz ZAKROIDFMFCRCT-UHFFFAOYSA-N 1 0 319.361 2.985 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+]1CCCC1 ZINC000416093610 428664548 /nfs/dbraw/zinc/66/45/48/428664548.db2.gz KKCAPDUBYSZCNK-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO CC1CCC([NH+]2CCN(c3ncc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000408466621 428667623 /nfs/dbraw/zinc/66/76/23/428667623.db2.gz JIZVUKPWVFBXMJ-UHFFFAOYSA-N 1 0 322.384 2.830 20 5 DFBDRO C[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@H]1C[NH3+] ZINC000261943859 274291945 /nfs/dbraw/zinc/29/19/45/274291945.db2.gz LXUNEICOPMUTJW-ABAIWWIYSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247796715 274302095 /nfs/dbraw/zinc/30/20/95/274302095.db2.gz ZSGMZDGXOXYUKO-RHSMWYFYSA-N 1 0 314.389 2.917 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408063598 274316406 /nfs/dbraw/zinc/31/64/06/274316406.db2.gz WBTBGIZJMODRIL-GUTXKFCHSA-N 1 0 304.394 2.831 20 5 DFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000276712046 274368777 /nfs/dbraw/zinc/36/87/77/274368777.db2.gz YOYSDBCNPCCWKN-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000113248395 274374596 /nfs/dbraw/zinc/37/45/96/274374596.db2.gz LBKNFKFJOIIASF-CHWSQXEVSA-N 1 0 312.373 2.816 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374362424 428677787 /nfs/dbraw/zinc/67/77/87/428677787.db2.gz OYUGLTRWQSLIIF-CQSZACIVSA-N 1 0 320.389 2.852 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353743935 428689409 /nfs/dbraw/zinc/68/94/09/428689409.db2.gz ZBDMGXWUTGJDOH-VXGBXAGGSA-N 1 0 324.377 2.671 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000353749737 428692501 /nfs/dbraw/zinc/69/25/01/428692501.db2.gz MEFUYUZUBQZMKY-GOSISDBHSA-N 1 0 314.385 2.939 20 5 DFBDRO COCC1(O)CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000353865604 428754818 /nfs/dbraw/zinc/75/48/18/428754818.db2.gz LELFCFBWVSWMDK-UHFFFAOYSA-N 1 0 322.405 2.692 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2(C(F)F)CC2)n1 ZINC000359000632 428767593 /nfs/dbraw/zinc/76/75/93/428767593.db2.gz JSGOUYPGAXUYQB-WDEREUQCSA-N 1 0 314.336 2.910 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@H](C)CC[C@H]1C ZINC000411316957 428777328 /nfs/dbraw/zinc/77/73/28/428777328.db2.gz NCMSHODBIYFERA-VXGBXAGGSA-N 1 0 321.377 2.805 20 5 DFBDRO CCOc1cc(N2C[C@H](C)[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000345170554 428781236 /nfs/dbraw/zinc/78/12/36/428781236.db2.gz ILKVTFDQILJLAK-STQMWFEESA-N 1 0 307.394 2.912 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000358955984 428746871 /nfs/dbraw/zinc/74/68/71/428746871.db2.gz RTXGSOQNKLRDIP-FRRDWIJNSA-N 1 0 323.441 2.898 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000362453980 428750191 /nfs/dbraw/zinc/75/01/91/428750191.db2.gz YEWMBXWKKSJQAK-GRYCIOLGSA-N 1 0 321.377 2.518 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362453902 428751424 /nfs/dbraw/zinc/75/14/24/428751424.db2.gz XXJXCYRYSHTLRH-SWLSCSKDSA-N 1 0 306.362 2.604 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000375048405 428797605 /nfs/dbraw/zinc/79/76/05/428797605.db2.gz ICULCMNRWRVIAE-SJCJKPOMSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000353985977 428803950 /nfs/dbraw/zinc/80/39/50/428803950.db2.gz FWSNCWMSLWVWJE-HNNXBMFYSA-N 1 0 313.357 2.952 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000359081963 428807315 /nfs/dbraw/zinc/80/73/15/428807315.db2.gz AFVDOCNXXWVYEW-UHFFFAOYSA-N 1 0 318.377 2.768 20 5 DFBDRO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000362861641 428809303 /nfs/dbraw/zinc/80/93/03/428809303.db2.gz OKIKMXMCNXNXJE-CQSZACIVSA-N 1 0 300.362 2.974 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@@H]2C1 ZINC000375227028 428826295 /nfs/dbraw/zinc/82/62/95/428826295.db2.gz DNQXLTJZRGGHIJ-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471207 274593340 /nfs/dbraw/zinc/59/33/40/274593340.db2.gz BNRKMEKBUYPXFG-IUCAKERBSA-N 1 0 303.284 2.800 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000359136167 428835149 /nfs/dbraw/zinc/83/51/49/428835149.db2.gz GBMIROFSGFDWQD-SSDOTTSWSA-N 1 0 308.256 2.597 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000375282044 428843422 /nfs/dbraw/zinc/84/34/22/428843422.db2.gz XPVBAVBMDDLSAI-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354115067 428867864 /nfs/dbraw/zinc/86/78/64/428867864.db2.gz ADSPFYRJYZADRH-ZDUSSCGKSA-N 1 0 306.362 2.758 20 5 DFBDRO COc1ccc(C[NH+]2CCC(OCC3CC3)CC2)cc1[N+](=O)[O-] ZINC000354112543 428868984 /nfs/dbraw/zinc/86/89/84/428868984.db2.gz YZVMGKHOGOUAOP-UHFFFAOYSA-N 1 0 320.389 2.994 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363183329 428876642 /nfs/dbraw/zinc/87/66/42/428876642.db2.gz UCCDOXKQQPGHKU-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375400749 428876738 /nfs/dbraw/zinc/87/67/38/428876738.db2.gz GJOFXSNPOZNDLB-ZDUSSCGKSA-N 1 0 314.345 2.845 20 5 DFBDRO C[C@@H]1C[C@H](c2cccs2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305200 428901461 /nfs/dbraw/zinc/90/14/61/428901461.db2.gz AFOYDKPPDFHGGO-NEPJUHHUSA-N 1 0 306.391 2.731 20 5 DFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354200406 428912437 /nfs/dbraw/zinc/91/24/37/428912437.db2.gz UMZQIXRRGIULHC-ZIAGYGMSSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219759 428923361 /nfs/dbraw/zinc/92/33/61/428923361.db2.gz DGFHYXPPBFQXQR-HUUCEWRRSA-N 1 0 321.421 2.778 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354219757 428923757 /nfs/dbraw/zinc/92/37/57/428923757.db2.gz DGFHYXPPBFQXQR-GJZGRUSLSA-N 1 0 321.421 2.778 20 5 DFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000354331295 428971379 /nfs/dbraw/zinc/97/13/79/428971379.db2.gz CSYXLGKDEMLWQX-IUODEOHRSA-N 1 0 308.378 2.898 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000363488685 428928779 /nfs/dbraw/zinc/92/87/79/428928779.db2.gz QBQRKTBSNIPXHV-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412064079 428935247 /nfs/dbraw/zinc/93/52/47/428935247.db2.gz BPTZIMKCEZDVKM-KGLIPLIRSA-N 1 0 322.405 2.975 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2Cc3ccccc3C3(CCC3)C2)n1 ZINC000375690840 428941998 /nfs/dbraw/zinc/94/19/98/428941998.db2.gz RCXIADDPWGAGTI-UHFFFAOYSA-N 1 0 312.373 2.729 20 5 DFBDRO Cc1cc(NC[C@H]([NH3+])c2ccc(C(C)C)cc2)ncc1[N+](=O)[O-] ZINC000420206015 428947313 /nfs/dbraw/zinc/94/73/13/428947313.db2.gz DPLOONZTCFTLQU-HNNXBMFYSA-N 1 0 314.389 3.534 20 5 DFBDRO Cc1cc(NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)ncc1[N+](=O)[O-] ZINC000420206016 428949063 /nfs/dbraw/zinc/94/90/63/428949063.db2.gz DPLOONZTCFTLQU-OAHLLOKOSA-N 1 0 314.389 3.534 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420242415 428949639 /nfs/dbraw/zinc/94/96/39/428949639.db2.gz VHZWVBCFRKBNBS-KBPBESRZSA-N 1 0 312.373 3.339 20 5 DFBDRO C[C@H](CCC[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420271348 428954467 /nfs/dbraw/zinc/95/44/67/428954467.db2.gz VOZLRGXJTDVXGI-GFCCVEGCSA-N 1 0 300.362 3.196 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420278856 428955732 /nfs/dbraw/zinc/95/57/32/428955732.db2.gz SAPILIDZCRNBSH-ZYHUDNBSSA-N 1 0 318.402 3.258 20 5 DFBDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000349315008 428961017 /nfs/dbraw/zinc/96/10/17/428961017.db2.gz SCNBIKVKRLFKQP-UDGJJRABSA-N 1 0 308.378 2.971 20 5 DFBDRO Cc1cc(N2CCc3c(ncn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363669638 428965177 /nfs/dbraw/zinc/96/51/77/428965177.db2.gz FLIPLVBPBRSVTC-UHFFFAOYSA-N 1 0 323.356 2.748 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451910338 429016827 /nfs/dbraw/zinc/01/68/27/429016827.db2.gz MYUCDGQYZGLACY-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433284922 429018088 /nfs/dbraw/zinc/01/80/88/429018088.db2.gz HEVNGUSLZKIDRG-WBMJQRKESA-N 1 0 317.389 2.528 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000421744859 429024077 /nfs/dbraw/zinc/02/40/77/429024077.db2.gz QQDBZTDGSLMRNZ-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000421740691 429024115 /nfs/dbraw/zinc/02/41/15/429024115.db2.gz LFQNOKQEYNHPPW-UHFFFAOYSA-N 1 0 319.405 2.625 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421755407 429027437 /nfs/dbraw/zinc/02/74/37/429027437.db2.gz GGFQRCULUXXVPZ-CQSZACIVSA-N 1 0 319.405 2.673 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421768406 429031284 /nfs/dbraw/zinc/03/12/84/429031284.db2.gz NYHXFYVXMBDKQP-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1[N+](=O)[O-] ZINC000375798207 428979470 /nfs/dbraw/zinc/97/94/70/428979470.db2.gz WEVODSQJDGNKAQ-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1ccc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000375809586 428982917 /nfs/dbraw/zinc/98/29/17/428982917.db2.gz FHAXYVBITQTYMO-GJZGRUSLSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000433060450 428989433 /nfs/dbraw/zinc/98/94/33/428989433.db2.gz HBYFYVPCDSDKEO-CVSAEHQPSA-N 1 0 320.389 2.503 20 5 DFBDRO COc1cc(C[N@@H+](C)[C@@H]2C[C@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839714 428993899 /nfs/dbraw/zinc/99/38/99/428993899.db2.gz DITIERVJGIPGIG-CVEARBPZSA-N 1 0 320.389 2.993 20 5 DFBDRO CCc1ccc(C(=O)NCCC[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349546285 429002412 /nfs/dbraw/zinc/00/24/12/429002412.db2.gz NNHAHUBDNNVRKL-UHFFFAOYSA-N 1 0 307.394 2.617 20 5 DFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCSC1 ZINC000433195502 429010154 /nfs/dbraw/zinc/01/01/54/429010154.db2.gz VWMMWROLOHERBI-OAHLLOKOSA-N 1 0 310.419 2.939 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000423470830 429092216 /nfs/dbraw/zinc/09/22/16/429092216.db2.gz DLPOHPIVLGPFLM-ZIAGYGMSSA-N 1 0 311.332 2.559 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000452006921 429037418 /nfs/dbraw/zinc/03/74/18/429037418.db2.gz MNKUMXWSOMXGOL-LBPRGKRZSA-N 1 0 305.378 2.821 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000452072135 429048544 /nfs/dbraw/zinc/04/85/44/429048544.db2.gz SSCAKOARNWJQSZ-AVGNSLFASA-N 1 0 319.405 2.998 20 5 DFBDRO CC(C)(C)C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452086099 429054086 /nfs/dbraw/zinc/05/40/86/429054086.db2.gz WYFHEGPLPAJSFS-ZDUSSCGKSA-N 1 0 307.394 2.515 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376107795 429058648 /nfs/dbraw/zinc/05/86/48/429058648.db2.gz XNFBPYXISVAYBK-STQMWFEESA-N 1 0 303.362 2.836 20 5 DFBDRO C[C@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1[NH3+] ZINC000423958601 429065765 /nfs/dbraw/zinc/06/57/65/429065765.db2.gz DSYJMNUTVFHKNG-YVEFUNNKSA-N 1 0 305.381 2.807 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423978799 429069975 /nfs/dbraw/zinc/06/99/75/429069975.db2.gz QQNALHGFVRJRKE-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CCOc1ccc([C@H](C)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423356030 429071646 /nfs/dbraw/zinc/07/16/46/429071646.db2.gz GKEIVTHQIQXXFC-GXTWGEPZSA-N 1 0 307.394 2.786 20 5 DFBDRO CCOc1ccc([C@@H](C)NCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000423356031 429072445 /nfs/dbraw/zinc/07/24/45/429072445.db2.gz GKEIVTHQIQXXFC-TZMCWYRMSA-N 1 0 307.394 2.786 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435596534 429150466 /nfs/dbraw/zinc/15/04/66/429150466.db2.gz HYQDCAXIKCJXQO-ZDUSSCGKSA-N 1 0 307.398 2.537 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000363992134 429152204 /nfs/dbraw/zinc/15/22/04/429152204.db2.gz IQNIHNCAPQXBHN-HNNXBMFYSA-N 1 0 314.389 2.926 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000363992135 429153473 /nfs/dbraw/zinc/15/34/73/429153473.db2.gz IQNIHNCAPQXBHN-OAHLLOKOSA-N 1 0 314.389 2.926 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000435624353 429155813 /nfs/dbraw/zinc/15/58/13/429155813.db2.gz JFVHHGVLDBSGIQ-OAHLLOKOSA-N 1 0 321.421 2.956 20 5 DFBDRO [NH3+]C1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000434658709 429102006 /nfs/dbraw/zinc/10/20/06/429102006.db2.gz HRXLPPFDVLIQJK-UHFFFAOYSA-N 1 0 318.402 2.641 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000423514037 429105291 /nfs/dbraw/zinc/10/52/91/429105291.db2.gz CUDQETFLZYJATK-QGZVFWFLSA-N 1 0 319.405 2.640 20 5 DFBDRO CC1(c2ccc(F)cc2)CC([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000376452890 429115178 /nfs/dbraw/zinc/11/51/78/429115178.db2.gz AHUZOCAJMZFWJZ-UHFFFAOYSA-N 1 0 318.352 2.640 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000413023532 429124144 /nfs/dbraw/zinc/12/41/44/429124144.db2.gz AYFFTBHIVWMXCH-JKSUJKDBSA-N 1 0 319.405 2.546 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000413031594 429124251 /nfs/dbraw/zinc/12/42/51/429124251.db2.gz XPXSHECLQFKTBG-CYBMUJFWSA-N 1 0 318.352 2.714 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363874802 429131516 /nfs/dbraw/zinc/13/15/16/429131516.db2.gz JFQPAJQPVHCYEJ-NJAFHUGGSA-N 1 0 315.417 2.819 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578595 429140952 /nfs/dbraw/zinc/14/09/52/429140952.db2.gz CCNUIJSQZZHFEX-OLZOCXBDSA-N 1 0 323.418 2.745 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[N@@H+](C2CC2)CC1 ZINC000365025582 275034478 /nfs/dbraw/zinc/03/44/78/275034478.db2.gz HXVKOZUMWCXZKM-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000319354740 275035205 /nfs/dbraw/zinc/03/52/05/275035205.db2.gz WECMEXDHRFHEBV-ZACQAIPSSA-N 1 0 304.390 2.763 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F ZINC000320012602 275036937 /nfs/dbraw/zinc/03/69/37/275036937.db2.gz GOOGTKLEIXWBRV-JOYOIKCWSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000301378665 275037025 /nfs/dbraw/zinc/03/70/25/275037025.db2.gz XKVQZUDXRGIBKB-LNSITVRQSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c1 ZINC000288564256 275039125 /nfs/dbraw/zinc/03/91/25/275039125.db2.gz MMNKAUOCMASURD-AWEZNQCLSA-N 1 0 302.305 2.827 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000291781229 275041766 /nfs/dbraw/zinc/04/17/66/275041766.db2.gz CMCBUDPDQYHQEM-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000364020402 429159312 /nfs/dbraw/zinc/15/93/12/429159312.db2.gz PVFFTWUONCPFPD-JKSUJKDBSA-N 1 0 317.389 2.602 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3cc(F)ccc3[N+](=O)[O-])C2)CC1 ZINC000364184502 429173026 /nfs/dbraw/zinc/17/30/26/429173026.db2.gz BNJPJHHGZDQCCF-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCOCC3(CCCC3)C2)c1 ZINC000364321096 429181956 /nfs/dbraw/zinc/18/19/56/429181956.db2.gz BEGPMMWXVNEBDH-INIZCTEOSA-N 1 0 320.389 2.521 20 5 DFBDRO Cc1cc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000364333788 429184290 /nfs/dbraw/zinc/18/42/90/429184290.db2.gz CYARUBQTILWJHX-GFCCVEGCSA-N 1 0 306.391 2.651 20 5 DFBDRO CC[C@]1(O)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000495227759 429190711 /nfs/dbraw/zinc/19/07/11/429190711.db2.gz YVYALKBHIFPLRB-INIZCTEOSA-N 1 0 308.378 2.729 20 5 DFBDRO COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495512936 429215872 /nfs/dbraw/zinc/21/58/72/429215872.db2.gz JXRDNPLOGZEAHD-JSGCOSHPSA-N 1 0 321.377 2.551 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CO)[C@@H]1C ZINC000488762574 429197178 /nfs/dbraw/zinc/19/71/78/429197178.db2.gz DJYUIFNSMMJMDN-QWHCGFSZSA-N 1 0 308.378 2.585 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425356001 429276579 /nfs/dbraw/zinc/27/65/79/429276579.db2.gz NAVLBZHKDWKHRT-GMMCIKNFSA-N 1 0 313.361 2.606 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1(C)CCCC1 ZINC000490121559 429278398 /nfs/dbraw/zinc/27/83/98/429278398.db2.gz WZNNFCZCASFDLF-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000365437302 429319558 /nfs/dbraw/zinc/31/95/58/429319558.db2.gz LXMSPKOYASBMPM-OLZOCXBDSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCN(C2CC2)CC1 ZINC000449070790 429323282 /nfs/dbraw/zinc/32/32/82/429323282.db2.gz LICHZMFKXYLRIO-ZDUSSCGKSA-N 1 0 303.406 2.742 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CN1CCCCC1 ZINC000449071359 429323642 /nfs/dbraw/zinc/32/36/42/429323642.db2.gz BFNOVTKDCCVVFB-CABCVRRESA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000449084030 429327643 /nfs/dbraw/zinc/32/76/43/429327643.db2.gz WEMLQXUEVQAHBF-CABCVRRESA-N 1 0 305.422 2.847 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)C1CCCC1 ZINC000449130302 429340238 /nfs/dbraw/zinc/34/02/38/429340238.db2.gz YHYNREACNBSUQS-CQSZACIVSA-N 1 0 305.422 2.990 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365370284 429307262 /nfs/dbraw/zinc/30/72/62/429307262.db2.gz UPBCZMYXKUNKNT-GOEBONIOSA-N 1 0 319.405 2.816 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425496246 429310490 /nfs/dbraw/zinc/31/04/90/429310490.db2.gz AGRALQIGXMZFOT-WFASDCNBSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCOC1 ZINC000449163893 429347119 /nfs/dbraw/zinc/34/71/19/429347119.db2.gz NWGGASLBYNMODF-HUUCEWRRSA-N 1 0 322.405 2.559 20 5 DFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000426455661 429392319 /nfs/dbraw/zinc/39/23/19/429392319.db2.gz BODRYQZNXRPRCD-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449346923 429395102 /nfs/dbraw/zinc/39/51/02/429395102.db2.gz FEFGUYGQTATCET-NSHDSACASA-N 1 0 313.348 2.975 20 5 DFBDRO COCCC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365887719 429395878 /nfs/dbraw/zinc/39/58/78/429395878.db2.gz YMDUBTUKWJBJMA-UHFFFAOYSA-N 1 0 305.378 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c(F)c1 ZINC000449363714 429398497 /nfs/dbraw/zinc/39/84/97/429398497.db2.gz QIYATRYSPKTSSI-OAHLLOKOSA-N 1 0 322.311 2.566 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000449188009 429353055 /nfs/dbraw/zinc/35/30/55/429353055.db2.gz FLJTXRLAJQKCJH-XJKCOSOUSA-N 1 0 303.406 2.598 20 5 DFBDRO COC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCCC1 ZINC000425990689 429356098 /nfs/dbraw/zinc/35/60/98/429356098.db2.gz OAOHXPXAFQGUGV-UHFFFAOYSA-N 1 0 322.409 2.778 20 5 DFBDRO CC(C)N1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1=O ZINC000192998290 275644405 /nfs/dbraw/zinc/64/44/05/275644405.db2.gz GHNMCYUGXFLCGG-HOTGVXAUSA-N 1 0 317.389 2.571 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000426223864 429374052 /nfs/dbraw/zinc/37/40/52/429374052.db2.gz FELQQJATLARSIK-UHFFFAOYSA-N 1 0 322.405 2.991 20 5 DFBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852582 429387483 /nfs/dbraw/zinc/38/74/83/429387483.db2.gz AGYJNASOZVPPTD-GDBMZVCRSA-N 1 0 314.389 2.978 20 5 DFBDRO Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365852585 429387740 /nfs/dbraw/zinc/38/77/40/429387740.db2.gz AGYJNASOZVPPTD-ZBFHGGJFSA-N 1 0 314.389 2.978 20 5 DFBDRO C[C@H](c1nc(C2([NH3+])CCCC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000518977244 429441585 /nfs/dbraw/zinc/44/15/85/429441585.db2.gz FIGQUPNINHIGJG-JTQLQIEISA-N 1 0 302.334 2.858 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449583157 429455750 /nfs/dbraw/zinc/45/57/50/429455750.db2.gz HRLFRMCCHHUUIX-VGVVRCBHSA-N 1 0 300.362 2.562 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127728385 275703078 /nfs/dbraw/zinc/70/30/78/275703078.db2.gz MDLOWBIISDRHDA-GFCCVEGCSA-N 1 0 313.785 2.694 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000491806321 429412627 /nfs/dbraw/zinc/41/26/27/429412627.db2.gz GWFDFKIDKJGVSO-JSGCOSHPSA-N 1 0 308.378 2.898 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427130308 429434016 /nfs/dbraw/zinc/43/40/16/429434016.db2.gz GYUDTHHARVYGQD-GOEBONIOSA-N 1 0 303.406 2.902 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000449498424 429435268 /nfs/dbraw/zinc/43/52/68/429435268.db2.gz LHXRHKWGZMGJIJ-SWLSCSKDSA-N 1 0 308.378 2.850 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449510410 429437595 /nfs/dbraw/zinc/43/75/95/429437595.db2.gz LBJDEJYMEYUPLS-XCRGBYMUSA-N 1 0 318.373 2.929 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000449685562 429478860 /nfs/dbraw/zinc/47/88/60/429478860.db2.gz SNBHMCRRZWDZLU-ZDUSSCGKSA-N 1 0 308.378 2.900 20 5 DFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838324 429530490 /nfs/dbraw/zinc/53/04/90/429530490.db2.gz XKFNRZPSJUMNGM-RLCCDNCMSA-N 1 0 301.390 2.654 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000367037250 429563517 /nfs/dbraw/zinc/56/35/17/429563517.db2.gz KNXWSBYROBUCNT-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000429020045 429572724 /nfs/dbraw/zinc/57/27/24/429572724.db2.gz MJFURHUNIDYGHL-OAHLLOKOSA-N 1 0 309.797 2.776 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)c2cc([N+](=O)[O-])ccc21 ZINC000279144483 275868756 /nfs/dbraw/zinc/86/87/56/275868756.db2.gz SEMLQYXAUVWSSJ-OZVIIMIRSA-N 1 0 302.374 2.844 20 5 DFBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000332072619 275896336 /nfs/dbraw/zinc/89/63/36/275896336.db2.gz XFUHLJMNAMPZEV-KGLIPLIRSA-N 1 0 322.409 2.681 20 5 DFBDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558350 429615713 /nfs/dbraw/zinc/61/57/13/429615713.db2.gz FCJMJAJFVHZQMV-TZMCWYRMSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429575044 429618471 /nfs/dbraw/zinc/61/84/71/429618471.db2.gz CDWGGGZDBAIVGM-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492847214 429629177 /nfs/dbraw/zinc/62/91/77/429629177.db2.gz LYRLDGWRKKAUOU-GUYCJALGSA-N 1 0 322.405 2.976 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000524684992 429631216 /nfs/dbraw/zinc/63/12/16/429631216.db2.gz PVYSSYOHPACSKS-HNNXBMFYSA-N 1 0 318.421 3.446 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000367453061 429649441 /nfs/dbraw/zinc/64/94/41/429649441.db2.gz XVTKNTRRDCDLHE-HUUCEWRRSA-N 1 0 306.362 2.747 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429240386 429590425 /nfs/dbraw/zinc/59/04/25/429590425.db2.gz TVUQBXCBHAQNKM-LLVKDONJSA-N 1 0 302.305 2.697 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450285161 429593663 /nfs/dbraw/zinc/59/36/63/429593663.db2.gz NBFYERMHSWNHSW-NSHDSACASA-N 1 0 320.418 3.470 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CCCO)ccc1[N+](=O)[O-] ZINC000492694880 429595532 /nfs/dbraw/zinc/59/55/32/429595532.db2.gz GNTQPZKQHIQQDI-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429382407 429605546 /nfs/dbraw/zinc/60/55/46/429605546.db2.gz SXRXYLKMOZHTBR-GJZGRUSLSA-N 1 0 306.362 2.614 20 5 DFBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000429396924 429605955 /nfs/dbraw/zinc/60/59/55/429605955.db2.gz XTWSOKOGWXWBHL-GFCCVEGCSA-N 1 0 309.435 2.963 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000492750375 429607696 /nfs/dbraw/zinc/60/76/96/429607696.db2.gz QKXKDJIUFFZPEI-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1cc(C[N@H+](CCCCO)C2CC2)ccc1[N+](=O)[O-] ZINC000492766630 429610540 /nfs/dbraw/zinc/61/05/40/429610540.db2.gz GEZQTHIAMFRYEX-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000430219001 429662891 /nfs/dbraw/zinc/66/28/91/429662891.db2.gz KGABKFAAFDBDBL-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246426 429668188 /nfs/dbraw/zinc/66/81/88/429668188.db2.gz WFLXIXZTSGQGMR-AWEZNQCLSA-N 1 0 321.421 2.767 20 5 DFBDRO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000179548255 276052959 /nfs/dbraw/zinc/05/29/59/276052959.db2.gz IGKWUEQAUSEYPP-OAHLLOKOSA-N 1 0 303.406 2.998 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000367564164 429672114 /nfs/dbraw/zinc/67/21/14/429672114.db2.gz HLVBQEKHRCXFGR-UHFFFAOYSA-N 1 0 306.362 2.652 20 5 DFBDRO CCOCCO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000269722142 276327042 /nfs/dbraw/zinc/32/70/42/276327042.db2.gz VKXCLUYWOMUXOM-KGLIPLIRSA-N 1 0 308.378 2.783 20 5 DFBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000295740786 276408546 /nfs/dbraw/zinc/40/85/46/276408546.db2.gz SQSWDBLWSKFPLS-WFASDCNBSA-N 1 0 307.394 2.892 20 5 DFBDRO CCOc1cccc(N2CC[NH+]([C@@H](C)CC)CC2)c1[N+](=O)[O-] ZINC000450860541 429715325 /nfs/dbraw/zinc/71/53/25/429715325.db2.gz OEVJFPPPCIDVMF-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000450921189 429730876 /nfs/dbraw/zinc/73/08/76/429730876.db2.gz FIPPSIIRZNGBTK-UHFFFAOYSA-N 1 0 324.400 2.562 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493293884 429731010 /nfs/dbraw/zinc/73/10/10/429731010.db2.gz MFSFRPNYDSWBFH-GMNBZTITSA-N 1 0 323.368 2.627 20 5 DFBDRO CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000493429514 429762125 /nfs/dbraw/zinc/76/21/25/429762125.db2.gz IPPYESXIYGWGIO-VSGCLNPGSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1C ZINC000487081878 429764222 /nfs/dbraw/zinc/76/42/22/429764222.db2.gz AIMBHOJTJRAFMM-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO CCOc1cccc(N2CC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302114575 276498624 /nfs/dbraw/zinc/49/86/24/276498624.db2.gz QYLWWTXOOBDHEI-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368236270 429815549 /nfs/dbraw/zinc/81/55/49/429815549.db2.gz SSSXMNJFVWIOSB-RCBQFDQVSA-N 1 0 317.389 2.522 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432349294 429816222 /nfs/dbraw/zinc/81/62/22/429816222.db2.gz UYOBXDDXENUDDK-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1ccc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000432844662 429844773 /nfs/dbraw/zinc/84/47/73/429844773.db2.gz FNKCJGXOUNDEPA-CQSZACIVSA-N 1 0 307.394 2.816 20 5 DFBDRO Nc1ncccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550060 429851855 /nfs/dbraw/zinc/85/18/55/429851855.db2.gz QRPONHYSPZTRJR-AWEZNQCLSA-N 1 0 312.373 2.952 20 5 DFBDRO Cn1nccc1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553670 429853811 /nfs/dbraw/zinc/85/38/11/429853811.db2.gz YMUVQSXOWPTJMJ-HNNXBMFYSA-N 1 0 314.389 2.750 20 5 DFBDRO CC(C)N(C)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451560869 429855434 /nfs/dbraw/zinc/85/54/34/429855434.db2.gz IJYFKXABJLFRNR-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451613490 429861731 /nfs/dbraw/zinc/86/17/31/429861731.db2.gz QVTQXBBEUFKOEK-CJNGLKHVSA-N 1 0 308.353 2.621 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493695628 429811212 /nfs/dbraw/zinc/81/12/12/429811212.db2.gz XBGOYICJXFXOKJ-KHPPLWFESA-N 1 0 319.405 2.845 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451743295 429881943 /nfs/dbraw/zinc/88/19/43/429881943.db2.gz TWJNAUMGEAGZOA-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670615 429885113 /nfs/dbraw/zinc/88/51/13/429885113.db2.gz FGHMPIMFPISTHR-SJORKVTESA-N 1 0 317.389 2.570 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000368690731 429887458 /nfs/dbraw/zinc/88/74/58/429887458.db2.gz XFJYEJAYUPMGBG-NWDGAFQWSA-N 1 0 323.418 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000368904130 429901223 /nfs/dbraw/zinc/90/12/23/429901223.db2.gz IPNGXTYIQVKVLR-CVEARBPZSA-N 1 0 306.362 2.521 20 5 DFBDRO Cc1ccc(CC[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369012986 429907339 /nfs/dbraw/zinc/90/73/39/429907339.db2.gz XGZMUGALAOMUPS-INIZCTEOSA-N 1 0 314.389 2.979 20 5 DFBDRO CC[C@@H]([NH2+]CCN1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494472541 429874553 /nfs/dbraw/zinc/87/45/53/429874553.db2.gz HBFHFWUTEHAZTQ-IAGOWNOFSA-N 1 0 321.421 2.746 20 5 DFBDRO CC(=O)c1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000557520626 429943010 /nfs/dbraw/zinc/94/30/10/429943010.db2.gz BLGOBBJIXQPYEL-GFCCVEGCSA-N 1 0 303.362 2.694 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000560267898 430028102 /nfs/dbraw/zinc/02/81/02/430028102.db2.gz WQWASENAIIJPDD-XEZPLFJOSA-N 1 0 324.421 2.712 20 5 DFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000362348500 276787144 /nfs/dbraw/zinc/78/71/44/276787144.db2.gz JSXMCHVNOHJBLW-UHFFFAOYSA-N 1 0 318.352 2.794 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000574424248 430042860 /nfs/dbraw/zinc/04/28/60/430042860.db2.gz MZSSJWIKZWXPSH-BETUJISGSA-N 1 0 318.377 2.570 20 5 DFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000560483717 430047834 /nfs/dbraw/zinc/04/78/34/430047834.db2.gz HNRXMMFIMGNUBG-MWLCHTKSSA-N 1 0 319.386 2.761 20 5 DFBDRO Cc1cncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000560002490 430017570 /nfs/dbraw/zinc/01/75/70/430017570.db2.gz LKOUQUXQBJILHP-LSDHHAIUSA-N 1 0 315.377 2.768 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000562293840 430117029 /nfs/dbraw/zinc/11/70/29/430117029.db2.gz TZUHFTCMPMYJHP-HZMBPMFUSA-N 1 0 321.377 2.709 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530542728 430119678 /nfs/dbraw/zinc/11/96/78/430119678.db2.gz CARZPCBKSTVFGC-CYBMUJFWSA-N 1 0 314.389 3.285 20 5 DFBDRO C[NH+]1CCC2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000366829015 277036594 /nfs/dbraw/zinc/03/65/94/277036594.db2.gz DZNBGSDZQCXANV-UHFFFAOYSA-N 1 0 324.812 2.955 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000192513621 277173609 /nfs/dbraw/zinc/17/36/09/277173609.db2.gz GRLQAWZVRYABQD-AAEUAGOBSA-N 1 0 304.375 2.909 20 5 DFBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000151001826 277300081 /nfs/dbraw/zinc/30/00/81/277300081.db2.gz BZRMBIXZXZADJA-ZDUSSCGKSA-N 1 0 319.405 2.716 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1ccccc1O ZINC000542318784 430208804 /nfs/dbraw/zinc/20/88/04/430208804.db2.gz ZXVPUSVUMZVLHD-UHFFFAOYSA-N 1 0 316.357 2.854 20 5 DFBDRO COC(=O)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000064558862 277317009 /nfs/dbraw/zinc/31/70/09/277317009.db2.gz BNBLBSVDCTWFNO-UHFFFAOYSA-N 1 0 308.378 2.658 20 5 DFBDRO CC(C)=CCC[C@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123433977 277324262 /nfs/dbraw/zinc/32/42/62/277324262.db2.gz FMGXIJCGGUATTB-IAOVAPTHSA-N 1 0 322.405 2.714 20 5 DFBDRO C[C@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060816 430272495 /nfs/dbraw/zinc/27/24/95/430272495.db2.gz AHTBUTVZHAIHED-QWHCGFSZSA-N 1 0 310.394 2.701 20 5 DFBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544529325 430284330 /nfs/dbraw/zinc/28/43/30/430284330.db2.gz LUVLMUOTKZSWBW-GDBMZVCRSA-N 1 0 322.405 2.989 20 5 DFBDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568500802 430363324 /nfs/dbraw/zinc/36/33/24/430363324.db2.gz GJXLHYOBOONYKT-JSGCOSHPSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000546690209 430364316 /nfs/dbraw/zinc/36/43/16/430364316.db2.gz FKXGARUNLQALIH-AWEZNQCLSA-N 1 0 320.389 2.927 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000547305977 430383956 /nfs/dbraw/zinc/38/39/56/430383956.db2.gz PJRSSIOKBFKKGA-CXAGYDPISA-N 1 0 322.405 2.731 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1O ZINC000568763751 430389906 /nfs/dbraw/zinc/38/99/06/430389906.db2.gz IRRPPVNHWVHQOL-NEPJUHHUSA-N 1 0 318.295 2.863 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000583390804 430391396 /nfs/dbraw/zinc/39/13/96/430391396.db2.gz BEIDOYWOKQXEIH-MRXNPFEDSA-N 1 0 301.390 2.799 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000548135818 430451240 /nfs/dbraw/zinc/45/12/40/430451240.db2.gz BXWPSIACMOUYBD-LBPRGKRZSA-N 1 0 319.405 2.646 20 5 DFBDRO CC(C)(C)OCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569553473 430464435 /nfs/dbraw/zinc/46/44/35/430464435.db2.gz RBKGVZSOKBLHRG-QWHCGFSZSA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CC12CCOCC2 ZINC000569623089 430472521 /nfs/dbraw/zinc/47/25/21/430472521.db2.gz KZHROKAJYREXQK-IUODEOHRSA-N 1 0 302.374 2.988 20 5 DFBDRO Cc1cc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000583740777 430424271 /nfs/dbraw/zinc/42/42/71/430424271.db2.gz SLAKZSBZXORGPR-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000548520011 430483994 /nfs/dbraw/zinc/48/39/94/430483994.db2.gz CTDDKTZOHQLVIC-LLVKDONJSA-N 1 0 311.407 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N2CCCC[C@H]12 ZINC000549039574 430515845 /nfs/dbraw/zinc/51/58/45/430515845.db2.gz QJQSGRQHASZWBX-APHBMKBZSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000610715948 430564863 /nfs/dbraw/zinc/56/48/63/430564863.db2.gz IXGIHIFETBVYNV-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DFBDRO CCc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000552012547 430577210 /nfs/dbraw/zinc/57/72/10/430577210.db2.gz PRLZEASGPBXULM-UHFFFAOYSA-N 1 0 301.346 2.721 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000555340488 430665663 /nfs/dbraw/zinc/66/56/63/430665663.db2.gz GFFPQHLYNATEQT-ZDUSSCGKSA-N 1 0 319.405 2.790 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000555313320 430665741 /nfs/dbraw/zinc/66/57/41/430665741.db2.gz AIAMOPAKYKVRMT-HEHGZKQESA-N 1 0 319.405 2.543 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCn4ccnc43)c2c1 ZINC000572110358 430671187 /nfs/dbraw/zinc/67/11/87/430671187.db2.gz FOMAOTXVXZYIRL-OAHLLOKOSA-N 1 0 311.345 2.550 20 5 DFBDRO COc1cccc(N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000262097585 278015678 /nfs/dbraw/zinc/01/56/78/278015678.db2.gz ILSJXLXZVMXVLF-UHFFFAOYSA-N 1 0 305.378 2.572 20 5 DFBDRO COC(=O)c1cc(N[C@H](C)C[N@H+](C)C(C)C)cc(C)c1[N+](=O)[O-] ZINC000572537603 430690511 /nfs/dbraw/zinc/69/05/11/430690511.db2.gz ZURBLJCUPBHMOO-GFCCVEGCSA-N 1 0 323.393 2.830 20 5 DFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H]1[NH+]1CCCC1 ZINC000274672785 278157105 /nfs/dbraw/zinc/15/71/05/278157105.db2.gz LWPKVGGEBLWPBD-HUUCEWRRSA-N 1 0 307.419 2.611 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358268702 288089150 /nfs/dbraw/zinc/08/91/50/288089150.db2.gz SLXJZYVMRVRFBU-ILXRZTDVSA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000287073552 279088010 /nfs/dbraw/zinc/08/80/10/279088010.db2.gz VAOHIXRAUZPMDB-PBHICJAKSA-N 1 0 303.406 2.696 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295677388 279088902 /nfs/dbraw/zinc/08/89/02/279088902.db2.gz LFWCSXCYTYXCMX-ABAIWWIYSA-N 1 0 315.377 2.534 20 5 DFBDRO Cc1nc(N2CCCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301675774 279089844 /nfs/dbraw/zinc/08/98/44/279089844.db2.gz SGXGNDYUERDQJO-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271606015 279144428 /nfs/dbraw/zinc/14/44/28/279144428.db2.gz BOUWKVPFZMHYRD-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000279764099 279160357 /nfs/dbraw/zinc/16/03/57/279160357.db2.gz VYOPBKLGDDDHPH-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000278361727 279181881 /nfs/dbraw/zinc/18/18/81/279181881.db2.gz PYGQRRICXMUSBA-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201131 279185588 /nfs/dbraw/zinc/18/55/88/279185588.db2.gz FWJWMGPPYDXWOC-HZSPNIEDSA-N 1 0 319.405 2.815 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000262031613 279420081 /nfs/dbraw/zinc/42/00/81/279420081.db2.gz YYEQUYSOFOBMMR-RYUDHWBXSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262789509 279909025 /nfs/dbraw/zinc/90/90/25/279909025.db2.gz MWZBHDRKYMJJMF-CABZTGNLSA-N 1 0 319.386 2.537 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286465843 279997367 /nfs/dbraw/zinc/99/73/67/279997367.db2.gz VKGOPSGBGHTEER-AAEUAGOBSA-N 1 0 315.377 2.534 20 5 DFBDRO CC[C@@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000271742663 280080463 /nfs/dbraw/zinc/08/04/63/280080463.db2.gz WNGKSJWTLMPCTE-JSGCOSHPSA-N 1 0 307.394 2.892 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287339657 280658446 /nfs/dbraw/zinc/65/84/46/280658446.db2.gz VVNVIEFBSVBBDP-XJKSGUPXSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894395 281186107 /nfs/dbraw/zinc/18/61/07/281186107.db2.gz SFWJOVLGUVTYNF-UONOGXRCSA-N 1 0 304.394 2.751 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298755 281195872 /nfs/dbraw/zinc/19/58/72/281195872.db2.gz UCZVXNOGXONZJD-WDEREUQCSA-N 1 0 310.785 2.706 20 5 DFBDRO Cc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364099501 281230508 /nfs/dbraw/zinc/23/05/08/281230508.db2.gz VCQPVKOTPPOLMY-ZNMIVQPWSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000278029166 281257609 /nfs/dbraw/zinc/25/76/09/281257609.db2.gz QWIOOCPLKOGNSD-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cnc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000266177983 281598888 /nfs/dbraw/zinc/59/88/88/281598888.db2.gz BOGIHHLYHHOORV-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415755362 289130506 /nfs/dbraw/zinc/13/05/06/289130506.db2.gz CRGRKPXLRTYXEO-DGCLKSJQSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415765868 289133175 /nfs/dbraw/zinc/13/31/75/289133175.db2.gz RRCMELRRUOTZJU-LLVKDONJSA-N 1 0 308.382 2.796 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267424341 290358165 /nfs/dbraw/zinc/35/81/65/290358165.db2.gz LGIWSJHWQJYSKQ-LMWSTFAQSA-N 1 0 305.378 2.550 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2C[NH2+]CCCO2)c(Cl)c1 ZINC000390269408 295478067 /nfs/dbraw/zinc/47/80/67/295478067.db2.gz XSTNKAIXHMIFPQ-VIFPVBQESA-N 1 0 320.176 2.692 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411951111 295570727 /nfs/dbraw/zinc/57/07/27/295570727.db2.gz PQRSVDMXDFNUCO-ZBEGNZNMSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485748 297094558 /nfs/dbraw/zinc/09/45/58/297094558.db2.gz FHDISPXMSDIVFV-QWHCGFSZSA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000438490344 297095237 /nfs/dbraw/zinc/09/52/37/297095237.db2.gz OWAVRXQROYEIHU-ZDUSSCGKSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1c(CC(=O)Nc2cccc3nccn32)cccc1[N+](=O)[O-] ZINC000439968939 297141810 /nfs/dbraw/zinc/14/18/10/297141810.db2.gz RDYRYVSMAYREGG-UHFFFAOYSA-N 1 0 310.313 2.732 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441212232 297176081 /nfs/dbraw/zinc/17/60/81/297176081.db2.gz UAFIXACBUWRACC-OLZOCXBDSA-N 1 0 308.353 2.982 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CC2([S@@](C)=O)CC2)cc1[N+](=O)[O-] ZINC000441372151 297181524 /nfs/dbraw/zinc/18/15/24/297181524.db2.gz BLPWUHKBEJDDIO-OAQYLSRUSA-N 1 0 310.419 2.719 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCO1 ZINC000444679972 297244607 /nfs/dbraw/zinc/24/46/07/297244607.db2.gz OCRQHZFPPFUEMB-FZMZJTMJSA-N 1 0 304.350 2.518 20 5 DFBDRO CC[C@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446832511 297287558 /nfs/dbraw/zinc/28/75/58/297287558.db2.gz BRHDZZJLUAZZMQ-YPMHNXCESA-N 1 0 318.377 2.766 20 5 DFBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446838195 297288054 /nfs/dbraw/zinc/28/80/54/297288054.db2.gz FYXSHYBMYCBGNO-XHDPSFHLSA-N 1 0 318.377 2.764 20 5 DFBDRO C[C@@H](CC1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446841576 297288087 /nfs/dbraw/zinc/28/80/87/297288087.db2.gz RGCRKEPFDVJCNG-NSHDSACASA-N 1 0 318.377 2.766 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000447046361 297293151 /nfs/dbraw/zinc/29/31/51/297293151.db2.gz ZGOXXONZSYLDOW-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCOC2CCCC2)n1 ZINC000447550472 297307994 /nfs/dbraw/zinc/30/79/94/297307994.db2.gz NHCHEUDDSDJIIA-CABCVRRESA-N 1 0 322.409 2.824 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]Cc2cscn2)n1 ZINC000447559588 297308248 /nfs/dbraw/zinc/30/82/48/297308248.db2.gz AASRSEWFTYDUGU-VXGBXAGGSA-N 1 0 307.379 2.521 20 5 DFBDRO CCCN(CC)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562596 297308473 /nfs/dbraw/zinc/30/84/73/297308473.db2.gz MKTBOGDSFMTWFI-LSDHHAIUSA-N 1 0 323.441 2.597 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2ccc(F)cn2)n1 ZINC000447589828 297309641 /nfs/dbraw/zinc/30/96/41/297309641.db2.gz ZCKOGHOBPJSMPN-UONOGXRCSA-N 1 0 319.340 2.599 20 5 DFBDRO COc1nccc(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)n1 ZINC000449010503 297390280 /nfs/dbraw/zinc/39/02/80/297390280.db2.gz LVAJOTDFAZRECA-UHFFFAOYSA-N 1 0 314.345 2.558 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN(C)CC(F)(F)F ZINC000449144086 297413010 /nfs/dbraw/zinc/41/30/10/297413010.db2.gz IOYPNRZTYWKMKZ-LLVKDONJSA-N 1 0 319.327 2.610 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449581319 297494345 /nfs/dbraw/zinc/49/43/45/297494345.db2.gz YXBBEOCWIKMBBD-OCCSQVGLSA-N 1 0 310.325 2.555 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000450852957 297700852 /nfs/dbraw/zinc/70/08/52/297700852.db2.gz AUYSIXADHLCJCS-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451489220 297815084 /nfs/dbraw/zinc/81/50/84/297815084.db2.gz NNNWEPGSBQECCD-CZUORRHYSA-N 1 0 318.377 2.764 20 5 DFBDRO CC1(C)COC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451808403 297878373 /nfs/dbraw/zinc/87/83/73/297878373.db2.gz FDGDIAMWZIQAKL-CQSZACIVSA-N 1 0 317.345 2.764 20 5 DFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000452342673 297961813 /nfs/dbraw/zinc/96/18/13/297961813.db2.gz QMDSSTCPWTXRJV-HNNXBMFYSA-N 1 0 319.405 2.835 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc21 ZINC000453402606 298090601 /nfs/dbraw/zinc/09/06/01/298090601.db2.gz CKMOIBQPNUCBHV-YOEHRIQHSA-N 1 0 317.389 2.576 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000453429519 298094808 /nfs/dbraw/zinc/09/48/08/298094808.db2.gz IIMSTROHFDRLIF-YDHLFZDLSA-N 1 0 317.389 2.707 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCOC(C)(C)C2)c([N+](=O)[O-])cc1O ZINC000453577224 298102697 /nfs/dbraw/zinc/10/26/97/298102697.db2.gz GYUYNIXBIUQYRM-NSHDSACASA-N 1 0 324.377 2.604 20 5 DFBDRO CCNC(=O)OC[C@@H]1CCCCN1Cc1cccc([N+](=O)[O-])c1 ZINC000496539872 300077250 /nfs/dbraw/zinc/07/72/50/300077250.db2.gz NGTHQXDKKWZQJC-HNNXBMFYSA-N 1 0 321.377 2.695 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccco1 ZINC000500061813 300204885 /nfs/dbraw/zinc/20/48/85/300204885.db2.gz RJCSHZVVSNPPCM-GFCCVEGCSA-N 1 0 317.345 2.737 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000507268479 300235346 /nfs/dbraw/zinc/23/53/46/300235346.db2.gz RHBSINUNXJCIBB-XHVZSJERSA-N 1 0 323.418 2.571 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000515106521 300290265 /nfs/dbraw/zinc/29/02/65/300290265.db2.gz QMODEOFZJLMNMO-CQSZACIVSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643226 300316232 /nfs/dbraw/zinc/31/62/32/300316232.db2.gz GZNHUDCOPPAAES-LSDHHAIUSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000527137638 300639680 /nfs/dbraw/zinc/63/96/80/300639680.db2.gz INHRVCYDUAQGNJ-CYBMUJFWSA-N 1 0 319.405 2.932 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2ncccc2F)n1 ZINC000530418345 301047368 /nfs/dbraw/zinc/04/73/68/301047368.db2.gz RDCAUTRNCGBZDB-JSGCOSHPSA-N 1 0 319.340 2.599 20 5 DFBDRO COC(=O)CCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000531478723 301093529 /nfs/dbraw/zinc/09/35/29/301093529.db2.gz ACMIRPGPFYRXCO-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000531911429 301118517 /nfs/dbraw/zinc/11/85/17/301118517.db2.gz QLUGETKFOJBEJJ-HZPDHXFCSA-N 1 0 305.378 2.650 20 5 DFBDRO C[C@H]1CCN(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983649 301123349 /nfs/dbraw/zinc/12/33/49/301123349.db2.gz KDQUUMRHZMRHOM-WMLDXEAASA-N 1 0 317.433 2.847 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532464646 301154115 /nfs/dbraw/zinc/15/41/15/301154115.db2.gz RJFVLJIJXISHCE-ZYHUDNBSSA-N 1 0 317.311 2.882 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000532585029 301161373 /nfs/dbraw/zinc/16/13/73/301161373.db2.gz RIVWMNHVUPILAL-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C2CCC1CC2 ZINC000533237182 301192791 /nfs/dbraw/zinc/19/27/91/301192791.db2.gz BVRRJJOLZPHTPW-UHFFFAOYSA-N 1 0 303.362 2.859 20 5 DFBDRO Cc1ccsc1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000534336807 301229320 /nfs/dbraw/zinc/22/93/20/301229320.db2.gz CIXQVPRIGXATDS-UHFFFAOYSA-N 1 0 318.402 2.682 20 5 DFBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000534342370 301230284 /nfs/dbraw/zinc/23/02/84/301230284.db2.gz MDURQBIJMGQYKJ-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000534751629 301236822 /nfs/dbraw/zinc/23/68/22/301236822.db2.gz KOEXLJJTHUYAGL-DOTOQJQBSA-N 1 0 320.389 2.849 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535316064 301253152 /nfs/dbraw/zinc/25/31/52/301253152.db2.gz SXLJJZRLJNCXLN-TZMCWYRMSA-N 1 0 300.362 2.879 20 5 DFBDRO COc1cc(C[NH2+]CCCF)c([N+](=O)[O-])cc1OCC(F)F ZINC000538713906 301329358 /nfs/dbraw/zinc/32/93/58/301329358.db2.gz FYGQMQVLMMRMHN-UHFFFAOYSA-N 1 0 322.283 2.697 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000548635153 301601830 /nfs/dbraw/zinc/60/18/30/301601830.db2.gz RZTJXBJKFTVXEW-STQMWFEESA-N 1 0 300.362 2.765 20 5 DFBDRO CC1(C)OCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000550819894 301652123 /nfs/dbraw/zinc/65/21/23/301652123.db2.gz SXKUPCBOPYVCED-OAHLLOKOSA-N 1 0 303.362 2.776 20 5 DFBDRO C[NH+](C)Cc1ccccc1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000562325091 301961440 /nfs/dbraw/zinc/96/14/40/301961440.db2.gz FWVRYIVHNSIEFA-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562397872 301969070 /nfs/dbraw/zinc/96/90/70/301969070.db2.gz XCDQZBDCKPYUCG-ZIAGYGMSSA-N 1 0 319.405 2.689 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000563193894 302047370 /nfs/dbraw/zinc/04/73/70/302047370.db2.gz LMHFVJMZUVLEMI-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1ccccc1C[C@H](C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000564039819 302114929 /nfs/dbraw/zinc/11/49/29/302114929.db2.gz MMWSTWZPTJDBGB-ZDUSSCGKSA-N 1 0 302.378 2.700 20 5 DFBDRO CCCC[C@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510919 302228298 /nfs/dbraw/zinc/22/82/98/302228298.db2.gz WOVSPJCWNDHXAK-ZFWWWQNUSA-N 1 0 310.394 2.845 20 5 DFBDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510916 302228386 /nfs/dbraw/zinc/22/83/86/302228386.db2.gz WOVSPJCWNDHXAK-UKRRQHHQSA-N 1 0 310.394 2.845 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000566781223 302311058 /nfs/dbraw/zinc/31/10/58/302311058.db2.gz KEHACXFJADSPNA-KGLIPLIRSA-N 1 0 319.405 2.641 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000566908604 302321526 /nfs/dbraw/zinc/32/15/26/302321526.db2.gz YSQSKLUICVZTGZ-CQSZACIVSA-N 1 0 319.405 2.672 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000567329001 302350080 /nfs/dbraw/zinc/35/00/80/302350080.db2.gz VTKCGUSKYMZJFB-UHFFFAOYSA-N 1 0 322.409 2.514 20 5 DFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567523453 302366348 /nfs/dbraw/zinc/36/63/48/302366348.db2.gz JJUVTAFYQATTOZ-BBRMVZONSA-N 1 0 308.378 2.768 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569378481 302515771 /nfs/dbraw/zinc/51/57/71/302515771.db2.gz SKJLGRZADABZAG-SUNKGSAMSA-N 1 0 306.362 2.759 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000570552769 302579288 /nfs/dbraw/zinc/57/92/88/302579288.db2.gz XWBISNUVMGFESA-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000572092569 302642517 /nfs/dbraw/zinc/64/25/17/302642517.db2.gz KDUVLTSHZJKEPV-ZENOOKHLSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000572736060 302679781 /nfs/dbraw/zinc/67/97/81/302679781.db2.gz IZNHBXOZWLSGJU-ZDUSSCGKSA-N 1 0 322.409 2.698 20 5 DFBDRO CCCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000572834821 302681494 /nfs/dbraw/zinc/68/14/94/302681494.db2.gz CUQXWFIOXCVIFA-HNNXBMFYSA-N 1 0 322.405 2.895 20 5 DFBDRO Cc1cccc(NCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574219403 302747569 /nfs/dbraw/zinc/74/75/69/302747569.db2.gz MNIHHVXEEGDJLL-OAHLLOKOSA-N 1 0 312.373 2.987 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCO1 ZINC000182296801 316095524 /nfs/dbraw/zinc/09/55/24/316095524.db2.gz HFZRFZKEMZRXSQ-WCQYABFASA-N 1 0 305.334 2.783 20 5 DFBDRO C[C@@H](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182451415 316102804 /nfs/dbraw/zinc/10/28/04/316102804.db2.gz LFNCUNPJBQPZHW-ZDUSSCGKSA-N 1 0 320.393 2.981 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000182939636 316124483 /nfs/dbraw/zinc/12/44/83/316124483.db2.gz VRXFBVWAHHKCED-NSHDSACASA-N 1 0 305.378 2.752 20 5 DFBDRO C[C@@H](CCNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183091558 316130216 /nfs/dbraw/zinc/13/02/16/316130216.db2.gz KWOPQMWGUFTQEQ-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccccc3)CCCC2)n1 ZINC000183535925 316146337 /nfs/dbraw/zinc/14/63/37/316146337.db2.gz IXBOVSFDYDALJX-UHFFFAOYSA-N 1 0 300.362 2.850 20 5 DFBDRO O=[N+]([O-])c1ccc(CCOc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000324021517 316260463 /nfs/dbraw/zinc/26/04/63/316260463.db2.gz NODRPPYRFOBWHQ-UHFFFAOYSA-N 1 0 314.341 2.698 20 5 DFBDRO Cc1c(COc2ccc3c(c2)OCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000324045665 316260530 /nfs/dbraw/zinc/26/05/30/316260530.db2.gz SSVGHYLXLOFMKV-UHFFFAOYSA-N 1 0 314.341 2.964 20 5 DFBDRO O=C1OCCC12CC[NH+](C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000359882280 316566599 /nfs/dbraw/zinc/56/65/99/316566599.db2.gz VTZNAWRKKHUGJT-HWKANZROSA-N 1 0 316.357 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414536918 316621421 /nfs/dbraw/zinc/62/14/21/316621421.db2.gz OESOXMORBLXTTF-OLZOCXBDSA-N 1 0 300.305 2.542 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000414565682 316632179 /nfs/dbraw/zinc/63/21/79/316632179.db2.gz FHDHTRYDBOIENY-OCCSQVGLSA-N 1 0 308.378 2.634 20 5 DFBDRO CC(C)(C)[NH2+]CCN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414713752 316637785 /nfs/dbraw/zinc/63/77/85/316637785.db2.gz VGKUIRVLHVCHRS-UHFFFAOYSA-N 1 0 321.421 2.826 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC3CC[NH2+]CC3)o2)c1 ZINC000414796487 316661158 /nfs/dbraw/zinc/66/11/58/316661158.db2.gz XVLFTEMPRAXWPP-UHFFFAOYSA-N 1 0 301.346 2.696 20 5 DFBDRO COc1ccc(CN(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000418147097 316692128 /nfs/dbraw/zinc/69/21/28/316692128.db2.gz QHEZOMTWMVCJRX-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccsc1 ZINC000449247550 317031661 /nfs/dbraw/zinc/03/16/61/317031661.db2.gz GJWJWKAPKSSMGW-SMDDNHRTSA-N 1 0 306.387 2.911 20 5 DFBDRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449555882 317043340 /nfs/dbraw/zinc/04/33/40/317043340.db2.gz KANBCYJHFQUYSM-OFQRWUPVSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])N(C)C ZINC000449555883 317043546 /nfs/dbraw/zinc/04/35/46/317043546.db2.gz KANBCYJHFQUYSM-SQWLQELKSA-N 1 0 305.422 2.846 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449673030 317051953 /nfs/dbraw/zinc/05/19/53/317051953.db2.gz NSZKKWHCEWZOQT-WCQYABFASA-N 1 0 318.295 2.648 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450220203 317070875 /nfs/dbraw/zinc/07/08/75/317070875.db2.gz XWNMISQBPIZONA-CYBMUJFWSA-N 1 0 321.377 2.586 20 5 DFBDRO Cc1nc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ncc1[N+](=O)[O-] ZINC000450260731 317077022 /nfs/dbraw/zinc/07/70/22/317077022.db2.gz DWDDDGIFSWKYQF-OBJOEFQTSA-N 1 0 319.409 2.535 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000453078473 317160111 /nfs/dbraw/zinc/16/01/11/317160111.db2.gz IGURCMMJXIMVTD-CABCVRRESA-N 1 0 306.362 2.651 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453265489 317172815 /nfs/dbraw/zinc/17/28/15/317172815.db2.gz JUMNVGOZDUKYMG-XGUBFFRZSA-N 1 0 324.425 2.926 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488043620 317363502 /nfs/dbraw/zinc/36/35/02/317363502.db2.gz QWDGZPDEQKKLIH-MRXNPFEDSA-N 1 0 321.421 2.766 20 5 DFBDRO O=C(/C=C\c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000490549863 317523001 /nfs/dbraw/zinc/52/30/01/317523001.db2.gz AMKGOOAGWIVEFD-KTKRTIGZSA-N 1 0 317.389 2.600 20 5 DFBDRO Cc1cc(NC[C@@H]2CCOC[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000572746793 318002432 /nfs/dbraw/zinc/00/24/32/318002432.db2.gz MLOOWZTTZWUHQS-YPMHNXCESA-N 1 0 315.373 2.958 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000573535547 318020120 /nfs/dbraw/zinc/02/01/20/318020120.db2.gz NYBAECJEMZIMQP-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000576443676 318126406 /nfs/dbraw/zinc/12/64/06/318126406.db2.gz YKVLPNXQMMGAMN-HZSPNIEDSA-N 1 0 319.405 2.639 20 5 DFBDRO CC1=CCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576767431 318149097 /nfs/dbraw/zinc/14/90/97/318149097.db2.gz KZQGCEOGSJOKKU-INIZCTEOSA-N 1 0 301.390 2.824 20 5 DFBDRO CN(CCC[NH3+])c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000576850176 318155306 /nfs/dbraw/zinc/15/53/06/318155306.db2.gz LBGLLLVDHHKPNR-UHFFFAOYSA-N 1 0 304.325 2.581 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1csc([N+](=O)[O-])c1 ZINC000577280535 318182873 /nfs/dbraw/zinc/18/28/73/318182873.db2.gz WLWHQKGCWKHVQH-CQSZACIVSA-N 1 0 303.387 2.714 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000577929815 318226411 /nfs/dbraw/zinc/22/64/11/318226411.db2.gz UUZWAYPGRXYCEY-CYBMUJFWSA-N 1 0 319.405 2.687 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000578122201 318239066 /nfs/dbraw/zinc/23/90/66/318239066.db2.gz BRMRYWHGZBHRPD-ZDUSSCGKSA-N 1 0 322.409 2.652 20 5 DFBDRO CN(C)[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCSC1 ZINC000578378558 318257059 /nfs/dbraw/zinc/25/70/59/318257059.db2.gz IHJPXQZRAFTSOV-ZBFHGGJFSA-N 1 0 321.446 2.609 20 5 DFBDRO COc1ncccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578786503 318285841 /nfs/dbraw/zinc/28/58/41/318285841.db2.gz LZKBRLIYJZJKNL-HNNXBMFYSA-N 1 0 313.357 2.818 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844004 318288522 /nfs/dbraw/zinc/28/85/22/318288522.db2.gz GJPBUHLEQZICMV-DGCLKSJQSA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000578844003 318288763 /nfs/dbraw/zinc/28/87/63/318288763.db2.gz GJPBUHLEQZICMV-AAEUAGOBSA-N 1 0 315.377 2.534 20 5 DFBDRO COc1cc(CN2CCc3ncc([N+](=O)[O-])cc3C2)ccc1C ZINC000579609391 318342982 /nfs/dbraw/zinc/34/29/82/318342982.db2.gz WEUMRUHKDXRKHF-UHFFFAOYSA-N 1 0 313.357 2.865 20 5 DFBDRO CC(C)(C)C1CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000579703474 318348669 /nfs/dbraw/zinc/34/86/69/318348669.db2.gz FAGGUSLTOGXQMQ-RUXDESIVSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1cc(N2CC[C@@H](C[NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000580169406 318380875 /nfs/dbraw/zinc/38/08/75/318380875.db2.gz WDDPPKKROYGSQZ-ZDUSSCGKSA-N 1 0 314.389 2.839 20 5 DFBDRO C[NH2+]CCSCc1ccc(Br)cc1[N+](=O)[O-] ZINC000382648285 323301147 /nfs/dbraw/zinc/30/11/47/323301147.db2.gz OVYWHEUJBNJEJS-UHFFFAOYSA-N 1 0 305.197 2.810 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386378292 323318032 /nfs/dbraw/zinc/31/80/32/323318032.db2.gz RDVSXXXIXOYGNW-HNNXBMFYSA-N 1 0 308.378 2.634 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000389713850 323336132 /nfs/dbraw/zinc/33/61/32/323336132.db2.gz ZPWJSIHKKFKVRK-UFBFGSQYSA-N 1 0 314.183 2.767 20 5 DFBDRO Cc1c(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cccc1[N+](=O)[O-] ZINC000581773543 323573010 /nfs/dbraw/zinc/57/30/10/323573010.db2.gz SWUNLPAOXSFKCH-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO CC(C)(CC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000582900547 323757477 /nfs/dbraw/zinc/75/74/77/323757477.db2.gz PTSOAVADMYARPY-OAHLLOKOSA-N 1 0 322.405 2.750 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433145396 500665001 /nfs/dbraw/zinc/66/50/01/500665001.db2.gz GXIOCMAIOKNFKK-HNNXBMFYSA-N 1 0 319.405 2.823 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296685033 533824868 /nfs/dbraw/zinc/82/48/68/533824868.db2.gz IVFFBNQLESUJIK-DVOMOZLQSA-N 1 0 319.405 2.940 20 5 DFBDRO Cc1c(C[NH+]2CCC3(CC2)OCCCO3)cccc1[N+](=O)[O-] ZINC000292953483 533842798 /nfs/dbraw/zinc/84/27/98/533842798.db2.gz IXILSPDCPCORGX-UHFFFAOYSA-N 1 0 306.362 2.632 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])[nH]1 ZINC000292691973 534138815 /nfs/dbraw/zinc/13/88/15/534138815.db2.gz BPBMQGWMNLNBCI-UHFFFAOYSA-N 1 0 317.345 2.734 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC2(C)CC[NH+](C)CC2)c1 ZINC000324543278 534244635 /nfs/dbraw/zinc/24/46/35/534244635.db2.gz WSHIETFHTXQMCT-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[N@H+](C)C(C)C)c1 ZINC000318624677 534245327 /nfs/dbraw/zinc/24/53/27/534245327.db2.gz LTIFKXUGYQPQFN-UHFFFAOYSA-N 1 0 309.366 2.524 20 5 DFBDRO CC(C)C[C@H](C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000451078592 517430074 /nfs/dbraw/zinc/43/00/74/517430074.db2.gz MXUWQLKDJWWWAM-AWEZNQCLSA-N 1 0 319.405 2.787 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])s2)CC[N@@H+](C2CCC2)C1 ZINC000292415683 534423528 /nfs/dbraw/zinc/42/35/28/534423528.db2.gz POKGQTMXGZAVOW-NSHDSACASA-N 1 0 323.418 2.603 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000156712022 519817528 /nfs/dbraw/zinc/81/75/28/519817528.db2.gz RPIFTLRXISBGTI-LLVKDONJSA-N 1 0 313.785 2.694 20 5 DFBDRO CCOc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)ccc1[N+](=O)[O-] ZINC000365057263 520702905 /nfs/dbraw/zinc/70/29/05/520702905.db2.gz VAHUPBJCKZERRW-VMZNBEPHSA-N 1 0 320.389 2.586 20 5 DFBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156551162 521640643 /nfs/dbraw/zinc/64/06/43/521640643.db2.gz QDCBSQKLQKVJET-SJORKVTESA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000364887545 525562547 /nfs/dbraw/zinc/56/25/47/525562547.db2.gz ZZDYQNFJNJFFGT-QGZVFWFLSA-N 1 0 303.406 2.963 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000158178311 525724233 /nfs/dbraw/zinc/72/42/33/525724233.db2.gz POBNPVQAOBULLV-CABCVRRESA-N 1 0 322.405 2.997 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3C[C@@H](O)C3)s2)cc1 ZINC000294941279 534880914 /nfs/dbraw/zinc/88/09/14/534880914.db2.gz VIXUBAAQUVKLFV-BJHJDKERSA-N 1 0 304.371 2.936 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)C1CCCCC1)CC2 ZINC000332585206 534883618 /nfs/dbraw/zinc/88/36/18/534883618.db2.gz HIAJZFZQVVBHMN-QGZVFWFLSA-N 1 0 304.390 2.894 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000364313466 525924654 /nfs/dbraw/zinc/92/46/54/525924654.db2.gz YJGPAQWFGUQXNV-GRDNDAEWSA-N 1 0 320.389 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(SCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(F)c1 ZINC000366012821 527376532 /nfs/dbraw/zinc/37/65/32/527376532.db2.gz VMZBYTIIJNQXLR-TXEJJXNPSA-N 1 0 312.366 2.689 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330938388 527749987 /nfs/dbraw/zinc/74/99/87/527749987.db2.gz BRDWTOXQMAUUBZ-SWLSCSKDSA-N 1 0 320.393 2.931 20 5 DFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000296090560 528066091 /nfs/dbraw/zinc/06/60/91/528066091.db2.gz HMBOYKAJMGFICZ-OWCLPIDISA-N 1 0 322.405 2.810 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000295637376 528265519 /nfs/dbraw/zinc/26/55/19/528265519.db2.gz CFZDSHDZSDKTRS-CQSZACIVSA-N 1 0 322.405 2.976 20 5 DFBDRO CCOc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301983387 528309741 /nfs/dbraw/zinc/30/97/41/528309741.db2.gz RMUKOGNCSDJZCB-UKRRQHHQSA-N 1 0 319.405 2.914 20 5 DFBDRO CCOc1cc(N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000322716464 528309994 /nfs/dbraw/zinc/30/99/94/528309994.db2.gz PUQKXWQBFALKNI-UHFFFAOYSA-N 1 0 319.405 2.962 20 5 DFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331745853 529253995 /nfs/dbraw/zinc/25/39/95/529253995.db2.gz YPYDHVCGYUZPHY-JSGCOSHPSA-N 1 0 317.389 2.747 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000261684812 535461416 /nfs/dbraw/zinc/46/14/16/535461416.db2.gz ILYZBIQKSXMWIL-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO C[NH+](C)Cc1ccc(-c2noc(-c3cc([N+](=O)[O-])c[nH]3)n2)cc1 ZINC000355598068 535993003 /nfs/dbraw/zinc/99/30/03/535993003.db2.gz OKUCIPCCRRPLBM-UHFFFAOYSA-N 1 0 313.317 2.702 20 5 DFBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355597331 536071321 /nfs/dbraw/zinc/07/13/21/536071321.db2.gz DWMDDPYLTUIKQJ-ZDUSSCGKSA-N 1 0 322.361 2.521 20 5 DFBDRO CCc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245408087 536164967 /nfs/dbraw/zinc/16/49/67/536164967.db2.gz FOGLGIRAMLIDPZ-IUODEOHRSA-N 1 0 319.405 2.569 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000246848423 536379328 /nfs/dbraw/zinc/37/93/28/536379328.db2.gz CMZAOAWIHNSBIY-IUODEOHRSA-N 1 0 318.377 2.543 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000824627484 608480993 /nfs/dbraw/zinc/48/09/93/608480993.db2.gz XVFPMZCSGKUUHG-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000278427403 214144539 /nfs/dbraw/zinc/14/45/39/214144539.db2.gz PEVGWFMNJNVZJE-UHFFFAOYSA-N 1 0 318.299 2.539 20 5 DFBDRO Cc1cccc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000278581395 214253782 /nfs/dbraw/zinc/25/37/82/214253782.db2.gz SUQFYSJBTJVCTF-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000322146266 231208643 /nfs/dbraw/zinc/20/86/43/231208643.db2.gz XVNLNOVAYKWJBO-UKRRQHHQSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189175 398352182 /nfs/dbraw/zinc/35/21/82/398352182.db2.gz GMOLRLRIZKEHLW-RYUDHWBXSA-N 1 0 320.393 2.760 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596229721 398363308 /nfs/dbraw/zinc/36/33/08/398363308.db2.gz DWKAMJKHZMJDGX-ZYHUDNBSSA-N 1 0 320.349 2.830 20 5 DFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000596243900 398366247 /nfs/dbraw/zinc/36/62/47/398366247.db2.gz MFPBEVMHLBEVJI-FZMZJTMJSA-N 1 0 300.362 2.672 20 5 DFBDRO COc1ccc(C[NH2+][C@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000237183210 398367580 /nfs/dbraw/zinc/36/75/80/398367580.db2.gz UPYCANJRMVFXSX-QGZVFWFLSA-N 1 0 316.357 2.601 20 5 DFBDRO CC[N@H+](C)CCNc1cc(Br)ccc1[N+](=O)[O-] ZINC000087834497 185232798 /nfs/dbraw/zinc/23/27/98/185232798.db2.gz GZODKLJLJFVDDL-UHFFFAOYSA-N 1 0 302.172 2.721 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@H]1CCC[NH2+]C1 ZINC000087834904 185232874 /nfs/dbraw/zinc/23/28/74/185232874.db2.gz XXJOVOSULHOWME-VIFPVBQESA-N 1 0 300.156 2.521 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596245441 398366055 /nfs/dbraw/zinc/36/60/55/398366055.db2.gz ZEZQEFMJAPAKRN-AWEZNQCLSA-N 1 0 310.785 2.565 20 5 DFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237487464 398370990 /nfs/dbraw/zinc/37/09/90/398370990.db2.gz DSRDFRMSVHFOMO-YPMHNXCESA-N 1 0 319.405 2.844 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000596262956 398371279 /nfs/dbraw/zinc/37/12/79/398371279.db2.gz KMRKFLMYFNPCHK-RNCFNFMXSA-N 1 0 315.295 2.754 20 5 DFBDRO C[NH+](C)CCN(Cc1cccs1)c1ncc([N+](=O)[O-])cc1F ZINC000413192524 295684986 /nfs/dbraw/zinc/68/49/86/295684986.db2.gz NEYPKXRVUHGUNE-UHFFFAOYSA-N 1 0 324.381 2.759 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000592059257 398378599 /nfs/dbraw/zinc/37/85/99/398378599.db2.gz YUOZSAWLTNNCPI-HNNXBMFYSA-N 1 0 319.405 2.534 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596307712 398381649 /nfs/dbraw/zinc/38/16/49/398381649.db2.gz DBSXUTDUYUEWJR-LLVKDONJSA-N 1 0 304.394 2.848 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000090068582 185280528 /nfs/dbraw/zinc/28/05/28/185280528.db2.gz QQGXNHXJDSFYQC-GJZGRUSLSA-N 1 0 305.378 2.645 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090180707 185285264 /nfs/dbraw/zinc/28/52/64/185285264.db2.gz PWWKXBPKMAMPMB-BBRMVZONSA-N 1 0 317.389 2.789 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066534780 398383590 /nfs/dbraw/zinc/38/35/90/398383590.db2.gz ZEQBGTMIMFSHTE-CYBMUJFWSA-N 1 0 307.369 2.794 20 5 DFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCO1 ZINC000083173826 398384595 /nfs/dbraw/zinc/38/45/95/398384595.db2.gz HTRGRSXHXGLELT-LBPRGKRZSA-N 1 0 305.334 2.737 20 5 DFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000083174576 398384797 /nfs/dbraw/zinc/38/47/97/398384797.db2.gz YZIUQMUUYXXTKV-GFCCVEGCSA-N 1 0 318.377 2.510 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000166441582 197692810 /nfs/dbraw/zinc/69/28/10/197692810.db2.gz STFMTPOOPPBNDW-KCQAQPDRSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000317897957 529701199 /nfs/dbraw/zinc/70/11/99/529701199.db2.gz XBBYIVIVGUJBEB-LBPRGKRZSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(n3cccn3)CC2)cc1[N+](=O)[O-] ZINC000092617807 185329389 /nfs/dbraw/zinc/32/93/89/185329389.db2.gz UQZDPNGHVPNVEV-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092733964 185337036 /nfs/dbraw/zinc/33/70/36/185337036.db2.gz QWKPJZSSRUQSAD-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592153911 398393454 /nfs/dbraw/zinc/39/34/54/398393454.db2.gz MHIZFKRHRWBQFI-ZIAGYGMSSA-N 1 0 306.410 2.940 20 5 DFBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000592153909 398393326 /nfs/dbraw/zinc/39/33/26/398393326.db2.gz MHIZFKRHRWBQFI-KGLIPLIRSA-N 1 0 306.410 2.940 20 5 DFBDRO Cc1cccc(C2=CC[N@H+](CCn3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000092821777 185344118 /nfs/dbraw/zinc/34/41/18/185344118.db2.gz MLOINKJQXMGETP-UHFFFAOYSA-N 1 0 312.373 2.889 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180857 398397267 /nfs/dbraw/zinc/39/72/67/398397267.db2.gz IBYHBIRTUYTLTA-IACUBPJLSA-N 1 0 303.362 2.620 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592183318 398397707 /nfs/dbraw/zinc/39/77/07/398397707.db2.gz YJIIJYXSPQXDFM-UOVKNHIHSA-N 1 0 303.362 2.700 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592184418 398398801 /nfs/dbraw/zinc/39/88/01/398398801.db2.gz POXICLWSKCAGOJ-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000181529161 199311566 /nfs/dbraw/zinc/31/15/66/199311566.db2.gz GDJFAZRHRWAGGL-LBPRGKRZSA-N 1 0 320.374 2.731 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181561061 199318111 /nfs/dbraw/zinc/31/81/11/199318111.db2.gz XRYRMDKAXYVMPX-HUUCEWRRSA-N 1 0 310.394 2.812 20 5 DFBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592211000 398403191 /nfs/dbraw/zinc/40/31/91/398403191.db2.gz HMRQJHKECZGDQL-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248583407 398406950 /nfs/dbraw/zinc/40/69/50/398406950.db2.gz PFBCIUCPPPTEGD-QDEZUTFSSA-N 1 0 322.405 2.749 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254482 398408250 /nfs/dbraw/zinc/40/82/50/398408250.db2.gz FCSJILXRQKFETJ-RYUDHWBXSA-N 1 0 323.418 2.508 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596439196 398412007 /nfs/dbraw/zinc/41/20/07/398412007.db2.gz CQFYYSGLEMWYIH-GFCCVEGCSA-N 1 0 320.393 2.837 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596435558 398411331 /nfs/dbraw/zinc/41/13/31/398411331.db2.gz AOUAQHPNGICIKJ-ZDUSSCGKSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596440593 398412732 /nfs/dbraw/zinc/41/27/32/398412732.db2.gz KIFWDOAGOVMLMC-ZDUSSCGKSA-N 1 0 306.366 2.589 20 5 DFBDRO CC[C@@H](NC(=O)NCC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000596454188 398416257 /nfs/dbraw/zinc/41/62/57/398416257.db2.gz NCOCINQQJBKCPL-IUODEOHRSA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000592366735 398416638 /nfs/dbraw/zinc/41/66/38/398416638.db2.gz HXYMQVZACGDDMG-GZMMTYOYSA-N 1 0 304.268 2.881 20 5 DFBDRO CC[C@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592331415 398413386 /nfs/dbraw/zinc/41/33/86/398413386.db2.gz KDBBOLWQILRKIC-SWLSCSKDSA-N 1 0 319.405 2.918 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000592355991 398414816 /nfs/dbraw/zinc/41/48/16/398414816.db2.gz CDPQPYCFNGKSNC-XQQFMLRXSA-N 1 0 300.318 2.673 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357049 398415603 /nfs/dbraw/zinc/41/56/03/398415603.db2.gz QLILZZVMYDIUSU-LXKVQUBZSA-N 1 0 300.318 2.963 20 5 DFBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000592395467 398420818 /nfs/dbraw/zinc/42/08/18/398420818.db2.gz BRTBAWBBJZXAKK-XGUBFFRZSA-N 1 0 324.425 2.662 20 5 DFBDRO Cc1cc(N2C[C@@H]3COC[C@]3(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596480327 398424970 /nfs/dbraw/zinc/42/49/70/398424970.db2.gz NCELZTDEYKGWME-PXAZEXFGSA-N 1 0 313.357 2.924 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592432440 398425453 /nfs/dbraw/zinc/42/54/53/398425453.db2.gz JBMWXPOSCYBQNO-ZBFHGGJFSA-N 1 0 303.406 2.902 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000067164333 398421503 /nfs/dbraw/zinc/42/15/03/398421503.db2.gz IVYOIHJOGUOFKG-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000278110322 213965980 /nfs/dbraw/zinc/96/59/80/213965980.db2.gz BFZAPSJCVDXHAK-UHFFFAOYSA-N 1 0 323.393 2.642 20 5 DFBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000067507466 398437990 /nfs/dbraw/zinc/43/79/90/398437990.db2.gz OJWXBXRRMAFKDB-CYBMUJFWSA-N 1 0 320.393 2.837 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000592515856 398439426 /nfs/dbraw/zinc/43/94/26/398439426.db2.gz VBPRRIQTXFMYAH-IUODEOHRSA-N 1 0 320.389 2.959 20 5 DFBDRO CCN1CC[NH+](C[C@H](C)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088701555 398440298 /nfs/dbraw/zinc/44/02/98/398440298.db2.gz MXVJONUSYAWXPH-OAHLLOKOSA-N 1 0 320.437 2.589 20 5 DFBDRO O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000592571251 398446869 /nfs/dbraw/zinc/44/68/69/398446869.db2.gz WJOWWKFJTUPOCQ-CYBMUJFWSA-N 1 0 323.780 2.653 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]([C@@H]2CNC(=O)C2)C1 ZINC000585786334 398446951 /nfs/dbraw/zinc/44/69/51/398446951.db2.gz OUSWREKYITUXNO-YUELXQCFSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000272351680 398449264 /nfs/dbraw/zinc/44/92/64/398449264.db2.gz QRYVJCDWMIVZKT-CYBMUJFWSA-N 1 0 317.389 2.566 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000286731276 219135353 /nfs/dbraw/zinc/13/53/53/219135353.db2.gz CZJOPEUIRWLOAM-WBMJQRKESA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)Cc1ccco1 ZINC000026227525 398451147 /nfs/dbraw/zinc/45/11/47/398451147.db2.gz SIWWMNFGCVCCJR-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000067735217 398453263 /nfs/dbraw/zinc/45/32/63/398453263.db2.gz UBCDVHMILJESCF-CYBMUJFWSA-N 1 0 320.393 2.755 20 5 DFBDRO CCCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026465257 398453373 /nfs/dbraw/zinc/45/33/73/398453373.db2.gz SXKUFFCOXSYHLB-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302180065 530055034 /nfs/dbraw/zinc/05/50/34/530055034.db2.gz ZBZCZYLUHNMCAO-JTQLQIEISA-N 1 0 315.320 2.950 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033096 530059716 /nfs/dbraw/zinc/05/97/16/530059716.db2.gz RQZSVIJJRRSJSH-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000586767165 398455311 /nfs/dbraw/zinc/45/53/11/398455311.db2.gz JPUDYQZRZJAVHX-LLVKDONJSA-N 1 0 313.348 2.835 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000027132817 398459850 /nfs/dbraw/zinc/45/98/50/398459850.db2.gz GSZTZNMTGSLHKY-NSHDSACASA-N 1 0 323.393 2.908 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770832 398482803 /nfs/dbraw/zinc/48/28/03/398482803.db2.gz DZTFMRUEBNXCQC-CVEARBPZSA-N 1 0 317.389 2.789 20 5 DFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(OC)cc1 ZINC000181805405 199354231 /nfs/dbraw/zinc/35/42/31/199354231.db2.gz ASPBNAKOHLNECM-CQSZACIVSA-N 1 0 304.350 2.541 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccsc1 ZINC000029620864 398488727 /nfs/dbraw/zinc/48/87/27/398488727.db2.gz PSTVEVUHRUNKHL-LBPRGKRZSA-N 1 0 323.422 2.885 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000029852621 398493339 /nfs/dbraw/zinc/49/33/39/398493339.db2.gz NJZMLRQOFNQUBQ-UHFFFAOYSA-N 1 0 321.425 2.929 20 5 DFBDRO [NH3+]C1CCC(C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000592966015 398512227 /nfs/dbraw/zinc/51/22/27/398512227.db2.gz RWZVKBQUFWKTHB-UHFFFAOYSA-N 1 0 317.389 2.603 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCCN1CCSCC1 ZINC000314199180 398518520 /nfs/dbraw/zinc/51/85/20/398518520.db2.gz UJLXGKDNNNEPHD-UHFFFAOYSA-N 1 0 317.361 2.993 20 5 DFBDRO C[NH+](C)CC(C)(C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286857266 219196546 /nfs/dbraw/zinc/19/65/46/219196546.db2.gz GUDWVMFRKVRLSY-UHFFFAOYSA-N 1 0 309.395 2.599 20 5 DFBDRO C[NH+]1CCC(CNc2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000068722475 398522712 /nfs/dbraw/zinc/52/27/12/398522712.db2.gz LHBVCMWPXFVIRH-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000279660693 215040038 /nfs/dbraw/zinc/04/00/38/215040038.db2.gz CNHNSDCDLIPTDT-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000091457790 398530441 /nfs/dbraw/zinc/53/04/41/398530441.db2.gz FYFRQDMBBLPASN-CYBMUJFWSA-N 1 0 307.394 2.885 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000032665090 398534703 /nfs/dbraw/zinc/53/47/03/398534703.db2.gz DZWJOLXZSKENIR-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO C[N@H+](CCNC(=O)Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000068906066 398537169 /nfs/dbraw/zinc/53/71/69/398537169.db2.gz AFEJEQGOJMLSEQ-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CCC3)CC2)c2c(c1)COCO2 ZINC000593078801 398539725 /nfs/dbraw/zinc/53/97/25/398539725.db2.gz BIFIWFXEXXVVRE-UHFFFAOYSA-N 1 0 304.346 2.884 20 5 DFBDRO COc1ccc(OCC[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000593082814 398540684 /nfs/dbraw/zinc/54/06/84/398540684.db2.gz XSINZRWEPMNMGG-UHFFFAOYSA-N 1 0 306.362 2.905 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000593084713 398541811 /nfs/dbraw/zinc/54/18/11/398541811.db2.gz QTABPNCMVZFOHH-ZDUSSCGKSA-N 1 0 322.405 2.834 20 5 DFBDRO CC[NH+]1CCC(CNc2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000319870025 398544923 /nfs/dbraw/zinc/54/49/23/398544923.db2.gz BDBAWUXLJANWAX-UHFFFAOYSA-N 1 0 311.357 2.886 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000279748307 215111192 /nfs/dbraw/zinc/11/11/92/215111192.db2.gz YIQGGBZOTGWXHJ-UHFFFAOYSA-N 1 0 306.362 2.869 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000320798717 398549391 /nfs/dbraw/zinc/54/93/91/398549391.db2.gz GVFBQJWOWSLWSN-JGVFFNPUSA-N 1 0 302.172 2.895 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000589502051 398557392 /nfs/dbraw/zinc/55/73/92/398557392.db2.gz GRKYFSSCTXPXHT-RYUDHWBXSA-N 1 0 306.362 2.859 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286998765 219261888 /nfs/dbraw/zinc/26/18/88/219261888.db2.gz QVRJVTSJCAVJRT-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)C[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593182405 398566534 /nfs/dbraw/zinc/56/65/34/398566534.db2.gz MJTJKUUCCIGEHR-UHFFFAOYSA-N 1 0 308.382 2.694 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589608904 398563184 /nfs/dbraw/zinc/56/31/84/398563184.db2.gz LLPOMUSWZDBNGE-LBPRGKRZSA-N 1 0 323.393 2.914 20 5 DFBDRO CCCn1nccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000597121587 398570171 /nfs/dbraw/zinc/57/01/71/398570171.db2.gz QEZPLTJUCAMMFR-UHFFFAOYSA-N 1 0 302.378 2.876 20 5 DFBDRO Cc1cc(N2CCN(c3cc[nH+]cc3)CC2)c(F)cc1[N+](=O)[O-] ZINC000589683752 398570668 /nfs/dbraw/zinc/57/06/68/398570668.db2.gz ISUICWMAZMZXFU-UHFFFAOYSA-N 1 0 316.336 2.764 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000279887525 215208678 /nfs/dbraw/zinc/20/86/78/215208678.db2.gz KONAPTHFPZZISF-DYEKYZERSA-N 1 0 306.362 2.662 20 5 DFBDRO C[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H]1C[NH3+] ZINC000593233745 398576867 /nfs/dbraw/zinc/57/68/67/398576867.db2.gz WKLBGRUIAUOGPC-ZBEGNZNMSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H](Nc1ccnc2cc([N+](=O)[O-])ccc21)[C@H]1CCC[NH2+]C1 ZINC000593233833 398577276 /nfs/dbraw/zinc/57/72/76/398577276.db2.gz XWGWYGXXRFTZHP-RYUDHWBXSA-N 1 0 300.362 2.943 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(COc2cc(C)[nH+]c(C)c2)c1 ZINC000593236582 398578095 /nfs/dbraw/zinc/57/80/95/398578095.db2.gz QBGQSPRSGXWPLH-UHFFFAOYSA-N 1 0 316.313 2.972 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000279939160 215255158 /nfs/dbraw/zinc/25/51/58/215255158.db2.gz XEWYCLWMIISWTR-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000279939151 215255628 /nfs/dbraw/zinc/25/56/28/215255628.db2.gz XEWYCLWMIISWTR-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589939125 398584202 /nfs/dbraw/zinc/58/42/02/398584202.db2.gz RVUJZFYZUKXDOG-JQWIXIFHSA-N 1 0 304.268 2.530 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000092612298 398587228 /nfs/dbraw/zinc/58/72/28/398587228.db2.gz GZRHYRQTOXTAKY-LBPRGKRZSA-N 1 0 323.368 2.807 20 5 DFBDRO CCOc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668176 398591834 /nfs/dbraw/zinc/59/18/34/398591834.db2.gz XCIDACRVDKQXKY-GXTWGEPZSA-N 1 0 307.394 2.770 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC(O)(C1CC1)C1CC1 ZINC000597215195 398592737 /nfs/dbraw/zinc/59/27/37/398592737.db2.gz YLFDEZBSCHZEND-HNNXBMFYSA-N 1 0 302.374 2.723 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CNc3ccccc3C2)c(F)c1 ZINC000593316349 398596672 /nfs/dbraw/zinc/59/66/72/398596672.db2.gz PJSYDRWHEIYNMX-CYBMUJFWSA-N 1 0 301.321 2.860 20 5 DFBDRO CCc1nn(C)c(NC[C@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092826930 398601870 /nfs/dbraw/zinc/60/18/70/398601870.db2.gz CEADCMVELZXYCT-LLVKDONJSA-N 1 0 323.422 2.667 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000597234971 398600113 /nfs/dbraw/zinc/60/01/13/398600113.db2.gz BDDVJHSJHKMGQQ-GOEBONIOSA-N 1 0 306.362 2.806 20 5 DFBDRO CC(C)c1ccc(C[N@H+](C)C2(CO)CCOCC2)cc1[N+](=O)[O-] ZINC000597253030 398608022 /nfs/dbraw/zinc/60/80/22/398608022.db2.gz YVCJOJSZIFQELK-UHFFFAOYSA-N 1 0 322.405 2.692 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152632360 186092143 /nfs/dbraw/zinc/09/21/43/186092143.db2.gz LCWYPFDPAIDMLU-RWMBFGLXSA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155745762 186109045 /nfs/dbraw/zinc/10/90/45/186109045.db2.gz JBPMEEQAQNFSHZ-CYBMUJFWSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000590566859 398631660 /nfs/dbraw/zinc/63/16/60/398631660.db2.gz QOAASFFRQLSRHQ-KGLIPLIRSA-N 1 0 319.405 2.685 20 5 DFBDRO CCOc1ccc([C@H](C)NCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000152559194 186085131 /nfs/dbraw/zinc/08/51/31/186085131.db2.gz QQNFMNKLMUTNSX-ZDUSSCGKSA-N 1 0 309.410 2.986 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]([NH+]2CCCC2)C1 ZINC000593462139 398635795 /nfs/dbraw/zinc/63/57/95/398635795.db2.gz RTVDEOSFGONAEZ-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1csc([N+](=O)[O-])c1 ZINC000044314314 398640762 /nfs/dbraw/zinc/64/07/62/398640762.db2.gz FNMQZXHPZWTCFG-UHFFFAOYSA-N 1 0 311.407 2.652 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593478745 398640857 /nfs/dbraw/zinc/64/08/57/398640857.db2.gz GHEZAPBEFZPFBJ-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc(NC(=O)N(C)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414658677 295812746 /nfs/dbraw/zinc/81/27/46/295812746.db2.gz LVYIDXXWBAAYGQ-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191826704 186260322 /nfs/dbraw/zinc/26/03/22/186260322.db2.gz UKHWJPXRMZFWEM-DZGCQCFKSA-N 1 0 307.394 2.705 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191863215 186266503 /nfs/dbraw/zinc/26/65/03/186266503.db2.gz ICGVWRWEXRKPRT-WFASDCNBSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000264250057 186327312 /nfs/dbraw/zinc/32/73/12/186327312.db2.gz KUKWVUUZWRPDSC-UHFFFAOYSA-N 1 0 323.368 2.791 20 5 DFBDRO Cc1c(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000414691929 295816814 /nfs/dbraw/zinc/81/68/14/295816814.db2.gz CFACXFJTWGAWJR-BXUZGUMPSA-N 1 0 306.366 2.637 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839882 186372143 /nfs/dbraw/zinc/37/21/43/186372143.db2.gz ANNRMZKNXGBBJN-GXFFZTMASA-N 1 0 303.362 2.835 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000590695587 398653731 /nfs/dbraw/zinc/65/37/31/398653731.db2.gz FXXNDTWUKZBHGR-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CCc1nn(C)c(NCC[N@H+]2CCCC[C@@H]2CC)c1[N+](=O)[O-] ZINC000094158780 398655775 /nfs/dbraw/zinc/65/57/75/398655775.db2.gz YTCLUQLKAYZNFL-LBPRGKRZSA-N 1 0 309.414 2.567 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459735793 299176875 /nfs/dbraw/zinc/17/68/75/299176875.db2.gz FAYRXIISSOPLAV-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000277223577 213376463 /nfs/dbraw/zinc/37/64/63/213376463.db2.gz LMRXJBYTZGTDES-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000459743360 299180069 /nfs/dbraw/zinc/18/00/69/299180069.db2.gz DEGVXKOORYPJGY-KBPBESRZSA-N 1 0 316.361 2.518 20 5 DFBDRO CCC[NH2+]CCNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414865472 295828070 /nfs/dbraw/zinc/82/80/70/295828070.db2.gz FOKXISNPXSBXAM-UHFFFAOYSA-N 1 0 303.362 2.944 20 5 DFBDRO O=C(NCC12CCC[NH+]1CCC2)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000597587382 398665040 /nfs/dbraw/zinc/66/50/40/398665040.db2.gz RWXQILUEAXGWNK-UHFFFAOYSA-N 1 0 323.780 2.606 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459762478 299185053 /nfs/dbraw/zinc/18/50/53/299185053.db2.gz KHQOYZUVLGPHDP-LSDHHAIUSA-N 1 0 318.373 2.604 20 5 DFBDRO COC[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000590764704 398669260 /nfs/dbraw/zinc/66/92/60/398669260.db2.gz GVYNXLKJNODTKB-HNNXBMFYSA-N 1 0 308.378 2.865 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCC[C@@H]3O)cs2)c1 ZINC000172633016 198129431 /nfs/dbraw/zinc/12/94/31/198129431.db2.gz GWWCJBKZMMHZFU-KBPBESRZSA-N 1 0 319.386 2.721 20 5 DFBDRO C[C@@H](CO)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000593677243 398669700 /nfs/dbraw/zinc/66/97/00/398669700.db2.gz VQDVPFDFRXQXQB-YVZNUBBCSA-N 1 0 304.390 2.948 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459771158 299188030 /nfs/dbraw/zinc/18/80/30/299188030.db2.gz RMSAOBQCEPTHKF-KGLIPLIRSA-N 1 0 312.316 2.920 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccncn1 ZINC000590778679 398673167 /nfs/dbraw/zinc/67/31/67/398673167.db2.gz UOIWAEUFRKULRT-LLVKDONJSA-N 1 0 311.345 2.759 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459773800 299188962 /nfs/dbraw/zinc/18/89/62/299188962.db2.gz TUUAHFOOVTWGEG-HUUCEWRRSA-N 1 0 306.362 2.651 20 5 DFBDRO C[NH+]1CCC(N[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)CC1 ZINC000593703916 398674696 /nfs/dbraw/zinc/67/46/96/398674696.db2.gz RETHXFIVYGQUNB-ZDUSSCGKSA-N 1 0 317.311 2.882 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593724786 398678252 /nfs/dbraw/zinc/67/82/52/398678252.db2.gz ZQAVASRAIJCMMK-CZUORRHYSA-N 1 0 319.405 2.894 20 5 DFBDRO CN(C(=O)C[NH2+]C1(C2CCC2)CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000459783298 299192038 /nfs/dbraw/zinc/19/20/38/299192038.db2.gz ZAPBADFBVXBTCF-UHFFFAOYSA-N 1 0 317.389 2.870 20 5 DFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072862917 191244903 /nfs/dbraw/zinc/24/49/03/191244903.db2.gz HBYDURNMDFSHNA-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597698675 398682218 /nfs/dbraw/zinc/68/22/18/398682218.db2.gz HHSUIYMNSBLWNM-MFKMUULPSA-N 1 0 317.345 2.506 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173188662 198193400 /nfs/dbraw/zinc/19/34/00/198193400.db2.gz OPNKDVFOFNHWCW-BXUZGUMPSA-N 1 0 306.366 2.541 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCCC1CCOCC1)CC2 ZINC000331963799 234327058 /nfs/dbraw/zinc/32/70/58/234327058.db2.gz LZLBAOJFLUZWFE-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CCc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000174189793 198303382 /nfs/dbraw/zinc/30/33/82/198303382.db2.gz IHSQSDDVBYZIQT-UHFFFAOYSA-N 1 0 319.405 2.571 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593906181 398702317 /nfs/dbraw/zinc/70/23/17/398702317.db2.gz SMOOEEFCZOHWCX-GLQYFDAESA-N 1 0 317.389 2.611 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597854412 398704782 /nfs/dbraw/zinc/70/47/82/398704782.db2.gz HFYORIQEETWLAA-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2sccc2C1 ZINC000046479126 398708372 /nfs/dbraw/zinc/70/83/72/398708372.db2.gz PJKNQCZRQAOKQE-NSHDSACASA-N 1 0 318.402 2.910 20 5 DFBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000182147670 199394039 /nfs/dbraw/zinc/39/40/39/199394039.db2.gz ZPWUVFMSKLLQFF-HNNXBMFYSA-N 1 0 322.405 2.988 20 5 DFBDRO Cc1ccc(C[C@@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174862068 198394482 /nfs/dbraw/zinc/39/44/82/198394482.db2.gz LVMINSNFCBIILO-INIZCTEOSA-N 1 0 314.389 2.807 20 5 DFBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174875391 198395855 /nfs/dbraw/zinc/39/58/55/198395855.db2.gz AJISRDNYWXIZTD-HNNXBMFYSA-N 1 0 302.378 2.744 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2C2(O)CC2)cc1 ZINC000590968921 398709989 /nfs/dbraw/zinc/70/99/89/398709989.db2.gz OZQZQJHMDQRTHO-INIZCTEOSA-N 1 0 320.389 2.743 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C(C)(C)C(=O)N(C)C)cc1[N+](=O)[O-] ZINC000108422365 398711032 /nfs/dbraw/zinc/71/10/32/398711032.db2.gz DWJFJDDGJMLUTH-UHFFFAOYSA-N 1 0 307.394 2.675 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277091781 213287277 /nfs/dbraw/zinc/28/72/77/213287277.db2.gz UIPNBCQFEKKWBY-GFCCVEGCSA-N 1 0 305.378 2.552 20 5 DFBDRO CC(C)(CC[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C1CC1 ZINC000594008674 398719534 /nfs/dbraw/zinc/71/95/34/398719534.db2.gz XZIJGYVPLKZZAW-UHFFFAOYSA-N 1 0 318.421 2.938 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)CCC[NH3+] ZINC000415298414 295875896 /nfs/dbraw/zinc/87/58/96/295875896.db2.gz OXGBLGYVDKPFSW-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597923671 398721940 /nfs/dbraw/zinc/72/19/40/398721940.db2.gz OCWGLQHBEMNAMV-AWEZNQCLSA-N 1 0 319.405 2.760 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000074073913 398722173 /nfs/dbraw/zinc/72/21/73/398722173.db2.gz QDJUEVPMYKKEMU-BQYQJAHWSA-N 1 0 317.389 2.552 20 5 DFBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCCC2)cc1[N+](=O)[O-] ZINC000046868137 398723028 /nfs/dbraw/zinc/72/30/28/398723028.db2.gz MHNYEZKUNIXSTG-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415486187 295886827 /nfs/dbraw/zinc/88/68/27/295886827.db2.gz RFIMBOJNALOERJ-NWDGAFQWSA-N 1 0 306.366 2.603 20 5 DFBDRO CC(C)OC(=O)[C@@H](C)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130062010 283038624 /nfs/dbraw/zinc/03/86/24/283038624.db2.gz CXCDKMWAWUZHFF-CYBMUJFWSA-N 1 0 324.377 2.636 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000415481367 295886327 /nfs/dbraw/zinc/88/63/27/295886327.db2.gz IVXIIOPOYRCGSM-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1CCC([NH3+])CC1 ZINC000415491542 295887670 /nfs/dbraw/zinc/88/76/70/295887670.db2.gz ZXDMQWABTARNLM-UHFFFAOYSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415578925 295891764 /nfs/dbraw/zinc/89/17/64/295891764.db2.gz JHYZFASBCPHQQA-STQMWFEESA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045056 398730075 /nfs/dbraw/zinc/73/00/75/398730075.db2.gz SNYSXJVJAGZBSO-DZGCQCFKSA-N 1 0 308.378 2.911 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000591138777 398730789 /nfs/dbraw/zinc/73/07/89/398730789.db2.gz PLFNUFPUDDMFKE-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cnc(NCCN2Cc3ccccc3C2)c(F)c1 ZINC000591141738 398730826 /nfs/dbraw/zinc/73/08/26/398730826.db2.gz RCORWAIUGKCYNN-UHFFFAOYSA-N 1 0 302.309 2.557 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992385 398734564 /nfs/dbraw/zinc/73/45/64/398734564.db2.gz JRXIHGNVHCEWFV-GFCCVEGCSA-N 1 0 307.394 2.590 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000276974009 213213243 /nfs/dbraw/zinc/21/32/43/213213243.db2.gz YCEVNEILRILWSI-NUEKZKHPSA-N 1 0 302.374 2.950 20 5 DFBDRO CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598038197 398741848 /nfs/dbraw/zinc/74/18/48/398741848.db2.gz AIGXKZIQWHCITP-CJNGLKHVSA-N 1 0 319.405 2.641 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CC[N@H+](CC)C1 ZINC000598039861 398741894 /nfs/dbraw/zinc/74/18/94/398741894.db2.gz AVDMLQCFPBXFFK-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000354670420 535284227 /nfs/dbraw/zinc/28/42/27/535284227.db2.gz BYXISGDZSFUTEO-GOEBONIOSA-N 1 0 322.405 2.845 20 5 DFBDRO [NH3+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000591430125 398759319 /nfs/dbraw/zinc/75/93/19/398759319.db2.gz WRMHRLOBSTYPIC-CYBMUJFWSA-N 1 0 312.373 2.832 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c(OC(F)F)c1 ZINC000591429994 398759106 /nfs/dbraw/zinc/75/91/06/398759106.db2.gz MNMQFFHDKNTREP-SECBINFHSA-N 1 0 301.293 2.750 20 5 DFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000591439943 398760946 /nfs/dbraw/zinc/76/09/46/398760946.db2.gz GGECHJNTRSPJGY-UWVGGRQHSA-N 1 0 321.274 2.750 20 5 DFBDRO Cc1nc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441675 398761560 /nfs/dbraw/zinc/76/15/60/398761560.db2.gz DBOOSMTZFJYMHI-ZIAGYGMSSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1ccnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591442231 398761690 /nfs/dbraw/zinc/76/16/90/398761690.db2.gz LHDMAOYOQWFDRQ-ZIAGYGMSSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(N2CC[NH+](CCC(C)(C)C)CC2)ncc1[N+](=O)[O-] ZINC000074742398 398763307 /nfs/dbraw/zinc/76/33/07/398763307.db2.gz FOGASWYVRMPMBC-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000591446980 398762396 /nfs/dbraw/zinc/76/23/96/398762396.db2.gz GROSMZYKASDHLG-GOEBONIOSA-N 1 0 307.369 2.840 20 5 DFBDRO Cc1cc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000591446267 398762409 /nfs/dbraw/zinc/76/24/09/398762409.db2.gz YELZOGJCOJIAHT-RDJZCZTQSA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1[N+](=O)[O-] ZINC000594199267 398764249 /nfs/dbraw/zinc/76/42/49/398764249.db2.gz ITCYHRGERCJEHL-LSDHHAIUSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202782 398764941 /nfs/dbraw/zinc/76/49/41/398764941.db2.gz RTGGECFYJDPIGS-KGLIPLIRSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000081330858 192251312 /nfs/dbraw/zinc/25/13/12/192251312.db2.gz JFNONTLRCZGWLJ-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](NC1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000591577726 398773001 /nfs/dbraw/zinc/77/30/01/398773001.db2.gz CFLIQRGOMGVJRJ-CKQIIDDLSA-N 1 0 301.390 2.845 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1)OCCO2 ZINC000591639616 398777668 /nfs/dbraw/zinc/77/76/68/398777668.db2.gz JWJWTKOXQWGXEX-JSGCOSHPSA-N 1 0 318.373 2.892 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598265491 398780107 /nfs/dbraw/zinc/78/01/07/398780107.db2.gz TXVQFAWEDKUDBZ-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591677622 398780460 /nfs/dbraw/zinc/78/04/60/398780460.db2.gz QERDPBSBHAQLFR-LLVKDONJSA-N 1 0 323.418 2.579 20 5 DFBDRO CC[C@H](NC(=O)CC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000236989347 202110644 /nfs/dbraw/zinc/11/06/44/202110644.db2.gz GERGNPNRKXSXHC-HNNXBMFYSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000237035861 202131428 /nfs/dbraw/zinc/13/14/28/202131428.db2.gz KADBCWFHQNHINQ-UHFFFAOYSA-N 1 0 323.368 2.504 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000121876375 398790076 /nfs/dbraw/zinc/79/00/76/398790076.db2.gz VSUVLQWNHARNQO-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CC(=O)OC)ccc1[N+](=O)[O-] ZINC000276932722 213183534 /nfs/dbraw/zinc/18/35/34/213183534.db2.gz RAEHKYWHFLVKAO-ZDUSSCGKSA-N 1 0 322.361 2.521 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000276318613 283223851 /nfs/dbraw/zinc/22/38/51/283223851.db2.gz GVZZXWBQLWGZGH-UHFFFAOYSA-N 1 0 313.423 2.769 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276914483 213172182 /nfs/dbraw/zinc/17/21/82/213172182.db2.gz NZFUBGHVZOXZRS-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(CCCO)CC2)ccc1[N+](=O)[O-] ZINC000276860861 213140123 /nfs/dbraw/zinc/14/01/23/213140123.db2.gz GGYJZTMYQPUNDG-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO CCOc1cc(C[N@@H+]2[C@H](C)CCC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000276826553 213117461 /nfs/dbraw/zinc/11/74/61/213117461.db2.gz ALMFVLJRGDJDRT-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1cc(NCC2([NH+](C)C)CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000292337122 223001662 /nfs/dbraw/zinc/00/16/62/223001662.db2.gz BFIUSUBVVBJHAO-UHFFFAOYSA-N 1 0 311.357 2.565 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000151059386 283274935 /nfs/dbraw/zinc/27/49/35/283274935.db2.gz OWSZDTQTKVYRCH-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO CCC[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490942 299263431 /nfs/dbraw/zinc/26/34/31/299263431.db2.gz PSHGSJLODOCOIY-HOCLYGCPSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151448107 283285035 /nfs/dbraw/zinc/28/50/35/283285035.db2.gz VOPNMJZEMKMINQ-CVEARBPZSA-N 1 0 310.394 2.669 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000594500918 398811045 /nfs/dbraw/zinc/81/10/45/398811045.db2.gz CAFCSHMLSTVUEX-MISXGVKJSA-N 1 0 304.346 2.513 20 5 DFBDRO Cn1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)n1 ZINC000179423596 199033036 /nfs/dbraw/zinc/03/30/36/199033036.db2.gz AXZJMEZQBGKCRV-UHFFFAOYSA-N 1 0 316.405 2.958 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000594514713 398813971 /nfs/dbraw/zinc/81/39/71/398813971.db2.gz LAEQVTVLCQCMCM-NJAFHUGGSA-N 1 0 310.353 2.830 20 5 DFBDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075673896 398815924 /nfs/dbraw/zinc/81/59/24/398815924.db2.gz ZYNSFQWZRFEHKX-TZMCWYRMSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000594522483 398816017 /nfs/dbraw/zinc/81/60/17/398816017.db2.gz YQLIJVUAHVAAKT-GJZGRUSLSA-N 1 0 319.405 2.710 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000598466221 398817707 /nfs/dbraw/zinc/81/77/07/398817707.db2.gz OCORFSJKMBSPEN-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO COc1cccc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000594592262 398825771 /nfs/dbraw/zinc/82/57/71/398825771.db2.gz OWCYIYAETDDWPF-UPJWGTAASA-N 1 0 323.393 2.513 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000594592566 398826276 /nfs/dbraw/zinc/82/62/76/398826276.db2.gz RVDHGJAYIHNAIG-TXEJJXNPSA-N 1 0 300.362 2.895 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000594592635 398826427 /nfs/dbraw/zinc/82/64/27/398826427.db2.gz VBKFUAUFGXFHGZ-TXEJJXNPSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(C)(CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000276680685 213043414 /nfs/dbraw/zinc/04/34/14/213043414.db2.gz FNYJXACGWWJIJA-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@H]1C ZINC000076114018 398841397 /nfs/dbraw/zinc/84/13/97/398841397.db2.gz VWKFPDKNSDZREV-GHMZBOCLSA-N 1 0 302.334 2.733 20 5 DFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594710206 398846432 /nfs/dbraw/zinc/84/64/32/398846432.db2.gz JKICKNBJUUHFBZ-MLGOLLRUSA-N 1 0 308.378 2.687 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598647131 398846520 /nfs/dbraw/zinc/84/65/20/398846520.db2.gz BWWXKTTXJCMLQE-DZGCQCFKSA-N 1 0 322.405 2.832 20 5 DFBDRO COc1cc(C[NH2+]CC[C@H]2CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000598645973 398846799 /nfs/dbraw/zinc/84/67/99/398846799.db2.gz BBXIADXUBXUXEO-JTQLQIEISA-N 1 0 316.304 2.747 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCO1 ZINC000152890788 283343873 /nfs/dbraw/zinc/34/38/73/283343873.db2.gz JLHBXSQKDJFHEQ-AWEZNQCLSA-N 1 0 316.304 2.855 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)n1 ZINC000052861390 398853324 /nfs/dbraw/zinc/85/33/24/398853324.db2.gz GQTAJRYJJMHXPC-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO CC[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000598663387 398850452 /nfs/dbraw/zinc/85/04/52/398850452.db2.gz BQPQNAMYWDKOES-XJKSGUPXSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1c(NC(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000076331494 398851709 /nfs/dbraw/zinc/85/17/09/398851709.db2.gz XWHAFGNETJGNON-CYBMUJFWSA-N 1 0 318.377 2.605 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000237333218 202235618 /nfs/dbraw/zinc/23/56/18/202235618.db2.gz AHSSYYOOTSGQJG-UHFFFAOYSA-N 1 0 323.418 2.708 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000153055872 283350970 /nfs/dbraw/zinc/35/09/70/283350970.db2.gz DDZXWONEGPOAPZ-LRDDRELGSA-N 1 0 321.421 2.984 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000598716934 398860389 /nfs/dbraw/zinc/86/03/89/398860389.db2.gz XBMUWLWWMAMAEX-UHFFFAOYSA-N 1 0 323.418 2.529 20 5 DFBDRO CCOC(=O)CCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153075745 283351382 /nfs/dbraw/zinc/35/13/82/283351382.db2.gz ODQSFRIRKQCCIT-UHFFFAOYSA-N 1 0 306.362 2.686 20 5 DFBDRO Cc1nn(C)c(NCCCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000076795591 398870095 /nfs/dbraw/zinc/87/00/95/398870095.db2.gz HEEVPOVUFXKLKW-LBPRGKRZSA-N 1 0 309.414 2.561 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000153106515 283352927 /nfs/dbraw/zinc/35/29/27/283352927.db2.gz WDIOXSYSKHWMAG-LBPRGKRZSA-N 1 0 323.393 2.560 20 5 DFBDRO C[C@H](CO)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000237392770 202253722 /nfs/dbraw/zinc/25/37/22/202253722.db2.gz WBMWJGXBOGCIGT-SECBINFHSA-N 1 0 310.737 2.979 20 5 DFBDRO Cn1ncc(C2CC2)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000594927861 398873821 /nfs/dbraw/zinc/87/38/21/398873821.db2.gz AJADFZNQWLPQBS-UHFFFAOYSA-N 1 0 300.362 2.538 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594933661 398875838 /nfs/dbraw/zinc/87/58/38/398875838.db2.gz ATLNCUHZUYDBMM-HBJVGIJOSA-N 1 0 306.362 2.751 20 5 DFBDRO CO[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594952010 398880414 /nfs/dbraw/zinc/88/04/14/398880414.db2.gz PEJJTMVSYZGBLN-RHSMWYFYSA-N 1 0 322.405 2.859 20 5 DFBDRO CC(C)(C)CCNC(=O)CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153384398 283365619 /nfs/dbraw/zinc/36/56/19/283365619.db2.gz ZUHDCJAQMXCFHM-UHFFFAOYSA-N 1 0 319.405 2.505 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCC[C@H]3C[C@H]31)OCCO2 ZINC000594975507 398884883 /nfs/dbraw/zinc/88/48/83/398884883.db2.gz WDMJDOQSKLFRNR-SGMGOOAPSA-N 1 0 318.373 2.892 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594961519 398882267 /nfs/dbraw/zinc/88/22/67/398882267.db2.gz ODCMNNBDILWYGE-VWLHBSKXSA-N 1 0 310.419 2.683 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594964679 398883188 /nfs/dbraw/zinc/88/31/88/398883188.db2.gz LYKIAMKCRCQGHZ-XKQJLSEDSA-N 1 0 322.405 2.559 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3cc(F)ccc3C2)cc1 ZINC000594978806 398885562 /nfs/dbraw/zinc/88/55/62/398885562.db2.gz WECCFGRMSMQIBE-AWEZNQCLSA-N 1 0 302.305 2.827 20 5 DFBDRO CC(C)(C)OCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000594978126 398885762 /nfs/dbraw/zinc/88/57/62/398885762.db2.gz YHRZDUGSLWJFHK-UHFFFAOYSA-N 1 0 324.377 2.661 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000594981354 398886163 /nfs/dbraw/zinc/88/61/63/398886163.db2.gz YAEBLKVXTJCMTK-WBVHZDCISA-N 1 0 314.389 2.829 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594983127 398886507 /nfs/dbraw/zinc/88/65/07/398886507.db2.gz LBHWDYPKRQLEBP-DJXGBFBFSA-N 1 0 304.390 2.996 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991258 398887913 /nfs/dbraw/zinc/88/79/13/398887913.db2.gz GOIPPEWIJKOHAT-LBPRGKRZSA-N 1 0 300.305 2.984 20 5 DFBDRO Cc1ccc(C[NH2+]CC2(CC(N)=O)CCCCC2)cc1[N+](=O)[O-] ZINC000595000537 398889529 /nfs/dbraw/zinc/88/95/29/398889529.db2.gz KYVCAMOBMFKGJV-UHFFFAOYSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595006036 398890333 /nfs/dbraw/zinc/89/03/33/398890333.db2.gz FFZYEBBRDATMTO-STQMWFEESA-N 1 0 319.405 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000595009211 398891127 /nfs/dbraw/zinc/89/11/27/398891127.db2.gz FQAIAHWVMUBXQP-KGLIPLIRSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000595009893 398890771 /nfs/dbraw/zinc/89/07/71/398890771.db2.gz UFKZURIAJJVEMZ-YWPYICTPSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000595008295 398890790 /nfs/dbraw/zinc/89/07/90/398890790.db2.gz DCYFRMOOXYJXAN-MELADBBJSA-N 1 0 319.405 2.881 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1ccnc1 ZINC000595007675 398890951 /nfs/dbraw/zinc/89/09/51/398890951.db2.gz QKEUPUUWYOQIHF-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO COC[C@H](CC1CCOCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595015700 398891943 /nfs/dbraw/zinc/89/19/43/398891943.db2.gz ZYCRCCMRNRBCHA-INIZCTEOSA-N 1 0 322.405 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1cccc(CO)c1 ZINC000595015213 398891961 /nfs/dbraw/zinc/89/19/61/398891961.db2.gz YYBGFYBMRVYRGF-LBPRGKRZSA-N 1 0 316.357 2.947 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913523 398892200 /nfs/dbraw/zinc/89/22/00/398892200.db2.gz KITZYKAVGKVWCB-LLVKDONJSA-N 1 0 314.773 2.743 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000595015982 398892261 /nfs/dbraw/zinc/89/22/61/398892261.db2.gz FRXKYJPOWWSUBW-STQMWFEESA-N 1 0 307.394 2.596 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913980 398892827 /nfs/dbraw/zinc/89/28/27/398892827.db2.gz TVEVBPYBOOCNMG-VIFPVBQESA-N 1 0 314.773 2.887 20 5 DFBDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914135 398892985 /nfs/dbraw/zinc/89/29/85/398892985.db2.gz ZLKBLQNECVCXKG-NSHDSACASA-N 1 0 312.757 2.510 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598915993 398893010 /nfs/dbraw/zinc/89/30/10/398893010.db2.gz SFBLVKKTHHFEGM-XYPYZODXSA-N 1 0 324.356 2.621 20 5 DFBDRO Cc1c(Br)c(N[C@H](C)C[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320040961 316251703 /nfs/dbraw/zinc/25/17/03/316251703.db2.gz COXQDHGDGLNOPZ-NKWVEPMBSA-N 1 0 317.187 2.598 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000276424855 212870598 /nfs/dbraw/zinc/87/05/98/212870598.db2.gz JNYDYQZNSBMIPS-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595047648 398897156 /nfs/dbraw/zinc/89/71/56/398897156.db2.gz DUZZAORVTCRLFL-GRYCIOLGSA-N 1 0 322.361 2.596 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000595052281 398898453 /nfs/dbraw/zinc/89/84/53/398898453.db2.gz WQTOJUPUHIYCDJ-AVGNSLFASA-N 1 0 308.378 2.927 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595056333 398899217 /nfs/dbraw/zinc/89/92/17/398899217.db2.gz FHBZCWJZXVSIID-FZMZJTMJSA-N 1 0 308.378 2.805 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCOC1 ZINC000595059765 398899491 /nfs/dbraw/zinc/89/94/91/398899491.db2.gz IJKUDWCPNFBKMA-DVOMOZLQSA-N 1 0 308.378 2.605 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000186794642 200012464 /nfs/dbraw/zinc/01/24/64/200012464.db2.gz XOJJHWFEBRQBOT-NJZAAPMLSA-N 1 0 308.378 2.948 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000598985649 398903719 /nfs/dbraw/zinc/90/37/19/398903719.db2.gz XNZBJOLASPAUMX-CYBMUJFWSA-N 1 0 308.378 2.900 20 5 DFBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000598985659 398903965 /nfs/dbraw/zinc/90/39/65/398903965.db2.gz XURTYQOZKICZIZ-KRWDZBQOSA-N 1 0 314.341 2.915 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000598989044 398904538 /nfs/dbraw/zinc/90/45/38/398904538.db2.gz YRIACZKHBHQDLN-CQSZACIVSA-N 1 0 313.348 2.722 20 5 DFBDRO CCCN1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096833 398904748 /nfs/dbraw/zinc/90/47/48/398904748.db2.gz MUWCASYUZAMJNT-GDBMZVCRSA-N 1 0 305.422 2.990 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470174035 299293624 /nfs/dbraw/zinc/29/36/24/299293624.db2.gz HMFCAQYDDAHWHN-FSBNRTBOSA-N 1 0 306.362 2.739 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2c2ccncc2)cs1 ZINC000598997854 398905943 /nfs/dbraw/zinc/90/59/43/398905943.db2.gz KZSPXLYASWNBNT-OCCSQVGLSA-N 1 0 305.359 2.671 20 5 DFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000187523694 200123399 /nfs/dbraw/zinc/12/33/99/200123399.db2.gz GMMOQHGGELIDRJ-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](C2CCC2)CC1 ZINC000599043797 398912202 /nfs/dbraw/zinc/91/22/02/398912202.db2.gz LXDAYOZGAMOPET-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@@H]1CCCN(C(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258989 398913605 /nfs/dbraw/zinc/91/36/05/398913605.db2.gz YXYBDWIHYMFQDV-CZUORRHYSA-N 1 0 319.405 2.503 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063237 398915679 /nfs/dbraw/zinc/91/56/79/398915679.db2.gz XZNHWNOJYWLXIX-IAQYHMDHSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599071856 398917080 /nfs/dbraw/zinc/91/70/80/398917080.db2.gz UULAXZRYFYXYFA-UONOGXRCSA-N 1 0 321.421 2.986 20 5 DFBDRO CO[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599091175 398919273 /nfs/dbraw/zinc/91/92/73/398919273.db2.gz HOEVRMKPAGXMSD-UHOFOFEASA-N 1 0 304.390 2.931 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCN(C)CC(F)F)cccc1[N+](=O)[O-] ZINC000599090039 398919363 /nfs/dbraw/zinc/91/93/63/398919363.db2.gz SLQWIOKAZKNNIZ-LLVKDONJSA-N 1 0 301.337 2.751 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599094870 398920965 /nfs/dbraw/zinc/92/09/65/398920965.db2.gz ZRHXUKQHJZZWFO-HZPDHXFCSA-N 1 0 317.389 2.789 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188497518 200256004 /nfs/dbraw/zinc/25/60/04/200256004.db2.gz YRIHFMATXOVJJA-SWLSCSKDSA-N 1 0 307.394 2.892 20 5 DFBDRO Cc1noc(CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595363618 398927939 /nfs/dbraw/zinc/92/79/39/398927939.db2.gz FEJJHONGJTZHEO-SCRDCRAPSA-N 1 0 322.409 2.728 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376282 398929322 /nfs/dbraw/zinc/92/93/22/398929322.db2.gz HFCYHWZSIJPROY-IUODEOHRSA-N 1 0 309.385 2.896 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376281 398929578 /nfs/dbraw/zinc/92/95/78/398929578.db2.gz HFCYHWZSIJPROY-DOMZBBRYSA-N 1 0 309.385 2.896 20 5 DFBDRO COCC[C@@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417306773 296008535 /nfs/dbraw/zinc/00/85/35/296008535.db2.gz GMMLFTBWUCSXBS-IAGOWNOFSA-N 1 0 322.405 2.739 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C1CC1 ZINC000189328038 200382325 /nfs/dbraw/zinc/38/23/25/200382325.db2.gz XGFNLTURMCSZLG-KCXAZCMYSA-N 1 0 304.390 2.667 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000471806541 299306407 /nfs/dbraw/zinc/30/64/07/299306407.db2.gz ZCOBAMNHROITIO-ZDUSSCGKSA-N 1 0 319.405 2.761 20 5 DFBDRO COc1ccc(OCC[NH+]2C[C@@H]3CCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000152700458 398933204 /nfs/dbraw/zinc/93/32/04/398933204.db2.gz ARXPNQLSPWPMPJ-STQMWFEESA-N 1 0 306.362 2.714 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595414955 398934088 /nfs/dbraw/zinc/93/40/88/398934088.db2.gz OWBJZKFNWDWLEZ-RUAUBTSSSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342984 296011968 /nfs/dbraw/zinc/01/19/68/296011968.db2.gz NPDLBISHEFFQDS-GKABBXAVSA-N 1 0 310.419 2.719 20 5 DFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055749894 398941953 /nfs/dbraw/zinc/94/19/53/398941953.db2.gz GIOYLVUGOOVEAF-MGPQQGTHSA-N 1 0 319.405 2.691 20 5 DFBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000078254420 398944221 /nfs/dbraw/zinc/94/42/21/398944221.db2.gz LHMLUMZLQPSGDP-UHFFFAOYSA-N 1 0 303.284 2.756 20 5 DFBDRO CCCN(CC[NH+]1CCCCCC1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595491874 398949901 /nfs/dbraw/zinc/94/99/01/398949901.db2.gz YJFDHDIFQCPBNY-UHFFFAOYSA-N 1 0 324.425 2.979 20 5 DFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc([N+](=O)[O-])cc1F)C2 ZINC000595508192 398952954 /nfs/dbraw/zinc/95/29/54/398952954.db2.gz VFETWPJUURUWHF-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595516111 398955630 /nfs/dbraw/zinc/95/56/30/398955630.db2.gz DWFOBRUNICMWRL-KGLIPLIRSA-N 1 0 324.352 2.945 20 5 DFBDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000056196737 398957123 /nfs/dbraw/zinc/95/71/23/398957123.db2.gz WVAXNDJRKSEJIT-MNOVXSKESA-N 1 0 318.333 2.569 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000595536893 398959273 /nfs/dbraw/zinc/95/92/73/398959273.db2.gz WOXNKOOPPQQUHL-LLVKDONJSA-N 1 0 313.348 2.789 20 5 DFBDRO CCOc1cc(CN2CCC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000595536215 398959179 /nfs/dbraw/zinc/95/91/79/398959179.db2.gz OYUAJXUBVUMKTC-AWEZNQCLSA-N 1 0 321.421 2.910 20 5 DFBDRO C[NH+](C)C1(CNc2c(Cl)cccc2[N+](=O)[O-])CCOCC1 ZINC000292491889 223119580 /nfs/dbraw/zinc/11/95/80/223119580.db2.gz MSKZODFCFNQIKC-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO C[C@H](O)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000078516290 398962874 /nfs/dbraw/zinc/96/28/74/398962874.db2.gz YXNPDNDEHOORED-AWEZNQCLSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000078526516 398964047 /nfs/dbraw/zinc/96/40/47/398964047.db2.gz ZUFOYYKXMFRVPP-CQSZACIVSA-N 1 0 304.394 2.975 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCO[C@H]1CCOC1)CCC2 ZINC000192952029 200967090 /nfs/dbraw/zinc/96/70/90/200967090.db2.gz VMRIKBIGFFYWPF-RDJZCZTQSA-N 1 0 320.389 2.757 20 5 DFBDRO C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@@H](C)[C@@H]1C ZINC000292865668 223281641 /nfs/dbraw/zinc/28/16/41/223281641.db2.gz AQTQEYVFGFQOBL-KXUCPTDWSA-N 1 0 311.769 2.915 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1C[C@H]1C1CC1 ZINC000600155616 398976748 /nfs/dbraw/zinc/97/67/48/398976748.db2.gz IBHOSMRXBPBEKA-ICCXJUOJSA-N 1 0 300.362 2.995 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000193926583 201146887 /nfs/dbraw/zinc/14/68/87/201146887.db2.gz UTITXWZQKHESJT-CHWSQXEVSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1 ZINC000193926566 201147115 /nfs/dbraw/zinc/14/71/15/201147115.db2.gz UTITXWZQKHESJT-QWHCGFSZSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCCO2 ZINC000292880169 223289837 /nfs/dbraw/zinc/28/98/37/223289837.db2.gz CATYSPCRLUVLFO-ZDUSSCGKSA-N 1 0 306.362 2.885 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194660672 201270018 /nfs/dbraw/zinc/27/00/18/201270018.db2.gz MOPBYLLSHIOQAP-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000194724051 201279709 /nfs/dbraw/zinc/27/97/09/201279709.db2.gz GOXUUHSHJGSBCB-NEPJUHHUSA-N 1 0 314.345 2.668 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000271845533 209262473 /nfs/dbraw/zinc/26/24/73/209262473.db2.gz HOQRLZGNVZYKGA-BZUAXINKSA-N 1 0 318.373 2.521 20 5 DFBDRO CC(=O)c1ccc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])c1 ZINC000275498340 212374647 /nfs/dbraw/zinc/37/46/47/212374647.db2.gz RXVITCXVBVLOFC-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000475361858 299346572 /nfs/dbraw/zinc/34/65/72/299346572.db2.gz LGAJRMBGMIAAJY-BBUPELFUSA-N 1 0 318.373 2.739 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595639290 399014521 /nfs/dbraw/zinc/01/45/21/399014521.db2.gz RPRXVLBIWZZAOK-NSHDSACASA-N 1 0 323.393 2.956 20 5 DFBDRO CC1(C)CCC[C@@](CO)([NH2+]CCOc2ccccc2[N+](=O)[O-])C1 ZINC000599592820 399024487 /nfs/dbraw/zinc/02/44/87/399024487.db2.gz AFWPSAGRESOPRL-QGZVFWFLSA-N 1 0 322.405 2.895 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000595671444 399028003 /nfs/dbraw/zinc/02/80/03/399028003.db2.gz GLUFFCLRIKTOOP-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000599606106 399028137 /nfs/dbraw/zinc/02/81/37/399028137.db2.gz RXOTUJPFZREIKV-HNNXBMFYSA-N 1 0 320.393 2.619 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678651 399030453 /nfs/dbraw/zinc/03/04/53/399030453.db2.gz SEBVXQMXZMAMKS-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633429 399035695 /nfs/dbraw/zinc/03/56/95/399035695.db2.gz LYRSPFJCUZCOES-GFELPYHRSA-N 1 0 322.430 2.950 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000171298901 399045059 /nfs/dbraw/zinc/04/50/59/399045059.db2.gz GQECSPGFYXBJOR-LLVKDONJSA-N 1 0 306.362 2.677 20 5 DFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000599669210 399053306 /nfs/dbraw/zinc/05/33/06/399053306.db2.gz CWIYLKSZNXKXLJ-ZQIUZPCESA-N 1 0 320.389 2.599 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000447846250 297320653 /nfs/dbraw/zinc/32/06/53/297320653.db2.gz XMCDDJQHRCUIIG-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474507 399058027 /nfs/dbraw/zinc/05/80/27/399058027.db2.gz XKMHEJWDOBYVSJ-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1sc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471223 399058277 /nfs/dbraw/zinc/05/82/77/399058277.db2.gz KALAYIZYEZYWKC-GFCCVEGCSA-N 1 0 323.418 2.711 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1[N+](=O)[O-] ZINC000600474506 399058513 /nfs/dbraw/zinc/05/85/13/399058513.db2.gz XKMHEJWDOBYVSJ-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO COC(=O)C1C[C@H](C)[NH+](Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000599688305 399063666 /nfs/dbraw/zinc/06/36/66/399063666.db2.gz CFRCKRXMOQKFIS-RYUDHWBXSA-N 1 0 306.362 2.757 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595760160 399074553 /nfs/dbraw/zinc/07/45/53/399074553.db2.gz SGPFYBJBYZEYQI-RHSMWYFYSA-N 1 0 320.389 2.850 20 5 DFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595766424 399076239 /nfs/dbraw/zinc/07/62/39/399076239.db2.gz VNVKSVHEXFPWLQ-ZDUSSCGKSA-N 1 0 321.377 2.710 20 5 DFBDRO CC[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595766422 399076803 /nfs/dbraw/zinc/07/68/03/399076803.db2.gz VNVKSVHEXFPWLQ-CYBMUJFWSA-N 1 0 321.377 2.710 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000294329804 284016717 /nfs/dbraw/zinc/01/67/17/284016717.db2.gz OXJAHOPXCLSXCR-OWCLPIDISA-N 1 0 308.378 2.566 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785793 399085038 /nfs/dbraw/zinc/08/50/38/399085038.db2.gz GOWMXIIVEZJJJH-QWHCGFSZSA-N 1 0 309.366 2.672 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000330518439 284055041 /nfs/dbraw/zinc/05/50/41/284055041.db2.gz YBSYRVLCANGOHE-CZUORRHYSA-N 1 0 321.421 2.764 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000595812802 399094631 /nfs/dbraw/zinc/09/46/31/399094631.db2.gz YXGSVCDOPOXERA-STQMWFEESA-N 1 0 303.362 2.574 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000058831065 399096565 /nfs/dbraw/zinc/09/65/65/399096565.db2.gz DHGWNOOETUFCIL-UHFFFAOYSA-N 1 0 311.407 2.507 20 5 DFBDRO CC[C@@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000419217474 296128379 /nfs/dbraw/zinc/12/83/79/296128379.db2.gz PPJUYMNLMPOWJA-AWEZNQCLSA-N 1 0 308.378 2.863 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000338333251 284099711 /nfs/dbraw/zinc/09/97/11/284099711.db2.gz OITRNLHGBBVFCU-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000419309902 296133865 /nfs/dbraw/zinc/13/38/65/296133865.db2.gz HGKSLABPVIAPLS-MCIONIFRSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@H](Cc1cccc(Cl)c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000338434166 284113518 /nfs/dbraw/zinc/11/35/18/284113518.db2.gz BPHCCVVGRCSNMY-LLVKDONJSA-N 1 0 308.769 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419368120 296136730 /nfs/dbraw/zinc/13/67/30/296136730.db2.gz FLICKRMSKKTABR-XQQFMLRXSA-N 1 0 305.378 2.818 20 5 DFBDRO COCCCC[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000419384880 296138615 /nfs/dbraw/zinc/13/86/15/296138615.db2.gz KLRDOJHFNSSXMD-UHFFFAOYSA-N 1 0 300.330 2.601 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000419382970 296138514 /nfs/dbraw/zinc/13/85/14/296138514.db2.gz ZOQBWBIHBVVWPT-SRVKXCTJSA-N 1 0 321.377 2.518 20 5 DFBDRO CCCCC[C@H]1CCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869435 399117969 /nfs/dbraw/zinc/11/79/69/399117969.db2.gz AWHLPJZWJIOZLX-HOCLYGCPSA-N 1 0 324.425 2.587 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093437328 193251280 /nfs/dbraw/zinc/25/12/80/193251280.db2.gz ZPODDAIPWGCOSY-JWLFTQPQSA-N 1 0 301.390 2.777 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262712965 203390268 /nfs/dbraw/zinc/39/02/68/203390268.db2.gz CYIPQRUWAZNPBV-FZMZJTMJSA-N 1 0 319.405 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900811 399128180 /nfs/dbraw/zinc/12/81/80/399128180.db2.gz MDHPMRVHPOUNKP-AWEZNQCLSA-N 1 0 319.405 2.512 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000094101680 193345726 /nfs/dbraw/zinc/34/57/26/193345726.db2.gz DONUDDWMLJFTKE-LBPRGKRZSA-N 1 0 319.405 2.733 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094368157 193366451 /nfs/dbraw/zinc/36/64/51/193366451.db2.gz ACNIAWOHZFNKPS-DZGCQCFKSA-N 1 0 308.403 2.739 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CC1(C)C ZINC000595910295 399132032 /nfs/dbraw/zinc/13/20/32/399132032.db2.gz STVMGOUGDQMZEZ-VXGBXAGGSA-N 1 0 305.378 2.900 20 5 DFBDRO CC1(C)C[C@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000595911839 399133067 /nfs/dbraw/zinc/13/30/67/399133067.db2.gz ZKRRJQGHIPLREZ-INIZCTEOSA-N 1 0 300.362 2.706 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746359 399134111 /nfs/dbraw/zinc/13/41/11/399134111.db2.gz RXGJVLUBLMAHKU-RRQGHBQHSA-N 1 0 303.406 2.896 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420119250 296159016 /nfs/dbraw/zinc/15/90/16/296159016.db2.gz NJIKJZSVTXODRF-VIFPVBQESA-N 1 0 303.284 2.850 20 5 DFBDRO C[C@@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000420165452 296160198 /nfs/dbraw/zinc/16/01/98/296160198.db2.gz NCYKGXUYZHAMFQ-VXGBXAGGSA-N 1 0 300.362 2.943 20 5 DFBDRO Cc1cc(N2CC[C@H](C[NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420170243 296160324 /nfs/dbraw/zinc/16/03/24/296160324.db2.gz LYOPHSJYDMOMCA-SECBINFHSA-N 1 0 303.284 2.707 20 5 DFBDRO [NH3+]C[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420169768 296160374 /nfs/dbraw/zinc/16/03/74/296160374.db2.gz LVCXYTBXHIUHFR-SNVBAGLBSA-N 1 0 304.375 2.503 20 5 DFBDRO C[NH2+][C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000420159174 296159844 /nfs/dbraw/zinc/15/98/44/296159844.db2.gz HYAKVBOILRAOOI-CYBMUJFWSA-N 1 0 316.336 2.594 20 5 DFBDRO CC(C)C[C@H](C[NH3+])CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000595958118 399140688 /nfs/dbraw/zinc/14/06/88/399140688.db2.gz JHTXDIIMBCJIRM-ZDUSSCGKSA-N 1 0 321.421 2.957 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1OC ZINC000274902087 212021518 /nfs/dbraw/zinc/02/15/18/212021518.db2.gz HHZGMSCAMODCPG-IACUBPJLSA-N 1 0 314.769 2.530 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[C@@H]1[NH3+] ZINC000420186251 296161289 /nfs/dbraw/zinc/16/12/89/296161289.db2.gz LXLNYUHLGYPKBV-GWCFXTLKSA-N 1 0 318.402 2.892 20 5 DFBDRO C[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H]1C[NH3+] ZINC000420191543 296161389 /nfs/dbraw/zinc/16/13/89/296161389.db2.gz RRVVYMUYEILEGU-XHDPSFHLSA-N 1 0 300.362 2.707 20 5 DFBDRO CC(=O)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1[N+](=O)[O-] ZINC000420209935 296162537 /nfs/dbraw/zinc/16/25/37/296162537.db2.gz CMXKGQQUKMRMJT-ONXXMXGDSA-N 1 0 303.362 2.517 20 5 DFBDRO [NH3+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420201127 296161900 /nfs/dbraw/zinc/16/19/00/296161900.db2.gz NTFTYOUCWCOKBU-ZDUSSCGKSA-N 1 0 316.336 2.723 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000420220872 296163339 /nfs/dbraw/zinc/16/33/39/296163339.db2.gz PVUVMWOSVAQJRF-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000420212953 296162704 /nfs/dbraw/zinc/16/27/04/296162704.db2.gz UOVZOPNNBUKGSX-LBPRGKRZSA-N 1 0 300.362 2.945 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595967725 399141870 /nfs/dbraw/zinc/14/18/70/399141870.db2.gz UQIKDHZRBZRBIX-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC2(C1)CC[NH2+]CC2 ZINC000420226508 296163689 /nfs/dbraw/zinc/16/36/89/296163689.db2.gz LYKZFEXWGAVBCR-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420234232 296164351 /nfs/dbraw/zinc/16/43/51/296164351.db2.gz BDUPLNATTHEHOF-KRWDZBQOSA-N 1 0 312.373 2.832 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[C@H]3CC[NH2+]C3)c2)c1 ZINC000600782442 399144619 /nfs/dbraw/zinc/14/46/19/399144619.db2.gz KYVVTCBOSZIPPU-CQSZACIVSA-N 1 0 312.369 2.906 20 5 DFBDRO COc1cc(N(CC[NH3+])CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000420236142 296164599 /nfs/dbraw/zinc/16/45/99/296164599.db2.gz FZVWEXBQKILNFW-UHFFFAOYSA-N 1 0 315.373 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2cccc(C[NH2+]C3CCOCC3)c2)cn1 ZINC000600789986 399148044 /nfs/dbraw/zinc/14/80/44/399148044.db2.gz VUDXASUHYHQTDU-UHFFFAOYSA-N 1 0 313.357 2.925 20 5 DFBDRO C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420254895 296166041 /nfs/dbraw/zinc/16/60/41/296166041.db2.gz DXGZTWOXVIBDHK-DGCLKSJQSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420253641 296166043 /nfs/dbraw/zinc/16/60/43/296166043.db2.gz QDAKQCSXVUWGKU-JOYOIKCWSA-N 1 0 304.375 2.644 20 5 DFBDRO [NH3+]C[C@@H](CO)Cc1ccc(-c2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000600788150 399146383 /nfs/dbraw/zinc/14/63/83/399146383.db2.gz CJODTCYKXMPSRG-LBPRGKRZSA-N 1 0 304.321 2.511 20 5 DFBDRO Cc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000600789260 399146796 /nfs/dbraw/zinc/14/67/96/399146796.db2.gz KPYMZVJGFIARRR-ZDUSSCGKSA-N 1 0 318.348 2.819 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@H](C)CCCC[NH3+] ZINC000420264343 296166962 /nfs/dbraw/zinc/16/69/62/296166962.db2.gz UWXDQFCKAGQFME-LLVKDONJSA-N 1 0 318.377 2.503 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C[NH3+])C1 ZINC000420263574 296167069 /nfs/dbraw/zinc/16/70/69/296167069.db2.gz UDHZPCAIMKDLOZ-ONGXEEELSA-N 1 0 315.320 2.760 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654640 204057688 /nfs/dbraw/zinc/05/76/88/204057688.db2.gz QFHMADIIIGOCEK-NWDGAFQWSA-N 1 0 323.780 2.605 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NCCC[NH2+]Cc1cccnc1 ZINC000596015576 399149256 /nfs/dbraw/zinc/14/92/56/399149256.db2.gz DUBVFFUHJPETSM-UHFFFAOYSA-N 1 0 316.361 2.590 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc(C)cc1[N+](=O)[O-] ZINC000420271943 296167858 /nfs/dbraw/zinc/16/78/58/296167858.db2.gz HUCFHAUNDXMTBD-AWEZNQCLSA-N 1 0 300.362 2.973 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[C@@H]1CCC[NH2+]1 ZINC000420279647 296168727 /nfs/dbraw/zinc/16/87/27/296168727.db2.gz KLIMZLRIYSDKMP-LBPRGKRZSA-N 1 0 321.377 2.634 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000341247753 284259343 /nfs/dbraw/zinc/25/93/43/284259343.db2.gz SVDDXPZGXMBXRX-BFHYXJOUSA-N 1 0 322.430 2.992 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000420282396 296169232 /nfs/dbraw/zinc/16/92/32/296169232.db2.gz SBSAQAXKSVTJEV-AWEZNQCLSA-N 1 0 321.377 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCSCC2)c2ccncc21 ZINC000264817762 204179821 /nfs/dbraw/zinc/17/98/21/204179821.db2.gz QKACKVQBVBWXPI-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC000420285927 296169358 /nfs/dbraw/zinc/16/93/58/296169358.db2.gz VXLAOMFNHXGESF-CQSZACIVSA-N 1 0 300.362 2.973 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596058120 399157703 /nfs/dbraw/zinc/15/77/03/399157703.db2.gz DCONFUWVELNKSN-AWEZNQCLSA-N 1 0 321.396 2.946 20 5 DFBDRO C[NH+](C)CCCCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000264915977 204263988 /nfs/dbraw/zinc/26/39/88/204263988.db2.gz OJIMBVGFYKCJFY-UHFFFAOYSA-N 1 0 321.402 2.881 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CCOCCF)o2)c1 ZINC000596057821 399158008 /nfs/dbraw/zinc/15/80/08/399158008.db2.gz WDWGWNIFLXCTTL-UHFFFAOYSA-N 1 0 308.309 2.931 20 5 DFBDRO COc1cc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1C ZINC000596065399 399161284 /nfs/dbraw/zinc/16/12/84/399161284.db2.gz FZKUQMXSZNFBGH-UHFFFAOYSA-N 1 0 305.378 2.951 20 5 DFBDRO CCN1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618574642 399164744 /nfs/dbraw/zinc/16/47/44/399164744.db2.gz FFXLXHWCDZFAHK-VUCTXSBTSA-N 1 0 303.406 2.902 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618574638 399164970 /nfs/dbraw/zinc/16/49/70/399164970.db2.gz FFXLXHWCDZFAHK-AFAVFJNCSA-N 1 0 303.406 2.902 20 5 DFBDRO CC1CC[NH+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596078402 399165639 /nfs/dbraw/zinc/16/56/39/399165639.db2.gz VJURMUCLIOCRBI-UHFFFAOYSA-N 1 0 308.382 2.619 20 5 DFBDRO C[C@@H]1CCC[C@@](CNc2cc[nH]c(=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000596089239 399169668 /nfs/dbraw/zinc/16/96/68/399169668.db2.gz XBMPUAPFONTFNS-IAQYHMDHSA-N 1 0 308.382 2.618 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccc(F)cc1 ZINC000282508038 217050685 /nfs/dbraw/zinc/05/06/85/217050685.db2.gz ROPPTLPJNJHZPB-KRWDZBQOSA-N 1 0 318.348 2.942 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584825 399170147 /nfs/dbraw/zinc/17/01/47/399170147.db2.gz OIBGQNULLAIERF-CABCVRRESA-N 1 0 315.377 2.534 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCOCCF)cc1[N+](=O)[O-] ZINC000596096718 399171864 /nfs/dbraw/zinc/17/18/64/399171864.db2.gz YFCCRCJNSOVHLZ-NSHDSACASA-N 1 0 300.330 2.630 20 5 DFBDRO CC[NH+](CC)CCCCNc1c(Cl)cncc1[N+](=O)[O-] ZINC000596097983 399172191 /nfs/dbraw/zinc/17/21/91/399172191.db2.gz LUEVACULUNWIFE-UHFFFAOYSA-N 1 0 300.790 2.599 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000420379962 296183649 /nfs/dbraw/zinc/18/36/49/296183649.db2.gz BWSDRAOGHLOMIC-OLZOCXBDSA-N 1 0 307.394 2.564 20 5 DFBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1C(F)(F)F ZINC000596115197 399179161 /nfs/dbraw/zinc/17/91/61/399179161.db2.gz LYQBJOQOURNEMQ-LLVKDONJSA-N 1 0 315.295 2.898 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000596125382 399181425 /nfs/dbraw/zinc/18/14/25/399181425.db2.gz PMBZTPNBKFMVKT-INIZCTEOSA-N 1 0 320.393 2.766 20 5 DFBDRO Cc1cc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600950929 399184641 /nfs/dbraw/zinc/18/46/41/399184641.db2.gz BRTRLWUTAKWTFQ-JQWIXIFHSA-N 1 0 317.311 2.867 20 5 DFBDRO C[C@@H]1C[C@H]([NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000600962909 399188200 /nfs/dbraw/zinc/18/82/00/399188200.db2.gz PCLHLJCAKUTQEN-KOLCDFICSA-N 1 0 304.375 2.644 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(N3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000600962036 399188476 /nfs/dbraw/zinc/18/84/76/399188476.db2.gz TVZHZFQWLJBBGU-TXEJJXNPSA-N 1 0 316.386 2.659 20 5 DFBDRO CC(C)[NH+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000600964620 399189514 /nfs/dbraw/zinc/18/95/14/399189514.db2.gz DPBIBIMWIMDQFV-UHFFFAOYSA-N 1 0 311.357 2.583 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1nccc3cc([N+](=O)[O-])ccc31)C2 ZINC000600955736 399186754 /nfs/dbraw/zinc/18/67/54/399186754.db2.gz GEUKRMDPSOAOSV-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO O=[N+]([O-])c1ccc(NCc2cccc3c2CC[NH2+]C3)c(F)c1 ZINC000600958228 399187369 /nfs/dbraw/zinc/18/73/69/399187369.db2.gz DBVLEMNGPNWQQP-UHFFFAOYSA-N 1 0 301.321 2.992 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000266141990 205133164 /nfs/dbraw/zinc/13/31/64/205133164.db2.gz QVFFMQHTUDNSNT-UHFFFAOYSA-N 1 0 315.320 2.727 20 5 DFBDRO Cc1cc(NC[C@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])s1 ZINC000596149742 399191726 /nfs/dbraw/zinc/19/17/26/399191726.db2.gz PYHKCJOXOIJKLU-GFCCVEGCSA-N 1 0 301.437 2.814 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000198107859 399190315 /nfs/dbraw/zinc/19/03/15/399190315.db2.gz JBCVGXVQYVTXPY-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266168481 205153744 /nfs/dbraw/zinc/15/37/44/205153744.db2.gz QFNXYFQBQCDALO-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000266170485 205155697 /nfs/dbraw/zinc/15/56/97/205155697.db2.gz RCHYACOPAGWZCK-CABCVRRESA-N 1 0 322.361 2.509 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000600984300 399195735 /nfs/dbraw/zinc/19/57/35/399195735.db2.gz SZCUTHQBGLEDML-UHFFFAOYSA-N 1 0 323.368 2.679 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1C(C)C ZINC000063618479 399198362 /nfs/dbraw/zinc/19/83/62/399198362.db2.gz JIOOPDFUWRRTCS-HNNXBMFYSA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000266302931 205250011 /nfs/dbraw/zinc/25/00/11/205250011.db2.gz KRSSELIFWWHPTQ-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000600998533 399198860 /nfs/dbraw/zinc/19/88/60/399198860.db2.gz WQRALIZXAGWGNW-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011461 399203118 /nfs/dbraw/zinc/20/31/18/399203118.db2.gz RKGPFTXRPLUPCG-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000063725996 399204363 /nfs/dbraw/zinc/20/43/63/399204363.db2.gz IGWBZOHANAKTHP-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000420642691 296195358 /nfs/dbraw/zinc/19/53/58/296195358.db2.gz WLQYIMUXKZRECN-SECBINFHSA-N 1 0 318.299 2.539 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CSC2(C)C)c([N+](=O)[O-])cc1OC ZINC000282919468 217324064 /nfs/dbraw/zinc/32/40/64/217324064.db2.gz VUZHGEMQQUHQHT-CYBMUJFWSA-N 1 0 312.391 2.596 20 5 DFBDRO CC(C)(CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000018172032 182095766 /nfs/dbraw/zinc/09/57/66/182095766.db2.gz OGSHTYHIGCREIQ-UHFFFAOYSA-N 1 0 320.393 2.981 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCCSC2)c([N+](=O)[O-])cc1OC ZINC000271812777 209236946 /nfs/dbraw/zinc/23/69/46/209236946.db2.gz LDWONHNHOJWNNH-LLVKDONJSA-N 1 0 312.391 2.597 20 5 DFBDRO C[NH+](C)Cc1ccc(CNc2ccc([N+](=O)[O-])nc2)cc1F ZINC000342772133 284407999 /nfs/dbraw/zinc/40/79/99/284407999.db2.gz DKFZRUPIJLCMQV-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000020566129 182232962 /nfs/dbraw/zinc/23/29/62/182232962.db2.gz MPQIZNHJLCJSRP-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000601100572 399227207 /nfs/dbraw/zinc/22/72/07/399227207.db2.gz UYPWNPMRTKOSCZ-CYBMUJFWSA-N 1 0 320.324 2.971 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000601100199 399226673 /nfs/dbraw/zinc/22/66/73/399226673.db2.gz HVMYBVHPEPTRTH-CQSZACIVSA-N 1 0 322.315 2.983 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000362974908 296210338 /nfs/dbraw/zinc/21/03/38/296210338.db2.gz BZYSCHPCVUNCBE-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346626 206000490 /nfs/dbraw/zinc/00/04/90/206000490.db2.gz LBEAUKVAQIQMFQ-QWHCGFSZSA-N 1 0 323.780 2.605 20 5 DFBDRO CC(C)(O)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267374111 206020696 /nfs/dbraw/zinc/02/06/96/206020696.db2.gz FFEHAHXAJXLPMR-UHFFFAOYSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@@H](NC(=O)N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000267402799 206042332 /nfs/dbraw/zinc/04/23/32/206042332.db2.gz YVTRDMBMDKYAMM-SWLSCSKDSA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136703 399237902 /nfs/dbraw/zinc/23/79/02/399237902.db2.gz JVHWKZMWGBQEMM-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1CC(Nc2ccnc3ccc([N+](=O)[O-])cc32)C[C@@H](C)O1 ZINC000601135795 399238015 /nfs/dbraw/zinc/23/80/15/399238015.db2.gz INJHPBAYMRMNTR-GHMZBOCLSA-N 1 0 301.346 2.933 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ncc(F)cc2[N+](=O)[O-])cc1 ZINC000601152811 399242621 /nfs/dbraw/zinc/24/26/21/399242621.db2.gz GEIGHVKBPVMIBD-UHFFFAOYSA-N 1 0 318.352 2.845 20 5 DFBDRO Cc1cccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601150391 399241847 /nfs/dbraw/zinc/24/18/47/399241847.db2.gz WTWYYAVSETUPBR-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000420957255 296217651 /nfs/dbraw/zinc/21/76/51/296217651.db2.gz AAJURBWNZQIPPJ-CQSZACIVSA-N 1 0 317.389 2.706 20 5 DFBDRO C[C@@H]1C[NH+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000267641134 206190527 /nfs/dbraw/zinc/19/05/27/206190527.db2.gz IVLVAQDGIRFZPK-GHMZBOCLSA-N 1 0 302.334 2.733 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]2C1 ZINC000601185457 399250476 /nfs/dbraw/zinc/25/04/76/399250476.db2.gz VBXKRWYZUHMVKD-OLZOCXBDSA-N 1 0 312.373 2.531 20 5 DFBDRO C[N@@H+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1(C)C ZINC000601187913 399251281 /nfs/dbraw/zinc/25/12/81/399251281.db2.gz ZWPQEYQRRKIDBD-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CSC1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCC1 ZINC000618967438 399266547 /nfs/dbraw/zinc/26/65/47/399266547.db2.gz AAKRPGLCYFRZFH-UHFFFAOYSA-N 1 0 324.402 2.741 20 5 DFBDRO CCN(CCC[NH+](C)C)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000487762031 299477619 /nfs/dbraw/zinc/47/76/19/299477619.db2.gz NLZJBTJODSTKPX-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000601306688 399274080 /nfs/dbraw/zinc/27/40/80/399274080.db2.gz OLXLFUYDFAOCQE-DBIOUOCHSA-N 1 0 318.299 2.815 20 5 DFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCCC1 ZINC000614978021 399287602 /nfs/dbraw/zinc/28/76/02/399287602.db2.gz RZGIHKPMRHWFME-WDEREUQCSA-N 1 0 313.448 2.672 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421525198 296263027 /nfs/dbraw/zinc/26/30/27/296263027.db2.gz FKWZIXQCDJPJIZ-KGLIPLIRSA-N 1 0 317.389 2.568 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421540360 296264262 /nfs/dbraw/zinc/26/42/62/296264262.db2.gz SOYQLGSZVWXHAY-CYBMUJFWSA-N 1 0 307.394 2.672 20 5 DFBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)c1 ZINC000608974063 399302126 /nfs/dbraw/zinc/30/21/26/399302126.db2.gz WBLBPWWNVHZJIN-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO CCC[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042303661 183252433 /nfs/dbraw/zinc/25/24/33/183252433.db2.gz GJTFCZHCSAUKAQ-UHFFFAOYSA-N 1 0 309.395 2.590 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000043467423 183365254 /nfs/dbraw/zinc/36/52/54/183365254.db2.gz CWIHXAYKKFZEPH-UHFFFAOYSA-N 1 0 320.393 2.982 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000619284002 399324522 /nfs/dbraw/zinc/32/45/22/399324522.db2.gz YEUQHBXGSZYYGV-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1[NH+](C)C ZINC000268285532 206608420 /nfs/dbraw/zinc/60/84/20/206608420.db2.gz XMABGYOLPFPZFZ-ZBEGNZNMSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000609833531 399332945 /nfs/dbraw/zinc/33/29/45/399332945.db2.gz MMWDXPAGSTUULM-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000609876640 399334758 /nfs/dbraw/zinc/33/47/58/399334758.db2.gz DGXAFGZSUUXJHA-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000344918940 284706773 /nfs/dbraw/zinc/70/67/73/284706773.db2.gz YAMFHJDIRGOBJD-OFCDUSSDSA-N 1 0 317.389 2.632 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284410940 218016626 /nfs/dbraw/zinc/01/66/26/218016626.db2.gz QNIUNPZVDMZTAL-BJJXKVORSA-N 1 0 324.421 2.712 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000619451639 399349044 /nfs/dbraw/zinc/34/90/44/399349044.db2.gz NFJBXYMMOSYTCO-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000610251834 399350866 /nfs/dbraw/zinc/35/08/66/399350866.db2.gz KHDYOMCJMDTASX-HUBLWGQQSA-N 1 0 305.378 2.502 20 5 DFBDRO CCC(=O)c1ccc(N[C@@H]2C[N@H+](CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000619484862 399352876 /nfs/dbraw/zinc/35/28/76/399352876.db2.gz KKEYXSHDXJNXPL-BXUZGUMPSA-N 1 0 305.378 2.940 20 5 DFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000619531272 399358585 /nfs/dbraw/zinc/35/85/85/399358585.db2.gz PXJFUISBNZMJOX-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284904853 218228887 /nfs/dbraw/zinc/22/88/87/218228887.db2.gz CHXQVRXVTTWUGQ-RBOXIYTFSA-N 1 0 307.394 2.889 20 5 DFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000284910351 218231480 /nfs/dbraw/zinc/23/14/80/218231480.db2.gz VFJGQDRWGMLWLH-INIZCTEOSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105899902 194164421 /nfs/dbraw/zinc/16/44/21/194164421.db2.gz GHOYCXISSSFYLF-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1cnn([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105901383 194165337 /nfs/dbraw/zinc/16/53/37/194165337.db2.gz RYZAGMQNPJQFMJ-KRWDZBQOSA-N 1 0 314.389 2.979 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610476734 399371608 /nfs/dbraw/zinc/37/16/08/399371608.db2.gz YDMCMCRNNYSVDW-HOTGVXAUSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285045652 218269128 /nfs/dbraw/zinc/26/91/28/218269128.db2.gz IFSMSDPYYNGVSO-SMDDNHRTSA-N 1 0 313.357 2.831 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000610539411 399378578 /nfs/dbraw/zinc/37/85/78/399378578.db2.gz ODHCYDFVVRRTNM-OZVIIMIRSA-N 1 0 305.378 2.502 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582297 399382738 /nfs/dbraw/zinc/38/27/38/399382738.db2.gz CGGCUANSXVCAKS-CYBMUJFWSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582601 399382761 /nfs/dbraw/zinc/38/27/61/399382761.db2.gz CSWGZLXXUPYRPL-NEPJUHHUSA-N 1 0 318.377 2.651 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000615838925 399388224 /nfs/dbraw/zinc/38/82/24/399388224.db2.gz XXTRRGNDFPEZQI-DJXGBFBFSA-N 1 0 313.361 2.537 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000610678131 399392376 /nfs/dbraw/zinc/39/23/76/399392376.db2.gz DDLWKMIOIFQGLP-XHDPSFHLSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000109966983 194301275 /nfs/dbraw/zinc/30/12/75/194301275.db2.gz URGKRMFBCBTRIO-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602158725 399402939 /nfs/dbraw/zinc/40/29/39/399402939.db2.gz DKMGEMVXOGONLW-LBPRGKRZSA-N 1 0 320.393 2.695 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000056494161 184013692 /nfs/dbraw/zinc/01/36/92/184013692.db2.gz LNEDVDSJQVRPHE-UHFFFAOYSA-N 1 0 309.435 2.964 20 5 DFBDRO CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268939525 207103391 /nfs/dbraw/zinc/10/33/91/207103391.db2.gz SPMLSPGPANWZAG-AWEZNQCLSA-N 1 0 305.378 2.681 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000610828325 399410614 /nfs/dbraw/zinc/41/06/14/399410614.db2.gz RSDBXUJZXFWZBF-XNJGSVPQSA-N 1 0 319.405 2.811 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000610828324 399410713 /nfs/dbraw/zinc/41/07/13/399410713.db2.gz RSDBXUJZXFWZBF-IGCXYCKISA-N 1 0 319.405 2.811 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610828033 399410832 /nfs/dbraw/zinc/41/08/32/399410832.db2.gz FYJKJBPPINUNDY-DQYPLSBCSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]1C[NH+](CCCCNc2ccsc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000610864662 399413839 /nfs/dbraw/zinc/41/38/39/399413839.db2.gz XAXTVYSLYYNPFV-VXGBXAGGSA-N 1 0 313.423 2.958 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN(C)CCOC(C)(C)C ZINC000610859973 399412901 /nfs/dbraw/zinc/41/29/01/399412901.db2.gz YDGXCBFORRPRGG-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000422726964 296322370 /nfs/dbraw/zinc/32/23/70/296322370.db2.gz AZUBSANHVQAHJF-OCCSQVGLSA-N 1 0 305.378 2.554 20 5 DFBDRO CC[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C ZINC000616062517 399417758 /nfs/dbraw/zinc/41/77/58/399417758.db2.gz NXGDNSHATFLBBG-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCOC3(CCC3)C2)c([N+](=O)[O-])cc1O ZINC000268967843 207132295 /nfs/dbraw/zinc/13/22/95/207132295.db2.gz LMQNYCHICWYWCJ-LBPRGKRZSA-N 1 0 322.361 2.500 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c2OCO3)cc1 ZINC000058065218 184073088 /nfs/dbraw/zinc/07/30/88/184073088.db2.gz NLNHHZFKMQFEJD-UHFFFAOYSA-N 1 0 300.314 2.656 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc(OC)c1 ZINC000058093435 184074562 /nfs/dbraw/zinc/07/45/62/184074562.db2.gz USXTYAAETFXAPE-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000269000844 207156729 /nfs/dbraw/zinc/15/67/29/207156729.db2.gz UTXPBNJUIUAQGO-BBRMVZONSA-N 1 0 323.462 2.991 20 5 DFBDRO CCN(CC)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000058524267 184121514 /nfs/dbraw/zinc/12/15/14/184121514.db2.gz MDJRKPPSLBTHPU-UHFFFAOYSA-N 1 0 319.405 2.675 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C ZINC000611084523 399432878 /nfs/dbraw/zinc/43/28/78/399432878.db2.gz CFRQNJAERQISLV-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCOC ZINC000611228179 399448149 /nfs/dbraw/zinc/44/81/49/399448149.db2.gz NZUSGOIADIEPJI-GFCCVEGCSA-N 1 0 313.423 2.593 20 5 DFBDRO CC[C@H](NC(=O)[C@H]([NH3+])CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602462805 399450158 /nfs/dbraw/zinc/45/01/58/399450158.db2.gz RLVWNXHRQXCRKA-CABCVRRESA-N 1 0 307.394 2.926 20 5 DFBDRO Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602459847 399450221 /nfs/dbraw/zinc/45/02/21/399450221.db2.gz VFYCIWOFVSZDQY-INIZCTEOSA-N 1 0 314.389 2.844 20 5 DFBDRO CN(C)CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000611191018 399444493 /nfs/dbraw/zinc/44/44/93/399444493.db2.gz HPBPRCYIBYKUJQ-UHFFFAOYSA-N 1 0 305.422 2.944 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000611270115 399454383 /nfs/dbraw/zinc/45/43/83/399454383.db2.gz RRIJJLIFQZPGTE-SEJWUHKESA-N 1 0 312.373 2.969 20 5 DFBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478457 399457167 /nfs/dbraw/zinc/45/71/67/399457167.db2.gz YKMBXFATLWLFAZ-WFASDCNBSA-N 1 0 300.362 2.706 20 5 DFBDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000611298973 399459408 /nfs/dbraw/zinc/45/94/08/399459408.db2.gz DGSYRXSGJGXBAA-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)CC[C@@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602498025 399461122 /nfs/dbraw/zinc/46/11/22/399461122.db2.gz CISNYKGPXJEVDC-OAHLLOKOSA-N 1 0 319.405 2.849 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1Cl ZINC000062979821 184264525 /nfs/dbraw/zinc/26/45/25/184264525.db2.gz WDZJEYWTCZPKIQ-CYBMUJFWSA-N 1 0 309.797 2.918 20 5 DFBDRO Cc1nc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cs1 ZINC000602512518 399464785 /nfs/dbraw/zinc/46/47/85/399464785.db2.gz WHDJSRLNZCZBHU-UHFFFAOYSA-N 1 0 318.358 2.833 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@@H]2CCOC2)cc1Br ZINC000602511233 399464808 /nfs/dbraw/zinc/46/48/08/399464808.db2.gz OGDXKWVYXJEVDS-ZETCQYMHSA-N 1 0 321.196 2.545 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000269149661 207276972 /nfs/dbraw/zinc/27/69/72/207276972.db2.gz MPAKMPDJXLDILE-SNVBAGLBSA-N 1 0 317.345 2.540 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000602518379 399466185 /nfs/dbraw/zinc/46/61/85/399466185.db2.gz QSHSGUQPVJTGHB-SNVBAGLBSA-N 1 0 317.345 2.869 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000611377132 399467551 /nfs/dbraw/zinc/46/75/51/399467551.db2.gz LULQFMFJVSNKMK-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO CN1CCC[C@H]1C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602533373 399469362 /nfs/dbraw/zinc/46/93/62/399469362.db2.gz XNCIEDXULKULQY-LBPRGKRZSA-N 1 0 317.311 2.797 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000602535381 399469990 /nfs/dbraw/zinc/46/99/90/399469990.db2.gz YGCJFHJEIZQOCC-CYBMUJFWSA-N 1 0 317.389 2.534 20 5 DFBDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602544517 399471406 /nfs/dbraw/zinc/47/14/06/399471406.db2.gz CKLCMHPITOVYHN-VIFPVBQESA-N 1 0 323.212 2.525 20 5 DFBDRO COC(=O)c1csc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602544469 399471459 /nfs/dbraw/zinc/47/14/59/399471459.db2.gz JGPGWCRWHXQOAG-UHFFFAOYSA-N 1 0 320.370 2.775 20 5 DFBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000611409142 399471513 /nfs/dbraw/zinc/47/15/13/399471513.db2.gz SWGDYHIVVSYUCN-SNVBAGLBSA-N 1 0 305.334 2.929 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000602550999 399473650 /nfs/dbraw/zinc/47/36/50/399473650.db2.gz ATZRQCBNSBGAFH-WDEREUQCSA-N 1 0 323.418 2.577 20 5 DFBDRO Cc1ccc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)cn1 ZINC000602551548 399474039 /nfs/dbraw/zinc/47/40/39/399474039.db2.gz PKPDHIIIFNMGNL-UHFFFAOYSA-N 1 0 312.329 2.772 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000346796526 284949529 /nfs/dbraw/zinc/94/95/29/284949529.db2.gz SFXCOUXHLSVOSM-HOCLYGCPSA-N 1 0 308.378 2.897 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)(C)n2cncn2)cc1[N+](=O)[O-] ZINC000602562996 399476361 /nfs/dbraw/zinc/47/63/61/399476361.db2.gz LAJHLOQGVDTMCN-CHWSQXEVSA-N 1 0 317.393 2.969 20 5 DFBDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000422758001 296327810 /nfs/dbraw/zinc/32/78/10/296327810.db2.gz DMDSIZSNVAJXFE-ZDUSSCGKSA-N 1 0 305.378 2.542 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000611471329 399479530 /nfs/dbraw/zinc/47/95/30/399479530.db2.gz SKHLJPGVZNFOMS-CHWSQXEVSA-N 1 0 300.362 2.765 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2nccn2C1 ZINC000611471330 399479581 /nfs/dbraw/zinc/47/95/81/399479581.db2.gz SKHLJPGVZNFOMS-OLZOCXBDSA-N 1 0 300.362 2.765 20 5 DFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580033 399481575 /nfs/dbraw/zinc/48/15/75/399481575.db2.gz CCCUUWXJWMHBMF-UPJWGTAASA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602580760 399481640 /nfs/dbraw/zinc/48/16/40/399481640.db2.gz FVJWJGOENBTDEC-GHMZBOCLSA-N 1 0 305.334 2.641 20 5 DFBDRO CSc1ccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602576438 399481101 /nfs/dbraw/zinc/48/11/01/399481101.db2.gz CATRPGKWLZUOAK-GFCCVEGCSA-N 1 0 323.418 2.660 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502302 399483293 /nfs/dbraw/zinc/48/32/93/399483293.db2.gz RAXUMVOURRWGIO-WCQYABFASA-N 1 0 323.368 2.912 20 5 DFBDRO COc1cc(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000611515642 399485573 /nfs/dbraw/zinc/48/55/73/399485573.db2.gz DKAQEWITVJUQSO-GJZGRUSLSA-N 1 0 319.405 2.662 20 5 DFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000611515982 399486300 /nfs/dbraw/zinc/48/63/00/399486300.db2.gz XIIIZPICGWEMJO-CYBMUJFWSA-N 1 0 322.361 2.521 20 5 DFBDRO CC1(C)CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602624325 399494328 /nfs/dbraw/zinc/49/43/28/399494328.db2.gz MIMRHRKQBKLDQA-NSHDSACASA-N 1 0 305.334 2.783 20 5 DFBDRO C[C@H]([NH2+]CCCc1nccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294564547 224091003 /nfs/dbraw/zinc/09/10/03/224091003.db2.gz BQCJHSHGWJPFDO-JTQLQIEISA-N 1 0 306.391 2.917 20 5 DFBDRO Cn1ccnc1[C@H](C1CC1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000602649129 399502444 /nfs/dbraw/zinc/50/24/44/399502444.db2.gz HJJKBAHBUQFQRF-INIZCTEOSA-N 1 0 314.389 2.954 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656819 399504587 /nfs/dbraw/zinc/50/45/87/399504587.db2.gz OEHYZIHJOWJYSJ-LBPRGKRZSA-N 1 0 318.377 2.556 20 5 DFBDRO COc1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292920744 532959119 /nfs/dbraw/zinc/95/91/19/532959119.db2.gz YMGBWGIXAWESLR-INIZCTEOSA-N 1 0 305.378 2.526 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869824 296347819 /nfs/dbraw/zinc/34/78/19/296347819.db2.gz YDVCZGGWHFZZLT-HIFRSBDPSA-N 1 0 319.405 2.966 20 5 DFBDRO CC(F)(F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602670369 399512168 /nfs/dbraw/zinc/51/21/68/399512168.db2.gz DWWWIFPAWQBKEB-UHFFFAOYSA-N 1 0 314.336 2.594 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)C1CCOCC1 ZINC000119695489 195019104 /nfs/dbraw/zinc/01/91/04/195019104.db2.gz XRVUEMKGZXBNEB-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000119655206 195010807 /nfs/dbraw/zinc/01/08/07/195010807.db2.gz RPEQPEMFRZZZKG-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C(C)C)C1CCC1 ZINC000119785333 195036903 /nfs/dbraw/zinc/03/69/03/195036903.db2.gz LUNCVMUQAUSOMJ-UHFFFAOYSA-N 1 0 321.377 2.805 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCCO1 ZINC000119722911 195026126 /nfs/dbraw/zinc/02/61/26/195026126.db2.gz HXTHVOTZWXNRET-LSDHHAIUSA-N 1 0 322.361 2.509 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CC[C@H](C)[C@H]([NH3+])[C@@H]2C)c1 ZINC000297361003 533009313 /nfs/dbraw/zinc/00/93/13/533009313.db2.gz KOPUCZBXBXTRBP-BHDSKKPTSA-N 1 0 323.418 2.515 20 5 DFBDRO CCOc1cc(C[N@@H+](C)C2CC(OCC)C2)ccc1[N+](=O)[O-] ZINC000347452171 285044780 /nfs/dbraw/zinc/04/47/80/285044780.db2.gz LKEMNDPGXXRSPW-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CCSC1 ZINC000119954343 195069827 /nfs/dbraw/zinc/06/98/27/195069827.db2.gz WLKONLMRJAKDHR-ZDUSSCGKSA-N 1 0 323.418 2.669 20 5 DFBDRO CC[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000120006769 195079314 /nfs/dbraw/zinc/07/93/14/195079314.db2.gz VDFPWPGCHCSPOY-UHFFFAOYSA-N 1 0 307.394 2.574 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602683788 399519581 /nfs/dbraw/zinc/51/95/81/399519581.db2.gz SNLKZFBWLCQHHC-GFCCVEGCSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]3C3CCC3)CC2)cn1 ZINC000602693374 399523126 /nfs/dbraw/zinc/52/31/26/399523126.db2.gz GVLVRIYRAFMSPK-JKSUJKDBSA-N 1 0 316.405 2.737 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270061266 208118326 /nfs/dbraw/zinc/11/83/26/208118326.db2.gz FKBYEBZYRISSDX-AWEZNQCLSA-N 1 0 319.405 2.772 20 5 DFBDRO CC(C)CO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000120152774 195106801 /nfs/dbraw/zinc/10/68/01/195106801.db2.gz VEIHJBXNGKDENH-MRXNPFEDSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[C@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602711603 399533718 /nfs/dbraw/zinc/53/37/18/399533718.db2.gz RSLAIGZLWZBHLL-ZDUSSCGKSA-N 1 0 306.410 2.984 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000318594183 533040116 /nfs/dbraw/zinc/04/01/16/533040116.db2.gz IURFIGVCUTWASP-QWRGUYRKSA-N 1 0 309.341 2.781 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@H]3CCCOC3)nc2c1 ZINC000602720952 399539053 /nfs/dbraw/zinc/53/90/53/399539053.db2.gz MVVDMMNVZMZICY-LLVKDONJSA-N 1 0 305.334 2.642 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC=CC3)CC2)cn1 ZINC000602720604 399539132 /nfs/dbraw/zinc/53/91/32/399539132.db2.gz LQHLAZSIJGQQQD-UHFFFAOYSA-N 1 0 302.378 2.514 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000347628120 285100940 /nfs/dbraw/zinc/10/09/40/285100940.db2.gz HQGWYBPWWOTOAT-DZGCQCFKSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@](CO)([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000602732501 399546007 /nfs/dbraw/zinc/54/60/07/399546007.db2.gz QRUPFAFRXZVGGC-UMPJEAMMSA-N 1 0 304.390 2.828 20 5 DFBDRO C[C@@](CO)([NH2+]CCc1ccccc1F)c1cccc([N+](=O)[O-])c1 ZINC000602731511 399546049 /nfs/dbraw/zinc/54/60/49/399546049.db2.gz LNELWIPBZNRJFF-KRWDZBQOSA-N 1 0 318.348 2.774 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000372754681 285101912 /nfs/dbraw/zinc/10/19/12/285101912.db2.gz ZEYXYWUKPOZZTK-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO CO[C@@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000602730955 399544665 /nfs/dbraw/zinc/54/46/65/399544665.db2.gz HAKGTIBLGYIGMO-IRXDYDNUSA-N 1 0 322.405 2.597 20 5 DFBDRO Cc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)ncn1 ZINC000611929717 399544745 /nfs/dbraw/zinc/54/47/45/399544745.db2.gz HEXYXUCCMFEPTK-UHFFFAOYSA-N 1 0 309.329 2.584 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cc1 ZINC000094368156 285115214 /nfs/dbraw/zinc/11/52/14/285115214.db2.gz ACNIAWOHZFNKPS-UKRRQHHQSA-N 1 0 308.403 2.739 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287638766 285115677 /nfs/dbraw/zinc/11/56/77/285115677.db2.gz KSTZCGLXPFFKPS-JQWIXIFHSA-N 1 0 304.268 2.794 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000423071490 296374807 /nfs/dbraw/zinc/37/48/07/296374807.db2.gz OKSPKLLDBUOYRA-BBRMVZONSA-N 1 0 319.405 2.720 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)[C@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288632241 220306299 /nfs/dbraw/zinc/30/62/99/220306299.db2.gz STVVOJNYDQPWTK-SJCJKPOMSA-N 1 0 316.357 2.815 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000602764208 399560641 /nfs/dbraw/zinc/56/06/41/399560641.db2.gz UYUVRIFQCYQVAE-ZDUSSCGKSA-N 1 0 306.391 2.998 20 5 DFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000347691734 285133229 /nfs/dbraw/zinc/13/32/29/285133229.db2.gz SZTHNAFOJKTYMM-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO C[N@@H+](Cc1ccsc1)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000612028512 399561328 /nfs/dbraw/zinc/56/13/28/399561328.db2.gz CDGHJYNDNOOMSA-CYBMUJFWSA-N 1 0 322.386 2.528 20 5 DFBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602775335 399566653 /nfs/dbraw/zinc/56/66/53/399566653.db2.gz HXDAVRLUZKYKST-JTQLQIEISA-N 1 0 323.422 2.866 20 5 DFBDRO COc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1C ZINC000602773729 399567312 /nfs/dbraw/zinc/56/73/12/399567312.db2.gz XQTBRMFEYJSVPW-UHFFFAOYSA-N 1 0 318.377 2.549 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CC=CC4)C3)ccc2c1 ZINC000266213817 285149929 /nfs/dbraw/zinc/14/99/29/285149929.db2.gz GTAWRGYNUBNDCE-OAHLLOKOSA-N 1 0 310.357 2.594 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@@H]1c1ccco1 ZINC000602776671 399569311 /nfs/dbraw/zinc/56/93/11/399569311.db2.gz AGULHWYCTWTSAF-CYBMUJFWSA-N 1 0 304.350 2.920 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000602781748 399570888 /nfs/dbraw/zinc/57/08/88/399570888.db2.gz VNNGEDOEPGDXMT-CQSZACIVSA-N 1 0 316.405 2.971 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cccc(F)c1F ZINC000602803604 399581568 /nfs/dbraw/zinc/58/15/68/399581568.db2.gz DMNVNJZPAHZEEI-SECBINFHSA-N 1 0 310.304 2.729 20 5 DFBDRO Cc1cnc(CC[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000157456931 197188793 /nfs/dbraw/zinc/18/87/93/197188793.db2.gz KQXOOXOSJVAVHF-UHFFFAOYSA-N 1 0 321.402 2.913 20 5 DFBDRO COc1ccc(CN2CCC3(CCC[N@@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000612115729 399585327 /nfs/dbraw/zinc/58/53/27/399585327.db2.gz XUWNWKBNJLFHET-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000423224677 296394437 /nfs/dbraw/zinc/39/44/37/296394437.db2.gz JVLACAYOMQFSDC-OAHLLOKOSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000602814008 399586487 /nfs/dbraw/zinc/58/64/87/399586487.db2.gz BKNULISBHVHPLU-SNVBAGLBSA-N 1 0 308.304 2.666 20 5 DFBDRO COc1cc(C[NH+]2CCC([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000612130283 399588701 /nfs/dbraw/zinc/58/87/01/399588701.db2.gz ADMJKBKMXZKGLU-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000602822442 399588811 /nfs/dbraw/zinc/58/88/11/399588811.db2.gz FPHBJIUILBZTRW-UHFFFAOYSA-N 1 0 316.361 2.872 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423269355 296398861 /nfs/dbraw/zinc/39/88/61/296398861.db2.gz FNOYMNZKXWLBJY-XUJVJEKNSA-N 1 0 307.394 2.700 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000602839461 399597819 /nfs/dbraw/zinc/59/78/19/399597819.db2.gz ZGFGAXYQZYTQCC-UHFFFAOYSA-N 1 0 302.378 2.849 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000602846644 399600404 /nfs/dbraw/zinc/60/04/04/399600404.db2.gz PYMMIRZOZLIXBN-NSHDSACASA-N 1 0 320.315 2.764 20 5 DFBDRO CCC[C@H]([NH2+]CCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000120353172 195150379 /nfs/dbraw/zinc/15/03/79/195150379.db2.gz RUDMFIVYMZJLJV-HNNXBMFYSA-N 1 0 307.394 2.798 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423386732 296411413 /nfs/dbraw/zinc/41/14/13/296411413.db2.gz RNMLFFMWKMXINP-DYEKYZERSA-N 1 0 307.394 2.785 20 5 DFBDRO C[C@H]([NH2+][C@@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294695371 224174135 /nfs/dbraw/zinc/17/41/35/224174135.db2.gz ISZTYFNRCYPKBB-BONVTDFDSA-N 1 0 319.336 2.700 20 5 DFBDRO C[N@@H+]1CCN(CCOc2ccccc2[N+](=O)[O-])C[C@H]1C(C)(C)C ZINC000602872957 399610871 /nfs/dbraw/zinc/61/08/71/399610871.db2.gz FEKGIHGMADIWCB-INIZCTEOSA-N 1 0 321.421 2.636 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123616 542436536 /nfs/dbraw/zinc/43/65/36/542436536.db2.gz VUJJJZVFKDZXAK-LRDDRELGSA-N 1 0 320.389 2.597 20 5 DFBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803981 224232940 /nfs/dbraw/zinc/23/29/40/224232940.db2.gz PCRYZEVLVCOLSH-UVBJJODRSA-N 1 0 307.394 2.769 20 5 DFBDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271554648 209007746 /nfs/dbraw/zinc/00/77/46/209007746.db2.gz SOPQKFANDUSHRG-MLGOLLRUSA-N 1 0 318.348 2.988 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423605654 296432763 /nfs/dbraw/zinc/43/27/63/296432763.db2.gz VTEDJWJXAJZIHG-AWEZNQCLSA-N 1 0 319.405 2.932 20 5 DFBDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccccc1[N+](=O)[O-] ZINC000289479079 221005072 /nfs/dbraw/zinc/00/50/72/221005072.db2.gz QFZTYZIGHKVTRU-UHFFFAOYSA-N 1 0 303.362 2.752 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000289484237 221008987 /nfs/dbraw/zinc/00/89/87/221008987.db2.gz QXBDELYOARQMND-OAHLLOKOSA-N 1 0 315.373 2.991 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000289610631 221101296 /nfs/dbraw/zinc/10/12/96/221101296.db2.gz ARQLBHVIDNAYGN-UHFFFAOYSA-N 1 0 318.377 2.541 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c1 ZINC000289676203 221146806 /nfs/dbraw/zinc/14/68/06/221146806.db2.gz CCGXGPDKHCNPQM-ZWKOTPCHSA-N 1 0 312.369 2.851 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+](CC)CC ZINC000289789002 221226757 /nfs/dbraw/zinc/22/67/57/221226757.db2.gz MMTDCLAJSGDPDK-UHFFFAOYSA-N 1 0 308.382 2.621 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C(C)C)CC1 ZINC000292861031 533224238 /nfs/dbraw/zinc/22/42/38/533224238.db2.gz APQNPQUNLFVJET-UHFFFAOYSA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000602958620 399639200 /nfs/dbraw/zinc/63/92/00/399639200.db2.gz GBWUMLGIDUKGFN-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000290005334 221374782 /nfs/dbraw/zinc/37/47/82/221374782.db2.gz ZIXOTJTURJASLL-NSHDSACASA-N 1 0 300.305 2.951 20 5 DFBDRO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602967947 399642224 /nfs/dbraw/zinc/64/22/24/399642224.db2.gz VBWLZPKHSPUADZ-OPRDCNLKSA-N 1 0 320.315 2.880 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000602997706 399654408 /nfs/dbraw/zinc/65/44/08/399654408.db2.gz PDRVTSNTSCUJGH-LZWOXQAQSA-N 1 0 320.389 2.729 20 5 DFBDRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602967948 399642692 /nfs/dbraw/zinc/64/26/92/399642692.db2.gz VBWLZPKHSPUADZ-UTLUCORTSA-N 1 0 320.315 2.880 20 5 DFBDRO CCC1([NH+](C)C)CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000602966715 399642711 /nfs/dbraw/zinc/64/27/11/399642711.db2.gz PDBLTEJDGBBLIC-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987787 399651154 /nfs/dbraw/zinc/65/11/54/399651154.db2.gz RFMOGOLLKPFVFE-SUZMYJTESA-N 1 0 318.295 2.758 20 5 DFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000612613301 399690014 /nfs/dbraw/zinc/69/00/14/399690014.db2.gz WWCNWLLEHQGTIW-JTQLQIEISA-N 1 0 324.356 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]([NH+]4CCCC4)C3)nc2c1 ZINC000617428820 399699422 /nfs/dbraw/zinc/69/94/22/399699422.db2.gz SYONDBRKOWENFS-CYBMUJFWSA-N 1 0 315.377 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000295112030 224445201 /nfs/dbraw/zinc/44/52/01/224445201.db2.gz WEYLVUBJPDPGRH-DOTOQJQBSA-N 1 0 313.357 3.000 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000119556830 542573432 /nfs/dbraw/zinc/57/34/32/542573432.db2.gz ZMVWHRXZPGZYSK-GYSYKLTISA-N 1 0 305.378 2.608 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000122143559 195408888 /nfs/dbraw/zinc/40/88/88/195408888.db2.gz WXBBZMMQWUQCLE-CZUORRHYSA-N 1 0 308.378 2.831 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000423937829 296468330 /nfs/dbraw/zinc/46/83/30/296468330.db2.gz HWECVBAVPLITRP-CYBMUJFWSA-N 1 0 323.418 2.564 20 5 DFBDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603423468 399772995 /nfs/dbraw/zinc/77/29/95/399772995.db2.gz MKRAXPSHBQIKHH-NSHDSACASA-N 1 0 318.320 2.693 20 5 DFBDRO Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000423936495 296468005 /nfs/dbraw/zinc/46/80/05/296468005.db2.gz CNNLDWMIVNCSFK-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC(F)F ZINC000603430381 399774337 /nfs/dbraw/zinc/77/43/37/399774337.db2.gz HLINVVHDEKNPMA-DJTWPOEFSA-N 1 0 300.305 2.604 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC(F)F ZINC000603430387 399774344 /nfs/dbraw/zinc/77/43/44/399774344.db2.gz HLINVVHDEKNPMA-DUWGPSABSA-N 1 0 300.305 2.604 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC(F)F ZINC000603430393 399774394 /nfs/dbraw/zinc/77/43/94/399774394.db2.gz HLINVVHDEKNPMA-JSJZCHLLSA-N 1 0 300.305 2.604 20 5 DFBDRO CCOc1cccc(N2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000613042828 399782516 /nfs/dbraw/zinc/78/25/16/399782516.db2.gz BILUYFUKBFYJLW-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339838 285498958 /nfs/dbraw/zinc/49/89/58/285498958.db2.gz RLSCJIZVQQPVQU-YCPHGPKFSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603582114 399791012 /nfs/dbraw/zinc/79/10/12/399791012.db2.gz MRBFOYBJTJAPNG-AWEZNQCLSA-N 1 0 312.373 2.873 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000195314952 542864252 /nfs/dbraw/zinc/86/42/52/542864252.db2.gz GFTSXGXMUBQXQB-GYSYKLTISA-N 1 0 305.378 2.608 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000128504478 195969406 /nfs/dbraw/zinc/96/94/06/195969406.db2.gz KGODEPJIJQBMBX-NEPJUHHUSA-N 1 0 323.418 2.529 20 5 DFBDRO CC1(C)CC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000603924408 399817378 /nfs/dbraw/zinc/81/73/78/399817378.db2.gz MQSYHLRRXASHOK-UHFFFAOYSA-N 1 0 319.405 2.563 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCC[C@H]2OC(F)F)c1 ZINC000348522307 285582732 /nfs/dbraw/zinc/58/27/32/285582732.db2.gz WQOIFUAPNFDKAR-CHWSQXEVSA-N 1 0 316.304 2.724 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261607533 542951999 /nfs/dbraw/zinc/95/19/99/542951999.db2.gz APIYVRJUKWBLIV-HNNXBMFYSA-N 1 0 319.405 2.851 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424324732 296502389 /nfs/dbraw/zinc/50/23/89/296502389.db2.gz MCOGIMXSQTXTOQ-DOMZBBRYSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301294548 543046005 /nfs/dbraw/zinc/04/60/05/543046005.db2.gz WQMHDBUNPXPQLC-ZDUSSCGKSA-N 1 0 305.378 2.508 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000613301997 399844485 /nfs/dbraw/zinc/84/44/85/399844485.db2.gz PVCGADYUSBMBNO-TZMCWYRMSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1ccc(CC[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000604532195 399853286 /nfs/dbraw/zinc/85/32/86/399853286.db2.gz IQLYFPROKUOBBD-UHFFFAOYSA-N 1 0 318.329 2.600 20 5 DFBDRO [NH3+]CCN(Cc1csc(C2CC2)n1)c1ccccc1[N+](=O)[O-] ZINC000348932702 285724748 /nfs/dbraw/zinc/72/47/48/285724748.db2.gz GGEMHRFIZPLVDG-UHFFFAOYSA-N 1 0 318.402 2.894 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000348961476 285734346 /nfs/dbraw/zinc/73/43/46/285734346.db2.gz FOAANQQRQKCLSR-OAHLLOKOSA-N 1 0 315.373 2.991 20 5 DFBDRO CCC(C)(CC)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353795068 146762119 /nfs/dbraw/zinc/76/21/19/146762119.db2.gz ZIRRWZJXRAEHBU-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000425250065 296561432 /nfs/dbraw/zinc/56/14/32/296561432.db2.gz CJKGHVMWSIBVEN-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO CCOC(=O)c1cc(N(CC)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000425254446 296561664 /nfs/dbraw/zinc/56/16/64/296561664.db2.gz LRGBPCBSIYHAIW-UHFFFAOYSA-N 1 0 323.393 2.550 20 5 DFBDRO C[C@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072713975 145189074 /nfs/dbraw/zinc/18/90/74/145189074.db2.gz WKMLEHUKGYGDAJ-ZDUSSCGKSA-N 1 0 315.373 2.833 20 5 DFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805022 145204967 /nfs/dbraw/zinc/20/49/67/145204967.db2.gz KRJWDSHLINUQPD-HNNXBMFYSA-N 1 0 314.389 2.783 20 5 DFBDRO Cc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000153806057 145215188 /nfs/dbraw/zinc/21/51/88/145215188.db2.gz FSFPZDUFCQWTED-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO CNC(=O)c1cccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000172148392 145292500 /nfs/dbraw/zinc/29/25/00/145292500.db2.gz JHVHUZCLXUPFLA-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 ZINC000173462385 145344470 /nfs/dbraw/zinc/34/44/70/145344470.db2.gz TYWOFOZURILYAD-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174310747 145374725 /nfs/dbraw/zinc/37/47/25/145374725.db2.gz BNQZXGJMZXRDBG-MRXNPFEDSA-N 1 0 321.421 2.780 20 5 DFBDRO C[NH2+]C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000179136807 145543160 /nfs/dbraw/zinc/54/31/60/145543160.db2.gz KSFBNNYRHVRBJU-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO CC(C)(CO)[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000354072110 146892574 /nfs/dbraw/zinc/89/25/74/146892574.db2.gz FDCPGJPNZVHQEH-MRXNPFEDSA-N 1 0 315.373 2.839 20 5 DFBDRO Cc1cc(C(=O)NCC2([NH3+])CCCCCC2)ccc1[N+](=O)[O-] ZINC000237722054 146050993 /nfs/dbraw/zinc/05/09/93/146050993.db2.gz YKMYBGTWPAAPRK-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000246640686 146146939 /nfs/dbraw/zinc/14/69/39/146146939.db2.gz JNDLXLJNXNKYKT-UONOGXRCSA-N 1 0 315.377 2.660 20 5 DFBDRO CCN1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247156548 146164079 /nfs/dbraw/zinc/16/40/79/146164079.db2.gz TXXPECLTBYEBPE-DLBZAZTESA-N 1 0 317.433 2.990 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261919479 146301189 /nfs/dbraw/zinc/30/11/89/146301189.db2.gz HPLCMYYAACMLFL-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000261983984 146315520 /nfs/dbraw/zinc/31/55/20/146315520.db2.gz JLUBUUWYMMVRBL-XHDPSFHLSA-N 1 0 301.346 2.634 20 5 DFBDRO CCCN(c1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[NH2+]C1 ZINC000262023696 146323473 /nfs/dbraw/zinc/32/34/73/146323473.db2.gz YBJDPFLJAOCVPK-CQSZACIVSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@@]1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262117644 146336088 /nfs/dbraw/zinc/33/60/88/146336088.db2.gz KHUBGGPLYBMSPW-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262565573 146373315 /nfs/dbraw/zinc/37/33/15/146373315.db2.gz WOLZSETYSKXYDU-IUCAKERBSA-N 1 0 318.299 2.809 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000354420309 147030324 /nfs/dbraw/zinc/03/03/24/147030324.db2.gz FBXVPASGNZMXIY-KBPBESRZSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000354444986 147038622 /nfs/dbraw/zinc/03/86/22/147038622.db2.gz LKLRQTQBZVZBFG-HNNXBMFYSA-N 1 0 319.405 2.898 20 5 DFBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000355339664 147272668 /nfs/dbraw/zinc/27/26/68/147272668.db2.gz UUJCHRIIODTLDX-UONOGXRCSA-N 1 0 324.425 2.744 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000355539051 147354973 /nfs/dbraw/zinc/35/49/73/147354973.db2.gz WTKGPXUAWYPSMT-AWEZNQCLSA-N 1 0 310.419 2.593 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000355547177 147358664 /nfs/dbraw/zinc/35/86/64/147358664.db2.gz OSAMWDDKXYVLSH-UHFFFAOYSA-N 1 0 317.389 2.539 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000355652943 147398009 /nfs/dbraw/zinc/39/80/09/147398009.db2.gz DPNWBUNGGOQXNX-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595817653 543465513 /nfs/dbraw/zinc/46/55/13/543465513.db2.gz ALHHJAFGAYFTJU-IFQILLTASA-N 1 0 323.368 2.700 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357658039 148073004 /nfs/dbraw/zinc/07/30/04/148073004.db2.gz OKUBXBBKOIHHEN-JQWIXIFHSA-N 1 0 301.346 2.516 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000357675767 148079211 /nfs/dbraw/zinc/07/92/11/148079211.db2.gz POHANTZDZAURBS-ZDUSSCGKSA-N 1 0 322.409 2.514 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000357736893 148101762 /nfs/dbraw/zinc/10/17/62/148101762.db2.gz CMVILNJNMVRSDT-IIAWOOMASA-N 1 0 322.405 2.845 20 5 DFBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927996 148179366 /nfs/dbraw/zinc/17/93/66/148179366.db2.gz JUKUTVIKKRRNSA-ZIAGYGMSSA-N 1 0 324.425 2.707 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214537 148288734 /nfs/dbraw/zinc/28/87/34/148288734.db2.gz VHWGCHVKUMKJBL-CVEARBPZSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@@H](c1c(F)cccc1F)N(C)CCn1ccc([N+](=O)[O-])n1 ZINC000358279690 148316741 /nfs/dbraw/zinc/31/67/41/148316741.db2.gz XLTUJOKVTSSTFB-JTQLQIEISA-N 1 0 310.304 2.763 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000358300245 148320751 /nfs/dbraw/zinc/32/07/51/148320751.db2.gz HXFRXKKNJZLAGD-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000360949464 148983282 /nfs/dbraw/zinc/98/32/82/148983282.db2.gz LKNHKPOLQRHJCR-UHFFFAOYSA-N 1 0 309.414 2.796 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(OC3CCCCC3)CC2)c1 ZINC000350725603 286078296 /nfs/dbraw/zinc/07/82/96/286078296.db2.gz ZEIQOYBFFLIAOE-UHFFFAOYSA-N 1 0 322.409 2.605 20 5 DFBDRO Cc1c(Cc2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265812 149070168 /nfs/dbraw/zinc/07/01/68/149070168.db2.gz PMVIJLSFRJPMSQ-GXFFZTMASA-N 1 0 316.361 2.542 20 5 DFBDRO C[C@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOC1 ZINC000361398298 149105335 /nfs/dbraw/zinc/10/53/35/149105335.db2.gz RXLWVBLXQRUCLC-NVXWUHKLSA-N 1 0 304.390 2.932 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361437946 149116351 /nfs/dbraw/zinc/11/63/51/149116351.db2.gz RUDALKJVNPXYFT-HIFRSBDPSA-N 1 0 320.389 2.926 20 5 DFBDRO Cc1c(C[NH+]2CCC(O[C@H]3CCOC3)CC2)cccc1[N+](=O)[O-] ZINC000361443811 149116841 /nfs/dbraw/zinc/11/68/41/149116841.db2.gz FSGVSSLOVCGGRO-INIZCTEOSA-N 1 0 320.389 2.673 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000361595929 149162167 /nfs/dbraw/zinc/16/21/67/149162167.db2.gz PURDNZWADHXHRD-GHMZBOCLSA-N 1 0 320.315 2.844 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C(F)F)CC2)c1 ZINC000361690065 149193036 /nfs/dbraw/zinc/19/30/36/149193036.db2.gz URNLHUQMMQBPEZ-UHFFFAOYSA-N 1 0 300.305 2.951 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000361968217 149267684 /nfs/dbraw/zinc/26/76/84/149267684.db2.gz ZRJNPBVMMNIHDB-GJZGRUSLSA-N 1 0 305.378 2.646 20 5 DFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362029614 149279496 /nfs/dbraw/zinc/27/94/96/149279496.db2.gz ULHBEQHNRGQFCQ-JSGCOSHPSA-N 1 0 314.769 2.532 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](COCC2CC2)C1 ZINC000362590047 149317171 /nfs/dbraw/zinc/31/71/71/149317171.db2.gz IPHOXVWABXBFDH-CXAGYDPISA-N 1 0 320.389 2.783 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000370579473 149951100 /nfs/dbraw/zinc/95/11/00/149951100.db2.gz KLAKJBRVXKGVFJ-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000371332639 150026158 /nfs/dbraw/zinc/02/61/58/150026158.db2.gz AKFFOMSSJBXRJD-IJIWFQOLSA-N 1 0 302.374 2.986 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000371480707 150054475 /nfs/dbraw/zinc/05/44/75/150054475.db2.gz QEHMRZLUCUGPEN-JSGCOSHPSA-N 1 0 300.362 2.765 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372356271 150167273 /nfs/dbraw/zinc/16/72/73/150167273.db2.gz IGRGYMVKPAYNKZ-IRXDYDNUSA-N 1 0 320.389 2.519 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372873977 150195000 /nfs/dbraw/zinc/19/50/00/150195000.db2.gz UUBICBMEZDRQFA-BOLDSZDNSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000372978775 150211505 /nfs/dbraw/zinc/21/15/05/150211505.db2.gz HMEAHARIWXNMSL-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351619761 286171799 /nfs/dbraw/zinc/17/17/99/286171799.db2.gz LFHRXUMJYPQWSJ-QWRGUYRKSA-N 1 0 324.356 2.680 20 5 DFBDRO COc1ccc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000351627300 286174499 /nfs/dbraw/zinc/17/44/99/286174499.db2.gz GCVASUWEQVPJAP-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632279 286175872 /nfs/dbraw/zinc/17/58/72/286175872.db2.gz WZIRLXULXBGZMV-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000374016522 150293260 /nfs/dbraw/zinc/29/32/60/150293260.db2.gz DMCCKYGDHGCXGT-INIZCTEOSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000374302762 150340648 /nfs/dbraw/zinc/34/06/48/150340648.db2.gz QXWULKACLTZGHP-ZDUSSCGKSA-N 1 0 303.362 2.574 20 5 DFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000374360653 150352064 /nfs/dbraw/zinc/35/20/64/150352064.db2.gz RYDOKSJZAXZNJT-MLGOLLRUSA-N 1 0 306.362 2.534 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374526643 150373333 /nfs/dbraw/zinc/37/33/33/150373333.db2.gz KDTINGJESZSEBL-JGGQBBKZSA-N 1 0 306.362 2.584 20 5 DFBDRO CN(c1ncc([N+](=O)[O-])s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000374535475 150374784 /nfs/dbraw/zinc/37/47/84/150374784.db2.gz GOLCRZIWPUNQSE-UHFFFAOYSA-N 1 0 319.390 2.552 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000375304440 150426257 /nfs/dbraw/zinc/42/62/57/150426257.db2.gz SUOHHDLXNXDAIP-FABXCBLPSA-N 1 0 317.389 2.611 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000376107793 150531940 /nfs/dbraw/zinc/53/19/40/150531940.db2.gz XNFBPYXISVAYBK-OLZOCXBDSA-N 1 0 303.362 2.836 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378404823 150804476 /nfs/dbraw/zinc/80/44/76/150804476.db2.gz PWNPYOXHMAPEDG-OYNZBZHQSA-N 1 0 317.389 2.645 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000351937096 286249793 /nfs/dbraw/zinc/24/97/93/286249793.db2.gz RYGXIIHXWZSVDG-UONOGXRCSA-N 1 0 321.421 2.906 20 5 DFBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000293742049 292246896 /nfs/dbraw/zinc/24/68/96/292246896.db2.gz QTJLWNOYPNQVBC-ZDUSSCGKSA-N 1 0 308.378 2.689 20 5 DFBDRO COc1cc(CN2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351976361 286258666 /nfs/dbraw/zinc/25/86/66/286258666.db2.gz AHMMVPRRZPZIRQ-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)CC1CC1 ZINC000352457733 286379060 /nfs/dbraw/zinc/37/90/60/286379060.db2.gz FBCBZRDLJVOSFD-UHFFFAOYSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291387228 292295001 /nfs/dbraw/zinc/29/50/01/292295001.db2.gz BCTMFHCVVYHFRE-VXGBXAGGSA-N 1 0 314.332 2.914 20 5 DFBDRO CC[NH+](CC)CCCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352709263 286447667 /nfs/dbraw/zinc/44/76/67/286447667.db2.gz ZRRWVIWBQSOWIA-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000352882472 286493019 /nfs/dbraw/zinc/49/30/19/286493019.db2.gz JHPJYOWVDAVAHK-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353135926 286559787 /nfs/dbraw/zinc/55/97/87/286559787.db2.gz KCHXKLQHBKTUCA-NHYWBVRUSA-N 1 0 300.362 2.883 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)F ZINC000429456424 296745727 /nfs/dbraw/zinc/74/57/27/296745727.db2.gz TYEHXFUDOPMEIG-JQWIXIFHSA-N 1 0 302.321 2.522 20 5 DFBDRO CC[C@@H]([NH2+]CCCNC(=O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181755628 157996604 /nfs/dbraw/zinc/99/66/04/157996604.db2.gz DSDHECPSSPTIHY-OAHLLOKOSA-N 1 0 307.394 2.798 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000184739812 158036903 /nfs/dbraw/zinc/03/69/03/158036903.db2.gz WQRDGRWZLHTBQJ-DBWMJRBXSA-N 1 0 303.406 2.880 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247672789 158147699 /nfs/dbraw/zinc/14/76/99/158147699.db2.gz RANWCFNHQSRJHY-XJKSGUPXSA-N 1 0 300.362 2.874 20 5 DFBDRO CC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000247868202 158151041 /nfs/dbraw/zinc/15/10/41/158151041.db2.gz XDAVEIUUWRHRDE-GDBMZVCRSA-N 1 0 321.421 2.698 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)c1 ZINC000247922611 158151873 /nfs/dbraw/zinc/15/18/73/158151873.db2.gz BIVXLHGUCWPBIK-YOEHRIQHSA-N 1 0 320.389 2.601 20 5 DFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248066407 158159787 /nfs/dbraw/zinc/15/97/87/158159787.db2.gz ZOUGJTQJCVXBEO-RHSMWYFYSA-N 1 0 321.421 2.602 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000355133395 158282096 /nfs/dbraw/zinc/28/20/96/158282096.db2.gz LVXCHZGFCNTZRV-XJKSGUPXSA-N 1 0 320.389 2.994 20 5 DFBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355162010 158288435 /nfs/dbraw/zinc/28/84/35/158288435.db2.gz KPKJQFGYMUQBRT-DGCLKSJQSA-N 1 0 318.377 2.766 20 5 DFBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356750338 158312382 /nfs/dbraw/zinc/31/23/82/158312382.db2.gz YWEMOCFBXLTQEL-JTQLQIEISA-N 1 0 315.320 2.727 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000357024415 158350794 /nfs/dbraw/zinc/35/07/94/158350794.db2.gz NDKPPXAHEHSAGL-KBPBESRZSA-N 1 0 321.421 2.906 20 5 DFBDRO O=[N+]([O-])c1ccc(CNc2nc(C(F)(F)F)c[nH]2)c(F)c1 ZINC000357704204 158365372 /nfs/dbraw/zinc/36/53/72/158365372.db2.gz MGLXQSMAKOYKJJ-UHFFFAOYSA-N 1 0 304.203 2.510 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000368316284 158629751 /nfs/dbraw/zinc/62/97/51/158629751.db2.gz OZJQNTVICWQSQX-MRXNPFEDSA-N 1 0 321.446 2.526 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@](C)(C[NH3+])C(C)C ZINC000430585407 296797984 /nfs/dbraw/zinc/79/79/84/296797984.db2.gz SGLSMCOPVWLWQN-INIZCTEOSA-N 1 0 309.410 2.845 20 5 DFBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000130636276 196097836 /nfs/dbraw/zinc/09/78/36/196097836.db2.gz BRVXEZPJYHYSLC-NSHDSACASA-N 1 0 320.345 2.676 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(Cl)c1 ZINC000130989677 196129244 /nfs/dbraw/zinc/12/92/44/196129244.db2.gz RJEKERDAKAIQBW-VIFPVBQESA-N 1 0 312.732 2.935 20 5 DFBDRO COc1cc(C[NH2+]C2CC2)c([N+](=O)[O-])cc1OCC(F)(F)F ZINC000131297275 196158525 /nfs/dbraw/zinc/15/85/25/196158525.db2.gz QBXKDKHFKQCQFT-UHFFFAOYSA-N 1 0 320.267 2.797 20 5 DFBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000132085172 196225024 /nfs/dbraw/zinc/22/50/24/196225024.db2.gz ZKJGAUZKEFBADT-YGRLFVJLSA-N 1 0 319.386 2.985 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132608056 196269815 /nfs/dbraw/zinc/26/98/15/196269815.db2.gz AQWCDMCYGVBSDI-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO CCN1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000133000316 196303654 /nfs/dbraw/zinc/30/36/54/196303654.db2.gz TXXPECLTBYEBPE-IRXDYDNUSA-N 1 0 317.433 2.990 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150851422 196594433 /nfs/dbraw/zinc/59/44/33/196594433.db2.gz KGNWQMWOTZUNJT-LBPRGKRZSA-N 1 0 323.418 2.747 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000296586513 226020532 /nfs/dbraw/zinc/02/05/32/226020532.db2.gz NDBMHDSKKSSTKJ-UHFFFAOYSA-N 1 0 320.393 2.982 20 5 DFBDRO Cc1cc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000298160737 228388313 /nfs/dbraw/zinc/38/83/13/228388313.db2.gz UTJSXPMDTSOIOL-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1CCCCCC1 ZINC000299637363 229287952 /nfs/dbraw/zinc/28/79/52/229287952.db2.gz MPAXEQPWWJUQGH-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])c1ccccc1 ZINC000302021523 230040415 /nfs/dbraw/zinc/04/04/15/230040415.db2.gz FOLMMAJCAQKZPG-QGZVFWFLSA-N 1 0 315.373 2.802 20 5 DFBDRO Cc1cc(N(C)Cc2nccn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159668 230132000 /nfs/dbraw/zinc/13/20/00/230132000.db2.gz JKVJBYTWFDGMJM-UHFFFAOYSA-N 1 0 311.345 2.821 20 5 DFBDRO Cc1cccc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000302508301 230274611 /nfs/dbraw/zinc/27/46/11/230274611.db2.gz RJKLNGADSRMPJM-INIZCTEOSA-N 1 0 320.437 2.587 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000063308482 425900705 /nfs/dbraw/zinc/90/07/05/425900705.db2.gz ZCEKPKABZUTWDY-CYBMUJFWSA-N 1 0 317.389 2.606 20 5 DFBDRO Cc1ncsc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000066563739 425905137 /nfs/dbraw/zinc/90/51/37/425905137.db2.gz PFEDDTFPAGNVPB-UHFFFAOYSA-N 1 0 307.375 2.871 20 5 DFBDRO COCCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000066379578 425903869 /nfs/dbraw/zinc/90/38/69/425903869.db2.gz ARTSMOSBHORLIR-NSHDSACASA-N 1 0 320.349 2.674 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000067139479 425908864 /nfs/dbraw/zinc/90/88/64/425908864.db2.gz IIVPCBYDARNBNV-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000067679548 425912280 /nfs/dbraw/zinc/91/22/80/425912280.db2.gz PPRQDWOSLYJBIU-UHFFFAOYSA-N 1 0 317.345 2.570 20 5 DFBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000068474697 425918298 /nfs/dbraw/zinc/91/82/98/425918298.db2.gz LCRNSXCDRQOKEF-CYBMUJFWSA-N 1 0 308.378 2.863 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000124470612 425920630 /nfs/dbraw/zinc/92/06/30/425920630.db2.gz FKGZZPGAYOMWAI-AWEZNQCLSA-N 1 0 319.405 2.693 20 5 DFBDRO CCN(CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000155823312 425927787 /nfs/dbraw/zinc/92/77/87/425927787.db2.gz WNESBYFCLKQXCN-QGZVFWFLSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000007811852 425653181 /nfs/dbraw/zinc/65/31/81/425653181.db2.gz VMMKOLCYTJEOMQ-RYUDHWBXSA-N 1 0 305.378 2.820 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000189031216 267923371 /nfs/dbraw/zinc/92/33/71/267923371.db2.gz QUQAQVNBNOMTHR-UHFFFAOYSA-N 1 0 319.405 2.934 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000029725911 425827863 /nfs/dbraw/zinc/82/78/63/425827863.db2.gz VUJJJZVFKDZXAK-BLLLJJGKSA-N 1 0 320.389 2.597 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])cnc1C ZINC000042537430 425853706 /nfs/dbraw/zinc/85/37/06/425853706.db2.gz GROCSYNAZYLNIX-LBPRGKRZSA-N 1 0 322.409 2.539 20 5 DFBDRO CC(C)COC[C@@H](O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192722834 268046970 /nfs/dbraw/zinc/04/69/70/268046970.db2.gz GZFGYNBUUQIYIM-RDJZCZTQSA-N 1 0 322.405 2.595 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192909460 268053069 /nfs/dbraw/zinc/05/30/69/268053069.db2.gz YBFMBLAJHYUVLD-GFCCVEGCSA-N 1 0 322.409 2.616 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194313356 268097587 /nfs/dbraw/zinc/09/75/87/268097587.db2.gz FULCIWMIDJIDET-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000194509799 268105667 /nfs/dbraw/zinc/10/56/67/268105667.db2.gz DNWUAGJMJOPZGA-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000195625020 268136810 /nfs/dbraw/zinc/13/68/10/268136810.db2.gz STRKNMUFGUSNRV-MJBXVCDLSA-N 1 0 319.405 2.691 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277585465 268265735 /nfs/dbraw/zinc/26/57/35/268265735.db2.gz RVWMGLMEBXVETL-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296259425 268300618 /nfs/dbraw/zinc/30/06/18/268300618.db2.gz DEPHTCDEKOPFPM-GFCCVEGCSA-N 1 0 300.362 2.774 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000296260962 268301487 /nfs/dbraw/zinc/30/14/87/268301487.db2.gz YHMKBMKEYDRVEK-HNNXBMFYSA-N 1 0 308.378 2.850 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000301940476 268323499 /nfs/dbraw/zinc/32/34/99/268323499.db2.gz UIBCCYRLWXFWOT-GFCCVEGCSA-N 1 0 323.393 2.898 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@]1(C)C[NH3+] ZINC000319310318 268346303 /nfs/dbraw/zinc/34/63/03/268346303.db2.gz JRJSPNGAEYQPKC-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000049558514 425879738 /nfs/dbraw/zinc/87/97/38/425879738.db2.gz DIOHANWOFIEJMK-MRVPVSSYSA-N 1 0 317.187 2.504 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000050999231 425882272 /nfs/dbraw/zinc/88/22/72/425882272.db2.gz ITSIMHYOYYPWHN-DZGCQCFKSA-N 1 0 319.405 2.894 20 5 DFBDRO CC[C@H]1c2ccsc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157676163 425939513 /nfs/dbraw/zinc/93/95/13/425939513.db2.gz JLWPOIKISSYZTQ-ZDUSSCGKSA-N 1 0 306.391 2.862 20 5 DFBDRO C[C@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000125004727 425950065 /nfs/dbraw/zinc/95/00/65/425950065.db2.gz SAHGNJXHTFQYRA-VIFPVBQESA-N 1 0 310.737 2.979 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000125348195 425967640 /nfs/dbraw/zinc/96/76/40/425967640.db2.gz JWYLIYNVDYSWTH-ZDUSSCGKSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000125440629 425971444 /nfs/dbraw/zinc/97/14/44/425971444.db2.gz MMELFLXMHSJXQN-STQMWFEESA-N 1 0 305.378 2.962 20 5 DFBDRO CCC1CC[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000109131085 426029320 /nfs/dbraw/zinc/02/93/20/426029320.db2.gz GWKMBGAZNYPUHN-INIZCTEOSA-N 1 0 317.389 2.822 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC1CCC1 ZINC000111296577 426044155 /nfs/dbraw/zinc/04/41/55/426044155.db2.gz PTKBLYADTLTZIR-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC000111297983 426044545 /nfs/dbraw/zinc/04/45/45/426044545.db2.gz DKRCGLPAHVVNEL-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000111298169 426045936 /nfs/dbraw/zinc/04/59/36/426045936.db2.gz NTNDDZKAYLVOLM-UHFFFAOYSA-N 1 0 311.769 2.919 20 5 DFBDRO C[N@@H+](CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000111299016 426046176 /nfs/dbraw/zinc/04/61/76/426046176.db2.gz SFPSNSNAIMULLO-UHFFFAOYSA-N 1 0 311.769 2.919 20 5 DFBDRO CC[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127109225 426051599 /nfs/dbraw/zinc/05/15/99/426051599.db2.gz QWFUGKIFDKQHGW-CYBMUJFWSA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000162187057 426055984 /nfs/dbraw/zinc/05/59/84/426055984.db2.gz COECDBTUZFGOLX-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127389104 426064546 /nfs/dbraw/zinc/06/45/46/426064546.db2.gz AWUMJIBMPVCMCH-AWEZNQCLSA-N 1 0 313.785 2.742 20 5 DFBDRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000163099341 426090050 /nfs/dbraw/zinc/09/00/50/426090050.db2.gz HOUVZQJECLIOCW-MRRJBJDNSA-N 1 0 319.405 2.561 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000163219335 426093260 /nfs/dbraw/zinc/09/32/60/426093260.db2.gz SFOWWWSBVXPQOM-GXTWGEPZSA-N 1 0 318.377 2.604 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076059536 426095878 /nfs/dbraw/zinc/09/58/78/426095878.db2.gz SGGZVXWXWPCHHQ-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000114483432 426138092 /nfs/dbraw/zinc/13/80/92/426138092.db2.gz FRMCMHXEUXFVME-INIZCTEOSA-N 1 0 316.361 2.924 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CC1 ZINC000112983266 426100725 /nfs/dbraw/zinc/10/07/25/426100725.db2.gz QQSQBIKJNUHAJO-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000114483430 426138210 /nfs/dbraw/zinc/13/82/10/426138210.db2.gz FRMCMHXEUXFVME-MRXNPFEDSA-N 1 0 316.361 2.924 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000113198291 426105560 /nfs/dbraw/zinc/10/55/60/426105560.db2.gz UUIUQONTZPTDEL-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000128504068 426120777 /nfs/dbraw/zinc/12/07/77/426120777.db2.gz KGODEPJIJQBMBX-RYUDHWBXSA-N 1 0 323.418 2.529 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)[C@H](C)CC ZINC000112379319 426075497 /nfs/dbraw/zinc/07/54/97/426075497.db2.gz QGVAGMBEPLCABV-MLGOLLRUSA-N 1 0 310.394 2.880 20 5 DFBDRO COCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000116886740 426200617 /nfs/dbraw/zinc/20/06/17/426200617.db2.gz VCZAEXXOYFZVMD-UHFFFAOYSA-N 1 0 308.378 2.531 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C(F)F ZINC000338227077 268643600 /nfs/dbraw/zinc/64/36/00/268643600.db2.gz WXFWFLKNNADXKD-VHRBIJSZSA-N 1 0 314.332 2.522 20 5 DFBDRO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000114724127 426143548 /nfs/dbraw/zinc/14/35/48/426143548.db2.gz HALXLARHMPXRRI-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000170858363 426155164 /nfs/dbraw/zinc/15/51/64/426155164.db2.gz HMSUDMQLCNKGJP-GFCCVEGCSA-N 1 0 319.386 2.586 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCO[C@H](C)C1 ZINC000170917181 426159207 /nfs/dbraw/zinc/15/92/07/426159207.db2.gz WBHKHTWOTFPWOI-CYBMUJFWSA-N 1 0 308.378 2.993 20 5 DFBDRO CN(C)C(=O)C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000171049043 426166419 /nfs/dbraw/zinc/16/64/19/426166419.db2.gz MSAIJUDSYBDCOL-UHFFFAOYSA-N 1 0 319.386 2.501 20 5 DFBDRO C[N@H+](CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000078510180 426172269 /nfs/dbraw/zinc/17/22/69/426172269.db2.gz QIMMWIVSPCVCJC-DHZHZOJOSA-N 1 0 317.389 2.599 20 5 DFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@](C)(O)c1ccccc1 ZINC000171226906 426177637 /nfs/dbraw/zinc/17/76/37/426177637.db2.gz CUZBECJGTMWUGX-QGZVFWFLSA-N 1 0 300.358 2.934 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000133735665 426184138 /nfs/dbraw/zinc/18/41/38/426184138.db2.gz XIHAMQMIYDLCMQ-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171375647 426187222 /nfs/dbraw/zinc/18/72/22/426187222.db2.gz HPTMMHSRPMPXTA-JSGCOSHPSA-N 1 0 306.362 2.741 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000079000744 426188130 /nfs/dbraw/zinc/18/81/30/426188130.db2.gz ZVADKAQUUFLCAZ-NSHDSACASA-N 1 0 314.345 2.936 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000135582161 426223802 /nfs/dbraw/zinc/22/38/02/426223802.db2.gz PPRXRCREZJKVSN-OAHLLOKOSA-N 1 0 300.362 2.838 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439865 426237605 /nfs/dbraw/zinc/23/76/05/426237605.db2.gz RMGPCZWXYQGGIL-SNVBAGLBSA-N 1 0 313.785 2.643 20 5 DFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000174364898 426254717 /nfs/dbraw/zinc/25/47/17/426254717.db2.gz NSVRANCCAWBBEI-LLVKDONJSA-N 1 0 308.382 2.693 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000142108664 426257484 /nfs/dbraw/zinc/25/74/84/426257484.db2.gz SBYDAMJCZCIYPQ-SRVKXCTJSA-N 1 0 323.393 2.955 20 5 DFBDRO Cc1nn(C)c(NC[C@@H]2CCCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000119073353 426260481 /nfs/dbraw/zinc/26/04/81/426260481.db2.gz UGDJAPUBJZHTSE-ZDUSSCGKSA-N 1 0 309.414 2.559 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000174637684 426261003 /nfs/dbraw/zinc/26/10/03/426261003.db2.gz NCCRIQDNPWDXTN-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779769 426261550 /nfs/dbraw/zinc/26/15/50/426261550.db2.gz TVXXDJUVXVRXFN-CQSZACIVSA-N 1 0 319.405 2.521 20 5 DFBDRO COc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000150771731 426261684 /nfs/dbraw/zinc/26/16/84/426261684.db2.gz JYUQFXAVHFEMAR-OAHLLOKOSA-N 1 0 319.405 2.521 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087103150 426264746 /nfs/dbraw/zinc/26/47/46/426264746.db2.gz PTEAVODWPRVOMT-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000119202515 426268895 /nfs/dbraw/zinc/26/88/95/426268895.db2.gz ATMFDRRGRQIVPF-JKSUJKDBSA-N 1 0 300.362 2.717 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087343216 426271068 /nfs/dbraw/zinc/27/10/68/426271068.db2.gz DIPPPPPUKCWYDC-INIZCTEOSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000174997861 426273473 /nfs/dbraw/zinc/27/34/73/426273473.db2.gz CTGGYWDODNBCKZ-HUUCEWRRSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732022 426323737 /nfs/dbraw/zinc/32/37/37/426323737.db2.gz BONXCMPVWRVVLF-HIFRSBDPSA-N 1 0 321.421 2.766 20 5 DFBDRO Cc1sc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175798294 426329784 /nfs/dbraw/zinc/32/97/84/426329784.db2.gz DFARRLWBEABSGT-JTQLQIEISA-N 1 0 313.423 2.671 20 5 DFBDRO Cc1c(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1C ZINC000090887794 426332938 /nfs/dbraw/zinc/33/29/38/426332938.db2.gz LAZXZPPWHBPJMT-INIZCTEOSA-N 1 0 314.389 2.748 20 5 DFBDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000175856452 426334971 /nfs/dbraw/zinc/33/49/71/426334971.db2.gz KDQWEURNPCFPCS-MRXNPFEDSA-N 1 0 310.394 2.595 20 5 DFBDRO CCC[N@H+](CC)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000175162871 426283978 /nfs/dbraw/zinc/28/39/78/426283978.db2.gz FNBFDNPBCZBJKG-UHFFFAOYSA-N 1 0 320.393 2.623 20 5 DFBDRO Cc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157078 426401499 /nfs/dbraw/zinc/40/14/99/426401499.db2.gz YPLRDGJDFNIVFY-QGZVFWFLSA-N 1 0 303.406 2.821 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152940862 426362515 /nfs/dbraw/zinc/36/25/15/426362515.db2.gz VBBHOHGAVCYNIB-MCIONIFRSA-N 1 0 317.389 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153042492 426368666 /nfs/dbraw/zinc/36/86/66/426368666.db2.gz UXCKISWTQLZYSI-CHWSQXEVSA-N 1 0 303.362 2.574 20 5 DFBDRO CCOc1ccc(NC(=O)CN2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000123274704 426423831 /nfs/dbraw/zinc/42/38/31/426423831.db2.gz HMPKWJHFVBNHMB-TXEJJXNPSA-N 1 0 321.377 2.805 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123299222 426425052 /nfs/dbraw/zinc/42/50/52/426425052.db2.gz DIDZDWUJYSNJDN-JSGCOSHPSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123350063 426428308 /nfs/dbraw/zinc/42/83/08/426428308.db2.gz BEPIJYQIZMEMLF-RYUDHWBXSA-N 1 0 321.377 2.805 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177032983 426436588 /nfs/dbraw/zinc/43/65/88/426436588.db2.gz MCVMYBNYAREJNN-KOLCDFICSA-N 1 0 323.780 2.603 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000154542724 426444645 /nfs/dbraw/zinc/44/46/45/426444645.db2.gz WKYWHUZRTMQWJF-CVEARBPZSA-N 1 0 316.361 2.579 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CCC[NH+]1CCCC1 ZINC000340869145 269024939 /nfs/dbraw/zinc/02/49/39/269024939.db2.gz COBYYKHUWYOWBP-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000341264714 269055607 /nfs/dbraw/zinc/05/56/07/269055607.db2.gz PXYYESMDYRZMDR-SWLSCSKDSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1nc(N2CCC([N@H+]3CCC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154922156 426459467 /nfs/dbraw/zinc/45/94/67/426459467.db2.gz GDGQBGGPXCOPTM-GFCCVEGCSA-N 1 0 304.394 2.751 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000097257904 426461881 /nfs/dbraw/zinc/46/18/81/426461881.db2.gz BGRSEROBIHBCAL-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000177307449 426466551 /nfs/dbraw/zinc/46/65/51/426466551.db2.gz AXMWLOZQOYECET-UHFFFAOYSA-N 1 0 303.318 2.810 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000177464271 426481895 /nfs/dbraw/zinc/48/18/95/426481895.db2.gz XCZYNUZLRDCYCR-UWLACMPISA-N 1 0 317.389 2.597 20 5 DFBDRO NC(=O)CN(CCC1CCCCC1)Cc1cccc([N+](=O)[O-])c1 ZINC000101567656 426484941 /nfs/dbraw/zinc/48/49/41/426484941.db2.gz CBCKHDWUJIPOMF-UHFFFAOYSA-N 1 0 319.405 2.853 20 5 DFBDRO CCC(=O)c1ccc(N2CCC[C@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280149419 426506512 /nfs/dbraw/zinc/50/65/12/426506512.db2.gz AZFNTOIXMNLAPJ-ZDUSSCGKSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CCSC1 ZINC000280159877 426509211 /nfs/dbraw/zinc/50/92/11/426509211.db2.gz SFWSOMSRFUKXJN-RYUDHWBXSA-N 1 0 323.418 2.655 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177772404 426518026 /nfs/dbraw/zinc/51/80/26/426518026.db2.gz VAAYMMHDPCGQOU-CQSZACIVSA-N 1 0 309.797 2.918 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000288763054 426528633 /nfs/dbraw/zinc/52/86/33/426528633.db2.gz OKSPKLLDBUOYRA-CZUORRHYSA-N 1 0 319.405 2.720 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000186444868 426528777 /nfs/dbraw/zinc/52/87/77/426528777.db2.gz KVMBNIUYSACOIN-UKRRQHHQSA-N 1 0 321.377 2.866 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000186444886 426529332 /nfs/dbraw/zinc/52/93/32/426529332.db2.gz KVMBNIUYSACOIN-ZFWWWQNUSA-N 1 0 321.377 2.866 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000186457401 426531533 /nfs/dbraw/zinc/53/15/33/426531533.db2.gz QEZFXSQZVFAURO-STQMWFEESA-N 1 0 321.377 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCOCC3)C2)cc1 ZINC000186488191 426537709 /nfs/dbraw/zinc/53/77/09/426537709.db2.gz WKTRNKSSYOAQSM-UHFFFAOYSA-N 1 0 308.403 2.693 20 5 DFBDRO CO[C@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280288046 426542042 /nfs/dbraw/zinc/54/20/42/426542042.db2.gz DYGMWMNYBABISV-JKSUJKDBSA-N 1 0 308.378 2.519 20 5 DFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000288854717 426542812 /nfs/dbraw/zinc/54/28/12/426542812.db2.gz PLOXBUKKFYFBHF-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280299483 426543601 /nfs/dbraw/zinc/54/36/01/426543601.db2.gz FSFITURNNMIZOH-IOASZLSFSA-N 1 0 306.362 2.536 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCOCC2 ZINC000186295459 426501516 /nfs/dbraw/zinc/50/15/16/426501516.db2.gz LPAVMKMIRVIAIV-HOTGVXAUSA-N 1 0 320.389 2.659 20 5 DFBDRO Cc1cc(N2CC[C@@H]([C@@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272808336 426572488 /nfs/dbraw/zinc/57/24/88/426572488.db2.gz GHXQKRWLRFJWEX-VXGBXAGGSA-N 1 0 301.346 2.659 20 5 DFBDRO CC(C)[C@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178114787 426574429 /nfs/dbraw/zinc/57/44/29/426574429.db2.gz YFUWZZVNYVOFOH-NVXWUHKLSA-N 1 0 306.406 2.913 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CCOC(C)C)CC2)n1 ZINC000178244684 426592548 /nfs/dbraw/zinc/59/25/48/426592548.db2.gz OMMXHVVISFIWDR-UHFFFAOYSA-N 1 0 322.409 2.600 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CCC1)[C@H](C)CO ZINC000280520753 426593230 /nfs/dbraw/zinc/59/32/30/426593230.db2.gz OERFSCWLDKRYLF-GFCCVEGCSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112707 426594770 /nfs/dbraw/zinc/59/47/70/426594770.db2.gz GNNRJFGUIVGIKP-BFHYXJOUSA-N 1 0 308.378 2.597 20 5 DFBDRO CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000186598349 426562050 /nfs/dbraw/zinc/56/20/50/426562050.db2.gz ASZCHIGAPHXIEH-DOTOQJQBSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@H](O)c1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289351276 426633701 /nfs/dbraw/zinc/63/37/01/426633701.db2.gz JFEXVHSUIVBUDG-NSHDSACASA-N 1 0 321.402 2.779 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000265774679 426686286 /nfs/dbraw/zinc/68/62/86/426686286.db2.gz NBCSUPPYXNQEAL-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1Nc1ccc(CC[NH+](C)C)cc1 ZINC000280718073 426641019 /nfs/dbraw/zinc/64/10/19/426641019.db2.gz LYRITOZFOQNUNM-UHFFFAOYSA-N 1 0 317.393 2.967 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000230420936 426649408 /nfs/dbraw/zinc/64/94/08/426649408.db2.gz GFIDOSFASWRSCJ-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO CCCC[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273376625 426654149 /nfs/dbraw/zinc/65/41/49/426654149.db2.gz BNMXLYNEHKBNEI-GFCCVEGCSA-N 1 0 314.407 2.537 20 5 DFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000273374874 426654362 /nfs/dbraw/zinc/65/43/62/426654362.db2.gz HLWZWXZMFNABHO-JTQLQIEISA-N 1 0 322.340 2.506 20 5 DFBDRO Cn1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000187382983 426655510 /nfs/dbraw/zinc/65/55/10/426655510.db2.gz ULXAPYPJBOXDJG-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO CC[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178600322 426661987 /nfs/dbraw/zinc/66/19/87/426661987.db2.gz FMHWUWYEXOZNRM-MRXNPFEDSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CCC2)o1 ZINC000178640257 426669523 /nfs/dbraw/zinc/66/95/23/426669523.db2.gz KIXVJCGOAYTTNB-UHFFFAOYSA-N 1 0 302.330 2.859 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273484195 426672947 /nfs/dbraw/zinc/67/29/47/426672947.db2.gz RCWMZPIMIUJXEU-LLVKDONJSA-N 1 0 324.356 2.539 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178683277 426674801 /nfs/dbraw/zinc/67/48/01/426674801.db2.gz IDACYNIDUHZFIF-STQMWFEESA-N 1 0 307.394 2.715 20 5 DFBDRO CCC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000280646591 426625177 /nfs/dbraw/zinc/62/51/77/426625177.db2.gz DZJLCEBFJMQSKY-GXTWGEPZSA-N 1 0 319.405 2.964 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1(C)C ZINC000273653590 426703317 /nfs/dbraw/zinc/70/33/17/426703317.db2.gz HBEUXGGGNJDXQQ-NSHDSACASA-N 1 0 305.378 2.562 20 5 DFBDRO O=[N+]([O-])c1cnc(NCc2cccc(C[NH+]3CCCC3)c2)nc1 ZINC000273665814 426705839 /nfs/dbraw/zinc/70/58/39/426705839.db2.gz WXCYKWFAJVKBKA-UHFFFAOYSA-N 1 0 313.361 2.593 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000265974008 426719205 /nfs/dbraw/zinc/71/92/05/426719205.db2.gz AITPMRMIRDUNFB-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CS[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274150819 426719581 /nfs/dbraw/zinc/71/95/81/426719581.db2.gz YFSYLUFAZPBRJO-HOTGVXAUSA-N 1 0 321.446 2.606 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000281513124 426722126 /nfs/dbraw/zinc/72/21/26/426722126.db2.gz PSKUEKRQAUEZSJ-MLGOLLRUSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000274520334 426784227 /nfs/dbraw/zinc/78/42/27/426784227.db2.gz SBCHRSWOABVHCZ-OAHLLOKOSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000266662695 426759105 /nfs/dbraw/zinc/75/91/05/426759105.db2.gz MIXNBDQLJWXINM-OAHLLOKOSA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000266935212 426798801 /nfs/dbraw/zinc/79/88/01/426798801.db2.gz UOZFAHTXYCONOE-UHFFFAOYSA-N 1 0 321.421 2.721 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000290598758 426801082 /nfs/dbraw/zinc/80/10/82/426801082.db2.gz MYCNZAAPQRLLFA-CYBMUJFWSA-N 1 0 321.421 2.682 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188929950 426803292 /nfs/dbraw/zinc/80/32/92/426803292.db2.gz WHVCGIULGQINQM-CQSZACIVSA-N 1 0 319.405 2.932 20 5 DFBDRO Cc1ccccc1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266949650 426803330 /nfs/dbraw/zinc/80/33/30/426803330.db2.gz ZHEPPKHQTMZAET-AWEZNQCLSA-N 1 0 300.362 2.589 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000188977436 426805139 /nfs/dbraw/zinc/80/51/39/426805139.db2.gz BYPRFSVGHALBBZ-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290662558 426815154 /nfs/dbraw/zinc/81/51/54/426815154.db2.gz JUECHIGZLVILED-CYBMUJFWSA-N 1 0 322.409 2.514 20 5 DFBDRO Cc1ccc(C)n1C1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000267058286 426817970 /nfs/dbraw/zinc/81/79/70/426817970.db2.gz IDKHAGJZFWHJCA-UHFFFAOYSA-N 1 0 317.393 2.547 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267116418 426827604 /nfs/dbraw/zinc/82/76/04/426827604.db2.gz ZAGIPRKLPFQDJI-ZDUSSCGKSA-N 1 0 309.385 2.898 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H](O)c1cccc(F)c1 ZINC000267142923 426830669 /nfs/dbraw/zinc/83/06/69/426830669.db2.gz AISQADYMXDBUKS-BZNIZROVSA-N 1 0 304.321 2.946 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000179992965 426831984 /nfs/dbraw/zinc/83/19/84/426831984.db2.gz DIHZCCRRZMWSTA-QMMMGPOBSA-N 1 0 305.363 2.711 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000246506077 426840401 /nfs/dbraw/zinc/84/04/01/426840401.db2.gz BMISHEPNXPKCRO-KGLIPLIRSA-N 1 0 319.405 2.926 20 5 DFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282169873 426844920 /nfs/dbraw/zinc/84/49/20/426844920.db2.gz MEQIDUBICUJCIL-UONOGXRCSA-N 1 0 308.378 2.898 20 5 DFBDRO CCC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000282205162 426852987 /nfs/dbraw/zinc/85/29/87/426852987.db2.gz HARCUGJNZLYSHP-SZNDQCEHSA-N 1 0 310.419 2.937 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000267249627 426853791 /nfs/dbraw/zinc/85/37/91/426853791.db2.gz ZGCPJMYPXSHPFU-BDJLRTHQSA-N 1 0 304.321 2.946 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000189429145 426854192 /nfs/dbraw/zinc/85/41/92/426854192.db2.gz JPIRRVJXBJXGEJ-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO COCCn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000281929073 426795631 /nfs/dbraw/zinc/79/56/31/426795631.db2.gz AXIKNAUDEPODHW-CYBMUJFWSA-N 1 0 318.377 2.597 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290565492 426795983 /nfs/dbraw/zinc/79/59/83/426795983.db2.gz ARQKSSAJQPGAOU-CYBMUJFWSA-N 1 0 322.409 2.514 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000291564781 426917181 /nfs/dbraw/zinc/91/71/81/426917181.db2.gz OIJINWHDYCGLMI-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290901581 426864672 /nfs/dbraw/zinc/86/46/72/426864672.db2.gz VEMHHZGDIUNZPH-CHWSQXEVSA-N 1 0 322.409 2.684 20 5 DFBDRO C[C@H](C1CCCCC1)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000282323976 426881701 /nfs/dbraw/zinc/88/17/01/426881701.db2.gz AFVIRNMKAMPDSP-CYBMUJFWSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275809763 426925411 /nfs/dbraw/zinc/92/54/11/426925411.db2.gz UCMGYDCMTDJBFB-KRWDZBQOSA-N 1 0 317.389 2.570 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282352759 426890482 /nfs/dbraw/zinc/89/04/82/426890482.db2.gz PJXJJVOWRONZSM-CQDKDKBSSA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000295288908 426893315 /nfs/dbraw/zinc/89/33/15/426893315.db2.gz IHRZKWWSPBKTGY-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1OCCO)c1ccc([N+](=O)[O-])cc1 ZINC000305196725 426895239 /nfs/dbraw/zinc/89/52/39/426895239.db2.gz ZLXZIOXOJYRDDF-ZDUSSCGKSA-N 1 0 316.357 2.817 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000247101496 426905322 /nfs/dbraw/zinc/90/53/22/426905322.db2.gz IEZNIBKTKMOKHA-ZIAGYGMSSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247543875 426950495 /nfs/dbraw/zinc/95/04/95/426950495.db2.gz RGLQYIKDZKXXSJ-GXTWGEPZSA-N 1 0 300.362 2.879 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104883 426954107 /nfs/dbraw/zinc/95/41/07/426954107.db2.gz MAZNUJGLFNVUTR-UONOGXRCSA-N 1 0 307.369 2.793 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181545804 426961319 /nfs/dbraw/zinc/96/13/19/426961319.db2.gz DLVJNFAYACFMQL-WFASDCNBSA-N 1 0 307.394 2.796 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1[NH+](C)C ZINC000268289941 426978103 /nfs/dbraw/zinc/97/81/03/426978103.db2.gz YKQKWUUGQVVKOA-JOYOIKCWSA-N 1 0 315.320 2.583 20 5 DFBDRO Cc1cc(N(CC[NH+](C)C)Cc2cccs2)ncc1[N+](=O)[O-] ZINC000268295464 426979702 /nfs/dbraw/zinc/97/97/02/426979702.db2.gz FQJOVAALMVDYBE-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000181806715 426982633 /nfs/dbraw/zinc/98/26/33/426982633.db2.gz WCNPNUWJNXZBLI-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293615 426990237 /nfs/dbraw/zinc/99/02/37/426990237.db2.gz YBBVGFAIVUEIDU-WFASDCNBSA-N 1 0 309.385 2.896 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000181339948 426938357 /nfs/dbraw/zinc/93/83/57/426938357.db2.gz MYWJYCPFPMGOQP-GFCCVEGCSA-N 1 0 319.336 2.555 20 5 DFBDRO CC1(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)OCCO1 ZINC000268190758 426944242 /nfs/dbraw/zinc/94/42/42/426944242.db2.gz XJJRDJUVAVCJRH-UHFFFAOYSA-N 1 0 306.362 2.570 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291872385 427012680 /nfs/dbraw/zinc/01/26/80/427012680.db2.gz IKVACRRGPIRUMY-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295942785 427019827 /nfs/dbraw/zinc/01/98/27/427019827.db2.gz GMDGBKWNPVDRCY-STQMWFEESA-N 1 0 307.394 2.892 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)cc1[N+](=O)[O-] ZINC000190142753 427029680 /nfs/dbraw/zinc/02/96/80/427029680.db2.gz AUYFRKUTVPEJCK-WBMJQRKESA-N 1 0 319.405 2.804 20 5 DFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000291941110 427032279 /nfs/dbraw/zinc/03/22/79/427032279.db2.gz MUBYERQGFXHSMU-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO CC(=O)c1cc(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000283570348 427035482 /nfs/dbraw/zinc/03/54/82/427035482.db2.gz OBOCLFUQGSXGSF-LBPRGKRZSA-N 1 0 305.378 2.941 20 5 DFBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@@H]1C(F)(F)F ZINC000190181108 427039674 /nfs/dbraw/zinc/03/96/74/427039674.db2.gz HMEJRVOELMFAAT-NSHDSACASA-N 1 0 320.315 2.702 20 5 DFBDRO CN(c1ncccc1[N+](=O)[O-])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268520531 427041759 /nfs/dbraw/zinc/04/17/59/427041759.db2.gz ZZMNPVZQQURDTJ-HNNXBMFYSA-N 1 0 312.373 2.701 20 5 DFBDRO COc1cc(CN2CCC[C@@](C)(F)C2)c([N+](=O)[O-])cc1OC ZINC000296011698 427046907 /nfs/dbraw/zinc/04/69/07/427046907.db2.gz LRBMZVHSASMQMI-OAHLLOKOSA-N 1 0 312.341 2.936 20 5 DFBDRO CCC[NH+]1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000276372162 427049552 /nfs/dbraw/zinc/04/95/52/427049552.db2.gz DBYQSVRLRAVKLE-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283737177 427065120 /nfs/dbraw/zinc/06/51/20/427065120.db2.gz IPYRSZZSZZLWCQ-CQSZACIVSA-N 1 0 319.405 2.966 20 5 DFBDRO Cc1cccc(NC[C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)[nH+]1 ZINC000190323405 427074076 /nfs/dbraw/zinc/07/40/76/427074076.db2.gz CYHQWHRUXDLHCZ-LLVKDONJSA-N 1 0 319.390 2.693 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000292067473 427076439 /nfs/dbraw/zinc/07/64/39/427076439.db2.gz WZMROACIYGPJDN-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC3(CCOCC3)CC2)c1 ZINC000283954187 427103899 /nfs/dbraw/zinc/10/38/99/427103899.db2.gz BROGMTCHQDJGON-MRXNPFEDSA-N 1 0 320.389 2.521 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000292141330 427107221 /nfs/dbraw/zinc/10/72/21/427107221.db2.gz JHVOTPAYCMHSDF-BXUZGUMPSA-N 1 0 317.345 2.559 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CCOCC3)CC2)cc1 ZINC000283962174 427108113 /nfs/dbraw/zinc/10/81/13/427108113.db2.gz CASQLNBIFAAQNW-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190453966 427112371 /nfs/dbraw/zinc/11/23/71/427112371.db2.gz DMPJSAGFNUGZHP-RYUDHWBXSA-N 1 0 323.418 2.607 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000284063118 427126054 /nfs/dbraw/zinc/12/60/54/427126054.db2.gz AMBFYXURQFRLHO-XEZPLFJOSA-N 1 0 324.421 2.712 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000268826799 427132072 /nfs/dbraw/zinc/13/20/72/427132072.db2.gz LJMLUYSHMHGGTO-TZMCWYRMSA-N 1 0 305.378 2.524 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(F)F ZINC000296288581 427136823 /nfs/dbraw/zinc/13/68/23/427136823.db2.gz FIHZCNYFGIDJJV-MJBXVCDLSA-N 1 0 314.332 2.966 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000292223950 427137157 /nfs/dbraw/zinc/13/71/57/427137157.db2.gz ZXROOCHROGIUNP-SNVBAGLBSA-N 1 0 311.407 2.564 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@H]21 ZINC000268871961 427138744 /nfs/dbraw/zinc/13/87/44/427138744.db2.gz UPXHWHOECCJUAG-ZWNOBZJWSA-N 1 0 310.785 2.564 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277275919 427146558 /nfs/dbraw/zinc/14/65/58/427146558.db2.gz MYGNTGLFNFHFJW-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCC2(O)CCC2)c1 ZINC000284169978 427149289 /nfs/dbraw/zinc/14/92/89/427149289.db2.gz WYMHKDLWVPMOIZ-UHFFFAOYSA-N 1 0 316.304 2.591 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000292265462 427151217 /nfs/dbraw/zinc/15/12/17/427151217.db2.gz LCJIOJOONISVMC-GFCCVEGCSA-N 1 0 304.394 2.609 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)C1 ZINC000292288134 427161729 /nfs/dbraw/zinc/16/17/29/427161729.db2.gz MXANDLWPLAOBDG-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO[C@H]1C1CC1 ZINC000284239915 427162507 /nfs/dbraw/zinc/16/25/07/427162507.db2.gz VOJBALXHGRTQNQ-LSDHHAIUSA-N 1 0 321.333 2.550 20 5 DFBDRO O=[N+]([O-])c1cccnc1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000171648340 271105225 /nfs/dbraw/zinc/10/52/25/271105225.db2.gz UFHGTKSJLWORFB-HNNXBMFYSA-N 1 0 312.373 2.924 20 5 DFBDRO O=[N+]([O-])c1cccnc1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000171648338 271105699 /nfs/dbraw/zinc/10/56/99/271105699.db2.gz UFHGTKSJLWORFB-OAHLLOKOSA-N 1 0 312.373 2.924 20 5 DFBDRO CC(=O)c1cc(NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000286161684 271343279 /nfs/dbraw/zinc/34/32/79/271343279.db2.gz CEKVAWGCRBKMIU-GFCCVEGCSA-N 1 0 305.378 2.941 20 5 DFBDRO Cc1cc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301282458 271361245 /nfs/dbraw/zinc/36/12/45/271361245.db2.gz PABRVBUQDMMEHL-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000285391180 427216747 /nfs/dbraw/zinc/21/67/47/427216747.db2.gz DMALXEBDRFKXCV-CHWSQXEVSA-N 1 0 308.378 2.756 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000285391186 427219139 /nfs/dbraw/zinc/21/91/39/427219139.db2.gz DMALXEBDRFKXCV-QWHCGFSZSA-N 1 0 308.378 2.756 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)C1 ZINC000292331817 427178081 /nfs/dbraw/zinc/17/80/81/427178081.db2.gz PKDVBCYPMISVLG-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1 ZINC000292437567 427181540 /nfs/dbraw/zinc/18/15/40/427181540.db2.gz YBWCPCMOUCBKIC-LBPRGKRZSA-N 1 0 304.394 2.609 20 5 DFBDRO Cc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000292767880 427198038 /nfs/dbraw/zinc/19/80/38/427198038.db2.gz WPSRNAOSMGTBQO-CYBMUJFWSA-N 1 0 307.369 2.964 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C(F)F ZINC000338227079 427201227 /nfs/dbraw/zinc/20/12/27/427201227.db2.gz WXFWFLKNNADXKD-ZKYQVNSYSA-N 1 0 314.332 2.522 20 5 DFBDRO CC(C)C1([NH2+]Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000292977701 427209393 /nfs/dbraw/zinc/20/93/93/427209393.db2.gz KWKPTXABHHWOAC-UHFFFAOYSA-N 1 0 302.334 2.923 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000190957657 427214663 /nfs/dbraw/zinc/21/46/63/427214663.db2.gz OXFBENFOXGYQIP-VOWYIILJSA-N 1 0 306.362 2.785 20 5 DFBDRO CN(CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285605997 427285870 /nfs/dbraw/zinc/28/58/70/427285870.db2.gz VMJVSQDDTWRJSM-YIONKMFJSA-N 1 0 319.405 2.531 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000330399459 427230146 /nfs/dbraw/zinc/23/01/46/427230146.db2.gz RMMRWDQNRVGPMY-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000183251149 427231571 /nfs/dbraw/zinc/23/15/71/427231571.db2.gz SPVHGPKUNUPDHO-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296791932 427235908 /nfs/dbraw/zinc/23/59/08/427235908.db2.gz QQGJYYGEIKRRPX-OCCSQVGLSA-N 1 0 321.377 2.737 20 5 DFBDRO CC[N@@H+](Cc1ccccn1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653220 427241157 /nfs/dbraw/zinc/24/11/57/427241157.db2.gz NITTWXNWBPYXHP-INIZCTEOSA-N 1 0 301.346 2.545 20 5 DFBDRO COc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285489295 427246266 /nfs/dbraw/zinc/24/62/66/427246266.db2.gz IMPBVFJZRIIIHR-HIFRSBDPSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000293233571 427254354 /nfs/dbraw/zinc/25/43/54/427254354.db2.gz YPBAFFBEQGWKGZ-KRWDZBQOSA-N 1 0 322.405 2.704 20 5 DFBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000269702727 427256343 /nfs/dbraw/zinc/25/63/43/427256343.db2.gz YXBPSSLSLYAFIE-GOSISDBHSA-N 1 0 312.369 2.727 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000183478511 427274678 /nfs/dbraw/zinc/27/46/78/427274678.db2.gz FLKAXCHGFSBUIO-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000261902584 427343507 /nfs/dbraw/zinc/34/35/07/427343507.db2.gz PBAAVYNQFSLLPE-IACUBPJLSA-N 1 0 312.373 2.707 20 5 DFBDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1 ZINC000330687266 427294089 /nfs/dbraw/zinc/29/40/89/427294089.db2.gz BTEQWVKANHJTEG-GFCCVEGCSA-N 1 0 322.409 2.553 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000297280605 427383668 /nfs/dbraw/zinc/38/36/68/427383668.db2.gz XHIGUKQWBQHDMJ-XHDPSFHLSA-N 1 0 317.393 2.638 20 5 DFBDRO C[C@H]([NH2+]CCN1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628342 427387608 /nfs/dbraw/zinc/38/76/08/427387608.db2.gz HJGVYOGFVONQJO-OLZOCXBDSA-N 1 0 306.410 2.560 20 5 DFBDRO COc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000271079675 427398481 /nfs/dbraw/zinc/39/84/81/427398481.db2.gz IKHGFCWXRAOQAO-LLVKDONJSA-N 1 0 311.357 2.521 20 5 DFBDRO CCc1nnc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)[nH]1 ZINC000191694871 427407288 /nfs/dbraw/zinc/40/72/88/427407288.db2.gz ZDPJHPZOZZPXJP-UHFFFAOYSA-N 1 0 315.377 2.655 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1[N+](=O)[O-] ZINC000263118304 427417102 /nfs/dbraw/zinc/41/71/02/427417102.db2.gz ATMHKMYNTXYIFX-QEORTHHSSA-N 1 0 319.405 2.988 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000277894493 427354371 /nfs/dbraw/zinc/35/43/71/427354371.db2.gz DQWHUFHOMWBXCS-AWEZNQCLSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000331152967 427355553 /nfs/dbraw/zinc/35/55/53/427355553.db2.gz IWKNKHQHJVFBHW-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)[N@@H+]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285874155 427358904 /nfs/dbraw/zinc/35/89/04/427358904.db2.gz FEZONPJICYMGDB-UHFFFAOYSA-N 1 0 313.348 2.789 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1 ZINC000293555331 427362140 /nfs/dbraw/zinc/36/21/40/427362140.db2.gz FLWMBEBZUUUIAX-MRXNPFEDSA-N 1 0 302.374 2.986 20 5 DFBDRO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583411 427448657 /nfs/dbraw/zinc/44/86/57/427448657.db2.gz JXVNQJYHQYDKRL-VXGBXAGGSA-N 1 0 321.406 2.830 20 5 DFBDRO Cc1ncsc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583409 427448983 /nfs/dbraw/zinc/44/89/83/427448983.db2.gz JXVNQJYHQYDKRL-NWDGAFQWSA-N 1 0 321.406 2.830 20 5 DFBDRO COCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000293834246 427457635 /nfs/dbraw/zinc/45/76/35/427457635.db2.gz WQUPOGOKVIIMIH-CQSZACIVSA-N 1 0 322.405 2.997 20 5 DFBDRO CC(=O)c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233152 427461489 /nfs/dbraw/zinc/46/14/89/427461489.db2.gz OGARXBIRVSILQB-BBRMVZONSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC(N)=O)CC1 ZINC000271245337 427464880 /nfs/dbraw/zinc/46/48/80/427464880.db2.gz QEGOOVNAJZUEQN-LBPRGKRZSA-N 1 0 305.378 2.633 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CCO)c1ccco1 ZINC000184503878 427473287 /nfs/dbraw/zinc/47/32/87/427473287.db2.gz SDUOHOWBRPFCDS-ZRFDWSJLSA-N 1 0 302.330 2.914 20 5 DFBDRO Cc1cnc(N(C)CCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000286272833 427475794 /nfs/dbraw/zinc/47/57/94/427475794.db2.gz FUWHLZFHHOZASQ-UHFFFAOYSA-N 1 0 318.377 2.850 20 5 DFBDRO C[C@@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000278867667 427481907 /nfs/dbraw/zinc/48/19/07/427481907.db2.gz YZCJRWIGLKNUEX-GFCCVEGCSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286303239 427484693 /nfs/dbraw/zinc/48/46/93/427484693.db2.gz YMUZKYBOKMDJFN-JTQLQIEISA-N 1 0 321.406 2.743 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172112 427430808 /nfs/dbraw/zinc/43/08/08/427430808.db2.gz UJUMSGGAWRCHRF-OLZOCXBDSA-N 1 0 309.410 2.984 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172110 427431733 /nfs/dbraw/zinc/43/17/33/427431733.db2.gz UJUMSGGAWRCHRF-CHWSQXEVSA-N 1 0 309.410 2.984 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286337856 427496869 /nfs/dbraw/zinc/49/68/69/427496869.db2.gz VSLPLIMLTURDDF-NNQSOWQGSA-N 1 0 317.389 2.600 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184642159 427508435 /nfs/dbraw/zinc/50/84/35/427508435.db2.gz KBAZYITWFHXQAG-NSHDSACASA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCCC[NH+](C)C ZINC000271369078 427512358 /nfs/dbraw/zinc/51/23/58/427512358.db2.gz ZBQMQBOQFXNXLV-UHFFFAOYSA-N 1 0 307.394 2.592 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000298082435 427515734 /nfs/dbraw/zinc/51/57/34/427515734.db2.gz LMHCRIDPKKAQDT-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO CCOC[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000286396430 427516003 /nfs/dbraw/zinc/51/60/03/427516003.db2.gz ZUINCLMIBAZMGZ-CQSZACIVSA-N 1 0 323.393 2.574 20 5 DFBDRO C[N@H+](CCc1cnccn1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271387425 427519925 /nfs/dbraw/zinc/51/99/25/427519925.db2.gz USUXCQRRORVGRS-UHFFFAOYSA-N 1 0 306.753 2.713 20 5 DFBDRO CN(C)C(=O)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278983606 427522020 /nfs/dbraw/zinc/52/20/20/427522020.db2.gz DFUCMPUQAUGLAB-OAHLLOKOSA-N 1 0 319.405 2.775 20 5 DFBDRO Cc1cccc(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000298162133 427525680 /nfs/dbraw/zinc/52/56/80/427525680.db2.gz VEKAIEFPNOSSIS-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014334 427531680 /nfs/dbraw/zinc/53/16/80/427531680.db2.gz UDINBQIRQDXRPV-CHWSQXEVSA-N 1 0 300.362 2.705 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286465857 427532598 /nfs/dbraw/zinc/53/25/98/427532598.db2.gz VKGOPSGBGHTEER-WCQYABFASA-N 1 0 315.377 2.534 20 5 DFBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184771695 427535561 /nfs/dbraw/zinc/53/55/61/427535561.db2.gz VFKPZKAXLNNKEB-CABCVRRESA-N 1 0 320.345 2.507 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222195 427550423 /nfs/dbraw/zinc/55/04/23/427550423.db2.gz AUAMIMDCPDHDLY-KBPBESRZSA-N 1 0 323.780 2.605 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ncc([N+](=O)[O-])s1 ZINC000192488388 427551741 /nfs/dbraw/zinc/55/17/41/427551741.db2.gz LVVCYGOMFZKOGH-UHFFFAOYSA-N 1 0 324.381 2.759 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCC1(C)C ZINC000298266707 427553532 /nfs/dbraw/zinc/55/35/32/427553532.db2.gz WEXLUVKGIVLGCT-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH+](C)C)CCC1 ZINC000332457002 427614995 /nfs/dbraw/zinc/61/49/95/427614995.db2.gz HXCQXDIHEROXPW-UHFFFAOYSA-N 1 0 319.405 2.734 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279258957 427618435 /nfs/dbraw/zinc/61/84/35/427618435.db2.gz LZRJRSUJWXYICD-IUODEOHRSA-N 1 0 317.389 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@H+](CCO)CC2CC2)c1 ZINC000338923806 427561205 /nfs/dbraw/zinc/56/12/05/427561205.db2.gz HEFUBLPLEOJWDB-UHFFFAOYSA-N 1 0 318.295 2.818 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000341761275 271892078 /nfs/dbraw/zinc/89/20/78/271892078.db2.gz PMYJIGOQCVIWJL-LLVKDONJSA-N 1 0 308.382 2.755 20 5 DFBDRO CCn1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000271511701 427566308 /nfs/dbraw/zinc/56/63/08/427566308.db2.gz OWHGUDOCKMAOMJ-ZDUSSCGKSA-N 1 0 302.378 2.922 20 5 DFBDRO Cc1noc(CCC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000271533400 427576299 /nfs/dbraw/zinc/57/62/99/427576299.db2.gz XFKVDQDQERBZLT-LLVKDONJSA-N 1 0 304.350 2.878 20 5 DFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000192643757 427581428 /nfs/dbraw/zinc/58/14/28/427581428.db2.gz YHQFFJYAYYQMFA-MRXNPFEDSA-N 1 0 300.358 2.630 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000192705686 427592141 /nfs/dbraw/zinc/59/21/41/427592141.db2.gz JFTUYCJXXQWJML-AWEZNQCLSA-N 1 0 323.441 2.900 20 5 DFBDRO CC1(C)CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000332375076 427596831 /nfs/dbraw/zinc/59/68/31/427596831.db2.gz ZHSFBOVQHBBVRV-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO COCCOCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279221370 427602725 /nfs/dbraw/zinc/60/27/25/427602725.db2.gz YZQVBCZGPLKUDL-OAHLLOKOSA-N 1 0 308.378 2.570 20 5 DFBDRO CC[C@@H](C)[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000287416500 427604311 /nfs/dbraw/zinc/60/43/11/427604311.db2.gz OSNJWGFCTNLUBD-GFCCVEGCSA-N 1 0 319.361 2.843 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193102793 427666054 /nfs/dbraw/zinc/66/60/54/427666054.db2.gz CVXMJZUZMPOZHC-HNNXBMFYSA-N 1 0 319.405 2.724 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@@H+]2CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000264110337 427661739 /nfs/dbraw/zinc/66/17/39/427661739.db2.gz SSHSUNJXXYLSHK-AWEZNQCLSA-N 1 0 316.361 2.544 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@@H]1C ZINC000342483227 272017439 /nfs/dbraw/zinc/01/74/39/272017439.db2.gz YSAAKZWBDWJURE-NWDGAFQWSA-N 1 0 305.378 2.716 20 5 DFBDRO COCC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccco1 ZINC000339085036 427669600 /nfs/dbraw/zinc/66/96/00/427669600.db2.gz OAVNXGCYUNIVBM-CYBMUJFWSA-N 1 0 306.318 2.761 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000287682924 427667948 /nfs/dbraw/zinc/66/79/48/427667948.db2.gz JNHKHNNZTHJPOA-ZDUSSCGKSA-N 1 0 305.378 2.718 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343402574 272137945 /nfs/dbraw/zinc/13/79/45/272137945.db2.gz MCRPELHIQYLWQX-AWEZNQCLSA-N 1 0 308.378 2.768 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000343566760 272172799 /nfs/dbraw/zinc/17/27/99/272172799.db2.gz KKSVFLLLLPVTAU-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000343665523 272196879 /nfs/dbraw/zinc/19/68/79/272196879.db2.gz MTDLXCGKXOZVLY-HNNXBMFYSA-N 1 0 319.405 2.761 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000343685248 272200779 /nfs/dbraw/zinc/20/07/79/272200779.db2.gz ZUYZJERXSYONES-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccccc1[C@H]([C@@H](C)Nc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343803561 272222540 /nfs/dbraw/zinc/22/25/40/272222540.db2.gz HDZJESMRMAITHA-DOMZBBRYSA-N 1 0 315.377 2.797 20 5 DFBDRO COC[C@@H]1C[C@@H](OC)C[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000343892323 272233226 /nfs/dbraw/zinc/23/32/26/272233226.db2.gz YDXXXTAGQKLSGW-QIDGOZRWSA-N 1 0 320.389 2.734 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931931 272240076 /nfs/dbraw/zinc/24/00/76/272240076.db2.gz PYJQMKMVHKPVDT-QWHCGFSZSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011150 272249351 /nfs/dbraw/zinc/24/93/51/272249351.db2.gz SDMYYEQJEGTKLJ-OCCSQVGLSA-N 1 0 317.389 2.962 20 5 DFBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344081411 272259164 /nfs/dbraw/zinc/25/91/64/272259164.db2.gz ZXKWGUUWTCVSJP-ZDUSSCGKSA-N 1 0 319.405 2.926 20 5 DFBDRO C[C@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082719 272259497 /nfs/dbraw/zinc/25/94/97/272259497.db2.gz RXEYWOMGZLDGFU-HIFRSBDPSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344122905 272268693 /nfs/dbraw/zinc/26/86/93/272268693.db2.gz FEMJBGVLYJBCLJ-JTQLQIEISA-N 1 0 308.769 2.703 20 5 DFBDRO CC1(C)CC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000344189827 272283312 /nfs/dbraw/zinc/28/33/12/272283312.db2.gz OIPFYFPINRJVPP-UHFFFAOYSA-N 1 0 323.368 2.773 20 5 DFBDRO CC[C@]1(C)CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000344223459 272290993 /nfs/dbraw/zinc/29/09/93/272290993.db2.gz SOJFICSGEFKNBW-QGZVFWFLSA-N 1 0 317.389 2.606 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344293206 272306208 /nfs/dbraw/zinc/30/62/08/272306208.db2.gz QENAMLJGLMHAGE-CVEARBPZSA-N 1 0 320.389 2.911 20 5 DFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000344326126 272313495 /nfs/dbraw/zinc/31/34/95/272313495.db2.gz BTSLXDFNXIRRBL-CVEARBPZSA-N 1 0 306.362 2.651 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000344693672 272357247 /nfs/dbraw/zinc/35/72/47/272357247.db2.gz BTIRFTRPXQMYQV-CABCVRRESA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000344718495 272359774 /nfs/dbraw/zinc/35/97/74/272359774.db2.gz WMMKOIPJRVOKDQ-CABCVRRESA-N 1 0 324.377 2.515 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1OC ZINC000344718497 272360064 /nfs/dbraw/zinc/36/00/64/272360064.db2.gz WMMKOIPJRVOKDQ-HUUCEWRRSA-N 1 0 324.377 2.515 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000344737851 272364027 /nfs/dbraw/zinc/36/40/27/272364027.db2.gz ZAFOABDCMBPYJY-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CN1CCCC1=O ZINC000344796193 272370727 /nfs/dbraw/zinc/37/07/27/272370727.db2.gz SRTYQHJZXSFLOG-SSUFTNFISA-N 1 0 317.389 2.599 20 5 DFBDRO CS[C@H](CO)[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344858267 272377833 /nfs/dbraw/zinc/37/78/33/272377833.db2.gz MHUPRAIYSWUFGB-QBSXNGMFSA-N 1 0 310.419 2.700 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)c1 ZINC000345032205 272396413 /nfs/dbraw/zinc/39/64/13/272396413.db2.gz WBWAAMDOOCIXDK-OAHLLOKOSA-N 1 0 314.341 2.915 20 5 DFBDRO COc1ccc(OCC[NH+]2CCC(CF)CC2)c([N+](=O)[O-])c1 ZINC000295078930 427685945 /nfs/dbraw/zinc/68/59/45/427685945.db2.gz DTSVYTNETAAQPN-UHFFFAOYSA-N 1 0 312.341 2.664 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298721923 427687155 /nfs/dbraw/zinc/68/71/55/427687155.db2.gz JCNOUONJYYGNRK-ZFWWWQNUSA-N 1 0 318.377 2.652 20 5 DFBDRO Cc1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108020 427696031 /nfs/dbraw/zinc/69/60/31/427696031.db2.gz UYNPFFDBJFWVOT-WCQYABFASA-N 1 0 319.409 2.758 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109630 427697539 /nfs/dbraw/zinc/69/75/39/427697539.db2.gz KXQCLZYCZGLHOE-JQWIXIFHSA-N 1 0 323.780 2.557 20 5 DFBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185793281 427708465 /nfs/dbraw/zinc/70/84/65/427708465.db2.gz FYLXKDSUOYVCOS-HNNXBMFYSA-N 1 0 300.362 2.628 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193920990 427723850 /nfs/dbraw/zinc/72/38/50/427723850.db2.gz ZOQZNJGIKZGYQJ-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000336861596 427765322 /nfs/dbraw/zinc/76/53/22/427765322.db2.gz CYFSEPZTSASEBO-CQSZACIVSA-N 1 0 300.362 2.804 20 5 DFBDRO COc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000339387624 427765411 /nfs/dbraw/zinc/76/54/11/427765411.db2.gz MQZADARWFQPFGY-JTQLQIEISA-N 1 0 306.322 2.699 20 5 DFBDRO C[NH2+]C[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000300485932 427771624 /nfs/dbraw/zinc/77/16/24/427771624.db2.gz CTHWUIPNPDYGKJ-MRVPVSSYSA-N 1 0 316.199 2.933 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301201821 427781723 /nfs/dbraw/zinc/78/17/23/427781723.db2.gz PUUBTTRILOYEPH-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000301237916 427783558 /nfs/dbraw/zinc/78/35/58/427783558.db2.gz MUJTZEUMWOUHTE-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301271925 427785598 /nfs/dbraw/zinc/78/55/98/427785598.db2.gz QZMHNDAEQYJEGU-LBPRGKRZSA-N 1 0 308.338 2.789 20 5 DFBDRO Cc1ccnc(N(C)CC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000301303674 427787527 /nfs/dbraw/zinc/78/75/27/427787527.db2.gz SNSXINVZPMFQST-UHFFFAOYSA-N 1 0 306.410 2.999 20 5 DFBDRO Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194220939 427734971 /nfs/dbraw/zinc/73/49/71/427734971.db2.gz ILDYBCZKHJIRRU-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000339252819 427741806 /nfs/dbraw/zinc/74/18/06/427741806.db2.gz HXJORQRKFDTRAW-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CN(C(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000339682036 427811496 /nfs/dbraw/zinc/81/14/96/427811496.db2.gz IRCUKRKHNSBFQF-AWEZNQCLSA-N 1 0 317.389 2.680 20 5 DFBDRO COc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000337188513 427812103 /nfs/dbraw/zinc/81/21/03/427812103.db2.gz QWVJKEYMBFGXOE-JTQLQIEISA-N 1 0 302.334 2.553 20 5 DFBDRO CCOc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000301660375 427813285 /nfs/dbraw/zinc/81/32/85/427813285.db2.gz CMEOVPWEMIQXDQ-DZGCQCFKSA-N 1 0 319.405 2.914 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000301721083 427819167 /nfs/dbraw/zinc/81/91/67/427819167.db2.gz QFNZMPJWEYCKMF-RISCZKNCSA-N 1 0 323.368 2.663 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000301809457 427826017 /nfs/dbraw/zinc/82/60/17/427826017.db2.gz YXHUWGKUHXTFMA-ZDUSSCGKSA-N 1 0 304.394 2.751 20 5 DFBDRO Cc1ccc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301832446 427827673 /nfs/dbraw/zinc/82/76/73/427827673.db2.gz UBOXWUVBLHOGQT-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO CC(C)OCC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301920660 427842443 /nfs/dbraw/zinc/84/24/43/427842443.db2.gz DCBLCNLRQRAADZ-UHFFFAOYSA-N 1 0 313.423 2.958 20 5 DFBDRO COc1cc(NCC[NH+]2CCCCCC2)c([N+](=O)[O-])cc1OC ZINC000301924215 427842890 /nfs/dbraw/zinc/84/28/90/427842890.db2.gz MATGGWWEGKEWSY-UHFFFAOYSA-N 1 0 323.393 2.900 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730856 427865935 /nfs/dbraw/zinc/86/59/35/427865935.db2.gz HKFLOLANDTVBLR-BARDWOONSA-N 1 0 322.405 2.701 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000359475906 427868437 /nfs/dbraw/zinc/86/84/37/427868437.db2.gz IWCRJCZUZRWIOG-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO COCC[NH+]1CCC(CNc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000302794790 427873657 /nfs/dbraw/zinc/87/36/57/427873657.db2.gz JEQNIHVOEYPPMC-UHFFFAOYSA-N 1 0 311.357 2.504 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339935505 427878508 /nfs/dbraw/zinc/87/85/08/427878508.db2.gz IBLMVLIYRWELTB-QWHCGFSZSA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794401 427897490 /nfs/dbraw/zinc/89/74/90/427897490.db2.gz YZNWICZLNVREFB-WOPDTQHZSA-N 1 0 305.378 2.560 20 5 DFBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794399 427897802 /nfs/dbraw/zinc/89/78/02/427897802.db2.gz YZNWICZLNVREFB-IJLUTSLNSA-N 1 0 305.378 2.560 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000349974296 427910811 /nfs/dbraw/zinc/91/08/11/427910811.db2.gz WQCHOOAKITVIBU-PBHICJAKSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000341058217 427983860 /nfs/dbraw/zinc/98/38/60/427983860.db2.gz LAJNFCAULBVMPU-PHIMTYICSA-N 1 0 311.407 2.649 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000341055065 427984770 /nfs/dbraw/zinc/98/47/70/427984770.db2.gz HXROKKJDCIBFEI-STQMWFEESA-N 1 0 305.378 2.588 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000413210243 427990897 /nfs/dbraw/zinc/99/08/97/427990897.db2.gz OUTPRPUYBYWSQV-HUUCEWRRSA-N 1 0 316.336 2.986 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000359619351 427938754 /nfs/dbraw/zinc/93/87/54/427938754.db2.gz MXPXDNUVSONKGD-GFCCVEGCSA-N 1 0 305.378 2.565 20 5 DFBDRO [NH3+][C@H]1CCCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000346133314 428031834 /nfs/dbraw/zinc/03/18/34/428031834.db2.gz QRUQWTAXQQHJJH-LBPRGKRZSA-N 1 0 301.346 2.778 20 5 DFBDRO CCCCCC[C@H](O)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369677594 428034178 /nfs/dbraw/zinc/03/41/78/428034178.db2.gz XTMCTNHBGRPBMF-HNNXBMFYSA-N 1 0 324.425 2.760 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000369694331 428037350 /nfs/dbraw/zinc/03/73/50/428037350.db2.gz DZADDWAEVZJYRQ-MRXNPFEDSA-N 1 0 312.373 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3cnccn3)CC2)cc1 ZINC000376998569 428038216 /nfs/dbraw/zinc/03/82/16/428038216.db2.gz UHBFGKGLXRHUBC-UHFFFAOYSA-N 1 0 312.373 2.807 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000413431001 428046946 /nfs/dbraw/zinc/04/69/46/428046946.db2.gz AHKXFRJZOJKMQQ-JTQLQIEISA-N 1 0 321.406 2.743 20 5 DFBDRO COCC[C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000413489519 428061586 /nfs/dbraw/zinc/06/15/86/428061586.db2.gz HBPUOGCUMQNDDK-NSHDSACASA-N 1 0 303.362 2.958 20 5 DFBDRO C[C@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413531102 428072556 /nfs/dbraw/zinc/07/25/56/428072556.db2.gz LAMNACLZUPKGOZ-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000413534717 428074247 /nfs/dbraw/zinc/07/42/47/428074247.db2.gz RNWOMAHCCGNWHY-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000369884426 428083468 /nfs/dbraw/zinc/08/34/68/428083468.db2.gz ZIDKDJFECDEAHQ-ZDUSSCGKSA-N 1 0 312.369 2.775 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359949447 428089571 /nfs/dbraw/zinc/08/95/71/428089571.db2.gz LYSHRQZRIRDMKZ-MRXNPFEDSA-N 1 0 322.405 2.595 20 5 DFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[N+](=O)[O-])C2)cn1 ZINC000370006858 428109083 /nfs/dbraw/zinc/10/90/83/428109083.db2.gz INLKCJAWUSVHSR-LBPRGKRZSA-N 1 0 318.352 2.532 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000356295959 428110837 /nfs/dbraw/zinc/11/08/37/428110837.db2.gz ZVUWBWBCMAXQAP-NOLJZWGESA-N 1 0 306.362 2.584 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000346291844 428111363 /nfs/dbraw/zinc/11/13/63/428111363.db2.gz QWXFROZNLVMUEN-ZIAGYGMSSA-N 1 0 317.389 2.603 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000359893590 428064244 /nfs/dbraw/zinc/06/42/44/428064244.db2.gz BNBWURARKHSJGH-HZPDHXFCSA-N 1 0 324.384 2.558 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCCC[NH+]1CCCCC1 ZINC000352354888 428131783 /nfs/dbraw/zinc/13/17/83/428131783.db2.gz FSNZNSFBUIDUEN-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369211 428134092 /nfs/dbraw/zinc/13/40/92/428134092.db2.gz XNLUNBFRINCJOG-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358225 428134436 /nfs/dbraw/zinc/13/44/36/428134436.db2.gz XBBOGBAEXUUXLF-KBPBESRZSA-N 1 0 314.389 3.428 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362518 428134498 /nfs/dbraw/zinc/13/44/98/428134498.db2.gz VXRALEVHUWXHNG-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000341760435 428185519 /nfs/dbraw/zinc/18/55/19/428185519.db2.gz METBZRYBWURPQS-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cnc2n1CCCC2 ZINC000370259125 428169587 /nfs/dbraw/zinc/16/95/87/428169587.db2.gz BKSOEMQEVDLGQP-FNORWQNLSA-N 1 0 312.373 2.931 20 5 DFBDRO O=C(N1CCCc2c([N+](=O)[O-])cccc21)C12CCC[NH+]1CCC2 ZINC000377610227 428170692 /nfs/dbraw/zinc/17/06/92/428170692.db2.gz VULBIYIYGOUENC-UHFFFAOYSA-N 1 0 315.373 2.502 20 5 DFBDRO COC1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414180051 428226823 /nfs/dbraw/zinc/22/68/23/428226823.db2.gz LDCHVNZQPYMLKS-CVSAEHQPSA-N 1 0 322.409 2.822 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000352766843 428236655 /nfs/dbraw/zinc/23/66/55/428236655.db2.gz DDYVMLCZEPPXDC-SUMWQHHRSA-N 1 0 317.389 2.566 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000352766835 428237754 /nfs/dbraw/zinc/23/77/54/428237754.db2.gz DDYVMLCZEPPXDC-CXAGYDPISA-N 1 0 317.389 2.566 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(Cl)cc3)CC2)c1 ZINC000341875770 428238433 /nfs/dbraw/zinc/23/84/33/428238433.db2.gz JZNCXGJOZJJKAH-UHFFFAOYSA-N 1 0 306.753 2.724 20 5 DFBDRO COc1ccc(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000414069225 428196169 /nfs/dbraw/zinc/19/61/69/428196169.db2.gz JBPVAKBKYBEJNT-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000341985382 428269555 /nfs/dbraw/zinc/26/95/55/428269555.db2.gz WZVLDOWLCOUDIA-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)CC[C@H]([NH3+])C(C)C ZINC000346691795 428278065 /nfs/dbraw/zinc/27/80/65/428278065.db2.gz WJYHUMLCZJZSBA-HNNXBMFYSA-N 1 0 309.410 2.799 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877742 428291480 /nfs/dbraw/zinc/29/14/80/428291480.db2.gz QIIINPFITINFNY-DGCLKSJQSA-N 1 0 306.366 2.507 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000352778749 428242884 /nfs/dbraw/zinc/24/28/84/428242884.db2.gz MDHZUKOTSOMIPP-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776520 428243066 /nfs/dbraw/zinc/24/30/66/428243066.db2.gz CRSFCIKTAQIXHV-HUUCEWRRSA-N 1 0 320.389 2.852 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCOCC1 ZINC000352777665 428243630 /nfs/dbraw/zinc/24/36/30/428243630.db2.gz HUPDCBISDQYOQP-CQSZACIVSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352780027 428244630 /nfs/dbraw/zinc/24/46/30/428244630.db2.gz RCHPITXEWHUOQP-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879742 428312642 /nfs/dbraw/zinc/31/26/42/428312642.db2.gz YCBQEKJVNCQLAQ-ZIAGYGMSSA-N 1 0 311.332 2.936 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131865 428317235 /nfs/dbraw/zinc/31/72/35/428317235.db2.gz GTCNNCUVNYUPCR-KGLIPLIRSA-N 1 0 304.394 2.751 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000274713815 273601224 /nfs/dbraw/zinc/60/12/24/273601224.db2.gz VRNBOASZYRCPHO-GFCCVEGCSA-N 1 0 307.394 2.720 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342156913 428327963 /nfs/dbraw/zinc/32/79/63/428327963.db2.gz PVKIVDGHCCVTCH-SWLSCSKDSA-N 1 0 324.402 2.822 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000342167459 428330626 /nfs/dbraw/zinc/33/06/26/428330626.db2.gz BDCJZCIYMRKKKA-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO CCCC[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000342168458 428333335 /nfs/dbraw/zinc/33/33/35/428333335.db2.gz SOOPLTGNZPTUBN-UHFFFAOYSA-N 1 0 309.395 2.743 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000346828797 428333669 /nfs/dbraw/zinc/33/36/69/428333669.db2.gz ITBIEEJJQHSEKI-BPUTZDHNSA-N 1 0 303.406 2.887 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000360531658 428336655 /nfs/dbraw/zinc/33/66/55/428336655.db2.gz YIIJOQUDTPIOIN-GFCCVEGCSA-N 1 0 307.394 2.686 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000356855032 428336907 /nfs/dbraw/zinc/33/69/07/428336907.db2.gz PSXFIKBOCQOYSK-KBPBESRZSA-N 1 0 319.405 2.685 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414550834 428338163 /nfs/dbraw/zinc/33/81/63/428338163.db2.gz AMYIGOCJTSUFEV-AFCDSYGPSA-N 1 0 318.373 2.883 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@H]1CCOC1)C1CC1 ZINC000346877060 428356178 /nfs/dbraw/zinc/35/61/78/428356178.db2.gz SCSHSWICDWUDOA-XJKSGUPXSA-N 1 0 304.390 2.932 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000353115798 428388594 /nfs/dbraw/zinc/38/85/94/428388594.db2.gz FGRCELANYVOTRV-GDBMZVCRSA-N 1 0 319.405 2.686 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](CO)C2CC2)o1 ZINC000353134998 428397502 /nfs/dbraw/zinc/39/75/02/428397502.db2.gz WZMSTUCERVNOSO-CYBMUJFWSA-N 1 0 316.357 2.963 20 5 DFBDRO C/C(=C\c1nc(C2([NH3+])CCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000414631032 428362097 /nfs/dbraw/zinc/36/20/97/428362097.db2.gz VZNYSNUTLOKAIN-MDZDMXLPSA-N 1 0 300.318 2.876 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000353053284 428368949 /nfs/dbraw/zinc/36/89/49/428368949.db2.gz SXVQXCNTZUIXKB-SJWGOKEGSA-N 1 0 320.389 2.972 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CC[C@@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342288076 428386061 /nfs/dbraw/zinc/38/60/61/428386061.db2.gz LFCRSFJOKKTEHB-KGLIPLIRSA-N 1 0 318.352 2.976 20 5 DFBDRO CNC(=O)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000360772659 428433919 /nfs/dbraw/zinc/43/39/19/428433919.db2.gz NNTJNFJLZXJZQL-INIZCTEOSA-N 1 0 313.357 2.562 20 5 DFBDRO C[NH2+]CCCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414858745 428436533 /nfs/dbraw/zinc/43/65/33/428436533.db2.gz LARSIMDTGUHMKG-UHFFFAOYSA-N 1 0 319.361 2.563 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372436510 428446108 /nfs/dbraw/zinc/44/61/08/428446108.db2.gz JDJNJDFCKIBPPT-CYBMUJFWSA-N 1 0 319.405 2.764 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000347107627 428450071 /nfs/dbraw/zinc/45/00/71/428450071.db2.gz OHEPPFCBNODYTR-UHFFFAOYSA-N 1 0 303.406 2.867 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342784243 428455841 /nfs/dbraw/zinc/45/58/41/428455841.db2.gz JUJWWOYLKLSYPK-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928661 428461355 /nfs/dbraw/zinc/46/13/55/428461355.db2.gz NDLCKENXFDQNLG-LRDDRELGSA-N 1 0 315.373 2.942 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000295571590 273807233 /nfs/dbraw/zinc/80/72/33/273807233.db2.gz REWTXMPFVQFKPP-CQSZACIVSA-N 1 0 300.362 2.673 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000393335091 428484849 /nfs/dbraw/zinc/48/48/49/428484849.db2.gz YDSAUENDHVURFI-HIFRSBDPSA-N 1 0 315.348 2.913 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342917576 428487266 /nfs/dbraw/zinc/48/72/66/428487266.db2.gz BMTBDZNJVZHXHL-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000372933557 428507924 /nfs/dbraw/zinc/50/79/24/428507924.db2.gz ZYULMRRHQHKTKK-CVEARBPZSA-N 1 0 317.389 2.602 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000357385852 428508612 /nfs/dbraw/zinc/50/86/12/428508612.db2.gz YEXGXMPQILOEQX-UHFFFAOYSA-N 1 0 311.407 2.638 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000353378508 428511229 /nfs/dbraw/zinc/51/12/29/428511229.db2.gz GVNQIIWNPGVHDM-UHFFFAOYSA-N 1 0 319.405 2.932 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398932489 428531779 /nfs/dbraw/zinc/53/17/79/428531779.db2.gz TUNWVTFSSVUUBZ-TUAOUCFPSA-N 1 0 310.781 2.841 20 5 DFBDRO O=C(C[N@@H+]1CCCC12CCC2)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000373098647 428517615 /nfs/dbraw/zinc/51/76/15/428517615.db2.gz KGZCXOLPSCNWPI-UHFFFAOYSA-N 1 0 315.373 2.502 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000343077455 428518369 /nfs/dbraw/zinc/51/83/69/428518369.db2.gz WNBIVZKEOPZBAK-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO CC[C@@H](C)[N@H+](CCO)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000347475196 428587204 /nfs/dbraw/zinc/58/72/04/428587204.db2.gz NBKQFILZAVCFJJ-CYBMUJFWSA-N 1 0 310.394 2.975 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415491483 428589751 /nfs/dbraw/zinc/58/97/51/428589751.db2.gz ZVHVULCLUROIJH-INIZCTEOSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000415496755 428590942 /nfs/dbraw/zinc/59/09/42/428590942.db2.gz GVVHRFUHDFFCHR-HNNXBMFYSA-N 1 0 320.393 2.932 20 5 DFBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)CC(C)(C)O ZINC000353435010 428534017 /nfs/dbraw/zinc/53/40/17/428534017.db2.gz LGSWMJMDLCWNKZ-UHFFFAOYSA-N 1 0 310.394 2.976 20 5 DFBDRO CCC[N@@H+](CC(=O)N(C)C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000347345987 428556821 /nfs/dbraw/zinc/55/68/21/428556821.db2.gz VAGPHCXUWJAEIR-GXDHUFHOSA-N 1 0 319.405 2.798 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415300168 428564199 /nfs/dbraw/zinc/56/41/99/428564199.db2.gz ROIASWMUILBKMG-HNNXBMFYSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415299599 428565058 /nfs/dbraw/zinc/56/50/58/428565058.db2.gz QIZOONSOFKHLKG-OLZOCXBDSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000415419949 428578375 /nfs/dbraw/zinc/57/83/75/428578375.db2.gz RSNMJQXGVUCLFH-WCQYABFASA-N 1 0 306.366 2.542 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000361591493 428580104 /nfs/dbraw/zinc/58/01/04/428580104.db2.gz NPRBUCHOUBPSJR-NWDGAFQWSA-N 1 0 320.315 2.844 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000358417773 428597748 /nfs/dbraw/zinc/59/77/48/428597748.db2.gz YZUGKSHEMCMNFD-ZDUSSCGKSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415582960 428598223 /nfs/dbraw/zinc/59/82/23/428598223.db2.gz QDSZXSNYIRMQMG-OLZOCXBDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415588960 428601504 /nfs/dbraw/zinc/60/15/04/428601504.db2.gz YEVFOMBUUKUKFY-GFCCVEGCSA-N 1 0 308.382 2.851 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000415631491 428606693 /nfs/dbraw/zinc/60/66/93/428606693.db2.gz XEVDMBSVYNJWSZ-UHFFFAOYSA-N 1 0 319.361 2.560 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000408172248 428612616 /nfs/dbraw/zinc/61/26/16/428612616.db2.gz UJVVOPTXCXBGHU-KBPBESRZSA-N 1 0 304.394 2.527 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292905682 274118323 /nfs/dbraw/zinc/11/83/23/274118323.db2.gz WZZIOUOZMASQLJ-MRXNPFEDSA-N 1 0 305.378 2.526 20 5 DFBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000172100901 274190799 /nfs/dbraw/zinc/19/07/99/274190799.db2.gz HQEMGBMSHHDVOC-AWEZNQCLSA-N 1 0 319.405 2.818 20 5 DFBDRO C[C@@H]([N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000177242508 274233430 /nfs/dbraw/zinc/23/34/30/274233430.db2.gz METKULGFNWRHPU-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C[NH3+] ZINC000262561918 274304299 /nfs/dbraw/zinc/30/42/99/274304299.db2.gz VPTODQKSRXKGPM-VXGBXAGGSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000297560088 274370309 /nfs/dbraw/zinc/37/03/09/274370309.db2.gz RLSAGXIRMZHSQZ-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000362327292 428704421 /nfs/dbraw/zinc/70/44/21/428704421.db2.gz XUTFBVSBOHAUKI-BXUZGUMPSA-N 1 0 324.352 2.743 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(N)=O)CCCC1 ZINC000344895069 428720221 /nfs/dbraw/zinc/72/02/21/428720221.db2.gz ZCAKCSDRPACRMZ-UKTHLTGXSA-N 1 0 317.389 2.633 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344628363 428684507 /nfs/dbraw/zinc/68/45/07/428684507.db2.gz ZVYPXURXHKXAPP-AWEZNQCLSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344642947 428689521 /nfs/dbraw/zinc/68/95/21/428689521.db2.gz LXTZYJYOCYZZDL-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[N@@H+]3CC[C@@H](C4CC4)C3)n2)c1 ZINC000362413519 428736549 /nfs/dbraw/zinc/73/65/49/428736549.db2.gz MQSJZYMKSKVXRE-CYBMUJFWSA-N 1 0 314.345 2.877 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)n1 ZINC000374728393 428739930 /nfs/dbraw/zinc/73/99/30/428739930.db2.gz UBOIMAXFRIPRQB-FDMDGMSGSA-N 1 0 312.373 2.969 20 5 DFBDRO CCC(=O)c1ccc(N[C@H]2CCN(C3CC3)C2)c([N+](=O)[O-])c1 ZINC000358953673 428746734 /nfs/dbraw/zinc/74/67/34/428746734.db2.gz OARDTGIIOOZVTD-LBPRGKRZSA-N 1 0 303.362 2.836 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362453898 428752131 /nfs/dbraw/zinc/75/21/31/428752131.db2.gz XXJXCYRYSHTLRH-DOMZBBRYSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000375304441 428849092 /nfs/dbraw/zinc/84/90/92/428849092.db2.gz SUOHHDLXNXDAIP-KHIZAZIESA-N 1 0 317.389 2.611 20 5 DFBDRO COC1CC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000348718934 428820482 /nfs/dbraw/zinc/82/04/82/428820482.db2.gz YQAPXOHUABXAHT-UHFFFAOYSA-N 1 0 316.304 2.805 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1[N+](=O)[O-] ZINC000354025478 428828295 /nfs/dbraw/zinc/82/82/95/428828295.db2.gz DVUKXIYBXYKRSH-MRXNPFEDSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000375256277 428834803 /nfs/dbraw/zinc/83/48/03/428834803.db2.gz OTNOWHYCMZXWMF-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000411682706 428839780 /nfs/dbraw/zinc/83/97/80/428839780.db2.gz GGKMWYMEVQXQLI-AWEZNQCLSA-N 1 0 321.377 2.662 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354084236 428856521 /nfs/dbraw/zinc/85/65/21/428856521.db2.gz DOCCLQVLEMPDHH-CYBMUJFWSA-N 1 0 312.373 2.816 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1OC ZINC000363108597 428858466 /nfs/dbraw/zinc/85/84/66/428858466.db2.gz UINWNWFQEDTUSQ-RYUDHWBXSA-N 1 0 321.377 2.651 20 5 DFBDRO CN(C)c1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348934095 428881887 /nfs/dbraw/zinc/88/18/87/428881887.db2.gz LOIDRVDCJAQJTD-UHFFFAOYSA-N 1 0 314.389 2.626 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000375468625 428891110 /nfs/dbraw/zinc/89/11/10/428891110.db2.gz FRWNDXMVSNKMQF-NILFDRSVSA-N 1 0 308.353 2.979 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354203202 428914837 /nfs/dbraw/zinc/91/48/37/428914837.db2.gz ALQLZXFZAWHYLG-GOEBONIOSA-N 1 0 321.421 2.778 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000345557287 428936115 /nfs/dbraw/zinc/93/61/15/428936115.db2.gz GMPPWKXJBDJKSR-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000162863741 274724032 /nfs/dbraw/zinc/72/40/32/274724032.db2.gz KLGSDGBKUXQVGR-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000420182378 428948561 /nfs/dbraw/zinc/94/85/61/428948561.db2.gz ZOLVTHGNKUDGFQ-LLVKDONJSA-N 1 0 318.402 3.130 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCC[NH2+]C3)n2)cc1 ZINC000420182380 428948775 /nfs/dbraw/zinc/94/87/75/428948775.db2.gz ZOLVTHGNKUDGFQ-NSHDSACASA-N 1 0 318.402 3.130 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000375707288 428949466 /nfs/dbraw/zinc/94/94/66/428949466.db2.gz YBEPDELXUWDQGO-LBPRGKRZSA-N 1 0 304.394 2.630 20 5 DFBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000363632939 428957907 /nfs/dbraw/zinc/95/79/07/428957907.db2.gz LKPXNZVQGRMOPL-IAGOWNOFSA-N 1 0 317.389 2.570 20 5 DFBDRO COCCN(CC[NH+](C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000349316739 428960370 /nfs/dbraw/zinc/96/03/70/428960370.db2.gz OHTGOMJLWZXZGU-QINSGFPZSA-N 1 0 321.421 2.508 20 5 DFBDRO Cc1ccnc(N2CCC([NH2+]C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000363664697 428962100 /nfs/dbraw/zinc/96/21/00/428962100.db2.gz CRIGUXHZDQINNF-UHFFFAOYSA-N 1 0 304.394 2.799 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451901196 429014992 /nfs/dbraw/zinc/01/49/92/429014992.db2.gz LGQHLHXTUDOBIM-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000433284919 429018332 /nfs/dbraw/zinc/01/83/32/429018332.db2.gz HEVNGUSLZKIDRG-BLLLJJGKSA-N 1 0 317.389 2.528 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000354986800 429022216 /nfs/dbraw/zinc/02/22/16/429022216.db2.gz YIUBPLZDRBLXGK-JLJPHGGASA-N 1 0 322.405 2.700 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813198 428983299 /nfs/dbraw/zinc/98/32/99/428983299.db2.gz JFYOOLMPGFUZAM-WFASDCNBSA-N 1 0 318.377 2.685 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451807312 428983706 /nfs/dbraw/zinc/98/37/06/428983706.db2.gz HLGBIOMXCPLANP-AWEZNQCLSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000433060456 428990830 /nfs/dbraw/zinc/99/08/30/428990830.db2.gz HBYFYVPCDSDKEO-WUCCLRPBSA-N 1 0 320.389 2.503 20 5 DFBDRO COC1([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421398601 428992844 /nfs/dbraw/zinc/99/28/44/428992844.db2.gz GQUZKOWRPOLLFP-HZRUHFOJSA-N 1 0 320.389 2.782 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)cc1[N+](=O)[O-] ZINC000423731705 429005377 /nfs/dbraw/zinc/00/53/77/429005377.db2.gz LZQIDDIHFPSNHD-XJKSGUPXSA-N 1 0 317.389 2.542 20 5 DFBDRO O=C(CC[C@@H]1CCC[NH2+]1)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423729742 429005469 /nfs/dbraw/zinc/00/54/69/429005469.db2.gz VLUJYLJPJSXUDG-AWEZNQCLSA-N 1 0 317.389 2.618 20 5 DFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCSC1 ZINC000433195501 429008676 /nfs/dbraw/zinc/00/86/76/429008676.db2.gz VWMMWROLOHERBI-HNNXBMFYSA-N 1 0 310.419 2.939 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451901194 429014533 /nfs/dbraw/zinc/01/45/33/429014533.db2.gz LGQHLHXTUDOBIM-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1=O ZINC000421881291 429044297 /nfs/dbraw/zinc/04/42/97/429044297.db2.gz OYQKNRNQRUYNKQ-ZIAGYGMSSA-N 1 0 319.405 2.812 20 5 DFBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452098944 429055825 /nfs/dbraw/zinc/05/58/25/429055825.db2.gz GJZDUYIOYVOQRU-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423937859 429060599 /nfs/dbraw/zinc/06/05/99/429060599.db2.gz GUEMRHVZKIRPSH-HNNXBMFYSA-N 1 0 319.405 2.966 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424073142 429087312 /nfs/dbraw/zinc/08/73/12/429087312.db2.gz MDIXLCVORGEQLN-HONMWMINSA-N 1 0 319.405 2.657 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413138557 429147360 /nfs/dbraw/zinc/14/73/60/429147360.db2.gz JFCRPXJRZIZLPF-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H]3CCOC3)CC2)c1 ZINC000376354336 429099991 /nfs/dbraw/zinc/09/99/91/429099991.db2.gz RYOCQBIAZDCQQL-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c([N+](=O)[O-])cc1OC ZINC000424197128 429108467 /nfs/dbraw/zinc/10/84/67/429108467.db2.gz NMAIJAAUPGQWLY-QWHCGFSZSA-N 1 0 306.362 2.890 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000089092169 274949363 /nfs/dbraw/zinc/94/93/63/274949363.db2.gz MBNABCFZZCXKAV-WPRPVWTQSA-N 1 0 314.183 2.897 20 5 DFBDRO CCO[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(CC)CC ZINC000434983659 429118814 /nfs/dbraw/zinc/11/88/14/429118814.db2.gz SOIRLKPCNRWHTE-KBPBESRZSA-N 1 0 324.425 2.707 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000424279904 429119292 /nfs/dbraw/zinc/11/92/92/429119292.db2.gz HMCBJZBCRZAPFU-CYGXGOLOSA-N 1 0 304.390 2.931 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363874803 429131654 /nfs/dbraw/zinc/13/16/54/429131654.db2.gz JFQPAJQPVHCYEJ-NXHRZFHOSA-N 1 0 315.417 2.819 20 5 DFBDRO COc1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000487102736 429133176 /nfs/dbraw/zinc/13/31/76/429133176.db2.gz TYKIXLJCHVHEQY-AWEZNQCLSA-N 1 0 311.357 2.519 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413098498 429137479 /nfs/dbraw/zinc/13/74/79/429137479.db2.gz SBBJIPJCRPHYIY-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413123271 429141596 /nfs/dbraw/zinc/14/15/96/429141596.db2.gz MEJFNKZWQZQEIW-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413116465 429141994 /nfs/dbraw/zinc/14/19/94/429141994.db2.gz HNGKNYGHDXGQLN-UHFFFAOYSA-N 1 0 306.288 2.809 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(NCC34CCC[NH+]3CCC4)nc2c1 ZINC000296701315 275037707 /nfs/dbraw/zinc/03/77/07/275037707.db2.gz FBDXBYKTTWNRPH-UHFFFAOYSA-N 1 0 301.350 2.511 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]([NH+]3CCCCC3)C2)c(Cl)c1 ZINC000265449076 275041282 /nfs/dbraw/zinc/04/12/82/275041282.db2.gz AKHVWUBQZJKOTD-NSHDSACASA-N 1 0 310.785 2.708 20 5 DFBDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000436087121 429179393 /nfs/dbraw/zinc/17/93/93/429179393.db2.gz JIYNCVOCSZEKCQ-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722037 429191343 /nfs/dbraw/zinc/19/13/43/429191343.db2.gz NEPNXUKGNOTTBN-DVOMOZLQSA-N 1 0 319.405 2.770 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737793 429192716 /nfs/dbraw/zinc/19/27/16/429192716.db2.gz SGQHFZUSDOYVQH-SLEUVZQESA-N 1 0 307.369 2.900 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488737795 429193771 /nfs/dbraw/zinc/19/37/71/429193771.db2.gz SGQHFZUSDOYVQH-ZOWXZIJZSA-N 1 0 307.369 2.900 20 5 DFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000495603366 429230042 /nfs/dbraw/zinc/23/00/42/429230042.db2.gz MCWJJZOWLSNOGI-LBPRGKRZSA-N 1 0 323.393 2.988 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H]1CC1(C)C ZINC000489453886 429242016 /nfs/dbraw/zinc/24/20/16/429242016.db2.gz YJUIYLPIXQOYET-AWEZNQCLSA-N 1 0 321.377 2.662 20 5 DFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCO[C@H]1C ZINC000489457804 429244168 /nfs/dbraw/zinc/24/41/68/429244168.db2.gz AFZKGGPIKDDUBI-BBRMVZONSA-N 1 0 308.378 2.529 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000364709013 429254065 /nfs/dbraw/zinc/25/40/65/429254065.db2.gz JPYWBUHUMSBZCJ-CQSZACIVSA-N 1 0 309.797 2.918 20 5 DFBDRO CCOC1CC(O)(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000444010627 429262723 /nfs/dbraw/zinc/26/27/23/429262723.db2.gz QGWYUWAGBWPNLC-NTUHNPAUSA-N 1 0 320.389 2.518 20 5 DFBDRO C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C)CCCC1 ZINC000489864422 429264620 /nfs/dbraw/zinc/26/46/20/429264620.db2.gz VGNRGEHLDWXCHZ-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071191 429323671 /nfs/dbraw/zinc/32/36/71/429323671.db2.gz GMZRKQGCQWSUON-UONOGXRCSA-N 1 0 316.405 2.957 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449077309 429325936 /nfs/dbraw/zinc/32/59/36/429325936.db2.gz VOGWMVNIWSDIOU-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449110108 429335185 /nfs/dbraw/zinc/33/51/85/429335185.db2.gz AVTRVQINLRRTBC-UWTIGNOOSA-N 1 0 319.405 2.563 20 5 DFBDRO CC(C)([NH2+]CCO[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000292050373 275552486 /nfs/dbraw/zinc/55/24/86/275552486.db2.gz BLHIJVGENWTDDD-HNNXBMFYSA-N 1 0 308.378 2.963 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449151929 429345211 /nfs/dbraw/zinc/34/52/11/429345211.db2.gz ZCKIZEJANVLHMI-LRDDRELGSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000449164935 429346855 /nfs/dbraw/zinc/34/68/55/429346855.db2.gz RYJAUTHYBPVFAG-CUBALJKWSA-N 1 0 304.390 2.929 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(C)(F)F ZINC000449354600 429394268 /nfs/dbraw/zinc/39/42/68/429394268.db2.gz PLLQMHPZRZCPCO-JTQLQIEISA-N 1 0 315.320 2.947 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1cc(C)c([N+](=O)[O-])cn1 ZINC000365894396 429398154 /nfs/dbraw/zinc/39/81/54/429398154.db2.gz SFWJOVLGUVTYNF-ZIAGYGMSSA-N 1 0 304.394 2.751 20 5 DFBDRO Cc1cccc(N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000517904221 429403424 /nfs/dbraw/zinc/40/34/24/429403424.db2.gz BLWMJNYFTIPZRG-YOEHRIQHSA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1cccc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000517904216 429404237 /nfs/dbraw/zinc/40/42/37/429404237.db2.gz BLWMJNYFTIPZRG-PBHICJAKSA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCn2ccnc21 ZINC000449166586 429349286 /nfs/dbraw/zinc/34/92/86/429349286.db2.gz DXFNBJBXOWFNKK-DZGCQCFKSA-N 1 0 314.389 2.890 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000449193223 429354942 /nfs/dbraw/zinc/35/49/42/429354942.db2.gz VXMPJPPLCWSEAU-PJSAGSTRSA-N 1 0 312.369 2.774 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635347 429356351 /nfs/dbraw/zinc/35/63/51/429356351.db2.gz ZQICEIXFNUQMTQ-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000449222249 429361737 /nfs/dbraw/zinc/36/17/37/429361737.db2.gz VXMPJPPLCWSEAU-RZAIGCCYSA-N 1 0 312.369 2.774 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000426224535 429374829 /nfs/dbraw/zinc/37/48/29/429374829.db2.gz HLRJDPQRSUGRCA-UHFFFAOYSA-N 1 0 322.405 2.991 20 5 DFBDRO Cc1c(C(=O)NC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000457044728 429384469 /nfs/dbraw/zinc/38/44/69/429384469.db2.gz YDTWFEFGTVXQNG-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000457057955 429388573 /nfs/dbraw/zinc/38/85/73/429388573.db2.gz PIEVMIDDYYHAPA-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448672 429454777 /nfs/dbraw/zinc/45/47/77/429454777.db2.gz DFXVXIWPALDABA-WMLDXEAASA-N 1 0 320.389 2.673 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000492036112 429456291 /nfs/dbraw/zinc/45/62/91/429456291.db2.gz YGQXQUREDSFPNW-FLIBITNWSA-N 1 0 319.405 2.798 20 5 DFBDRO Cc1ccc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457177046 429420041 /nfs/dbraw/zinc/42/00/41/429420041.db2.gz OIPXFTCUFZUEOI-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CC[NH+](C)C)C(C)C ZINC000185108237 275729843 /nfs/dbraw/zinc/72/98/43/275729843.db2.gz GFYLYMGCIUIZOK-WYMLVPIESA-N 1 0 319.405 2.797 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449509375 429437587 /nfs/dbraw/zinc/43/75/87/429437587.db2.gz OMPRKFKEWJLKMM-IAGOWNOFSA-N 1 0 304.390 2.790 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)C2CCSCC2)cc1[N+](=O)[O-] ZINC000449682458 429478030 /nfs/dbraw/zinc/47/80/30/429478030.db2.gz HELAUWXGFMEBBZ-UHFFFAOYSA-N 1 0 310.419 2.593 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000519732791 429483349 /nfs/dbraw/zinc/48/33/49/429483349.db2.gz UWRNYGNWFGONRM-OCCSQVGLSA-N 1 0 306.410 2.773 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000519768246 429486783 /nfs/dbraw/zinc/48/67/83/429486783.db2.gz LSUFJVPBALWZEJ-SUMWQHHRSA-N 1 0 300.358 2.849 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000366614502 429487985 /nfs/dbraw/zinc/48/79/85/429487985.db2.gz CYFUAUBOQATZKN-LBPRGKRZSA-N 1 0 316.361 2.706 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000366616459 429488016 /nfs/dbraw/zinc/48/80/16/429488016.db2.gz AWCMEBYXTSSGND-ZDUSSCGKSA-N 1 0 306.362 2.534 20 5 DFBDRO CCOC(=O)C1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000520252865 429507009 /nfs/dbraw/zinc/50/70/09/429507009.db2.gz IZWHOEKYEMVVEH-AWEZNQCLSA-N 1 0 318.373 2.905 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000940 429568701 /nfs/dbraw/zinc/56/87/01/429568701.db2.gz GIMPQATWAIFBSJ-RKVPGOIHSA-N 1 0 317.433 2.799 20 5 DFBDRO CCOc1cc(CN2CC[C@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000492649372 429587028 /nfs/dbraw/zinc/58/70/28/429587028.db2.gz HTNNPGLCPPSOLM-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367307460 429617563 /nfs/dbraw/zinc/61/75/63/429617563.db2.gz IJSVEJOAHARCOY-XNJJOIOASA-N 1 0 314.341 2.740 20 5 DFBDRO CC(C)OCC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429268018 429593369 /nfs/dbraw/zinc/59/33/69/429593369.db2.gz PRMMVAPAWZQIQX-ZDUSSCGKSA-N 1 0 310.394 2.596 20 5 DFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ccc([N+](=O)[O-])nc1 ZINC000450382400 429614392 /nfs/dbraw/zinc/61/43/92/429614392.db2.gz XAZHWRZXVANSMF-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450595904 429655982 /nfs/dbraw/zinc/65/59/82/429655982.db2.gz MTXGGLPLGVZEID-NSHDSACASA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCCO)CC1 ZINC000430209412 429663168 /nfs/dbraw/zinc/66/31/68/429663168.db2.gz XQIGSRWNDGFLAM-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218478 429664068 /nfs/dbraw/zinc/66/40/68/429664068.db2.gz LZDKXKHZYOTPEY-HUUCEWRRSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000430244994 429667731 /nfs/dbraw/zinc/66/77/31/429667731.db2.gz ZIHOAEHVZUNTHO-LBPRGKRZSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1[N+](=O)[O-] ZINC000190001410 276048908 /nfs/dbraw/zinc/04/89/08/276048908.db2.gz YPTBVJUHCHAJBW-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO COc1ccc(OCC[N@H+]2CC(C)=C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000430279925 429671251 /nfs/dbraw/zinc/67/12/51/429671251.db2.gz NTZWOXFFBHGOQK-GFCCVEGCSA-N 1 0 306.362 2.880 20 5 DFBDRO C[C@@H]1CN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H](C)S1 ZINC000525787467 429673445 /nfs/dbraw/zinc/67/34/45/429673445.db2.gz LBIQOLSRYBEBET-PHIMTYICSA-N 1 0 324.402 2.787 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351655504 276330444 /nfs/dbraw/zinc/33/04/44/276330444.db2.gz MHADKWRVRQFNIP-SNVBAGLBSA-N 1 0 312.345 2.586 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000367691992 429701104 /nfs/dbraw/zinc/70/11/04/429701104.db2.gz XBMMORWJRFLTKM-DOERSZECSA-N 1 0 306.362 2.537 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367692409 429701756 /nfs/dbraw/zinc/70/17/56/429701756.db2.gz YVMWGEWSEHRFOB-ZZTPXLKCSA-N 1 0 316.401 2.788 20 5 DFBDRO CC(C)c1cc(NCc2ccccc2[N+](=O)[O-])nc(N(C)C)[nH+]1 ZINC000462377957 429704681 /nfs/dbraw/zinc/70/46/81/429704681.db2.gz QJZRNHGRIUMYQG-UHFFFAOYSA-N 1 0 315.377 3.186 20 5 DFBDRO CC(C)c1cc(NCc2ccc([N+](=O)[O-])cc2)nc(N(C)C)[nH+]1 ZINC000462376839 429704787 /nfs/dbraw/zinc/70/47/87/429704787.db2.gz LDQMOPFMOHCLQL-UHFFFAOYSA-N 1 0 315.377 3.186 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H](C)n3ccnc32)c1 ZINC000450828043 429707792 /nfs/dbraw/zinc/70/77/92/429707792.db2.gz JDOFPKXHHUKFPW-JOYOIKCWSA-N 1 0 316.317 2.696 20 5 DFBDRO CCn1ccnc1[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000450827453 429708917 /nfs/dbraw/zinc/70/89/17/429708917.db2.gz HUUVBEJVUCRHKM-JTQLQIEISA-N 1 0 318.333 2.771 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493210667 429713208 /nfs/dbraw/zinc/71/32/08/429713208.db2.gz WJWTYEQHSYMZRA-TWGQIWQCSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262321 429799701 /nfs/dbraw/zinc/79/97/01/429799701.db2.gz XJTPYSBGLJSPRK-XJKSGUPXSA-N 1 0 322.405 2.975 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000487042393 429762041 /nfs/dbraw/zinc/76/20/41/429762041.db2.gz IKZLIDCGZFGJFH-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000493429512 429762067 /nfs/dbraw/zinc/76/20/67/429762067.db2.gz IPPYESXIYGWGIO-JOZWUWCOSA-N 1 0 317.389 2.599 20 5 DFBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000368028190 429770907 /nfs/dbraw/zinc/77/09/07/429770907.db2.gz ZBKSLPKJEJBTCV-CYBMUJFWSA-N 1 0 308.378 2.689 20 5 DFBDRO COC(=O)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000368316288 429830167 /nfs/dbraw/zinc/83/01/67/429830167.db2.gz PACLSJNXDDJXKV-CQSZACIVSA-N 1 0 306.362 2.534 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451486408 429833538 /nfs/dbraw/zinc/83/35/38/429833538.db2.gz DJTVMURBXZHQGE-BMFZPTHFSA-N 1 0 318.373 2.651 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493811558 429833915 /nfs/dbraw/zinc/83/39/15/429833915.db2.gz AWRONFWZXZAQGD-IZZDOVSWSA-N 1 0 317.389 2.597 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451514196 429838116 /nfs/dbraw/zinc/83/81/16/429838116.db2.gz ZMTPDWRGXKNUQL-HUUCEWRRSA-N 1 0 308.378 2.897 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cccc1[N+](=O)[O-] ZINC000368429528 429847522 /nfs/dbraw/zinc/84/75/22/429847522.db2.gz OOCIRBBOHMUBBQ-QZDOHJIMSA-N 1 0 317.389 2.563 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@@H](C)C2)n1 ZINC000432880679 429848485 /nfs/dbraw/zinc/84/84/85/429848485.db2.gz YCKAXVNHNQAVKX-AWEZNQCLSA-N 1 0 322.409 2.519 20 5 DFBDRO COC(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545162 429849994 /nfs/dbraw/zinc/84/99/94/429849994.db2.gz GTTMEQXJYXYHDH-AWEZNQCLSA-N 1 0 306.362 2.727 20 5 DFBDRO CCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451547642 429850776 /nfs/dbraw/zinc/85/07/76/429850776.db2.gz LHORIPSNIGVEBJ-DZGCQCFKSA-N 1 0 319.405 2.689 20 5 DFBDRO CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(F)ccc1F ZINC000179771716 276584905 /nfs/dbraw/zinc/58/49/05/276584905.db2.gz OGSMBWRIQQAQGM-ZDUSSCGKSA-N 1 0 310.304 2.810 20 5 DFBDRO CC[C@H](C)NC(=O)CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568700 429856840 /nfs/dbraw/zinc/85/68/40/429856840.db2.gz OAKSLHQOBQWFFY-DZGCQCFKSA-N 1 0 319.405 2.689 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451613492 429862421 /nfs/dbraw/zinc/86/24/21/429862421.db2.gz QVTQXBBEUFKOEK-CZUORRHYSA-N 1 0 308.353 2.621 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000368706262 429889443 /nfs/dbraw/zinc/88/94/43/429889443.db2.gz IOAVCIGYUJVJIU-BRWVUGGUSA-N 1 0 320.389 2.719 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2nnc(C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000375853660 276641264 /nfs/dbraw/zinc/64/12/64/276641264.db2.gz XNZFZXXWEFOFLX-ZFWWWQNUSA-N 1 0 315.377 2.550 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC12CCCCC2 ZINC000368896053 429900574 /nfs/dbraw/zinc/90/05/74/429900574.db2.gz LKPNCNLFZHPHFU-CQSZACIVSA-N 1 0 320.389 2.743 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000368904151 429901599 /nfs/dbraw/zinc/90/15/99/429901599.db2.gz IPNGXTYIQVKVLR-HOTGVXAUSA-N 1 0 306.362 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369005733 429906710 /nfs/dbraw/zinc/90/67/10/429906710.db2.gz WCOMLKUULZLNSX-DZGCQCFKSA-N 1 0 305.378 2.508 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000369320723 429923702 /nfs/dbraw/zinc/92/37/02/429923702.db2.gz ANGXEUOLRLIWSJ-CYBMUJFWSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000451700505 429874941 /nfs/dbraw/zinc/87/49/41/429874941.db2.gz GKSNHXVZEOLACM-FVQBIDKESA-N 1 0 304.390 2.886 20 5 DFBDRO C[N@@H+]1CCCC12CCN(CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000369385934 429934425 /nfs/dbraw/zinc/93/44/25/429934425.db2.gz ZHZPMFIXPFDYMB-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO Cc1ccc([C@]2(C)CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000369384344 429934661 /nfs/dbraw/zinc/93/46/61/429934661.db2.gz RDUIWBQEQPGLBA-QGZVFWFLSA-N 1 0 314.389 2.763 20 5 DFBDRO Cc1cc(NCC2CC[NH2+]CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000557310632 429936493 /nfs/dbraw/zinc/93/64/93/429936493.db2.gz MNGRWWNZBHGURL-UHFFFAOYSA-N 1 0 300.362 2.863 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000369470091 429951794 /nfs/dbraw/zinc/95/17/94/429951794.db2.gz VCTJPAAKWHPCPR-HOCLYGCPSA-N 1 0 306.362 2.747 20 5 DFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[NH+]1CCCC1 ZINC000184915484 276823657 /nfs/dbraw/zinc/82/36/57/276823657.db2.gz CXQVVVMOQBRODR-YPKPFQOOSA-N 1 0 317.389 2.600 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000263984556 276837551 /nfs/dbraw/zinc/83/75/51/276837551.db2.gz CUFKUIHLXXRRSI-SNVBAGLBSA-N 1 0 303.284 2.754 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000580929363 430162647 /nfs/dbraw/zinc/16/26/47/430162647.db2.gz YGWBTTRNLBZKOH-ZDUSSCGKSA-N 1 0 307.394 2.546 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562397865 430127781 /nfs/dbraw/zinc/12/77/81/430127781.db2.gz XCDQZBDCKPYUCG-KBPBESRZSA-N 1 0 319.405 2.689 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000368674024 277082620 /nfs/dbraw/zinc/08/26/20/277082620.db2.gz XXJNERJIIYTFMP-QWHCGFSZSA-N 1 0 320.349 2.566 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]21 ZINC000581360421 430201274 /nfs/dbraw/zinc/20/12/74/430201274.db2.gz DHDSMTFHGHRIII-BYCMXARLSA-N 1 0 312.373 2.707 20 5 DFBDRO CN1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000279176984 277194548 /nfs/dbraw/zinc/19/45/48/277194548.db2.gz VGSHIRFSAOUGGY-XHDPSFHLSA-N 1 0 317.389 2.528 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000566679582 430270605 /nfs/dbraw/zinc/27/06/05/430270605.db2.gz ZNSVULKIQOBUAM-QWRGUYRKSA-N 1 0 318.352 3.334 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000567799429 430290204 /nfs/dbraw/zinc/29/02/04/430290204.db2.gz OYCOVEUKYQOLHT-AWEZNQCLSA-N 1 0 313.357 2.988 20 5 DFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000182253756 277564775 /nfs/dbraw/zinc/56/47/75/277564775.db2.gz XJGGGBWDYYXDNB-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000568881961 430402854 /nfs/dbraw/zinc/40/28/54/430402854.db2.gz ZVFNNWXTSJHRPH-AWEZNQCLSA-N 1 0 313.357 2.988 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569343167 430446680 /nfs/dbraw/zinc/44/66/80/430446680.db2.gz VCHQFYFVXNUHQM-RKDXNWHRSA-N 1 0 307.375 2.665 20 5 DFBDRO CC1(C)CC(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000599259085 430529196 /nfs/dbraw/zinc/52/91/96/430529196.db2.gz KLNZOPCDSBOZNY-UHFFFAOYSA-N 1 0 304.394 2.548 20 5 DFBDRO COc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])cc1F ZINC000261661084 277824952 /nfs/dbraw/zinc/82/49/52/277824952.db2.gz GGERFTHGPKGJNZ-CYBMUJFWSA-N 1 0 323.368 2.711 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000286326468 277938301 /nfs/dbraw/zinc/93/83/01/277938301.db2.gz LFEFTBMBDQEEFK-CHWSQXEVSA-N 1 0 305.378 2.666 20 5 DFBDRO COc1cc(C[NH2+]CC(C)(C)C(F)(F)F)c([N+](=O)[O-])cc1O ZINC000554655647 430648989 /nfs/dbraw/zinc/64/89/89/430648989.db2.gz MPLNTMXFPZKHJN-UHFFFAOYSA-N 1 0 322.283 2.987 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000187776471 278021755 /nfs/dbraw/zinc/02/17/55/278021755.db2.gz OTEAMXXSNBVTMJ-AWEZNQCLSA-N 1 0 319.405 2.884 20 5 DFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274672782 278167958 /nfs/dbraw/zinc/16/79/58/278167958.db2.gz LWPKVGGEBLWPBD-GJZGRUSLSA-N 1 0 307.419 2.611 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000262008981 278228171 /nfs/dbraw/zinc/22/81/71/278228171.db2.gz WCPAOQNPYHTAEB-NWDGAFQWSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000132477508 278314466 /nfs/dbraw/zinc/31/44/66/278314466.db2.gz ZYSSBZKSLLWGGE-RKDXNWHRSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000192770443 278371605 /nfs/dbraw/zinc/37/16/05/278371605.db2.gz OVWBTNXCDHWNCR-IAQYHMDHSA-N 1 0 319.405 2.865 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])N1CCCCC1 ZINC000572985183 430699010 /nfs/dbraw/zinc/69/90/10/430699010.db2.gz ZFHDLDVWRGHNAW-OAHLLOKOSA-N 1 0 317.389 2.574 20 5 DFBDRO COC(C)(C)C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000572993221 430699291 /nfs/dbraw/zinc/69/92/91/430699291.db2.gz TYDZAZNDNOLBDE-GFCCVEGCSA-N 1 0 323.393 2.717 20 5 DFBDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271471328 279271471 /nfs/dbraw/zinc/27/14/71/279271471.db2.gz IXPVYTXTVLZJRQ-AVKZDSLQSA-N 1 0 324.446 2.663 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000185520294 279305113 /nfs/dbraw/zinc/30/51/13/279305113.db2.gz VDBRPQFHJAEKQB-CYBMUJFWSA-N 1 0 320.393 2.981 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000246644541 279345289 /nfs/dbraw/zinc/34/52/89/279345289.db2.gz UUSHKYCAIVAALK-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261989684 279420096 /nfs/dbraw/zinc/42/00/96/279420096.db2.gz SUGWCJVNFGAUHC-AAEUAGOBSA-N 1 0 300.362 2.707 20 5 DFBDRO O=C(c1cc2ccccc2c2cccnc12)N1CCC[NH2+]CC1 ZINC000237872892 280172682 /nfs/dbraw/zinc/17/26/82/280172682.db2.gz LABPNDUFYHLPKB-UHFFFAOYSA-N 1 0 305.381 2.824 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2CO)cc1 ZINC000365165792 280364390 /nfs/dbraw/zinc/36/43/90/280364390.db2.gz CNPCCYLJEDNQPK-QAPCUYQASA-N 1 0 312.369 2.980 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189075585 280366484 /nfs/dbraw/zinc/36/64/84/280366484.db2.gz MQVKTTCKJDIRCA-CYBMUJFWSA-N 1 0 320.349 2.568 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCCC3)C2)n1 ZINC000408172496 280399203 /nfs/dbraw/zinc/39/92/03/280399203.db2.gz XBDPGWYZPSPYAF-AWEZNQCLSA-N 1 0 304.394 2.671 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000364020399 281016269 /nfs/dbraw/zinc/01/62/69/281016269.db2.gz PVFFTWUONCPFPD-CVEARBPZSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292064158 281022751 /nfs/dbraw/zinc/02/27/51/281022751.db2.gz CXUIZOFSPAASLK-YOEHRIQHSA-N 1 0 303.406 2.992 20 5 DFBDRO Cc1cccc(C(=O)NCCCCC[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000294039248 281193955 /nfs/dbraw/zinc/19/39/55/281193955.db2.gz XEWJQWPERIZGQF-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276681996 288314331 /nfs/dbraw/zinc/31/43/31/288314331.db2.gz VELVEZWRYIGWEL-OCCSQVGLSA-N 1 0 312.373 2.816 20 5 DFBDRO COc1ccc([C@@H]2CCCN2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000363357644 289083095 /nfs/dbraw/zinc/08/30/95/289083095.db2.gz UJHGTEUNZKADTC-AWEZNQCLSA-N 1 0 316.361 2.674 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC[C@H]([NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415700577 289121494 /nfs/dbraw/zinc/12/14/94/289121494.db2.gz MVOBWZZEVJXVGE-ZDUSSCGKSA-N 1 0 320.393 2.751 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C12CCC[NH+]1CCC2 ZINC000415712026 289122904 /nfs/dbraw/zinc/12/29/04/289122904.db2.gz PLPPNQAAARFIPP-UHFFFAOYSA-N 1 0 303.362 2.724 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415755345 289130489 /nfs/dbraw/zinc/13/04/89/289130489.db2.gz COXJOBPZPHNZTL-OLZOCXBDSA-N 1 0 318.377 2.515 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415756861 289131070 /nfs/dbraw/zinc/13/10/70/289131070.db2.gz FPTVBEOHHJQTCO-LBPRGKRZSA-N 1 0 320.393 2.668 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415759006 289131298 /nfs/dbraw/zinc/13/12/98/289131298.db2.gz IFQLRHAGOVCCLX-CQSZACIVSA-N 1 0 320.393 2.763 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000415766736 289133135 /nfs/dbraw/zinc/13/31/35/289133135.db2.gz SQAQNZNHVPFVTH-INIZCTEOSA-N 1 0 320.393 2.668 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000435752615 296971961 /nfs/dbraw/zinc/97/19/61/296971961.db2.gz YRCGHCJPRVXICS-SNMYMPMCSA-N 1 0 322.430 2.889 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@@H]1CCCC[N@@H+]1C1CC1)CCN2 ZINC000436428974 297002674 /nfs/dbraw/zinc/00/26/74/297002674.db2.gz LEBGCOJSGCTWOX-ZDUSSCGKSA-N 1 0 316.405 2.992 20 5 DFBDRO COc1cccc(N2CCC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000368389371 295305112 /nfs/dbraw/zinc/30/51/12/295305112.db2.gz IENHIEHABAEZDU-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO COCCN1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154849828 295307706 /nfs/dbraw/zinc/30/77/06/295307706.db2.gz WLKSSWVLNDKMKP-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000155014939 295310881 /nfs/dbraw/zinc/31/08/81/295310881.db2.gz LFAGAWXOVXNPDK-RUNBWSAHSA-N 1 0 319.405 2.701 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000158290252 295361029 /nfs/dbraw/zinc/36/10/29/295361029.db2.gz FTLDYIXFZMMAHJ-CYBMUJFWSA-N 1 0 302.378 2.920 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000163135897 295420481 /nfs/dbraw/zinc/42/04/81/295420481.db2.gz QQUAOFFJDJTISD-GFCCVEGCSA-N 1 0 300.362 2.907 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@]1(C)C[NH3+] ZINC000390035987 295477981 /nfs/dbraw/zinc/47/79/81/295477981.db2.gz AKEGKGADCNMIKU-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO CCCCNC(=O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000411472283 295541544 /nfs/dbraw/zinc/54/15/44/295541544.db2.gz HANCARRDHNFMNR-OAHLLOKOSA-N 1 0 307.394 2.942 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNCC1([NH+](C)C)CCC1 ZINC000438341099 297088929 /nfs/dbraw/zinc/08/89/29/297088929.db2.gz IWWGBPNRAWZPBG-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO C[C@@H](c1cccnc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440509491 297154609 /nfs/dbraw/zinc/15/46/09/297154609.db2.gz WREDPGATPAWARG-GXTWGEPZSA-N 1 0 313.361 2.632 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000441293814 297179357 /nfs/dbraw/zinc/17/93/57/297179357.db2.gz MVLNKMINPAIQFZ-CVEARBPZSA-N 1 0 304.390 2.886 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764398 297204914 /nfs/dbraw/zinc/20/49/14/297204914.db2.gz KMITUOPHVHCKRH-STQMWFEESA-N 1 0 307.394 2.551 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000443308102 297218843 /nfs/dbraw/zinc/21/88/43/297218843.db2.gz JMLFGOGDOPKMCI-YWPYICTPSA-N 1 0 308.378 2.585 20 5 DFBDRO C[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO[C@H]1C1CC1 ZINC000444688336 297245197 /nfs/dbraw/zinc/24/51/97/297245197.db2.gz JDVHREWUKQMCRY-HOTGVXAUSA-N 1 0 316.361 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3Cc4ccccc4C3)nc2c1 ZINC000446837766 297287889 /nfs/dbraw/zinc/28/78/89/297287889.db2.gz ANYOWKSUXUPNJG-UHFFFAOYSA-N 1 0 308.341 2.728 20 5 DFBDRO COC[C@@H](CC(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446858064 297289009 /nfs/dbraw/zinc/28/90/09/297289009.db2.gz YJBMGAMWFFXCFZ-LLVKDONJSA-N 1 0 306.366 2.622 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447527534 297306728 /nfs/dbraw/zinc/30/67/28/297306728.db2.gz GOLREARDVNLVSZ-HUUCEWRRSA-N 1 0 315.377 2.768 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000447560538 297308421 /nfs/dbraw/zinc/30/84/21/297308421.db2.gz DPBBKHZOXBIOQD-MGPQQGTHSA-N 1 0 324.425 2.926 20 5 DFBDRO CCCN(CC)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562594 297308569 /nfs/dbraw/zinc/30/85/69/297308569.db2.gz MKTBOGDSFMTWFI-GJZGRUSLSA-N 1 0 323.441 2.597 20 5 DFBDRO CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585867 297309407 /nfs/dbraw/zinc/30/94/07/297309407.db2.gz KLXPZUFBSLGZIF-KGLIPLIRSA-N 1 0 324.425 2.663 20 5 DFBDRO COCCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447584600 297309416 /nfs/dbraw/zinc/30/94/16/297309416.db2.gz GPPLDICOKXDLMO-UONOGXRCSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cscn2)n1 ZINC000447584128 297309607 /nfs/dbraw/zinc/30/96/07/297309607.db2.gz DYYNKMQEFXPTTG-STQMWFEESA-N 1 0 321.406 2.564 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447594273 297309901 /nfs/dbraw/zinc/30/99/01/297309901.db2.gz XXQDKWFPQOGAAW-GVDBMIGSSA-N 1 0 320.389 2.756 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602929 297310259 /nfs/dbraw/zinc/31/02/59/297310259.db2.gz WFTDGYBQMXFJNB-STQMWFEESA-N 1 0 310.398 2.680 20 5 DFBDRO CC1(C)CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000447599160 297310284 /nfs/dbraw/zinc/31/02/84/297310284.db2.gz WZAUIILOUKBSPD-RDBSUJKOSA-N 1 0 322.409 2.822 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000447692670 297313451 /nfs/dbraw/zinc/31/34/51/297313451.db2.gz HJVANRIPKISEPT-IINYFYTJSA-N 1 0 303.366 2.612 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000447846252 297320830 /nfs/dbraw/zinc/32/08/30/297320830.db2.gz XMCDDJQHRCUIIG-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1n[nH]cc1CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449075377 297401483 /nfs/dbraw/zinc/40/14/83/297401483.db2.gz MUYPFUXBHUPRJN-GFCCVEGCSA-N 1 0 302.378 2.780 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000449342110 297449552 /nfs/dbraw/zinc/44/95/52/297449552.db2.gz ZBUXUZPNNRIHIT-NWDGAFQWSA-N 1 0 301.346 2.977 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000449423838 297463887 /nfs/dbraw/zinc/46/38/87/297463887.db2.gz OSXYDFXTWGPNMU-CDMKHQONSA-N 1 0 302.321 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449514970 297484518 /nfs/dbraw/zinc/48/45/18/297484518.db2.gz ZGGZIIGWCMBBHA-DWYBTNDWSA-N 1 0 316.401 2.995 20 5 DFBDRO COc1cc(C[NH2+]CCC[C@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000449679719 297511401 /nfs/dbraw/zinc/51/14/01/297511401.db2.gz FCDDDHACIWBHOT-LBPRGKRZSA-N 1 0 324.377 2.518 20 5 DFBDRO Cc1nc(NCC2([NH+](C)C)CCCCCC2)ncc1[N+](=O)[O-] ZINC000450225730 297600545 /nfs/dbraw/zinc/60/05/45/297600545.db2.gz ZKHCONNNEAYULQ-UHFFFAOYSA-N 1 0 307.398 2.760 20 5 DFBDRO CC(C)(C)CC(C)(C)[NH+]1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000450882259 297707022 /nfs/dbraw/zinc/70/70/22/297707022.db2.gz SWFBSGZRRFFJTK-UHFFFAOYSA-N 1 0 321.425 2.722 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H](C)C1 ZINC000452064108 297918821 /nfs/dbraw/zinc/91/88/21/297918821.db2.gz YWELXEFPMBDBGE-HZSPNIEDSA-N 1 0 307.394 2.561 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000453213158 298071431 /nfs/dbraw/zinc/07/14/31/298071431.db2.gz OHMDEEWIXPJJBD-CYBMUJFWSA-N 1 0 308.378 2.577 20 5 DFBDRO CCN1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1=O ZINC000453372758 298087664 /nfs/dbraw/zinc/08/76/64/298087664.db2.gz VEBGSQRSJOYBJK-XHDPSFHLSA-N 1 0 317.389 2.528 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000453382880 298088771 /nfs/dbraw/zinc/08/87/71/298088771.db2.gz LTQWVOUZBXXMHW-DOTOQJQBSA-N 1 0 304.390 2.667 20 5 DFBDRO CCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)COC1 ZINC000453388778 298089531 /nfs/dbraw/zinc/08/95/31/298089531.db2.gz WUYCBMIMUDWOAR-OAHLLOKOSA-N 1 0 304.390 2.932 20 5 DFBDRO CON1CCC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000453627239 298106654 /nfs/dbraw/zinc/10/66/54/298106654.db2.gz UNGZZMZPDZMNDW-FNORWQNLSA-N 1 0 305.378 2.566 20 5 DFBDRO CON1CCC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000453627237 298106813 /nfs/dbraw/zinc/10/68/13/298106813.db2.gz UNGZZMZPDZMNDW-ALCCZGGFSA-N 1 0 305.378 2.566 20 5 DFBDRO CC[NH+](CC)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456174647 298465159 /nfs/dbraw/zinc/46/51/59/298465159.db2.gz HHTNBTQGQOBYAT-UHFFFAOYSA-N 1 0 308.382 2.695 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000515388400 300304472 /nfs/dbraw/zinc/30/44/72/300304472.db2.gz ATIKAWJITVONAJ-BLLLJJGKSA-N 1 0 301.390 2.656 20 5 DFBDRO [NH3+]CCN(Cc1cnc(C2CC2)s1)c1ccccc1[N+](=O)[O-] ZINC000516037513 300327441 /nfs/dbraw/zinc/32/74/41/300327441.db2.gz CFADKVMRRJRGLZ-UHFFFAOYSA-N 1 0 318.402 2.894 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000516563499 300348777 /nfs/dbraw/zinc/34/87/77/300348777.db2.gz JURSHKQPBTZSGF-WBVHZDCISA-N 1 0 322.405 2.893 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000516860124 300364031 /nfs/dbraw/zinc/36/40/31/300364031.db2.gz CUBLUCPJIBIUMT-CYBMUJFWSA-N 1 0 319.405 2.546 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000521845501 300537758 /nfs/dbraw/zinc/53/77/58/300537758.db2.gz QTNZTTYJEWDRSL-PBHICJAKSA-N 1 0 319.405 2.626 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000527137639 300639825 /nfs/dbraw/zinc/63/98/25/300639825.db2.gz INHRVCYDUAQGNJ-ZDUSSCGKSA-N 1 0 319.405 2.932 20 5 DFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000530627349 301060326 /nfs/dbraw/zinc/06/03/26/301060326.db2.gz UVLIMYLMYZUKDL-GFCCVEGCSA-N 1 0 318.352 2.532 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000531911427 301118567 /nfs/dbraw/zinc/11/85/67/301118567.db2.gz QLUGETKFOJBEJJ-CVEARBPZSA-N 1 0 305.378 2.650 20 5 DFBDRO CO[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532239530 301139018 /nfs/dbraw/zinc/13/90/18/301139018.db2.gz CATMHUWLUAFXFN-WFASDCNBSA-N 1 0 323.393 2.573 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000532246607 301139588 /nfs/dbraw/zinc/13/95/88/301139588.db2.gz XKDWHAAZUGQIIL-AAEUAGOBSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000532585036 301161552 /nfs/dbraw/zinc/16/15/52/301161552.db2.gz RIVWMNHVUPILAL-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000532585023 301161559 /nfs/dbraw/zinc/16/15/59/301161559.db2.gz RIVWMNHVUPILAL-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000533527467 301205464 /nfs/dbraw/zinc/20/54/64/301205464.db2.gz HIMFEANMCZIMFO-UHFFFAOYSA-N 1 0 306.362 2.950 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000535316062 301253268 /nfs/dbraw/zinc/25/32/68/301253268.db2.gz SXLJJZRLJNCXLN-JSGCOSHPSA-N 1 0 300.362 2.879 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000536852839 301291613 /nfs/dbraw/zinc/29/16/13/301291613.db2.gz QVHRPZSAIFTIPS-YPMHNXCESA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000536840380 301291668 /nfs/dbraw/zinc/29/16/68/301291668.db2.gz PHMSEYXUHQHGDX-ZJUUUORDSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000536852835 301291819 /nfs/dbraw/zinc/29/18/19/301291819.db2.gz QVHRPZSAIFTIPS-DGCLKSJQSA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000537511763 301301097 /nfs/dbraw/zinc/30/10/97/301301097.db2.gz VLEPXQSKNIFLOK-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000537511764 301301254 /nfs/dbraw/zinc/30/12/54/301301254.db2.gz VLEPXQSKNIFLOK-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541533760 301388809 /nfs/dbraw/zinc/38/88/09/301388809.db2.gz BTXFUQUWDYRNQV-HUUCEWRRSA-N 1 0 318.421 2.938 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000373077604 302037956 /nfs/dbraw/zinc/03/79/56/302037956.db2.gz CMSFEBYYLAPINO-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2NCc1nccn1C(F)F ZINC000563415647 302069636 /nfs/dbraw/zinc/06/96/36/302069636.db2.gz FAYSHLOPHHKOGD-NSHDSACASA-N 1 0 308.288 2.964 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000563773765 302097125 /nfs/dbraw/zinc/09/71/25/302097125.db2.gz ZNASTAALWQKAFJ-LAJNKCICSA-N 1 0 310.419 2.855 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564118879 302119708 /nfs/dbraw/zinc/11/97/08/302119708.db2.gz SKDRNSUXWOCNEI-RDBSUJKOSA-N 1 0 308.378 2.503 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000565039088 302187309 /nfs/dbraw/zinc/18/73/09/302187309.db2.gz WZFPCGZACAFNKV-ZIAGYGMSSA-N 1 0 317.389 2.603 20 5 DFBDRO CCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000565169395 302201306 /nfs/dbraw/zinc/20/13/06/302201306.db2.gz FDAATWFHDAJURI-UHFFFAOYSA-N 1 0 305.378 2.604 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CSC1(C)C ZINC000565410388 302223504 /nfs/dbraw/zinc/22/35/04/302223504.db2.gz ORCQWUQCSIPVPG-MFKMUULPSA-N 1 0 323.418 2.796 20 5 DFBDRO Cc1ccnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150893731 302270531 /nfs/dbraw/zinc/27/05/31/302270531.db2.gz UUOFZVHWYURCGS-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000566839442 302315600 /nfs/dbraw/zinc/31/56/00/302315600.db2.gz XDZCRWYDWNVDLQ-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1cnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000292316457 302350571 /nfs/dbraw/zinc/35/05/71/302350571.db2.gz OOXIBVIQHBSESJ-ZDUSSCGKSA-N 1 0 304.394 2.609 20 5 DFBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000567689746 302380225 /nfs/dbraw/zinc/38/02/25/302380225.db2.gz PWHFCYFWBHBJDU-RBSFLKMASA-N 1 0 322.405 2.893 20 5 DFBDRO O=C(CC[NH2+]C[C@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000569214806 302505566 /nfs/dbraw/zinc/50/55/66/302505566.db2.gz UDDPYJRHCXIINB-GFCCVEGCSA-N 1 0 323.418 2.656 20 5 DFBDRO CC(C)(C)OCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000569553472 302524968 /nfs/dbraw/zinc/52/49/68/302524968.db2.gz RBKGVZSOKBLHRG-OLZOCXBDSA-N 1 0 310.398 2.680 20 5 DFBDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570155727 302558672 /nfs/dbraw/zinc/55/86/72/302558672.db2.gz SBIORLWROKRICS-HOCLYGCPSA-N 1 0 305.378 2.948 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000570552770 302579276 /nfs/dbraw/zinc/57/92/76/302579276.db2.gz XWBISNUVMGFESA-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000044559446 303396696 /nfs/dbraw/zinc/39/66/96/303396696.db2.gz CBFKRRMRHSIHJN-JTQLQIEISA-N 1 0 303.284 2.931 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000180827034 316043662 /nfs/dbraw/zinc/04/36/62/316043662.db2.gz HNWIMRFCJKBWME-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000181861702 316075410 /nfs/dbraw/zinc/07/54/10/316075410.db2.gz JCLWTWUQINQUHR-OAHLLOKOSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000182225964 316090933 /nfs/dbraw/zinc/09/09/33/316090933.db2.gz GVEFJGCSHRYZLT-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182295352 316094650 /nfs/dbraw/zinc/09/46/50/316094650.db2.gz VMCKNWKPJMQNDM-UKRRQHHQSA-N 1 0 324.377 2.529 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000183351049 316139032 /nfs/dbraw/zinc/13/90/32/316139032.db2.gz AZLWZUAENSXJBX-GOSISDBHSA-N 1 0 312.369 2.995 20 5 DFBDRO Cc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000183708642 316150718 /nfs/dbraw/zinc/15/07/18/316150718.db2.gz JJCGICLGVZDZRJ-AWEZNQCLSA-N 1 0 315.373 2.724 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(C(C)(C)C)cs1 ZINC000184460225 316166724 /nfs/dbraw/zinc/16/67/24/316166724.db2.gz OIZSDHDQZDHLJP-JTQLQIEISA-N 1 0 323.422 2.896 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000318819182 316249979 /nfs/dbraw/zinc/24/99/79/316249979.db2.gz JUDIWERUNSHMLW-GJZGRUSLSA-N 1 0 308.378 2.767 20 5 DFBDRO Cc1cc(-c2noc(CC3CC[NH+](C)CC3)n2)cc([N+](=O)[O-])c1 ZINC000351147853 316475993 /nfs/dbraw/zinc/47/59/93/316475993.db2.gz PIBVXDCBYVTQOK-UHFFFAOYSA-N 1 0 316.361 2.838 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CS[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000414497246 316610504 /nfs/dbraw/zinc/61/05/04/316610504.db2.gz FOEGJCNRNPRNHP-MWLCHTKSSA-N 1 0 312.391 2.596 20 5 DFBDRO COc1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1[N+](=O)[O-] ZINC000414520543 316617083 /nfs/dbraw/zinc/61/70/83/316617083.db2.gz ZIXNRUGFVZBBFA-UHFFFAOYSA-N 1 0 308.378 2.898 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234351 316708044 /nfs/dbraw/zinc/70/80/44/316708044.db2.gz QFQSYUNKNNAUKG-XUJVJEKNSA-N 1 0 320.393 2.567 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000421869961 316777995 /nfs/dbraw/zinc/77/79/95/316777995.db2.gz FFILCWFYQSHMOC-KBPBESRZSA-N 1 0 319.405 2.812 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000434791924 316914825 /nfs/dbraw/zinc/91/48/25/316914825.db2.gz DUGGLCOETKMXOF-GXTWGEPZSA-N 1 0 314.769 2.532 20 5 DFBDRO CC1(C)CCCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000446061100 317000238 /nfs/dbraw/zinc/00/02/38/317000238.db2.gz KLFXDQLXUAKIPH-CQSZACIVSA-N 1 0 322.405 2.847 20 5 DFBDRO CSc1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449639365 317045648 /nfs/dbraw/zinc/04/56/48/317045648.db2.gz OQAXGSQDWBLWSH-ZYHUDNBSSA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1 ZINC000451427930 317109409 /nfs/dbraw/zinc/10/94/09/317109409.db2.gz VZYMWLGMLPMSHE-BRWVUGGUSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cn1 ZINC000453593548 317192931 /nfs/dbraw/zinc/19/29/31/317192931.db2.gz GQBPXQMTEZCDFH-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO COc1c(C(=O)NCc2cnc(C)cc2C)cccc1[N+](=O)[O-] ZINC000456833947 317255961 /nfs/dbraw/zinc/25/59/61/317255961.db2.gz GZLZSEWPHWJLSF-UHFFFAOYSA-N 1 0 315.329 2.545 20 5 DFBDRO CC[C@H]([NH2+]CCN1CCO[C@H](CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000494472544 317654516 /nfs/dbraw/zinc/65/45/16/317654516.db2.gz HBFHFWUTEHAZTQ-SJORKVTESA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(O)cc(F)c2)cc1 ZINC000547436114 317848318 /nfs/dbraw/zinc/84/83/18/317848318.db2.gz XRUWDCMJPKBQIW-UHFFFAOYSA-N 1 0 306.293 2.608 20 5 DFBDRO COCC[C@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000573234225 318014392 /nfs/dbraw/zinc/01/43/92/318014392.db2.gz QPLCZQMJIZJQOF-AWEZNQCLSA-N 1 0 314.769 2.533 20 5 DFBDRO Cn1cncc1CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000574816351 318042432 /nfs/dbraw/zinc/04/24/32/318042432.db2.gz SJWFUBNFNPUYAQ-GFCCVEGCSA-N 1 0 314.267 2.722 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1 ZINC000575981066 318095567 /nfs/dbraw/zinc/09/55/67/318095567.db2.gz YIMUEJDLDPCDGZ-MFKMUULPSA-N 1 0 323.418 2.659 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000576443677 318126383 /nfs/dbraw/zinc/12/63/83/318126383.db2.gz YKVLPNXQMMGAMN-IHRRRGAJSA-N 1 0 319.405 2.639 20 5 DFBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576578387 318135287 /nfs/dbraw/zinc/13/52/87/318135287.db2.gz QCVXJVUZAGFNOJ-BHYGNILZSA-N 1 0 322.405 2.749 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000577153065 318174141 /nfs/dbraw/zinc/17/41/41/318174141.db2.gz BAVRTNSXQIKXCF-ZDUSSCGKSA-N 1 0 322.409 2.514 20 5 DFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1[C@H]1CCCO1 ZINC000577904747 318225215 /nfs/dbraw/zinc/22/52/15/318225215.db2.gz URJVVBHJIITHIS-HZPDHXFCSA-N 1 0 320.389 2.863 20 5 DFBDRO COCCn1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000578028244 318233584 /nfs/dbraw/zinc/23/35/84/318233584.db2.gz VPMMHBOQIXTBFC-ZDUSSCGKSA-N 1 0 318.377 2.597 20 5 DFBDRO CC1(C)CC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000578080101 318236627 /nfs/dbraw/zinc/23/66/27/318236627.db2.gz MRXWNRUMMWFOBA-LBPRGKRZSA-N 1 0 311.769 2.965 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cnc2n1CCCC2 ZINC000578083132 318236941 /nfs/dbraw/zinc/23/69/41/318236941.db2.gz MHNCCTFHWUPOPC-OAHLLOKOSA-N 1 0 312.373 2.905 20 5 DFBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000578266046 318249038 /nfs/dbraw/zinc/24/90/38/318249038.db2.gz SGAZSLUWWDFEHR-CYBMUJFWSA-N 1 0 319.405 2.994 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000578906170 318294744 /nfs/dbraw/zinc/29/47/44/318294744.db2.gz JWCRXJUVMAGIBB-DMDPSCGWSA-N 1 0 318.295 2.874 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2CC[NH3+])c1 ZINC000579101468 318307132 /nfs/dbraw/zinc/30/71/32/318307132.db2.gz XNGFHVQNFBNNQV-LLVKDONJSA-N 1 0 323.418 2.660 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1[N+](=O)[O-] ZINC000579907054 318361392 /nfs/dbraw/zinc/36/13/92/318361392.db2.gz WQIMNSXOUJALDE-WFASDCNBSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579972178 318367518 /nfs/dbraw/zinc/36/75/18/318367518.db2.gz PHXHWFCHUUKIPA-OAHLLOKOSA-N 1 0 300.362 2.836 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000382418271 323298212 /nfs/dbraw/zinc/29/82/12/323298212.db2.gz IIOFRFHPYIEVKF-BDAKNGLRSA-N 1 0 314.183 2.897 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000382461271 323299331 /nfs/dbraw/zinc/29/93/31/323299331.db2.gz WDXREOJGTDRCOJ-SFYZADRCSA-N 1 0 304.272 2.548 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc([N+](=O)[O-])nc1 ZINC000389805090 323338426 /nfs/dbraw/zinc/33/84/26/323338426.db2.gz AFUPIEXAJNGLPW-XJKSGUPXSA-N 1 0 312.373 2.922 20 5 DFBDRO COc1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000389992138 323340753 /nfs/dbraw/zinc/34/07/53/323340753.db2.gz FSLXNMFQNTYMED-GJZGRUSLSA-N 1 0 319.405 2.710 20 5 DFBDRO CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000580843200 323442789 /nfs/dbraw/zinc/44/27/89/323442789.db2.gz BSZALRVTHZCRLT-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(N2CCC3(CC[NH2+]3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000582175416 323627841 /nfs/dbraw/zinc/62/78/41/323627841.db2.gz JRHHXLIUOUUSPS-UHFFFAOYSA-N 1 0 312.373 2.784 20 5 DFBDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582324551 323651609 /nfs/dbraw/zinc/65/16/09/323651609.db2.gz YBPRHSWQDQLIMZ-NHYWBVRUSA-N 1 0 303.362 2.633 20 5 DFBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583510308 323869939 /nfs/dbraw/zinc/86/99/39/323869939.db2.gz ODHSSPKHYQPWNN-GJZGRUSLSA-N 1 0 312.373 2.983 20 5 DFBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583510309 323870398 /nfs/dbraw/zinc/87/03/98/323870398.db2.gz ODHSSPKHYQPWNN-HUUCEWRRSA-N 1 0 312.373 2.983 20 5 DFBDRO COc1cc(CNc2ccc3c([nH+]2)CCC3)c([N+](=O)[O-])cc1O ZINC000294808539 533912991 /nfs/dbraw/zinc/91/29/91/533912991.db2.gz JFEWMEKVEKABLY-UHFFFAOYSA-N 1 0 315.329 2.805 20 5 DFBDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000296735121 533987102 /nfs/dbraw/zinc/98/71/02/533987102.db2.gz OIOZABSQJAUQFS-QWRGUYRKSA-N 1 0 318.333 2.569 20 5 DFBDRO CSc1ccc(C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294936868 534184350 /nfs/dbraw/zinc/18/43/50/534184350.db2.gz VABWSGNDYVSJAD-LBPRGKRZSA-N 1 0 323.418 2.579 20 5 DFBDRO C[C@@H]1SCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000331351054 534219443 /nfs/dbraw/zinc/21/94/43/534219443.db2.gz NZRLXCMOIGHUNY-RYUDHWBXSA-N 1 0 323.418 2.749 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000302213274 534246827 /nfs/dbraw/zinc/24/68/27/534246827.db2.gz ZFMLFZSMZWNKGL-CHWSQXEVSA-N 1 0 321.377 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000296647761 534322424 /nfs/dbraw/zinc/32/24/24/534322424.db2.gz OWESEHWTJYTIJR-TXEJJXNPSA-N 1 0 320.393 2.768 20 5 DFBDRO Cc1cc(N2CCc3cncnc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360924573 518187437 /nfs/dbraw/zinc/18/74/37/518187437.db2.gz JFASTOCOSJLZDE-UHFFFAOYSA-N 1 0 321.340 2.804 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000156712164 519796347 /nfs/dbraw/zinc/79/63/47/519796347.db2.gz RPIFTLRXISBGTI-NSHDSACASA-N 1 0 313.785 2.694 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354403602 521712847 /nfs/dbraw/zinc/71/28/47/521712847.db2.gz PJQMJNBQACBJBN-SWLSCSKDSA-N 1 0 305.378 2.540 20 5 DFBDRO COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347366 523835079 /nfs/dbraw/zinc/83/50/79/523835079.db2.gz KFLSDKKNQAFSAX-HOCLYGCPSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000363811117 525198463 /nfs/dbraw/zinc/19/84/63/525198463.db2.gz CIKDGUCNYFHJEJ-KGLIPLIRSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000317346683 534883819 /nfs/dbraw/zinc/88/38/19/534883819.db2.gz YNSPHCLIMABLQS-MNOVXSKESA-N 1 0 301.350 2.510 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000154674361 525896815 /nfs/dbraw/zinc/89/68/15/525896815.db2.gz KSHZMPWJHJNXNV-GFCCVEGCSA-N 1 0 313.357 2.853 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000158209072 525916050 /nfs/dbraw/zinc/91/60/50/525916050.db2.gz RMIBKTXLBDEYCP-LSDHHAIUSA-N 1 0 322.405 2.997 20 5 DFBDRO C[C@@H](c1cccnc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019652 526121947 /nfs/dbraw/zinc/12/19/47/526121947.db2.gz ZETBJBSRMGFHQX-GXTWGEPZSA-N 1 0 301.350 2.584 20 5 DFBDRO CC(C)(C)[NH+]1CCC(Nc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302022209 526286824 /nfs/dbraw/zinc/28/68/24/526286824.db2.gz FZSRMVSGSWHTQC-UHFFFAOYSA-N 1 0 307.394 2.762 20 5 DFBDRO O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C12CCC[NH+]1CCC2 ZINC000365984435 527178095 /nfs/dbraw/zinc/17/80/95/527178095.db2.gz AWPUITOFRQMZTL-UHFFFAOYSA-N 1 0 309.753 2.815 20 5 DFBDRO CCOc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301967898 528308649 /nfs/dbraw/zinc/30/86/49/528308649.db2.gz XCIDACRVDKQXKY-OCCSQVGLSA-N 1 0 307.394 2.770 20 5 DFBDRO CCOc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1[N+](=O)[O-] ZINC000317042242 528314405 /nfs/dbraw/zinc/31/44/05/528314405.db2.gz OMAUXZYLAOPJFR-FPMFFAJLSA-N 1 0 305.378 2.557 20 5 DFBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294533207 528607943 /nfs/dbraw/zinc/60/79/43/528607943.db2.gz ABGLZQDGJFUACZ-XHDPSFHLSA-N 1 0 309.410 2.871 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000292670985 528864838 /nfs/dbraw/zinc/86/48/38/528864838.db2.gz MDKBPXILHMCUAB-GFCCVEGCSA-N 1 0 307.394 2.545 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292986914 528894540 /nfs/dbraw/zinc/89/45/40/528894540.db2.gz HWZVZNLKALXTOY-KRWDZBQOSA-N 1 0 322.405 2.704 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@](C)(C[NH3+])C1 ZINC000261928276 535020980 /nfs/dbraw/zinc/02/09/80/535020980.db2.gz ZPJACALUZZRKSV-INIZCTEOSA-N 1 0 307.394 2.553 20 5 DFBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000354521127 535542866 /nfs/dbraw/zinc/54/28/66/535542866.db2.gz HFJUICGTEXAGKG-UHFFFAOYSA-N 1 0 303.309 2.950 20 5 DFBDRO CCC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361109991 535704970 /nfs/dbraw/zinc/70/49/70/535704970.db2.gz OTJDNJYYKXXZNS-YOEHRIQHSA-N 1 0 321.421 2.746 20 5 DFBDRO CCOC(=O)c1coc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000354458574 535719360 /nfs/dbraw/zinc/71/93/60/535719360.db2.gz GQBZRYLYELVBPN-UHFFFAOYSA-N 1 0 318.329 2.697 20 5 DFBDRO CC[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000358347588 535931338 /nfs/dbraw/zinc/93/13/38/535931338.db2.gz CCOXRRIPUBBALT-PWSUYJOCSA-N 1 0 306.284 2.949 20 5 DFBDRO COc1ccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261642203 536780706 /nfs/dbraw/zinc/78/07/06/536780706.db2.gz DXSHPVVIUHBWRR-NWDGAFQWSA-N 1 0 321.377 2.568 20 5 DFBDRO CC[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000181233697 199269307 /nfs/dbraw/zinc/26/93/07/199269307.db2.gz APMOWXBVSCWQPR-MRXNPFEDSA-N 1 0 319.405 2.942 20 5 DFBDRO C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390902 214136904 /nfs/dbraw/zinc/13/69/04/214136904.db2.gz CWMKSHLFTCZRHY-CABCVRRESA-N 1 0 321.421 2.746 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000278663529 214309546 /nfs/dbraw/zinc/30/95/46/214309546.db2.gz NKCRRXFGWPQUGG-UHFFFAOYSA-N 1 0 314.345 2.546 20 5 DFBDRO O=C(Oc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH+](C2CC2)CC1 ZINC000278692746 214330599 /nfs/dbraw/zinc/33/05/99/214330599.db2.gz HTXUYTZXUFZSSS-UHFFFAOYSA-N 1 0 308.309 2.514 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000413111700 295677146 /nfs/dbraw/zinc/67/71/46/295677146.db2.gz IYNCZKYCGVBLEM-SECBINFHSA-N 1 0 318.299 2.539 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000317198488 231158807 /nfs/dbraw/zinc/15/88/07/231158807.db2.gz LBWLUNUIAQVDJU-GHMZBOCLSA-N 1 0 323.780 2.605 20 5 DFBDRO CCN1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000596171424 398346762 /nfs/dbraw/zinc/34/67/62/398346762.db2.gz AAJZDYWWIWBOIK-SNVBAGLBSA-N 1 0 313.785 2.787 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596174913 398347266 /nfs/dbraw/zinc/34/72/66/398347266.db2.gz OGAHSZKPBPRGPT-LBPRGKRZSA-N 1 0 324.812 2.811 20 5 DFBDRO CC(C)(CNc1c(Cl)cncc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000596206121 398356711 /nfs/dbraw/zinc/35/67/11/398356711.db2.gz LWICNRAXFUBTTM-UHFFFAOYSA-N 1 0 312.801 2.599 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000066157077 398360113 /nfs/dbraw/zinc/36/01/13/398360113.db2.gz CPLXAAVVWMTBRS-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO CCc1ccc(C(=O)N(C)C2CC[NH+](CC)CC2)cc1[N+](=O)[O-] ZINC000330991062 529592521 /nfs/dbraw/zinc/59/25/21/529592521.db2.gz RSAGVXOHLQWJNV-UHFFFAOYSA-N 1 0 319.405 2.714 20 5 DFBDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237615860 398372576 /nfs/dbraw/zinc/37/25/76/398372576.db2.gz DSRDFRMSVHFOMO-WCQYABFASA-N 1 0 319.405 2.844 20 5 DFBDRO CC[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000596269617 398373132 /nfs/dbraw/zinc/37/31/32/398373132.db2.gz VOZZFZOGLLUCTG-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000296636594 529651967 /nfs/dbraw/zinc/65/19/67/529651967.db2.gz XSZHQAVUHKTJRS-XHVZSJERSA-N 1 0 302.321 2.958 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cnc(C3CC3)nc1)CC2 ZINC000459360769 299087723 /nfs/dbraw/zinc/08/77/23/299087723.db2.gz YYYMHXLZCCVFFC-UHFFFAOYSA-N 1 0 310.357 2.821 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596307389 398381678 /nfs/dbraw/zinc/38/16/78/398381678.db2.gz LWKOBTDRLKWBGA-JTQLQIEISA-N 1 0 312.801 2.597 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090177839 185285038 /nfs/dbraw/zinc/28/50/38/185285038.db2.gz MJQDKBWUWXURCH-WCQYABFASA-N 1 0 305.378 2.645 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(OC)cc1 ZINC000090538067 185301516 /nfs/dbraw/zinc/30/15/16/185301516.db2.gz OAODIOPSNKFQED-OAHLLOKOSA-N 1 0 304.350 2.541 20 5 DFBDRO CCOc1cccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000090539553 185301767 /nfs/dbraw/zinc/30/17/67/185301767.db2.gz ZHDPTAZUGMKQDJ-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549467 185302463 /nfs/dbraw/zinc/30/24/63/185302463.db2.gz VVAXTLYBUGBERW-AWEZNQCLSA-N 1 0 307.394 2.515 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000596334507 398388630 /nfs/dbraw/zinc/38/86/30/398388630.db2.gz AQIMZICALNNUQS-LLVKDONJSA-N 1 0 315.377 2.823 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092456501 185319614 /nfs/dbraw/zinc/31/96/14/185319614.db2.gz DXVYTNUMNXQAOO-AWEZNQCLSA-N 1 0 306.362 2.678 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccccc3Cl)CC2)c1 ZINC000592137085 398390115 /nfs/dbraw/zinc/39/01/15/398390115.db2.gz BDOGIXHMEPWPFZ-UHFFFAOYSA-N 1 0 306.753 2.724 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccccc3F)CCC2)n1 ZINC000592145067 398391513 /nfs/dbraw/zinc/39/15/13/398391513.db2.gz UMADIVDHFKJEGY-UHFFFAOYSA-N 1 0 304.325 2.599 20 5 DFBDRO CN(C(=O)C[N@H+](C)CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000592145340 398391641 /nfs/dbraw/zinc/39/16/41/398391641.db2.gz ULORWTPXWYRGFN-UHFFFAOYSA-N 1 0 307.394 2.926 20 5 DFBDRO [NH3+]C[C@@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccc(F)cc1 ZINC000592170794 398396675 /nfs/dbraw/zinc/39/66/75/398396675.db2.gz OPNQFTRCUPUKPB-LBPRGKRZSA-N 1 0 304.325 2.550 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000174133639 536898754 /nfs/dbraw/zinc/89/87/54/536898754.db2.gz TWLXZHOBFUEHIC-ZBFHGGJFSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181444738 199297869 /nfs/dbraw/zinc/29/78/69/199297869.db2.gz DMVOOXULOSJECX-NEPJUHHUSA-N 1 0 321.377 2.571 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181531580 199313260 /nfs/dbraw/zinc/31/32/60/199313260.db2.gz DFVJRYWGNUZGSC-MRXNPFEDSA-N 1 0 319.405 2.894 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596439197 398411924 /nfs/dbraw/zinc/41/19/24/398411924.db2.gz CQFYYSGLEMWYIH-LBPRGKRZSA-N 1 0 320.393 2.837 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332502 398413082 /nfs/dbraw/zinc/41/30/82/398413082.db2.gz YTIVWBSPUYLWTA-ZYHUDNBSSA-N 1 0 323.418 2.516 20 5 DFBDRO CC(C)(c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000592356849 398414408 /nfs/dbraw/zinc/41/44/08/398414408.db2.gz HNHACXNXVMGYGN-LBPRGKRZSA-N 1 0 320.324 2.867 20 5 DFBDRO CC(C)(c1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000592356848 398414647 /nfs/dbraw/zinc/41/46/47/398414647.db2.gz HNHACXNXVMGYGN-GFCCVEGCSA-N 1 0 320.324 2.867 20 5 DFBDRO CCC[C@@H]([NH2+]CCCc1ncn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000592393606 398419879 /nfs/dbraw/zinc/41/98/79/398419879.db2.gz IMCHQCYKBOCDCD-OAHLLOKOSA-N 1 0 317.393 2.787 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000183089333 199534528 /nfs/dbraw/zinc/53/45/28/199534528.db2.gz REUIGCBXTCNVQF-NEPJUHHUSA-N 1 0 323.393 2.956 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCS[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000592380896 398418804 /nfs/dbraw/zinc/41/88/04/398418804.db2.gz UGGUEADODCWJJI-GXSJLCMTSA-N 1 0 312.391 2.596 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN(C1CC1)C1CC[NH2+]CC1 ZINC000592424370 398424255 /nfs/dbraw/zinc/42/42/55/398424255.db2.gz MLIHTHAZJQAKHU-HWKANZROSA-N 1 0 301.390 2.824 20 5 DFBDRO O=[N+]([O-])c1ccc(CN(C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000592424381 398424355 /nfs/dbraw/zinc/42/43/55/398424355.db2.gz NRYYOOIAMJKGCH-UHFFFAOYSA-N 1 0 309.797 2.965 20 5 DFBDRO C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000584876145 398424467 /nfs/dbraw/zinc/42/44/67/398424467.db2.gz RCDKWMVRAHQJAI-KGLIPLIRSA-N 1 0 319.405 2.546 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000592438326 398425128 /nfs/dbraw/zinc/42/51/28/398425128.db2.gz KVDJDNAHLZATLW-BIENSFFJSA-N 1 0 301.390 2.872 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000592438916 398426282 /nfs/dbraw/zinc/42/62/82/398426282.db2.gz UYVOCMDQJHUMDX-KRWDZBQOSA-N 1 0 315.348 2.792 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000596487681 398426951 /nfs/dbraw/zinc/42/69/51/398426951.db2.gz JNEMKTWYVITEHJ-GFCCVEGCSA-N 1 0 309.414 2.652 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCS[C@H]1C ZINC000592400046 398421869 /nfs/dbraw/zinc/42/18/69/398421869.db2.gz PYYBZBUAQDJQKG-SUNKGSAMSA-N 1 0 323.418 2.796 20 5 DFBDRO CC[C@H]1CN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1[NH3+] ZINC000592487977 398432514 /nfs/dbraw/zinc/43/25/14/398432514.db2.gz DUOPLAXRFVJYBH-XJKSGUPXSA-N 1 0 321.421 2.941 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000088701415 398440045 /nfs/dbraw/zinc/44/00/45/398440045.db2.gz QWEYOKMOPJZVFK-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccccc1[N+](=O)[O-] ZINC000330909099 529931815 /nfs/dbraw/zinc/93/18/15/529931815.db2.gz UPGDXTMQOLOTIK-CYBMUJFWSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000088724356 398440697 /nfs/dbraw/zinc/44/06/97/398440697.db2.gz XGMGZFBKZCRPSN-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cc(N[C@H]2C[C@H](O)C23CCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596512704 398435440 /nfs/dbraw/zinc/43/54/40/398435440.db2.gz SBCIEFHAUNEMHN-HOTGVXAUSA-N 1 0 313.357 2.589 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000592501329 398435693 /nfs/dbraw/zinc/43/56/93/398435693.db2.gz IWOABDDLWKDTFB-ZBFHGGJFSA-N 1 0 319.405 2.707 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181686010 199338556 /nfs/dbraw/zinc/33/85/56/199338556.db2.gz WBUDESJSGCYTEO-HNNXBMFYSA-N 1 0 316.357 2.951 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000026161112 398450599 /nfs/dbraw/zinc/45/05/99/398450599.db2.gz RXBVZVNCPADZMT-CHWSQXEVSA-N 1 0 305.378 2.901 20 5 DFBDRO Cc1cnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000596571521 398450480 /nfs/dbraw/zinc/45/04/80/398450480.db2.gz URRSOYMAJKYHID-CQSZACIVSA-N 1 0 304.394 2.832 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000026159182 398450521 /nfs/dbraw/zinc/45/05/21/398450521.db2.gz QULUGAYSMXGESZ-LBPRGKRZSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1cc(NC2CC[NH+]([C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000089602779 398459477 /nfs/dbraw/zinc/45/94/77/398459477.db2.gz QHOVFCVYSMUMOC-HNNXBMFYSA-N 1 0 305.378 2.568 20 5 DFBDRO CCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](CC)C1 ZINC000596636839 398467291 /nfs/dbraw/zinc/46/72/91/398467291.db2.gz WJAWCCBIQFAEDM-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046444496 282377228 /nfs/dbraw/zinc/37/72/28/282377228.db2.gz YETUORADAWNFEC-MRXNPFEDSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCn2cnnc2C2CC2)cc1[N+](=O)[O-] ZINC000090032120 398474714 /nfs/dbraw/zinc/47/47/14/398474714.db2.gz QTZXRBYKSSZFNN-GFCCVEGCSA-N 1 0 315.377 2.723 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046996 398475564 /nfs/dbraw/zinc/47/55/64/398475564.db2.gz KKZGMOUCKMSCOU-DZGCQCFKSA-N 1 0 321.421 2.665 20 5 DFBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181764617 199349229 /nfs/dbraw/zinc/34/92/29/199349229.db2.gz PORHFGSTQKENQF-MRXNPFEDSA-N 1 0 315.373 2.888 20 5 DFBDRO CCC[C@@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090412545 398486080 /nfs/dbraw/zinc/48/60/80/398486080.db2.gz AUYIYBJOSSVBEG-GOEBONIOSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000030148710 398497002 /nfs/dbraw/zinc/49/70/02/398497002.db2.gz KZOAYEABOLGEMN-NSHDSACASA-N 1 0 309.366 2.518 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000060624397 282444559 /nfs/dbraw/zinc/44/45/59/282444559.db2.gz ONUXUTHJTVXXCW-LLVKDONJSA-N 1 0 313.423 2.897 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1c([N+](=O)[O-])nc(C)n1CC ZINC000588822841 398509848 /nfs/dbraw/zinc/50/98/48/398509848.db2.gz GWQHYDPGYQMRHI-KGLIPLIRSA-N 1 0 321.425 2.573 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279667475 215045471 /nfs/dbraw/zinc/04/54/71/215045471.db2.gz DSARXRNBABGZJG-AWEZNQCLSA-N 1 0 321.421 2.698 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC23CCCC3)c1 ZINC000593039941 398528039 /nfs/dbraw/zinc/52/80/39/398528039.db2.gz VPGBHYWFLQHIGD-UHFFFAOYSA-N 1 0 304.346 2.900 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111374 398527643 /nfs/dbraw/zinc/52/76/43/398527643.db2.gz GLZVELNIIJJZMY-LLVKDONJSA-N 1 0 312.801 2.811 20 5 DFBDRO O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000317024295 398533736 /nfs/dbraw/zinc/53/37/36/398533736.db2.gz RVVKPIXSVVPMEM-LBPRGKRZSA-N 1 0 323.780 2.653 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC(CCO)C2)o1 ZINC000459599687 299145440 /nfs/dbraw/zinc/14/54/40/299145440.db2.gz ZUIYWYLYDZEFIS-UHFFFAOYSA-N 1 0 302.330 2.669 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000414206277 295777815 /nfs/dbraw/zinc/77/78/15/295777815.db2.gz PSJDBMSUHNROOY-BFHYXJOUSA-N 1 0 310.398 2.537 20 5 DFBDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000593107741 398547866 /nfs/dbraw/zinc/54/78/66/398547866.db2.gz HYOQRLGLWYNGGW-VIFPVBQESA-N 1 0 317.183 2.560 20 5 DFBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCc2ccc(F)cc21 ZINC000593114863 398549236 /nfs/dbraw/zinc/54/92/36/398549236.db2.gz FAJDIQGFRZVAQB-LBPRGKRZSA-N 1 0 318.352 2.592 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000320798728 398549572 /nfs/dbraw/zinc/54/95/72/398549572.db2.gz GVFBQJWOWSLWSN-YUMQZZPRSA-N 1 0 302.172 2.895 20 5 DFBDRO COc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000320602954 398548627 /nfs/dbraw/zinc/54/86/27/398548627.db2.gz XHURWXVXIITOGZ-LBPRGKRZSA-N 1 0 305.378 2.808 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[NH+]1CCCCC1 ZINC000593111972 398548651 /nfs/dbraw/zinc/54/86/51/398548651.db2.gz DGGTVMKNSIAXFA-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000077542775 282579933 /nfs/dbraw/zinc/57/99/33/282579933.db2.gz STXGFPMWFWPXLR-UHFFFAOYSA-N 1 0 319.405 2.931 20 5 DFBDRO CCCCOC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000279773300 215134402 /nfs/dbraw/zinc/13/44/02/215134402.db2.gz TTWYPBLKJPJGPB-QGZVFWFLSA-N 1 0 322.405 2.737 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCOC(C)C)c1 ZINC000589502069 398557443 /nfs/dbraw/zinc/55/74/43/398557443.db2.gz JMKFIOZDOBWLHF-UHFFFAOYSA-N 1 0 324.377 2.628 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(CN(C)CCOC(C)(C)C)c1 ZINC000589503274 398556911 /nfs/dbraw/zinc/55/69/11/398556911.db2.gz NKAFSFAUDCZGPT-UHFFFAOYSA-N 1 0 324.377 2.628 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000069224740 398557189 /nfs/dbraw/zinc/55/71/89/398557189.db2.gz GRJJQHWQZZQKHX-UHFFFAOYSA-N 1 0 306.366 2.543 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H](C(C)C)C2)c1 ZINC000589506122 398558181 /nfs/dbraw/zinc/55/81/81/398558181.db2.gz XKMHJNNFKDLURH-ZDUSSCGKSA-N 1 0 306.362 2.859 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c3cccnc31)C2 ZINC000324149867 398562303 /nfs/dbraw/zinc/56/23/03/398562303.db2.gz MBUQATAOSGBPKU-SJCJKPOMSA-N 1 0 312.373 2.708 20 5 DFBDRO C[NH+](C)C1(CNc2nc3sccn3c2[N+](=O)[O-])CCCC1 ZINC000041620694 398570980 /nfs/dbraw/zinc/57/09/80/398570980.db2.gz JYIFIPGEFHAHKY-UHFFFAOYSA-N 1 0 309.395 2.590 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CO[C@@H](C4CC4)C3)c2c1 ZINC000597132903 398573258 /nfs/dbraw/zinc/57/32/58/398573258.db2.gz NLUIOUFPFCRXET-CXAGYDPISA-N 1 0 315.373 2.776 20 5 DFBDRO CN(c1ccnc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000593232434 398576848 /nfs/dbraw/zinc/57/68/48/398576848.db2.gz NTYHBFHTMFOQNK-ONXXMXGDSA-N 1 0 312.373 2.862 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000593229660 398576188 /nfs/dbraw/zinc/57/61/88/398576188.db2.gz PKVSKBLLNBQSTJ-KCPJHIHWSA-N 1 0 312.373 2.707 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593233851 398577341 /nfs/dbraw/zinc/57/73/41/398577341.db2.gz YCTYSFINNZGBPU-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO [NH3+]Cc1ccc(CNc2c3c(ccc2[N+](=O)[O-])NCC3)c(F)c1 ZINC000593235272 398577602 /nfs/dbraw/zinc/57/76/02/398577602.db2.gz QIBGKDUYZSJNRC-UHFFFAOYSA-N 1 0 316.336 2.773 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cs1 ZINC000589938386 398584493 /nfs/dbraw/zinc/58/44/93/398584493.db2.gz OFYXCMCPZFVPJQ-WPRPVWTQSA-N 1 0 310.297 2.592 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590012295 398590405 /nfs/dbraw/zinc/59/04/05/398590405.db2.gz QCYJYUDGLJXCTC-XJKSGUPXSA-N 1 0 319.405 2.518 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597204604 398590423 /nfs/dbraw/zinc/59/04/23/398590423.db2.gz JRAREBNVLJUMRQ-SVEBXFOSSA-N 1 0 302.374 2.845 20 5 DFBDRO Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000597232105 398598558 /nfs/dbraw/zinc/59/85/58/398598558.db2.gz PSIDSJXBGNDFDD-OAHLLOKOSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1[N+](=O)[O-] ZINC000597232104 398598681 /nfs/dbraw/zinc/59/86/81/398598681.db2.gz PSIDSJXBGNDFDD-HNNXBMFYSA-N 1 0 319.405 2.640 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000597238327 398601955 /nfs/dbraw/zinc/60/19/55/398601955.db2.gz GZYMYLIMXAALLO-GDBMZVCRSA-N 1 0 324.352 2.945 20 5 DFBDRO C[C@H](O)C1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC000597233971 398599735 /nfs/dbraw/zinc/59/97/35/398599735.db2.gz DQNLQASECBNMTA-NSHDSACASA-N 1 0 302.330 2.858 20 5 DFBDRO C[C@H](O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000597233893 398599773 /nfs/dbraw/zinc/59/97/73/398599773.db2.gz CBHYVSOVXZGMCK-NSHDSACASA-N 1 0 302.330 2.858 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000597238330 398601577 /nfs/dbraw/zinc/60/15/77/398601577.db2.gz GZYMYLIMXAALLO-ZBFHGGJFSA-N 1 0 324.352 2.945 20 5 DFBDRO CCOC(=O)C1(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000092825086 398602152 /nfs/dbraw/zinc/60/21/52/398602152.db2.gz DMHPUVLZQJZZNY-UHFFFAOYSA-N 1 0 320.389 2.803 20 5 DFBDRO CC[NH+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000042845692 398604569 /nfs/dbraw/zinc/60/45/69/398604569.db2.gz FMECCMUCDSZGER-UHFFFAOYSA-N 1 0 314.773 2.712 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000141351571 186029906 /nfs/dbraw/zinc/02/99/06/186029906.db2.gz VXDFRZMLNHGFKJ-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000072620765 398626180 /nfs/dbraw/zinc/62/61/80/398626180.db2.gz XERZWQNCCSORMY-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO O=C(CC[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152624319 186091237 /nfs/dbraw/zinc/09/12/37/186091237.db2.gz WWYRGWBIEJMIJW-STQMWFEESA-N 1 0 303.362 2.655 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465786 398637652 /nfs/dbraw/zinc/63/76/52/398637652.db2.gz SXGNTEWGWNNEGD-BZNIZROVSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593466117 398637349 /nfs/dbraw/zinc/63/73/49/398637349.db2.gz VZQYDVQSKQLYQX-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CCC[C@H]([NH2+]CCC(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000177867133 186195880 /nfs/dbraw/zinc/19/58/80/186195880.db2.gz BKBXZPGBYKDUIM-HNNXBMFYSA-N 1 0 307.394 2.940 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173331368 186177267 /nfs/dbraw/zinc/17/72/67/186177267.db2.gz DRCFVPAIQCMCKN-DZGCQCFKSA-N 1 0 318.377 2.685 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2C[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871147 398643699 /nfs/dbraw/zinc/64/36/99/398643699.db2.gz OTBMSBCAZZPLGW-VXGBXAGGSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000072870470 398643971 /nfs/dbraw/zinc/64/39/71/398643971.db2.gz GWGBCIWKDNOZRE-STQMWFEESA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000237494973 186297512 /nfs/dbraw/zinc/29/75/12/186297512.db2.gz XHYHQOSVVWRKQB-GFCCVEGCSA-N 1 0 305.378 2.742 20 5 DFBDRO CO[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000267815836 186365845 /nfs/dbraw/zinc/36/58/45/186365845.db2.gz NQXDGEQCFSWOLW-AWEZNQCLSA-N 1 0 317.345 2.513 20 5 DFBDRO CCc1nn(C)c(NCCCC[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000094136731 398654522 /nfs/dbraw/zinc/65/45/22/398654522.db2.gz WQCUJLXFNKLZHU-CYBMUJFWSA-N 1 0 323.441 2.957 20 5 DFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000051063046 425882518 /nfs/dbraw/zinc/88/25/18/425882518.db2.gz JZTUQQYLHQCHHG-OAHLLOKOSA-N 1 0 319.405 2.723 20 5 DFBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000171949786 198012797 /nfs/dbraw/zinc/01/27/97/198012797.db2.gz NCSFHCRWUHXSMF-LBPRGKRZSA-N 1 0 323.393 2.910 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)c1 ZINC000593605054 398660985 /nfs/dbraw/zinc/66/09/85/398660985.db2.gz FEQITDIEIQWCGQ-GFCCVEGCSA-N 1 0 324.743 2.861 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C12CCC2 ZINC000459743363 299180048 /nfs/dbraw/zinc/18/00/48/299180048.db2.gz DEGVXKOORYPJGY-ZIAGYGMSSA-N 1 0 316.361 2.518 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172495511 198105627 /nfs/dbraw/zinc/10/56/27/198105627.db2.gz BIYUISGLQLTMDS-CYBMUJFWSA-N 1 0 323.418 2.747 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000593652399 398665885 /nfs/dbraw/zinc/66/58/85/398665885.db2.gz FYCPXEKHRACHPV-GOSISDBHSA-N 1 0 312.369 2.561 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CCSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000172590350 198119297 /nfs/dbraw/zinc/11/92/97/198119297.db2.gz MHJJTDXEIHPFKK-LLVKDONJSA-N 1 0 323.418 2.669 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459762476 299184909 /nfs/dbraw/zinc/18/49/09/299184909.db2.gz KHQOYZUVLGPHDP-HUUCEWRRSA-N 1 0 318.373 2.604 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940092 295837750 /nfs/dbraw/zinc/83/77/50/295837750.db2.gz XEXBLYIMAUACFF-LRDDRELGSA-N 1 0 315.373 2.942 20 5 DFBDRO CC[NH2+][C@H](C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414956030 295840724 /nfs/dbraw/zinc/84/07/24/295840724.db2.gz MUBZUTIWANSZGC-GFCCVEGCSA-N 1 0 303.362 2.942 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1 ZINC000459776775 299189000 /nfs/dbraw/zinc/18/90/00/299189000.db2.gz XWUNHKQFPSFZLU-DLBZAZTESA-N 1 0 304.390 2.968 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCF ZINC000593719022 398676839 /nfs/dbraw/zinc/67/68/39/398676839.db2.gz TXFXSZZBHAOHNZ-VXGBXAGGSA-N 1 0 316.398 2.776 20 5 DFBDRO C[C@H]([NH3+])[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415021314 295848090 /nfs/dbraw/zinc/84/80/90/295848090.db2.gz UIOZEMHFRAGTBP-UWVGGRQHSA-N 1 0 306.391 2.544 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000173049665 198181192 /nfs/dbraw/zinc/18/11/92/198181192.db2.gz HDLGVLOCADOTDN-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000173100459 198185008 /nfs/dbraw/zinc/18/50/08/198185008.db2.gz OBPUPXQAGNLJMT-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2CCCc3nn(C)cc32)cccc1[N+](=O)[O-] ZINC000331870541 234217417 /nfs/dbraw/zinc/21/74/17/234217417.db2.gz TVNHOVWAEGGFSH-CQSZACIVSA-N 1 0 300.362 2.804 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459795947 299195580 /nfs/dbraw/zinc/19/55/80/299195580.db2.gz YJIIJYXSPQXDFM-IDTSFGKNSA-N 1 0 303.362 2.700 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@H]1O ZINC000331911478 234267602 /nfs/dbraw/zinc/26/76/02/234267602.db2.gz KUXFSHIAUOCIFP-VJUNAUMWSA-N 1 0 320.389 2.518 20 5 DFBDRO O=C(C[N@@H+]1CCC[C@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000173560507 198227062 /nfs/dbraw/zinc/22/70/62/198227062.db2.gz MLTQJZAWPVPEJZ-OCCSQVGLSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000045951129 398690196 /nfs/dbraw/zinc/69/01/96/398690196.db2.gz LKKQORYBMGJLHO-OLZOCXBDSA-N 1 0 320.393 2.979 20 5 DFBDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174178434 198301259 /nfs/dbraw/zinc/30/12/59/198301259.db2.gz YSANJGHRDGBRKF-AAEUAGOBSA-N 1 0 306.366 2.541 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000174157477 198298945 /nfs/dbraw/zinc/29/89/45/198298945.db2.gz CKKYCTXFFDSCDN-FEAKQIBJSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000174157466 198299764 /nfs/dbraw/zinc/29/97/64/198299764.db2.gz CKKYCTXFFDSCDN-BOLDSZDNSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000174179779 198302430 /nfs/dbraw/zinc/30/24/30/198302430.db2.gz ISXSSAQPYMQADG-AGUYFDCRSA-N 1 0 317.389 2.648 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000593913663 398703045 /nfs/dbraw/zinc/70/30/45/398703045.db2.gz BXJNVBWRCUAROA-UHFFFAOYSA-N 1 0 319.405 2.751 20 5 DFBDRO CC[NH+](CC)CCSCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174357741 198324494 /nfs/dbraw/zinc/32/44/94/198324494.db2.gz UCVOPUQHCKUGSC-UHFFFAOYSA-N 1 0 311.407 2.608 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593910413 398703096 /nfs/dbraw/zinc/70/30/96/398703096.db2.gz WFEBMOAONJLTRE-WFASDCNBSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000287266646 219416216 /nfs/dbraw/zinc/41/62/16/219416216.db2.gz SDVQVSYSSFSISX-CJNGLKHVSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859207 398706178 /nfs/dbraw/zinc/70/61/78/398706178.db2.gz BATQVJRYBUJOFN-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174546915 198351104 /nfs/dbraw/zinc/35/11/04/198351104.db2.gz XKEWYIZYMZFKGZ-GFCCVEGCSA-N 1 0 323.418 2.604 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597856069 398705452 /nfs/dbraw/zinc/70/54/52/398705452.db2.gz WEDHNMHJUPMRPB-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000174692808 198371527 /nfs/dbraw/zinc/37/15/27/198371527.db2.gz VMBLSORSFFRBNV-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO COc1cc(CN(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000445860563 297269429 /nfs/dbraw/zinc/26/94/29/297269429.db2.gz CAQHAZTUEHWDAQ-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590970363 398711204 /nfs/dbraw/zinc/71/12/04/398711204.db2.gz ZYYABWORPFFWCP-ZBFHGGJFSA-N 1 0 302.374 2.904 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000591041354 398718360 /nfs/dbraw/zinc/71/83/60/398718360.db2.gz SSYKMVHVGJMJKB-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415289272 295875578 /nfs/dbraw/zinc/87/55/78/295875578.db2.gz BFUWOOWYXBGVRZ-UHFFFAOYSA-N 1 0 320.393 2.995 20 5 DFBDRO CCOc1cc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000277055579 213267607 /nfs/dbraw/zinc/26/76/07/213267607.db2.gz ITHMAPVZBUGXNI-RYUDHWBXSA-N 1 0 308.378 2.727 20 5 DFBDRO O=C(C[N@@H+]1CC[C@@H](C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000591061977 398720540 /nfs/dbraw/zinc/72/05/40/398720540.db2.gz PXYXJPUUVOHYEX-CYBMUJFWSA-N 1 0 303.362 2.655 20 5 DFBDRO CN(C(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000591061748 398720548 /nfs/dbraw/zinc/72/05/48/398720548.db2.gz GVKZHJIUZDBKMM-CQSZACIVSA-N 1 0 317.389 2.680 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597923111 398722330 /nfs/dbraw/zinc/72/23/30/398722330.db2.gz LKIZLLFFDVRENB-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])cc1F ZINC000277012554 213240271 /nfs/dbraw/zinc/24/02/71/213240271.db2.gz PTBZSYXAIFHICP-JSGCOSHPSA-N 1 0 312.341 2.790 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415487750 295887127 /nfs/dbraw/zinc/88/71/27/295887127.db2.gz UOCVOUIQGVPHBC-ZDUSSCGKSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046952540 398727763 /nfs/dbraw/zinc/72/77/63/398727763.db2.gz FXWDPOQXRHBJHN-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415494947 295887922 /nfs/dbraw/zinc/88/79/22/295887922.db2.gz FMRLVUKWFWWFJN-RISCZKNCSA-N 1 0 306.366 2.637 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594041535 398728904 /nfs/dbraw/zinc/72/89/04/398728904.db2.gz FHTYAZOUSGACAE-CVEARBPZSA-N 1 0 308.378 2.911 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000415588703 295892348 /nfs/dbraw/zinc/89/23/48/295892348.db2.gz YABXYAVALDYOAO-JSGCOSHPSA-N 1 0 320.393 2.945 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000594054523 398733995 /nfs/dbraw/zinc/73/39/95/398733995.db2.gz HCKHJIXKBWSLDL-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@H]2C1 ZINC000364986222 283078820 /nfs/dbraw/zinc/07/88/20/283078820.db2.gz KNOYKPPIXJRLAB-PXAZEXFGSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000276974006 213213613 /nfs/dbraw/zinc/21/36/13/213213613.db2.gz YCEVNEILRILWSI-BMFZPTHFSA-N 1 0 302.374 2.950 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000287470043 219545216 /nfs/dbraw/zinc/54/52/16/219545216.db2.gz WVSMIHGZWFOCIT-LBPRGKRZSA-N 1 0 323.368 2.647 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047187632 398738811 /nfs/dbraw/zinc/73/88/11/398738811.db2.gz DWFAOSNPEPCOFL-AWEZNQCLSA-N 1 0 319.405 2.979 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000047253517 398741282 /nfs/dbraw/zinc/74/12/82/398741282.db2.gz WBTBGIZJMODRIL-VNHYZAJKSA-N 1 0 304.394 2.831 20 5 DFBDRO CCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](CC)C1 ZINC000598038198 398741678 /nfs/dbraw/zinc/74/16/78/398741678.db2.gz AIGXKZIQWHCITP-CZUORRHYSA-N 1 0 319.405 2.641 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075537918 191487708 /nfs/dbraw/zinc/48/77/08/191487708.db2.gz IRLLQSFEBJYUSO-CYBMUJFWSA-N 1 0 320.393 2.790 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1C[C@H]1c1ccco1)OCCO2 ZINC000591267361 398744161 /nfs/dbraw/zinc/74/41/61/398744161.db2.gz BWMNJQDDZQODHY-VXGBXAGGSA-N 1 0 316.313 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594099167 398743196 /nfs/dbraw/zinc/74/31/96/398743196.db2.gz CYNGWBCLARUOBV-BETUJISGSA-N 1 0 320.393 2.673 20 5 DFBDRO CC[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH3+] ZINC000591437262 398759882 /nfs/dbraw/zinc/75/98/82/398759882.db2.gz FSKPQVCWSRXUOQ-ABAIWWIYSA-N 1 0 300.362 2.707 20 5 DFBDRO CC(C)[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[NH2+]1 ZINC000591434650 398760247 /nfs/dbraw/zinc/76/02/47/398760247.db2.gz HUJVXOPFMRQBKL-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[NH2+]1 ZINC000591435899 398760402 /nfs/dbraw/zinc/76/04/02/398760402.db2.gz ZQMXALGWHYJLLX-LLVKDONJSA-N 1 0 315.320 2.630 20 5 DFBDRO CC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000591439837 398761056 /nfs/dbraw/zinc/76/10/56/398761056.db2.gz YQOANRDINTXWRX-RISCZKNCSA-N 1 0 300.362 2.707 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(c1ccc3ncccc3c1[N+](=O)[O-])C2 ZINC000080702403 192183603 /nfs/dbraw/zinc/18/36/03/192183603.db2.gz PMUMHXSPSPNMMP-QWHCGFSZSA-N 1 0 312.373 2.816 20 5 DFBDRO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000081290999 192245118 /nfs/dbraw/zinc/24/51/18/192245118.db2.gz BFZYPCKVNJWQCO-GFCCVEGCSA-N 1 0 323.418 2.651 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCNC1CC1 ZINC000591577313 398773185 /nfs/dbraw/zinc/77/31/85/398773185.db2.gz OUPVVBNTVHUDFE-CZUORRHYSA-N 1 0 303.406 2.648 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591685940 398780821 /nfs/dbraw/zinc/78/08/21/398780821.db2.gz CCXPEOVWCGVRQY-OAHLLOKOSA-N 1 0 317.389 2.590 20 5 DFBDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591757426 398784081 /nfs/dbraw/zinc/78/40/81/398784081.db2.gz AVDLODMWPDWSCH-CHWSQXEVSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000591757120 398784114 /nfs/dbraw/zinc/78/41/14/398784114.db2.gz FDUZNGLIEDXVIL-AWEZNQCLSA-N 1 0 320.389 2.504 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276872586 213147058 /nfs/dbraw/zinc/14/70/58/213147058.db2.gz HSSGNAQEOQKJSV-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000594439554 398803430 /nfs/dbraw/zinc/80/34/30/398803430.db2.gz RVEPZHTUILODDQ-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC000594445656 398804935 /nfs/dbraw/zinc/80/49/35/398804935.db2.gz JPBHDEFFEZXIPM-YQQAZPJKSA-N 1 0 317.389 2.552 20 5 DFBDRO CCC[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490943 299263290 /nfs/dbraw/zinc/26/32/90/299263290.db2.gz PSHGSJLODOCOIY-ZBFHGGJFSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCOC[C@@H]1CCCO1 ZINC000594490718 398808015 /nfs/dbraw/zinc/80/80/15/398808015.db2.gz QYGDUKIGTQWQCM-BBRMVZONSA-N 1 0 320.389 2.757 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000276739177 213077998 /nfs/dbraw/zinc/07/79/98/213077998.db2.gz ADXRVNXWUCRCTC-VXGBXAGGSA-N 1 0 304.346 2.731 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000152021638 283306886 /nfs/dbraw/zinc/30/68/86/283306886.db2.gz DLLLVUSXFBTNKM-SOFGYWHQSA-N 1 0 323.368 2.546 20 5 DFBDRO CC(C)c1ccc(CN[C@H](C[NH3+])C(F)(F)F)cc1[N+](=O)[O-] ZINC000594583569 398824415 /nfs/dbraw/zinc/82/44/15/398824415.db2.gz WWPHNXSFRRJELV-GFCCVEGCSA-N 1 0 305.300 2.697 20 5 DFBDRO COc1cc(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594591124 398825510 /nfs/dbraw/zinc/82/55/10/398825510.db2.gz FGIDNHFCWLQLJD-UPJWGTAASA-N 1 0 323.393 2.513 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051826006 398826028 /nfs/dbraw/zinc/82/60/28/398826028.db2.gz ZLBNOFCXPBOGLR-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H](O)CN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000594615356 398833688 /nfs/dbraw/zinc/83/36/88/398833688.db2.gz NIDAFHPQCFAQBN-SECBINFHSA-N 1 0 316.304 2.541 20 5 DFBDRO Cc1ncc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)s1 ZINC000052101477 398832142 /nfs/dbraw/zinc/83/21/42/398832142.db2.gz GLDDJVTYZBSQAK-UHFFFAOYSA-N 1 0 307.375 2.871 20 5 DFBDRO Cc1cc(N(C)CC(C)(C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000594693230 398843148 /nfs/dbraw/zinc/84/31/48/398843148.db2.gz LVEFQNNZIDDYIF-UHFFFAOYSA-N 1 0 316.199 2.839 20 5 DFBDRO Cc1cc(N2CC[C@@H](C)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000598633542 398843905 /nfs/dbraw/zinc/84/39/05/398843905.db2.gz BGVOWMSMKJWOEQ-YPMHNXCESA-N 1 0 315.373 2.906 20 5 DFBDRO C[NH2+]C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000598632525 398844102 /nfs/dbraw/zinc/84/41/02/398844102.db2.gz FRGOJGPJPIXJGW-UHFFFAOYSA-N 1 0 314.183 2.911 20 5 DFBDRO C[NH+](C)CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000076169811 398845648 /nfs/dbraw/zinc/84/56/48/398845648.db2.gz TUUTVWIIOSOSRL-UHFFFAOYSA-N 1 0 313.357 2.951 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000076363305 398852322 /nfs/dbraw/zinc/85/23/22/398852322.db2.gz LEJDHRFKJVJYEY-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CCCC2CCC2)c1 ZINC000594732795 398851363 /nfs/dbraw/zinc/85/13/63/398851363.db2.gz NPIWKWWGZHTYNZ-OAHLLOKOSA-N 1 0 308.378 2.504 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598678386 398854348 /nfs/dbraw/zinc/85/43/48/398854348.db2.gz XDZPKHYTUMYJCZ-KVGPOCCESA-N 1 0 304.390 2.948 20 5 DFBDRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000180400999 199154635 /nfs/dbraw/zinc/15/46/35/199154635.db2.gz HFQMSMDRXDGPPV-NSHDSACASA-N 1 0 318.333 2.571 20 5 DFBDRO O=C(CC[NH2+]CC[C@@H]1CC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000598728336 398863476 /nfs/dbraw/zinc/86/34/76/398863476.db2.gz BAXLGZRVDSVDSI-SNVBAGLBSA-N 1 0 313.304 2.558 20 5 DFBDRO C[C@@H](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCC[NH2+]C1 ZINC000237341457 202238206 /nfs/dbraw/zinc/23/82/06/202238206.db2.gz IJWDXKWISLMZPW-JSGCOSHPSA-N 1 0 317.389 2.510 20 5 DFBDRO C[N@H+](CCNC(=O)c1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000053349839 398868817 /nfs/dbraw/zinc/86/88/17/398868817.db2.gz DDSGDACXGKRPNK-UHFFFAOYSA-N 1 0 319.386 2.518 20 5 DFBDRO Cc1nn(C)c(NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000076798433 398870055 /nfs/dbraw/zinc/87/00/55/398870055.db2.gz VBSNCPXYHRFQSR-UHFFFAOYSA-N 1 0 309.414 2.561 20 5 DFBDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594929615 398874602 /nfs/dbraw/zinc/87/46/02/398874602.db2.gz LDWWYVCWSRUQLK-UHOFOFEASA-N 1 0 320.389 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnc3n2CCC3)cc1 ZINC000594927871 398873980 /nfs/dbraw/zinc/87/39/80/398873980.db2.gz ARLUXAUNBDFBJM-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)C(C)(C)C ZINC000180633318 199187585 /nfs/dbraw/zinc/18/75/85/199187585.db2.gz MFVBHBWYJZMXJZ-OAHLLOKOSA-N 1 0 310.394 2.879 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000594933663 398875489 /nfs/dbraw/zinc/87/54/89/398875489.db2.gz ATLNCUHZUYDBMM-ZMJPVWNMSA-N 1 0 306.362 2.751 20 5 DFBDRO COC[C@H](CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000594952672 398880175 /nfs/dbraw/zinc/88/01/75/398880175.db2.gz QOZSVSBMBLXYJY-AWEZNQCLSA-N 1 0 310.394 2.859 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594954407 398880238 /nfs/dbraw/zinc/88/02/38/398880238.db2.gz LESLNRGVXYJKMZ-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962806 398882552 /nfs/dbraw/zinc/88/25/52/398882552.db2.gz KJJSAAVFVAWMKF-ZDUSSCGKSA-N 1 0 307.394 2.566 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NCc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000594992817 398887685 /nfs/dbraw/zinc/88/76/85/398887685.db2.gz YOSPOQZNBDBOLJ-CQSZACIVSA-N 1 0 307.394 2.567 20 5 DFBDRO CNC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000594997024 398888656 /nfs/dbraw/zinc/88/86/56/398888656.db2.gz QZMGSDQEZHUWKE-UHFFFAOYSA-N 1 0 319.405 2.771 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000594995643 398888883 /nfs/dbraw/zinc/88/88/83/398888883.db2.gz JQLZEMVQWDKYFS-KRWDZBQOSA-N 1 0 322.405 2.561 20 5 DFBDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468642178 299280740 /nfs/dbraw/zinc/28/07/40/299280740.db2.gz IWZMAQTWPQVMBW-UYEGUDHTSA-N 1 0 319.405 2.891 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595012131 398891575 /nfs/dbraw/zinc/89/15/75/398891575.db2.gz OJGVQMJUNOKQAU-CHWSQXEVSA-N 1 0 309.410 2.984 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000595009891 398890707 /nfs/dbraw/zinc/89/07/07/398890707.db2.gz UFKZURIAJJVEMZ-HUBLWGQQSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000595009892 398890729 /nfs/dbraw/zinc/89/07/29/398890729.db2.gz UFKZURIAJJVEMZ-SLEUVZQESA-N 1 0 308.378 2.805 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000598915948 398892709 /nfs/dbraw/zinc/89/27/09/398892709.db2.gz RDAKBCPJNRXAON-UHFFFAOYSA-N 1 0 312.757 2.641 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC12CC[NH2+]CC2 ZINC000598916281 398892748 /nfs/dbraw/zinc/89/27/48/398892748.db2.gz WRNWDMBMMSJFGD-GFCCVEGCSA-N 1 0 324.768 2.512 20 5 DFBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000598915752 398892784 /nfs/dbraw/zinc/89/27/84/398892784.db2.gz NWIXDZQCSYJBRM-AWEZNQCLSA-N 1 0 324.356 2.763 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000598915995 398892836 /nfs/dbraw/zinc/89/28/36/398892836.db2.gz SGBGQMHSWQVNNY-CQSZACIVSA-N 1 0 312.345 2.619 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598916496 398892907 /nfs/dbraw/zinc/89/29/07/398892907.db2.gz ZVMKBAFQSZXJMC-RKDXNWHRSA-N 1 0 312.757 2.510 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC000598916494 398892945 /nfs/dbraw/zinc/89/29/45/398892945.db2.gz ZVMKBAFQSZXJMC-DTWKUNHWSA-N 1 0 312.757 2.510 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CCCC[NH2+]C1 ZINC000598915801 398893012 /nfs/dbraw/zinc/89/30/12/398893012.db2.gz PEQSTXOOBPLJLQ-SECBINFHSA-N 1 0 312.757 2.512 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000595019702 398893463 /nfs/dbraw/zinc/89/34/63/398893463.db2.gz PZWMOOQICCACNQ-UHFFFAOYSA-N 1 0 300.305 2.651 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCCCC1 ZINC000269105370 283406349 /nfs/dbraw/zinc/40/63/49/283406349.db2.gz JENZBQMOYVCKNL-UHFFFAOYSA-N 1 0 317.345 2.732 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000595023744 398894163 /nfs/dbraw/zinc/89/41/63/398894163.db2.gz YCFRBQMKUUAHKK-CMPLNLGQSA-N 1 0 316.361 2.535 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595030737 398895326 /nfs/dbraw/zinc/89/53/26/398895326.db2.gz VDQWNEGAPKINIA-YWPYICTPSA-N 1 0 307.394 2.594 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280841944 215910587 /nfs/dbraw/zinc/91/05/87/215910587.db2.gz ASRGCWHTHJSAMZ-OCCSQVGLSA-N 1 0 305.378 2.504 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000089092360 192725399 /nfs/dbraw/zinc/72/53/99/192725399.db2.gz HPABNAKENWCWGX-GZMMTYOYSA-N 1 0 314.183 2.897 20 5 DFBDRO COc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961773 398897847 /nfs/dbraw/zinc/89/78/47/398897847.db2.gz BJWSRYAVGHKBEH-ZDUSSCGKSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000595053406 398897866 /nfs/dbraw/zinc/89/78/66/398897866.db2.gz YAKXZIKPKFLXQO-MNOVXSKESA-N 1 0 316.361 2.535 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595051859 398898354 /nfs/dbraw/zinc/89/83/54/398898354.db2.gz PDHHSJYUXWDNJY-FUDCBSFHSA-N 1 0 319.405 2.879 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069016 398901778 /nfs/dbraw/zinc/90/17/78/398901778.db2.gz MICWKVLMVSJJPO-TVQRCGJNSA-N 1 0 316.304 2.678 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000595069015 398902169 /nfs/dbraw/zinc/90/21/69/398902169.db2.gz MICWKVLMVSJJPO-RNCFNFMXSA-N 1 0 316.304 2.678 20 5 DFBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000595074159 398902646 /nfs/dbraw/zinc/90/26/46/398902646.db2.gz UHNJUNICTNHBNQ-CZUORRHYSA-N 1 0 322.405 2.995 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000595092387 398903769 /nfs/dbraw/zinc/90/37/69/398903769.db2.gz VDIXREQHDVLKHE-LKTVYLICSA-N 1 0 306.362 2.558 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](CO)CC1CC1)CCC2 ZINC000595092820 398904031 /nfs/dbraw/zinc/90/40/31/398904031.db2.gz XEXVHBKGDDTCIO-SUMWQHHRSA-N 1 0 304.390 2.970 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595092388 398904045 /nfs/dbraw/zinc/90/40/45/398904045.db2.gz VDIXREQHDVLKHE-NZVBXONLSA-N 1 0 306.362 2.558 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[C@H](C[NH+](C)C)C1 ZINC000470170778 299293337 /nfs/dbraw/zinc/29/33/37/299293337.db2.gz AFWBUEFGSRYYRN-IHWMJMDHSA-N 1 0 303.406 2.882 20 5 DFBDRO COc1cc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c([N+](=O)[O-])cc1O ZINC000599004805 398906888 /nfs/dbraw/zinc/90/68/88/398906888.db2.gz HBFZMHXOXYWKIA-CULMDFNYSA-N 1 0 306.362 2.835 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000599038111 398911159 /nfs/dbraw/zinc/91/11/59/398911159.db2.gz NSHALUTVTWTOCL-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)c1coc(C[NH3+])c1 ZINC000187496597 200120017 /nfs/dbraw/zinc/12/00/17/200120017.db2.gz YCKGSDFNYBGFBW-UHFFFAOYSA-N 1 0 317.345 2.697 20 5 DFBDRO COC(=O)CC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000599042424 398911389 /nfs/dbraw/zinc/91/13/89/398911389.db2.gz SHDODSHTLGLSHQ-UHFFFAOYSA-N 1 0 320.389 2.849 20 5 DFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000187680614 200143975 /nfs/dbraw/zinc/14/39/75/200143975.db2.gz BPYOPPGKWYDQII-NUEKZKHPSA-N 1 0 304.390 2.665 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000595258138 398913295 /nfs/dbraw/zinc/91/32/95/398913295.db2.gz LCWMWPFTNFFEGM-IUODEOHRSA-N 1 0 305.378 2.574 20 5 DFBDRO CC(C)C(=O)NCCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058496 398914516 /nfs/dbraw/zinc/91/45/16/398914516.db2.gz HGIUDTFNJAXTTC-UHFFFAOYSA-N 1 0 316.361 2.717 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000599065359 398915750 /nfs/dbraw/zinc/91/57/50/398915750.db2.gz KMADFMDUDOKXQH-RISCZKNCSA-N 1 0 313.348 2.975 20 5 DFBDRO CO[C@@H](C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)C1CCC1 ZINC000595290135 398916892 /nfs/dbraw/zinc/91/68/92/398916892.db2.gz HZBDDCSOSFDOOP-KRWDZBQOSA-N 1 0 319.405 2.532 20 5 DFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]21 ZINC000599082291 398917976 /nfs/dbraw/zinc/91/79/76/398917976.db2.gz BBVKFKRDCQMLNE-IWIIMEHWSA-N 1 0 315.295 2.610 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599083521 398918523 /nfs/dbraw/zinc/91/85/23/398918523.db2.gz YFXGBYNJDMEUPB-VDERGJSUSA-N 1 0 304.390 2.667 20 5 DFBDRO O=c1[nH]cccc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599084220 398918649 /nfs/dbraw/zinc/91/86/49/398918649.db2.gz PZMZHFCFYPYVCK-HNNXBMFYSA-N 1 0 313.357 2.806 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599086048 398918793 /nfs/dbraw/zinc/91/87/93/398918793.db2.gz XXTZPVBJSIFYEW-JVLSTEMRSA-N 1 0 306.362 2.822 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599086049 398918903 /nfs/dbraw/zinc/91/89/03/398918903.db2.gz XXTZPVBJSIFYEW-NVBFEUDRSA-N 1 0 306.362 2.822 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000189006049 283483274 /nfs/dbraw/zinc/48/32/74/283483274.db2.gz UQEZOJHARXVYMZ-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO CN(CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095483 398920951 /nfs/dbraw/zinc/92/09/51/398920951.db2.gz WJHIECTXPKQTTG-CQSZACIVSA-N 1 0 313.348 2.759 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381079 398930260 /nfs/dbraw/zinc/93/02/60/398930260.db2.gz ITUPSLHMGZAIDX-HUUCEWRRSA-N 1 0 307.369 2.793 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599165737 398932353 /nfs/dbraw/zinc/93/23/53/398932353.db2.gz RTJRODDFPXMUNT-CYBMUJFWSA-N 1 0 307.398 2.548 20 5 DFBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCOC1 ZINC000595403833 398932822 /nfs/dbraw/zinc/93/28/22/398932822.db2.gz JKAVUFGFEVEIKB-RHSMWYFYSA-N 1 0 320.389 2.611 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000417362638 296013957 /nfs/dbraw/zinc/01/39/57/296013957.db2.gz AIIWBUQHCDAGQC-NWDGAFQWSA-N 1 0 313.348 2.893 20 5 DFBDRO Cc1noc(CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429070 398936816 /nfs/dbraw/zinc/93/68/16/398936816.db2.gz BGYCWKJQXLPLSP-WCQYABFASA-N 1 0 322.409 2.634 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000595454419 398941634 /nfs/dbraw/zinc/94/16/34/398941634.db2.gz LVKHMEAFHBIAEC-ZDUSSCGKSA-N 1 0 302.305 2.697 20 5 DFBDRO COC[C@@H](Cc1ccccc1)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457614 398942510 /nfs/dbraw/zinc/94/25/10/398942510.db2.gz MEZPPHBNHVVCQC-CQSZACIVSA-N 1 0 319.361 2.581 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000155749795 398947837 /nfs/dbraw/zinc/94/78/37/398947837.db2.gz FCUUXIXSZPLTKZ-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000272019923 209388800 /nfs/dbraw/zinc/38/88/00/209388800.db2.gz LIGVXNVHMNAJTI-BXUZGUMPSA-N 1 0 312.391 2.868 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595504555 398951947 /nfs/dbraw/zinc/95/19/47/398951947.db2.gz GCDHRNGKCUKIPT-INIZCTEOSA-N 1 0 310.369 2.964 20 5 DFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1c(F)cccc1[N+](=O)[O-])C2 ZINC000595507152 398953219 /nfs/dbraw/zinc/95/32/19/398953219.db2.gz KPMQCMCPQLQWHR-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO COc1cc(C[NH2+]C2(CCO)CCCC2)c([N+](=O)[O-])cc1F ZINC000595509104 398954159 /nfs/dbraw/zinc/95/41/59/398954159.db2.gz PPLGHWXTMSJTDH-UHFFFAOYSA-N 1 0 312.341 2.527 20 5 DFBDRO CC1(C)CC(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000599325996 398954320 /nfs/dbraw/zinc/95/43/20/398954320.db2.gz OQZASKHJNMDLGU-ZDUSSCGKSA-N 1 0 304.394 2.912 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000595514019 398954566 /nfs/dbraw/zinc/95/45/66/398954566.db2.gz KCCZQTJREILMLW-IIAWOOMASA-N 1 0 308.353 2.859 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521056 398955913 /nfs/dbraw/zinc/95/59/13/398955913.db2.gz QEANQWYVJSITNL-OLZOCXBDSA-N 1 0 310.325 2.555 20 5 DFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]12 ZINC000320020262 283597131 /nfs/dbraw/zinc/59/71/31/283597131.db2.gz UPIOKNWCIKMROL-HLUHBDAQSA-N 1 0 315.295 2.787 20 5 DFBDRO CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@H]1CCC[N@@H+]1CC ZINC000599368321 398964511 /nfs/dbraw/zinc/96/45/11/398964511.db2.gz AWSLSTAYTWXBBQ-MRXNPFEDSA-N 1 0 321.421 2.910 20 5 DFBDRO CCN(Cc1ccc(OC)c([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+]1CC ZINC000599379930 398968103 /nfs/dbraw/zinc/96/81/03/398968103.db2.gz NOPDXFDMOMBVDI-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020706 299322380 /nfs/dbraw/zinc/32/23/80/299322380.db2.gz ZZOSZVUJMXWBDW-SWLSCSKDSA-N 1 0 309.435 2.683 20 5 DFBDRO CSc1ccc([C@@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000281444827 216304690 /nfs/dbraw/zinc/30/46/90/216304690.db2.gz QEJHNAQHFGCCEX-LLVKDONJSA-N 1 0 306.391 2.864 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1 ZINC000281460659 216315285 /nfs/dbraw/zinc/31/52/85/216315285.db2.gz AXCMZIIEEXYIDU-SFHVURJKSA-N 1 0 312.369 2.909 20 5 DFBDRO Cc1cnc(NCC[N@@H+](C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000078653820 398975919 /nfs/dbraw/zinc/97/59/19/398975919.db2.gz LPJSSAQXTMYDBU-UHFFFAOYSA-N 1 0 300.362 2.842 20 5 DFBDRO C[N@H+](CCSCCn1ccc([N+](=O)[O-])n1)Cc1ccccc1 ZINC000193638252 201091924 /nfs/dbraw/zinc/09/19/24/201091924.db2.gz IQQXEPAOVAWLNL-UHFFFAOYSA-N 1 0 320.418 2.657 20 5 DFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCOC1 ZINC000056494882 398975243 /nfs/dbraw/zinc/97/52/43/398975243.db2.gz UTYKNXGBAVEVOB-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1C[C@@H]2CCCC[C@@H]21 ZINC000595566162 398975324 /nfs/dbraw/zinc/97/53/24/398975324.db2.gz LWTAXSIGJRVBDM-DYEKYZERSA-N 1 0 303.362 2.796 20 5 DFBDRO CC(C)([NH2+]CCOC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000599425850 398977986 /nfs/dbraw/zinc/97/79/86/398977986.db2.gz QCCCVSGUIURKQP-UHFFFAOYSA-N 1 0 308.378 2.615 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCS1 ZINC000600155887 398976430 /nfs/dbraw/zinc/97/64/30/398976430.db2.gz KDEOWSYRIQAJDP-AWEZNQCLSA-N 1 0 306.391 2.846 20 5 DFBDRO CN(Cc1csc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000595599549 398992070 /nfs/dbraw/zinc/99/20/70/398992070.db2.gz YCHUOKJCLRVEEB-CQSZACIVSA-N 1 0 306.387 2.692 20 5 DFBDRO CC[C@H](C)[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595597820 398992446 /nfs/dbraw/zinc/99/24/46/398992446.db2.gz AEECMTPBNYZDKJ-LBPRGKRZSA-N 1 0 305.378 2.604 20 5 DFBDRO O=C(Nc1cc([N+](=O)[O-])ccc1F)C1CC[NH+](C2CC2)CC1 ZINC000195308253 201377656 /nfs/dbraw/zinc/37/76/56/201377656.db2.gz VFAZDDHCTIFANG-UHFFFAOYSA-N 1 0 307.325 2.547 20 5 DFBDRO COC(=O)CC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000281622151 216428196 /nfs/dbraw/zinc/42/81/96/216428196.db2.gz KHIAJAFVFPUQOL-LBPRGKRZSA-N 1 0 306.362 2.897 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000474777368 299338686 /nfs/dbraw/zinc/33/86/86/299338686.db2.gz VGZXWGGDTCHOQG-GFCCVEGCSA-N 1 0 323.393 2.832 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@@H](CO)C2CCC2)c1 ZINC000595617922 399004570 /nfs/dbraw/zinc/00/45/70/399004570.db2.gz VNANPEPQERJAIW-ZDUSSCGKSA-N 1 0 318.295 2.864 20 5 DFBDRO CC[C@H](NC(=O)N[C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417854877 296058136 /nfs/dbraw/zinc/05/81/36/296058136.db2.gz QJUDWEZGHVAUBC-ZFWWWQNUSA-N 1 0 322.409 2.719 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513151 212385215 /nfs/dbraw/zinc/38/52/15/212385215.db2.gz KNHVLVRLMHGAFW-STQMWFEESA-N 1 0 300.362 2.705 20 5 DFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3C[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000475485930 299348152 /nfs/dbraw/zinc/34/81/52/299348152.db2.gz JNXGMBICLSCJRS-KGLIPLIRSA-N 1 0 319.405 2.772 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417981962 296069041 /nfs/dbraw/zinc/06/90/41/296069041.db2.gz MSYKVBAOTCZDKB-SGMGOOAPSA-N 1 0 320.393 2.567 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417981956 296069128 /nfs/dbraw/zinc/06/91/28/296069128.db2.gz MSYKVBAOTCZDKB-DYEKYZERSA-N 1 0 320.393 2.567 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000447811837 297317905 /nfs/dbraw/zinc/31/79/05/297317905.db2.gz IETBWVCVSWOCLN-LBPRGKRZSA-N 1 0 310.373 2.848 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C1CC1)C1CC1 ZINC000599598577 399025413 /nfs/dbraw/zinc/02/54/13/399025413.db2.gz GGKMJHIUUQZHGM-UHFFFAOYSA-N 1 0 319.361 2.559 20 5 DFBDRO COc1cc(CN2C[C@]3(C)COC[C@]3(C)C2)c([N+](=O)[O-])cc1F ZINC000595687841 399035430 /nfs/dbraw/zinc/03/54/30/399035430.db2.gz CVHVNJQPFJHKMO-IYBDPMFKSA-N 1 0 324.352 2.601 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(Cc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC000091782962 193107132 /nfs/dbraw/zinc/10/71/32/193107132.db2.gz NPTPLCVQPPXPPX-GXTWGEPZSA-N 1 0 309.797 2.917 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255378378 283875339 /nfs/dbraw/zinc/87/53/39/283875339.db2.gz CKKYCTXFFDSCDN-FJVVXJACSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281928538 216637603 /nfs/dbraw/zinc/63/76/03/216637603.db2.gz KKEZXIIJJXBSIR-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293055068 223373790 /nfs/dbraw/zinc/37/37/90/223373790.db2.gz LVHZFQOWKPNRKD-CQSZACIVSA-N 1 0 319.405 2.663 20 5 DFBDRO C/C=C/C[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000599690671 399065477 /nfs/dbraw/zinc/06/54/77/399065477.db2.gz OUWIKRSYZKZCTC-IBUXWKBASA-N 1 0 317.389 2.872 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@H](CCF)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000595755248 399070271 /nfs/dbraw/zinc/07/02/71/399070271.db2.gz JRDYJTCDWWXHCA-CYBMUJFWSA-N 1 0 323.368 2.995 20 5 DFBDRO Cn1cc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c(C(F)F)n1 ZINC000613743020 399074655 /nfs/dbraw/zinc/07/46/55/399074655.db2.gz KWKMELLFSGJJDI-UHFFFAOYSA-N 1 0 322.315 2.824 20 5 DFBDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595766276 399076810 /nfs/dbraw/zinc/07/68/10/399076810.db2.gz NUSDDROMQTXVKC-IAQYHMDHSA-N 1 0 317.345 2.595 20 5 DFBDRO O=C1CCCC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000595805110 399091087 /nfs/dbraw/zinc/09/10/87/399091087.db2.gz DUXQEKSUALRXKI-UHFFFAOYSA-N 1 0 318.373 2.809 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)c1ccc(F)cc1 ZINC000079948249 399099589 /nfs/dbraw/zinc/09/95/89/399099589.db2.gz MHOXNUADAZHUEB-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO CC[C@@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000261870498 203138734 /nfs/dbraw/zinc/13/87/34/203138734.db2.gz QLYSOWBPBULATO-SWLSCSKDSA-N 1 0 305.378 2.552 20 5 DFBDRO CSc1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261868126 203138907 /nfs/dbraw/zinc/13/89/07/203138907.db2.gz SBVTZBACZWXMNO-PWSUYJOCSA-N 1 0 323.418 2.516 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(=O)OC(C)(C)C ZINC000174432235 399112323 /nfs/dbraw/zinc/11/23/23/399112323.db2.gz JWWPILCXFLQBAT-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000262278949 203248225 /nfs/dbraw/zinc/24/82/25/203248225.db2.gz KHCOHSKEOYHESU-YUTCNCBUSA-N 1 0 305.378 2.598 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339534870 284144254 /nfs/dbraw/zinc/14/42/54/284144254.db2.gz RAAFJEQULLHGSA-OAHLLOKOSA-N 1 0 313.357 2.610 20 5 DFBDRO Cc1ccncc1N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000340108397 284152212 /nfs/dbraw/zinc/15/22/12/284152212.db2.gz KAJYVBYNCZMXET-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705782 399120125 /nfs/dbraw/zinc/12/01/25/399120125.db2.gz AFZSVHWNTSDPMM-JKSUJKDBSA-N 1 0 301.390 2.846 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000060333534 399122191 /nfs/dbraw/zinc/12/21/91/399122191.db2.gz XRNMKBMRHFRKTE-CYBMUJFWSA-N 1 0 305.378 2.941 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712346 399120634 /nfs/dbraw/zinc/12/06/34/399120634.db2.gz XEWQINSVOLABHZ-BLLLJJGKSA-N 1 0 319.405 2.929 20 5 DFBDRO Cc1ccoc1C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534649 193266114 /nfs/dbraw/zinc/26/61/14/193266114.db2.gz DLSRQVGZPWAZOP-LBPRGKRZSA-N 1 0 302.334 2.578 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc1 ZINC000093534275 193266199 /nfs/dbraw/zinc/26/61/99/193266199.db2.gz FBZBIPSEDVBWSV-UONOGXRCSA-N 1 0 302.378 2.832 20 5 DFBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000060361128 399125613 /nfs/dbraw/zinc/12/56/13/399125613.db2.gz KRCYIOPEHFGOCI-OAHLLOKOSA-N 1 0 319.405 2.579 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000060375316 399126953 /nfs/dbraw/zinc/12/69/53/399126953.db2.gz DOGJCASUGQRGDC-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000094371914 193366945 /nfs/dbraw/zinc/36/69/45/193366945.db2.gz PMJSYWQKZJSRJI-HIFRSBDPSA-N 1 0 308.403 2.739 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000060404234 399129331 /nfs/dbraw/zinc/12/93/31/399129331.db2.gz RUBMJNNCOHESAQ-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CS[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340752098 284210407 /nfs/dbraw/zinc/21/04/07/284210407.db2.gz IURXWZDIWMDNEU-CHWSQXEVSA-N 1 0 315.826 2.730 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CC3CC2(C)C3)cccc1[N+](=O)[O-] ZINC000595917653 399134473 /nfs/dbraw/zinc/13/44/73/399134473.db2.gz ZYKDXEZWSLKJHX-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420114271 296158844 /nfs/dbraw/zinc/15/88/44/296158844.db2.gz DGTBEECRCRSIDY-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420133077 296159334 /nfs/dbraw/zinc/15/93/34/296159334.db2.gz YSCWOUPTSCCMIV-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C1CC[NH2+]CC1 ZINC000420140471 296159629 /nfs/dbraw/zinc/15/96/29/296159629.db2.gz QEXOCWTUFSSAOS-UHFFFAOYSA-N 1 0 318.402 2.907 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC2CC1(C)C2 ZINC000595916431 399135242 /nfs/dbraw/zinc/13/52/42/399135242.db2.gz SYPNLOFTXLVOLE-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1OC ZINC000274902088 212021237 /nfs/dbraw/zinc/02/12/37/212021237.db2.gz HHZGMSCAMODCPG-MRVWCRGKSA-N 1 0 314.769 2.530 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420186645 296161284 /nfs/dbraw/zinc/16/12/84/296161284.db2.gz MFYRYPVRLBLWBD-RYUDHWBXSA-N 1 0 300.362 2.707 20 5 DFBDRO CN(c1nccc2cc([N+](=O)[O-])ccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420209233 296162384 /nfs/dbraw/zinc/16/23/84/296162384.db2.gz BSQHIYBZSGHUEP-NNQSOWQGSA-N 1 0 312.373 2.862 20 5 DFBDRO C[NH2+]C[C@H]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420193991 296161556 /nfs/dbraw/zinc/16/15/56/296161556.db2.gz SIILZIKYZDLKMP-SNVBAGLBSA-N 1 0 317.311 2.968 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420192026 296161558 /nfs/dbraw/zinc/16/15/58/296161558.db2.gz RYTKERNSHLYVCX-ZJUUUORDSA-N 1 0 315.320 2.760 20 5 DFBDRO C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H]1CCC[NH3+] ZINC000595973432 399142915 /nfs/dbraw/zinc/14/29/15/399142915.db2.gz NCOUCNOMPIMJFN-IAQYHMDHSA-N 1 0 323.368 2.714 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000600776877 399141840 /nfs/dbraw/zinc/14/18/40/399141840.db2.gz YAWNQNWCMQRTHY-XKSIXWHQSA-N 1 0 301.390 2.539 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1([NH3+])CCCC1 ZINC000595967501 399142291 /nfs/dbraw/zinc/14/22/91/399142291.db2.gz UJNIBFXGYNEKAG-UHFFFAOYSA-N 1 0 305.378 2.521 20 5 DFBDRO Cc1cc(N2CC[C@@H]([C@@H](C)[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420227044 296163926 /nfs/dbraw/zinc/16/39/26/296163926.db2.gz BJTADVZSAMAERG-VXGBXAGGSA-N 1 0 300.362 2.625 20 5 DFBDRO C[C@]1(CNc2nccc3c2cccc3[N+](=O)[O-])CCC[NH2+]C1 ZINC000420232650 296164042 /nfs/dbraw/zinc/16/40/42/296164042.db2.gz VACAYOWBDKHWMX-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO CC(C)(C[NH3+])c1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000600782071 399144363 /nfs/dbraw/zinc/14/43/63/399144363.db2.gz ITSRJSHMZJXUTA-UHFFFAOYSA-N 1 0 300.358 2.990 20 5 DFBDRO C[C@@]1(C[NH3+])CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420249739 296165630 /nfs/dbraw/zinc/16/56/30/296165630.db2.gz YPOMFYOXKIAVEH-HNNXBMFYSA-N 1 0 318.402 2.893 20 5 DFBDRO C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C[NH3+])C1 ZINC000420253231 296165818 /nfs/dbraw/zinc/16/58/18/296165818.db2.gz AKMPYZQYRNSPGN-BXUZGUMPSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)nc1-c1ccccc1 ZINC000420253543 296165963 /nfs/dbraw/zinc/16/59/63/296165963.db2.gz DWHKPLZTDKVZOU-GJZGRUSLSA-N 1 0 324.384 2.703 20 5 DFBDRO C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C[NH3+])C1 ZINC000420254896 296166189 /nfs/dbraw/zinc/16/61/89/296166189.db2.gz DXGZTWOXVIBDHK-WCQYABFASA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1c(C[C@H](C[NH3+])CO)cccc1-c1ccc([N+](=O)[O-])cc1 ZINC000600789123 399146581 /nfs/dbraw/zinc/14/65/81/399146581.db2.gz REQDWPCLDJROLK-CYBMUJFWSA-N 1 0 300.358 2.680 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420257037 296166262 /nfs/dbraw/zinc/16/62/62/296166262.db2.gz VYPAETNNNKBHIB-SCZZXKLOSA-N 1 0 303.284 2.848 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420258511 296166618 /nfs/dbraw/zinc/16/66/18/296166618.db2.gz XTQRANHAQQIHFX-GWCFXTLKSA-N 1 0 316.336 2.722 20 5 DFBDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000264677396 204070796 /nfs/dbraw/zinc/07/07/96/204070796.db2.gz WPAWRTXZPAUWBG-GFCCVEGCSA-N 1 0 319.405 2.574 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420274062 296168158 /nfs/dbraw/zinc/16/81/58/296168158.db2.gz JMQDQOIUBQRUDE-IUCAKERBSA-N 1 0 301.293 2.736 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420276602 296168312 /nfs/dbraw/zinc/16/83/12/296168312.db2.gz PHBLPDJYPRHYBL-ZIAGYGMSSA-N 1 0 317.389 2.623 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+](Cc1cccc([N+](=O)[O-])c1C)CC2 ZINC000265012681 204341092 /nfs/dbraw/zinc/34/10/92/204341092.db2.gz FUMXHADNTGOVGC-CQSZACIVSA-N 1 0 318.373 2.678 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000596074164 399163245 /nfs/dbraw/zinc/16/32/45/399163245.db2.gz PPKAFQLPZPLWDO-UHFFFAOYSA-N 1 0 317.336 2.913 20 5 DFBDRO C[N@H+](CCNc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000596086830 399168919 /nfs/dbraw/zinc/16/89/19/399168919.db2.gz DFHIOPXLDJRMDD-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO COCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000282547465 217079673 /nfs/dbraw/zinc/07/96/73/217079673.db2.gz CPJOWFHTRZVHMP-UHFFFAOYSA-N 1 0 323.393 2.528 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000080747753 399175172 /nfs/dbraw/zinc/17/51/72/399175172.db2.gz AVMFLNOLOOQNBI-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596112140 399177151 /nfs/dbraw/zinc/17/71/51/399177151.db2.gz HWVWYPYRBWLXBR-SECBINFHSA-N 1 0 314.183 2.721 20 5 DFBDRO C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000342348288 284329531 /nfs/dbraw/zinc/32/95/31/284329531.db2.gz KOFDWAHNFUBKHQ-VIFPVBQESA-N 1 0 323.422 2.988 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000266029722 205041384 /nfs/dbraw/zinc/04/13/84/205041384.db2.gz REZWTMATQSSYJX-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO COc1cc(N2CC[C@H](C[NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596125787 399182778 /nfs/dbraw/zinc/18/27/78/399182778.db2.gz GKFPAZOZHAJRIJ-SNVBAGLBSA-N 1 0 313.785 2.645 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000600956731 399186630 /nfs/dbraw/zinc/18/66/30/399186630.db2.gz GPKTZQUSOREEPY-OIBJUYFYSA-N 1 0 300.156 2.520 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000288307090 220074349 /nfs/dbraw/zinc/07/43/49/220074349.db2.gz IJYTXZFGIIUXMJ-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO CCN(CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+]1CC ZINC000614236449 399185402 /nfs/dbraw/zinc/18/54/02/399185402.db2.gz RIMZLMICKBWEAM-QGZVFWFLSA-N 1 0 305.422 2.944 20 5 DFBDRO COc1cc(NCC[C@H]([NH3+])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000600962021 399188503 /nfs/dbraw/zinc/18/85/03/399188503.db2.gz YMZHQKHGCDFXCL-AWEZNQCLSA-N 1 0 315.373 2.975 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000266128300 205122697 /nfs/dbraw/zinc/12/26/97/205122697.db2.gz CCUGBCLSWAIKAS-MRXNPFEDSA-N 1 0 320.345 2.584 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000600959188 399187338 /nfs/dbraw/zinc/18/73/38/399187338.db2.gz SLAUPMMOYAHEMJ-ZDUSSCGKSA-N 1 0 300.362 2.851 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NCc1cccc3c1CC[NH2+]C3)CCN2 ZINC000600958270 399187471 /nfs/dbraw/zinc/18/74/71/399187471.db2.gz DYSZCEVYQVUUAP-UHFFFAOYSA-N 1 0 324.384 2.821 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596147046 399190426 /nfs/dbraw/zinc/19/04/26/399190426.db2.gz LXRKQHBPKUVAKS-LBPRGKRZSA-N 1 0 324.812 2.811 20 5 DFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000601005690 399201147 /nfs/dbraw/zinc/20/11/47/399201147.db2.gz MRXIZAWCCUHMLF-GFCCVEGCSA-N 1 0 323.368 2.586 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000063703449 399202707 /nfs/dbraw/zinc/20/27/07/399202707.db2.gz XDVJCNMYYUDAMX-UHFFFAOYSA-N 1 0 307.394 2.563 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000063722324 399203424 /nfs/dbraw/zinc/20/34/24/399203424.db2.gz JQKNJXIRUDUXJR-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000420636880 296194608 /nfs/dbraw/zinc/19/46/08/296194608.db2.gz NZGPOCCTIQMJGC-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000266456612 205360718 /nfs/dbraw/zinc/36/07/18/205360718.db2.gz FKNREVNMHVBWAT-MGPQQGTHSA-N 1 0 319.405 2.515 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(NC3CC[NH+](C4CC4)CC3)c2c1 ZINC000601101901 399226596 /nfs/dbraw/zinc/22/65/96/399226596.db2.gz XGWFHXGSJZTTKE-UHFFFAOYSA-N 1 0 312.373 2.604 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000267303717 205970539 /nfs/dbraw/zinc/97/05/39/205970539.db2.gz VJLUBGQPTVFZIC-UHFFFAOYSA-N 1 0 300.380 2.868 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000601103562 399227584 /nfs/dbraw/zinc/22/75/84/399227584.db2.gz DSKKEILNAYQUMT-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO CCOC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000064569264 399227712 /nfs/dbraw/zinc/22/77/12/399227712.db2.gz RHDUMOXEWGOHHP-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000601121261 399233387 /nfs/dbraw/zinc/23/33/87/399233387.db2.gz NKFCJDGHSFPSKN-CQSZACIVSA-N 1 0 310.357 2.594 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601125160 399234230 /nfs/dbraw/zinc/23/42/30/399234230.db2.gz NDNPLXFCTJTCTR-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)O1 ZINC000601148775 399240855 /nfs/dbraw/zinc/24/08/55/399240855.db2.gz AEUZWHCDACIVOD-LNLATYFQSA-N 1 0 316.304 2.852 20 5 DFBDRO Cc1cc(C(=O)NCCCCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000293986749 223804580 /nfs/dbraw/zinc/80/45/80/223804580.db2.gz SCGHVQXVIVEKHV-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO CCCC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1[N+](=O)[O-] ZINC000023991594 182371674 /nfs/dbraw/zinc/37/16/74/182371674.db2.gz SVMMWPWLKZXVLH-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]2C1 ZINC000601183733 399249844 /nfs/dbraw/zinc/24/98/44/399249844.db2.gz DQAQJKWGPRIIFU-OLZOCXBDSA-N 1 0 312.373 2.531 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000601216899 399256773 /nfs/dbraw/zinc/25/67/73/399256773.db2.gz ZCINCHVTVZHPGB-UHFFFAOYSA-N 1 0 304.394 2.835 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601239131 399262352 /nfs/dbraw/zinc/26/23/52/399262352.db2.gz DYVSHLBISZQKHU-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421116859 296236427 /nfs/dbraw/zinc/23/64/27/296236427.db2.gz SISDLOXZDBJZSJ-CQSZACIVSA-N 1 0 320.393 2.715 20 5 DFBDRO C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000037988042 182954925 /nfs/dbraw/zinc/95/49/25/182954925.db2.gz YBUCBFDLGWIUMU-MRVPVSSYSA-N 1 0 302.172 2.719 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C(C)C ZINC000421516487 296262329 /nfs/dbraw/zinc/26/23/29/296262329.db2.gz BWQLVXRUWXMEFH-UHFFFAOYSA-N 1 0 307.394 2.624 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000421549075 296264995 /nfs/dbraw/zinc/26/49/95/296264995.db2.gz FXISESDSFHLPHL-WCQYABFASA-N 1 0 314.345 2.844 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601540186 399298127 /nfs/dbraw/zinc/29/81/27/399298127.db2.gz DZYQQSSISUZJPR-ZDUSSCGKSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609135533 399305325 /nfs/dbraw/zinc/30/53/25/399305325.db2.gz PKGWTXSMHKEYAE-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOc2ccccc2F)cc1 ZINC000609101135 399303404 /nfs/dbraw/zinc/30/34/04/399303404.db2.gz IBLGJDRJNXCVSA-UHFFFAOYSA-N 1 0 304.321 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2-n2cncn2)cc1 ZINC000609222488 399309208 /nfs/dbraw/zinc/30/92/08/399309208.db2.gz OOEVRZHCVGBRQQ-UHFFFAOYSA-N 1 0 323.356 2.508 20 5 DFBDRO Cc1nccn1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260231 399310508 /nfs/dbraw/zinc/31/05/08/399310508.db2.gz HTVYSDKCCKOZCE-QGZVFWFLSA-N 1 0 314.389 2.979 20 5 DFBDRO Cc1nccn1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609260320 399310605 /nfs/dbraw/zinc/31/06/05/399310605.db2.gz IWBITZLTXUVTGL-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1nccn1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609260318 399310998 /nfs/dbraw/zinc/31/09/98/399310998.db2.gz IWBITZLTXUVTGL-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000044503148 183416022 /nfs/dbraw/zinc/41/60/22/183416022.db2.gz CPSHGBZCVJSGDE-SECBINFHSA-N 1 0 314.183 2.769 20 5 DFBDRO Cc1cc(C(=O)NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000421684723 296272381 /nfs/dbraw/zinc/27/23/81/296272381.db2.gz LMSTVMBIFITPIP-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421685104 296272404 /nfs/dbraw/zinc/27/24/04/296272404.db2.gz NTWWKPSDGVBMKZ-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000421752233 296274550 /nfs/dbraw/zinc/27/45/50/296274550.db2.gz QUQBWDODGABYNK-GFCCVEGCSA-N 1 0 319.405 2.673 20 5 DFBDRO Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284098025 217880417 /nfs/dbraw/zinc/88/04/17/217880417.db2.gz MQRLYEOOVAOLKF-SJCJKPOMSA-N 1 0 315.373 2.870 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000601790489 399337098 /nfs/dbraw/zinc/33/70/98/399337098.db2.gz GIKFVOVZSXNLNU-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@@H]([NH2+]CCCNc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184722 217920707 /nfs/dbraw/zinc/92/07/07/217920707.db2.gz RDKXSNNAEQTFSZ-GFCCVEGCSA-N 1 0 315.377 2.725 20 5 DFBDRO CCC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421850601 296277749 /nfs/dbraw/zinc/27/77/49/296277749.db2.gz DKBDBNIIWLIZNW-CQSZACIVSA-N 1 0 305.378 2.681 20 5 DFBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCOC1 ZINC000274046394 211303777 /nfs/dbraw/zinc/30/37/77/211303777.db2.gz OXLPXMZBZWRGQD-WCQYABFASA-N 1 0 317.345 2.764 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421895964 296279432 /nfs/dbraw/zinc/27/94/32/296279432.db2.gz YWYNYEXEDRVNHF-QWHCGFSZSA-N 1 0 305.378 2.504 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000610070546 399341025 /nfs/dbraw/zinc/34/10/25/399341025.db2.gz IPVSQEBIPAPBIA-MRXNPFEDSA-N 1 0 319.405 2.518 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000610112101 399342392 /nfs/dbraw/zinc/34/23/92/399342392.db2.gz WFHCJQCJPSSTJD-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO CC(C)CC[NH+]1CCC(CNc2ncc([N+](=O)[O-])cn2)CC1 ZINC000273934834 211187467 /nfs/dbraw/zinc/18/74/67/211187467.db2.gz KZNJFEKLOHXNHZ-UHFFFAOYSA-N 1 0 307.398 2.555 20 5 DFBDRO Cc1c(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000104977055 194061078 /nfs/dbraw/zinc/06/10/78/194061078.db2.gz FBKUSTISAQSJJK-ZDUSSCGKSA-N 1 0 318.377 2.605 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000619566979 399362963 /nfs/dbraw/zinc/36/29/63/399362963.db2.gz FMHMMCAXJCQSGB-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000610369513 399362471 /nfs/dbraw/zinc/36/24/71/399362471.db2.gz HWWXYLOWVUZGBZ-KGLIPLIRSA-N 1 0 317.389 2.743 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284949464 218246988 /nfs/dbraw/zinc/24/69/88/218246988.db2.gz FBBAYABUGFVBDK-MGPLVRAMSA-N 1 0 319.336 2.700 20 5 DFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000610452003 399369511 /nfs/dbraw/zinc/36/95/11/399369511.db2.gz TZLZSTCWOLPJLU-LBPRGKRZSA-N 1 0 318.352 2.532 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000610473681 399370026 /nfs/dbraw/zinc/37/00/26/399370026.db2.gz ZJYFQJAIPNOTDD-UHFFFAOYSA-N 1 0 319.361 2.755 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCCC12CC2)Nc1ccccc1[N+](=O)[O-] ZINC000601969051 399371369 /nfs/dbraw/zinc/37/13/69/399371369.db2.gz RWZDNRAZIPDJGF-CQSZACIVSA-N 1 0 303.362 2.846 20 5 DFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000345822512 284765073 /nfs/dbraw/zinc/76/50/73/284765073.db2.gz VFSKSGADEGOKIK-CABCVRRESA-N 1 0 319.405 2.723 20 5 DFBDRO CCOCC[N@@H+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000106111874 194187460 /nfs/dbraw/zinc/18/74/60/194187460.db2.gz RZQCYUPROKCTLJ-GJZGRUSLSA-N 1 0 321.421 2.698 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000610539409 399378619 /nfs/dbraw/zinc/37/86/19/399378619.db2.gz ODHCYDFVVRRTNM-HSMVNMDESA-N 1 0 305.378 2.502 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106501878 194220781 /nfs/dbraw/zinc/22/07/81/194220781.db2.gz QJPQAWWCOOVWGW-ZDUSSCGKSA-N 1 0 318.377 2.733 20 5 DFBDRO COC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000602007847 399382456 /nfs/dbraw/zinc/38/24/56/399382456.db2.gz ZYAFJVULHUEEBP-LLVKDONJSA-N 1 0 317.345 2.571 20 5 DFBDRO CC[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000422083537 296298199 /nfs/dbraw/zinc/29/81/99/296298199.db2.gz IHJXMJSLVAJVET-ZDUSSCGKSA-N 1 0 307.375 2.579 20 5 DFBDRO C[S@](=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000610591760 399384453 /nfs/dbraw/zinc/38/44/53/399384453.db2.gz WNHFKFSUGIBVJG-NRFANRHFSA-N 1 0 304.371 2.622 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000602020040 399385899 /nfs/dbraw/zinc/38/58/99/399385899.db2.gz ILGSDKOPUSZQGU-BETUJISGSA-N 1 0 313.357 2.791 20 5 DFBDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070701 399391416 /nfs/dbraw/zinc/39/14/16/399391416.db2.gz HYQRUNGMCZQPEH-MLGOLLRUSA-N 1 0 317.389 2.789 20 5 DFBDRO CCC[NH+]1CCC(N(C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000109788443 194285060 /nfs/dbraw/zinc/28/50/60/194285060.db2.gz JLNJSKNFDFRTCO-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1nccn1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268849101 207016009 /nfs/dbraw/zinc/01/60/09/207016009.db2.gz XNCCKWWDXGNXRB-MRXNPFEDSA-N 1 0 314.389 2.711 20 5 DFBDRO C[C@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000619843831 399395590 /nfs/dbraw/zinc/39/55/90/399395590.db2.gz QSJZJNCZPXDJBG-CYBMUJFWSA-N 1 0 306.410 2.794 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268869296 207036951 /nfs/dbraw/zinc/03/69/51/207036951.db2.gz JOPGKESHXBYXSX-GUYCJALGSA-N 1 0 300.358 2.849 20 5 DFBDRO CC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115194 399397115 /nfs/dbraw/zinc/39/71/15/399397115.db2.gz GUYPUEIUHQIWLR-IUODEOHRSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000602116105 399397404 /nfs/dbraw/zinc/39/74/04/399397404.db2.gz JWMCQOQEHAWCIM-JSGCOSHPSA-N 1 0 305.378 2.565 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000110992390 194378737 /nfs/dbraw/zinc/37/87/37/194378737.db2.gz YUZDAZCZTSOERB-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1c(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000602149057 399401296 /nfs/dbraw/zinc/40/12/96/399401296.db2.gz QKFROOJLLUKMKI-INIZCTEOSA-N 1 0 317.389 2.536 20 5 DFBDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135289 399400336 /nfs/dbraw/zinc/40/03/36/399400336.db2.gz ZGKWWEABSDBKMR-WBMJQRKESA-N 1 0 317.389 2.789 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000055903093 184000259 /nfs/dbraw/zinc/00/02/59/184000259.db2.gz DLMPVUVHXVLMBQ-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000610803580 399408053 /nfs/dbraw/zinc/40/80/53/399408053.db2.gz LKBKMKAQZLMACH-PMPSAXMXSA-N 1 0 304.390 2.809 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000610815170 399409076 /nfs/dbraw/zinc/40/90/76/399409076.db2.gz ZHQHCFAEJJTZRM-KGLIPLIRSA-N 1 0 308.378 2.607 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC[C@H]1CCOC1 ZINC000610815089 399409262 /nfs/dbraw/zinc/40/92/62/399409262.db2.gz POMQIKZPLRVGNN-KGLIPLIRSA-N 1 0 308.378 2.607 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOC(C)(C)C ZINC000610859709 399413035 /nfs/dbraw/zinc/41/30/35/399413035.db2.gz JEHWGFGAQCSEDM-LBPRGKRZSA-N 1 0 323.393 2.669 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CCOC(C)(C)C ZINC000610859708 399413334 /nfs/dbraw/zinc/41/33/34/399413334.db2.gz JEHWGFGAQCSEDM-GFCCVEGCSA-N 1 0 323.393 2.669 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000422724477 296322263 /nfs/dbraw/zinc/32/22/63/296322263.db2.gz VTXTYUGAIPXDHT-CYBMUJFWSA-N 1 0 319.405 2.790 20 5 DFBDRO COc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1OC ZINC000058092778 184074528 /nfs/dbraw/zinc/07/45/28/184074528.db2.gz RJKHBRJSHNQABV-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO Cn1cc(C[NH+]2CCC(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602434445 399443464 /nfs/dbraw/zinc/44/34/64/399443464.db2.gz DXCUXRNDXWTRTL-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO Cc1ccc(CN(C)Cc2cc3c(cc2[N+](=O)[O-])OCCO3)o1 ZINC000611252220 399451911 /nfs/dbraw/zinc/45/19/11/399451911.db2.gz VXDJSUATDKURQL-UHFFFAOYSA-N 1 0 318.329 2.899 20 5 DFBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602473300 399454335 /nfs/dbraw/zinc/45/43/35/399454335.db2.gz LTMWRHXVUAHFCS-CYBMUJFWSA-N 1 0 302.378 2.700 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](CCO)C1 ZINC000602472939 399454619 /nfs/dbraw/zinc/45/46/19/399454619.db2.gz SGXGOXAWKAMSKE-SNVBAGLBSA-N 1 0 318.295 2.818 20 5 DFBDRO Cc1nn(C)cc1[C@@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611285919 399458114 /nfs/dbraw/zinc/45/81/14/399458114.db2.gz PVMBLECTLIBDCV-INIZCTEOSA-N 1 0 316.361 2.679 20 5 DFBDRO C[C@H]([N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(C)CC1 ZINC000611285786 399458363 /nfs/dbraw/zinc/45/83/63/399458363.db2.gz YUDXHTBOGJIUMC-NSHDSACASA-N 1 0 306.362 2.986 20 5 DFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000611298972 399459888 /nfs/dbraw/zinc/45/98/88/399459888.db2.gz DGSYRXSGJGXBAA-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)CC[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000602500183 399461690 /nfs/dbraw/zinc/46/16/90/399461690.db2.gz OUCCEBYKFVAQIK-INIZCTEOSA-N 1 0 319.405 2.849 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CCCC3)CC2)cn1 ZINC000602509668 399463872 /nfs/dbraw/zinc/46/38/72/399463872.db2.gz HECQESLQPNCUAG-UHFFFAOYSA-N 1 0 304.394 2.738 20 5 DFBDRO C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000602519383 399466513 /nfs/dbraw/zinc/46/65/13/399466513.db2.gz XWZLBKZXIRHCMJ-GFCCVEGCSA-N 1 0 318.377 2.558 20 5 DFBDRO C[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)C(C)(C)O ZINC000602529023 399468817 /nfs/dbraw/zinc/46/88/17/399468817.db2.gz SDASYQNBDHHUKH-ZCFIWIBFSA-N 1 0 323.212 2.668 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602534904 399470251 /nfs/dbraw/zinc/47/02/51/399470251.db2.gz VKCFCGKWAMLNGI-LLVKDONJSA-N 1 0 306.366 2.556 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+][C@@H]2CCCOC2)cc1Br ZINC000602539255 399471038 /nfs/dbraw/zinc/47/10/38/399471038.db2.gz HYVBLCUMTQLGIH-SSDOTTSWSA-N 1 0 321.196 2.687 20 5 DFBDRO CC(C)[C@H](O)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602544516 399471565 /nfs/dbraw/zinc/47/15/65/399471565.db2.gz CKLCMHPITOVYHN-SECBINFHSA-N 1 0 323.212 2.525 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CC1(O)CCC1 ZINC000602553204 399474044 /nfs/dbraw/zinc/47/40/44/399474044.db2.gz WMRHMJFLSBMQMY-UHFFFAOYSA-N 1 0 304.268 2.618 20 5 DFBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000602562881 399476392 /nfs/dbraw/zinc/47/63/92/399476392.db2.gz KDCJRMDDCYTHCM-DYVFJYSZSA-N 1 0 322.405 2.995 20 5 DFBDRO CCCC[N@H+](C)CCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602562882 399476622 /nfs/dbraw/zinc/47/66/22/399476622.db2.gz HOUPVXXEANTSKZ-UHFFFAOYSA-N 1 0 306.366 2.558 20 5 DFBDRO C[C@@H](CCO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602563487 399477631 /nfs/dbraw/zinc/47/76/31/399477631.db2.gz WWRPIBOKBABFJG-ZETCQYMHSA-N 1 0 323.212 2.527 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CN(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611475955 399479836 /nfs/dbraw/zinc/47/98/36/399479836.db2.gz ZWQTXBNGKXWIKF-KCQAQPDRSA-N 1 0 321.421 2.984 20 5 DFBDRO CC[C@@H](CSC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602579757 399481326 /nfs/dbraw/zinc/48/13/26/399481326.db2.gz BXKIVSXCWITYSS-LBPRGKRZSA-N 1 0 324.450 2.690 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602578796 399481781 /nfs/dbraw/zinc/48/17/81/399481781.db2.gz HDEBSSLABLJHMK-ZDUSSCGKSA-N 1 0 305.378 2.555 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501864 399483016 /nfs/dbraw/zinc/48/30/16/399483016.db2.gz JOAMGCAJSSXNIZ-RISCZKNCSA-N 1 0 323.368 2.912 20 5 DFBDRO COc1cc(C[C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000602580945 399482128 /nfs/dbraw/zinc/48/21/28/399482128.db2.gz QNDDOFLXADNZGJ-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO COc1cc(C[C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000602580947 399482278 /nfs/dbraw/zinc/48/22/78/399482278.db2.gz QNDDOFLXADNZGJ-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)C(C)(C)n1cncn1)c1ccccc1[N+](=O)[O-] ZINC000602583786 399483136 /nfs/dbraw/zinc/48/31/36/399483136.db2.gz UROGBBOCDQDHMO-VXGBXAGGSA-N 1 0 303.366 2.661 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501863 399483173 /nfs/dbraw/zinc/48/31/73/399483173.db2.gz JOAMGCAJSSXNIZ-FZMZJTMJSA-N 1 0 323.368 2.912 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000611501834 399483229 /nfs/dbraw/zinc/48/32/29/399483229.db2.gz ITWJHLGVJYFVKW-FZMZJTMJSA-N 1 0 323.368 2.912 20 5 DFBDRO CCOc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000611510287 399484988 /nfs/dbraw/zinc/48/49/88/399484988.db2.gz GXAFIBUQKHZNDO-WFASDCNBSA-N 1 0 305.378 2.524 20 5 DFBDRO CCOc1cc(N2CC[C@H]3CC[N@H+](C)C[C@@H]32)ccc1[N+](=O)[O-] ZINC000611510284 399485154 /nfs/dbraw/zinc/48/51/54/399485154.db2.gz GXAFIBUQKHZNDO-DOMZBBRYSA-N 1 0 305.378 2.524 20 5 DFBDRO COc1cc(C[NH2+][C@@](C)(CO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000611515746 399485877 /nfs/dbraw/zinc/48/58/77/399485877.db2.gz RPDYTSZCRKTJQS-KRWDZBQOSA-N 1 0 316.357 2.601 20 5 DFBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602597272 399486673 /nfs/dbraw/zinc/48/66/73/399486673.db2.gz ACUCYGPGBSEGBK-BDAKNGLRSA-N 1 0 306.284 2.863 20 5 DFBDRO Cc1nnsc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602605519 399487788 /nfs/dbraw/zinc/48/77/88/399487788.db2.gz RUHYEBYSYBTXQQ-UHFFFAOYSA-N 1 0 312.782 2.740 20 5 DFBDRO COCC[C@@H](Cc1ccco1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602610315 399489162 /nfs/dbraw/zinc/48/91/62/399489162.db2.gz SPUOCOJBHICAFE-HNNXBMFYSA-N 1 0 318.373 2.968 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)n1 ZINC000611555509 399491230 /nfs/dbraw/zinc/49/12/30/399491230.db2.gz UBOIMAXFRIPRQB-HLRDLLSLSA-N 1 0 312.373 2.969 20 5 DFBDRO CO[C@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602629006 399495546 /nfs/dbraw/zinc/49/55/46/399495546.db2.gz ZMIBCUMNCCINKJ-ZCFIWIBFSA-N 1 0 309.185 2.543 20 5 DFBDRO CC(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000602628614 399495688 /nfs/dbraw/zinc/49/56/88/399495688.db2.gz CHRBMBCLIRJCLB-MRXNPFEDSA-N 1 0 316.405 2.900 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000611616730 399498969 /nfs/dbraw/zinc/49/89/69/399498969.db2.gz AFYQGFPRNCRKGK-AWEZNQCLSA-N 1 0 306.410 2.917 20 5 DFBDRO Cc1ncc([C@@H](C)N(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602659204 399505605 /nfs/dbraw/zinc/50/56/05/399505605.db2.gz JWNYRAARKLOCOV-GFCCVEGCSA-N 1 0 315.377 2.528 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000422821162 296339288 /nfs/dbraw/zinc/33/92/88/296339288.db2.gz URALGQONROICAQ-VXGBXAGGSA-N 1 0 305.378 2.541 20 5 DFBDRO CC(C)[NH2+]C1CCN(c2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000611708600 399508312 /nfs/dbraw/zinc/50/83/12/399508312.db2.gz GKAXGUXGDHWPEN-UHFFFAOYSA-N 1 0 315.377 2.505 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCSC[C@@H]1CCO ZINC000347365774 285016993 /nfs/dbraw/zinc/01/69/93/285016993.db2.gz UMTMNHOHQBPVIW-OVHOFWQVSA-N 1 0 322.430 2.798 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000248465957 285021279 /nfs/dbraw/zinc/02/12/79/285021279.db2.gz RZBAXYFLHQCDFS-ZIAGYGMSSA-N 1 0 310.394 2.701 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000602670478 399512595 /nfs/dbraw/zinc/51/25/95/399512595.db2.gz FWJZNNJMSBGFEB-GFCCVEGCSA-N 1 0 318.295 2.960 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671673 399513613 /nfs/dbraw/zinc/51/36/13/399513613.db2.gz SRYYNFQSWWZBDE-GFCCVEGCSA-N 1 0 320.393 2.946 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000602672461 399513741 /nfs/dbraw/zinc/51/37/41/399513741.db2.gz OYRMBUZMFQMALW-DGCLKSJQSA-N 1 0 318.295 2.573 20 5 DFBDRO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119774457 195034194 /nfs/dbraw/zinc/03/41/94/195034194.db2.gz PHUUQMQOKAJQNQ-KFWWJZLASA-N 1 0 321.421 2.745 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000119912069 195060404 /nfs/dbraw/zinc/06/04/04/195060404.db2.gz DRSGIZCZJHIHQQ-OAGGEKHMSA-N 1 0 304.390 2.883 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000120007209 195078899 /nfs/dbraw/zinc/07/88/99/195078899.db2.gz YOCBWGYXBJMKAI-HNNXBMFYSA-N 1 0 314.389 2.883 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)O ZINC000602684351 399519615 /nfs/dbraw/zinc/51/96/15/399519615.db2.gz WMWALAANZPEYBD-MUWHJKNJSA-N 1 0 323.212 2.668 20 5 DFBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602691681 399523412 /nfs/dbraw/zinc/52/34/12/399523412.db2.gz PXPMYARRXXNIOR-CZUORRHYSA-N 1 0 318.421 2.983 20 5 DFBDRO C[N@H+](CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602689031 399521899 /nfs/dbraw/zinc/52/18/99/399521899.db2.gz VISISLLBZPHWCR-UHFFFAOYSA-N 1 0 318.377 2.700 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)C2CCOCC2)cc1 ZINC000602701262 399527628 /nfs/dbraw/zinc/52/76/28/399527628.db2.gz YGNRDSJVKVFJJJ-QGZVFWFLSA-N 1 0 304.390 2.932 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000301333252 285076944 /nfs/dbraw/zinc/07/69/44/285076944.db2.gz FIXGSKGZAUPMIZ-SCRDCRAPSA-N 1 0 305.353 2.654 20 5 DFBDRO CC(C)(F)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602709721 399532540 /nfs/dbraw/zinc/53/25/40/399532540.db2.gz IQDMUECOGHICDC-UHFFFAOYSA-N 1 0 310.373 2.686 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000602730738 399544092 /nfs/dbraw/zinc/54/40/92/399544092.db2.gz HQTSKGAEURIQRK-GXTWGEPZSA-N 1 0 300.362 2.819 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000602730240 399544278 /nfs/dbraw/zinc/54/42/78/399544278.db2.gz ZKRVWVHVQLCYOQ-ZBEGNZNMSA-N 1 0 306.362 2.534 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1[N+](=O)[O-] ZINC000347662950 285119408 /nfs/dbraw/zinc/11/94/08/285119408.db2.gz NTQFVSJBBWQHGN-HNNXBMFYSA-N 1 0 320.389 2.994 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000602752351 399556490 /nfs/dbraw/zinc/55/64/90/399556490.db2.gz LRPPDMALUBAKJB-YXMMZVCTSA-N 1 0 301.390 2.634 20 5 DFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1C ZINC000602760423 399559770 /nfs/dbraw/zinc/55/97/70/399559770.db2.gz OEPCAVSMKFGXEZ-UHFFFAOYSA-N 1 0 302.378 2.930 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000286474778 219008498 /nfs/dbraw/zinc/00/84/98/219008498.db2.gz PNNVUSDMNYKHIJ-LLVKDONJSA-N 1 0 313.348 2.789 20 5 DFBDRO CC[N@@H+](CCc1ccccc1)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602767243 399562176 /nfs/dbraw/zinc/56/21/76/399562176.db2.gz STIKLNYXRPDFAU-UHFFFAOYSA-N 1 0 302.378 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@H]([NH+]4CC=CC4)C3)ccc2c1 ZINC000266213815 285150452 /nfs/dbraw/zinc/15/04/52/285150452.db2.gz GTAWRGYNUBNDCE-HNNXBMFYSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cc1 ZINC000288710527 220363370 /nfs/dbraw/zinc/36/33/70/220363370.db2.gz ZFGWCSWOWJMVQN-CQSZACIVSA-N 1 0 302.305 2.827 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000602778137 399568712 /nfs/dbraw/zinc/56/87/12/399568712.db2.gz FKUSLZPMDLQSIS-CJNGLKHVSA-N 1 0 314.389 2.978 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000288726570 220373905 /nfs/dbraw/zinc/37/39/05/220373905.db2.gz KZLFISINJUPDLP-DFBGVHRSSA-N 1 0 305.378 2.550 20 5 DFBDRO CC(C)[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000602780948 399570164 /nfs/dbraw/zinc/57/01/64/399570164.db2.gz DHZSLJKTBBTTCI-CQSZACIVSA-N 1 0 306.341 2.954 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCCOC1)C1CC1 ZINC000178424951 285161263 /nfs/dbraw/zinc/16/12/63/285161263.db2.gz SRUOOXUXJIFIJP-XJKSGUPXSA-N 1 0 304.390 2.932 20 5 DFBDRO CCSCC[C@H](C)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602794309 399576837 /nfs/dbraw/zinc/57/68/37/399576837.db2.gz VIGCIDTWBJQBPR-NSHDSACASA-N 1 0 300.428 2.563 20 5 DFBDRO CC[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000602798879 399579444 /nfs/dbraw/zinc/57/94/44/399579444.db2.gz GVYGXSZBRAHGAH-AWEZNQCLSA-N 1 0 304.350 2.578 20 5 DFBDRO CCOc1ccc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000423211224 296392839 /nfs/dbraw/zinc/39/28/39/296392839.db2.gz ILDPGJDSGMDLSY-YXQSOJMXSA-N 1 0 319.405 2.927 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000602806129 399582407 /nfs/dbraw/zinc/58/24/07/399582407.db2.gz LVNWRPVFIAKDHO-GXSJLCMTSA-N 1 0 320.315 2.763 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000602806511 399582725 /nfs/dbraw/zinc/58/27/25/399582725.db2.gz VCMDHFCBBQHWCT-QWHCGFSZSA-N 1 0 302.378 2.882 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCC2)c(Cl)c1 ZINC000189080449 285173102 /nfs/dbraw/zinc/17/31/02/285173102.db2.gz NDALRJITAXUZJQ-LLVKDONJSA-N 1 0 310.785 2.708 20 5 DFBDRO CCOc1cccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])c1 ZINC000602803636 399580745 /nfs/dbraw/zinc/58/07/45/399580745.db2.gz ZKHILVWHHDTIHI-GFCCVEGCSA-N 1 0 318.377 2.849 20 5 DFBDRO C[C@H](CO)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271406926 208886224 /nfs/dbraw/zinc/88/62/24/208886224.db2.gz ABDLBCMWOPETCK-XJKSGUPXSA-N 1 0 306.406 2.914 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@@H](C(F)(F)F)C[C@@H]1C ZINC000602838297 399595976 /nfs/dbraw/zinc/59/59/76/399595976.db2.gz BDNINQZPSPTTCM-GXSJLCMTSA-N 1 0 320.315 2.763 20 5 DFBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156530749 197121217 /nfs/dbraw/zinc/12/12/17/197121217.db2.gz ZSGMZDGXOXYUKO-PBHICJAKSA-N 1 0 314.389 2.917 20 5 DFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCc3cnccn3)C2)cc1 ZINC000602843982 399599286 /nfs/dbraw/zinc/59/92/86/399599286.db2.gz ZQZOBUKXMPJEEJ-HNNXBMFYSA-N 1 0 312.373 2.807 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)cc1[N+](=O)[O-] ZINC000271552532 209006382 /nfs/dbraw/zinc/00/63/82/209006382.db2.gz VYSOXTDIKHESJW-JSGCOSHPSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000156016041 197080687 /nfs/dbraw/zinc/08/06/87/197080687.db2.gz JIDGVIHAFSHDAH-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000130990779 285221209 /nfs/dbraw/zinc/22/12/09/285221209.db2.gz YUMPIIHPBHKHEX-CYBMUJFWSA-N 1 0 319.386 2.655 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3(CO)CC3)s2)cc1 ZINC000120366220 195152778 /nfs/dbraw/zinc/15/27/78/195152778.db2.gz PPTOYCXNFIPMSR-UHFFFAOYSA-N 1 0 304.371 2.938 20 5 DFBDRO C[C@@H]([NH2+][C@H](CO)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294695392 224173432 /nfs/dbraw/zinc/17/34/32/224173432.db2.gz ISZTYFNRCYPKBB-MEBBXXQBSA-N 1 0 319.336 2.700 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000602872104 399611682 /nfs/dbraw/zinc/61/16/82/399611682.db2.gz CNCCIXMHEQMTMK-JTQLQIEISA-N 1 0 316.352 2.903 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423519266 296425445 /nfs/dbraw/zinc/42/54/45/296425445.db2.gz DCQFCPWDLUGKOC-CFVMTHIKSA-N 1 0 317.389 2.528 20 5 DFBDRO CC(C)Oc1cccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)c1 ZINC000120608283 195201098 /nfs/dbraw/zinc/20/10/98/195201098.db2.gz GWIMJOWDBJONAL-UHFFFAOYSA-N 1 0 318.377 2.711 20 5 DFBDRO CC[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271562192 209016111 /nfs/dbraw/zinc/01/61/11/209016111.db2.gz UOXMHFKTBUFKKD-NEPJUHHUSA-N 1 0 306.284 2.949 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289518327 221035189 /nfs/dbraw/zinc/03/51/89/221035189.db2.gz VMSALANAFZMMIN-AWEZNQCLSA-N 1 0 317.389 2.680 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H](CO)C2CCCC2)c(F)c1 ZINC000289593156 221091217 /nfs/dbraw/zinc/09/12/17/221091217.db2.gz RBQAMDGIPCGMBB-AWEZNQCLSA-N 1 0 300.305 2.514 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000289645383 221126115 /nfs/dbraw/zinc/12/61/15/221126115.db2.gz FXUPQOWMDMJMLY-GDBMZVCRSA-N 1 0 314.389 2.861 20 5 DFBDRO CC[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1)OC ZINC000289676219 221146814 /nfs/dbraw/zinc/14/68/14/221146814.db2.gz CEGSMKIOPUIOSI-OAHLLOKOSA-N 1 0 318.377 2.510 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000289699207 221162885 /nfs/dbraw/zinc/16/28/85/221162885.db2.gz GZNIXCWLSSVOPT-LBPRGKRZSA-N 1 0 320.393 2.573 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000289743045 221196575 /nfs/dbraw/zinc/19/65/75/221196575.db2.gz KRWHIPMNELUZEV-SNVBAGLBSA-N 1 0 306.391 2.956 20 5 DFBDRO COCC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000294933143 224320902 /nfs/dbraw/zinc/32/09/02/224320902.db2.gz DJZFEMLCQCPCKI-UHFFFAOYSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000289858933 221275026 /nfs/dbraw/zinc/27/50/26/221275026.db2.gz GIFRLZYLWDIKNN-ILXRZTDVSA-N 1 0 305.378 2.550 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000289931037 221324645 /nfs/dbraw/zinc/32/46/45/221324645.db2.gz ALLKHPBXCUCYPD-HNNXBMFYSA-N 1 0 320.776 2.941 20 5 DFBDRO C[N@H+](CCC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000289987174 221362613 /nfs/dbraw/zinc/36/26/13/221362613.db2.gz ZYPPTSJGYAOVTB-UHFFFAOYSA-N 1 0 319.386 2.631 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cs1 ZINC000290020748 221385014 /nfs/dbraw/zinc/38/50/14/221385014.db2.gz ZMVNAWPVDDFGMI-GDBMZVCRSA-N 1 0 318.398 2.912 20 5 DFBDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000603029160 399661495 /nfs/dbraw/zinc/66/14/95/399661495.db2.gz KGEATCDHSHYDHA-KRWDZBQOSA-N 1 0 319.405 2.801 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000612611556 399689523 /nfs/dbraw/zinc/68/95/23/399689523.db2.gz NOPIXSINMAZYQT-LLVKDONJSA-N 1 0 324.356 2.728 20 5 DFBDRO COc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000423728688 296442124 /nfs/dbraw/zinc/44/21/24/296442124.db2.gz TUXPHIBDCDQZFC-QWHCGFSZSA-N 1 0 321.377 2.840 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423742915 296442915 /nfs/dbraw/zinc/44/29/15/296442915.db2.gz LHDGJMBFJAWKQS-YPMHNXCESA-N 1 0 305.378 2.575 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000612790173 399724190 /nfs/dbraw/zinc/72/41/90/399724190.db2.gz ADMHZKISUMIGRV-SKDRFNHKSA-N 1 0 315.320 2.948 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCOC1 ZINC000348139740 285377041 /nfs/dbraw/zinc/37/70/41/285377041.db2.gz JHJKDOPOBXORKP-MNOVXSKESA-N 1 0 305.334 2.641 20 5 DFBDRO Cc1nn(CC[C@@H]2CCCC[N@H+]2C)c2ncc([N+](=O)[O-])cc12 ZINC000603324501 399745062 /nfs/dbraw/zinc/74/50/62/399745062.db2.gz GVNKOMDRJCYOAT-LBPRGKRZSA-N 1 0 303.366 2.522 20 5 DFBDRO Cc1nn(CC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ncc([N+](=O)[O-])cc12 ZINC000603322835 399744146 /nfs/dbraw/zinc/74/41/46/399744146.db2.gz VIBJEVQFWNLHRQ-VXGBXAGGSA-N 1 0 317.393 2.626 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000278907464 285407310 /nfs/dbraw/zinc/40/73/10/285407310.db2.gz VOISPVXIAOGZBG-RCBQFDQVSA-N 1 0 308.378 2.748 20 5 DFBDRO C[C@@H](CCCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296456327 533561378 /nfs/dbraw/zinc/56/13/78/533561378.db2.gz MZXBHTBNSWUMLG-XJKSGUPXSA-N 1 0 306.406 2.914 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000423972499 296470195 /nfs/dbraw/zinc/47/01/95/296470195.db2.gz ZSWVSKRVQOYBMI-CYBMUJFWSA-N 1 0 317.345 2.588 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617729035 399784887 /nfs/dbraw/zinc/78/48/87/399784887.db2.gz LDNAONBOGHIJDZ-STQMWFEESA-N 1 0 307.394 2.545 20 5 DFBDRO Cc1c(NC(=O)NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000298380677 132059625 /nfs/dbraw/zinc/05/96/25/132059625.db2.gz FHCARYXOTGRZAR-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO O=[N+]([O-])c1ncccc1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000603838908 399807819 /nfs/dbraw/zinc/80/78/19/399807819.db2.gz VMFDSMHVBYXRND-CYBMUJFWSA-N 1 0 302.334 2.832 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617831912 399811388 /nfs/dbraw/zinc/81/13/88/399811388.db2.gz WGMINXBKLNMTKE-HIFRSBDPSA-N 1 0 319.405 2.687 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424376484 296505806 /nfs/dbraw/zinc/50/58/06/296505806.db2.gz PJUKXEYHEYVGAP-IACUBPJLSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424421168 296508505 /nfs/dbraw/zinc/50/85/05/296508505.db2.gz XPRLVJOZGQRJEQ-VXGBXAGGSA-N 1 0 306.366 2.603 20 5 DFBDRO CN(C(=O)CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000604533071 399853359 /nfs/dbraw/zinc/85/33/59/399853359.db2.gz YGEKTDANKTYOCA-UHFFFAOYSA-N 1 0 313.357 2.738 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1O ZINC000318561633 533674381 /nfs/dbraw/zinc/67/43/81/533674381.db2.gz KTPZLOBBZDAERG-UHFFFAOYSA-N 1 0 302.330 2.907 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000172082378 145290008 /nfs/dbraw/zinc/29/00/08/145290008.db2.gz GMIUMLUNXIJIBN-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172956816 145325798 /nfs/dbraw/zinc/32/57/98/145325798.db2.gz FHNODJSEATUDFX-HONMWMINSA-N 1 0 303.362 2.510 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173332699 145340172 /nfs/dbraw/zinc/34/01/72/145340172.db2.gz WZOPBUCKRZHSEG-DZGCQCFKSA-N 1 0 318.377 2.685 20 5 DFBDRO Cc1ccc2[nH]c(C[NH2+]CCn3cc([N+](=O)[O-])cn3)cc2c1C ZINC000349618345 285899435 /nfs/dbraw/zinc/89/94/35/285899435.db2.gz YESNOLURJPJJRZ-UHFFFAOYSA-N 1 0 313.361 2.679 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000247078775 146160349 /nfs/dbraw/zinc/16/03/49/146160349.db2.gz WXJFCFSKFXGFEH-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248905031 146176678 /nfs/dbraw/zinc/17/66/78/146176678.db2.gz XYRGXMFEDXFOCX-CHWSQXEVSA-N 1 0 320.393 2.837 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000255029009 146231241 /nfs/dbraw/zinc/23/12/41/146231241.db2.gz TVEVAJJLSAUZAJ-AJHXJQRKSA-N 1 0 303.406 2.882 20 5 DFBDRO NC(=O)CC[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255361151 146233011 /nfs/dbraw/zinc/23/30/11/146233011.db2.gz UWVMNLWVGFLMHK-HJHHMULASA-N 1 0 317.389 2.586 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261958412 146310423 /nfs/dbraw/zinc/31/04/23/146310423.db2.gz XJKSORJOTOBPOV-INIZCTEOSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc([N+](=O)[O-])c1 ZINC000261957904 146310478 /nfs/dbraw/zinc/31/04/78/146310478.db2.gz XHIGIKGXBRTBBG-MRXNPFEDSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261975806 146313824 /nfs/dbraw/zinc/31/38/24/146313824.db2.gz QRYNNCBPSZXNAH-NEPJUHHUSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000261980883 146314730 /nfs/dbraw/zinc/31/47/30/146314730.db2.gz RHXFRBYDXINOKS-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262435326 146358839 /nfs/dbraw/zinc/35/88/39/146358839.db2.gz GHXSQKZVAWLDSX-BXUZGUMPSA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262435328 146360029 /nfs/dbraw/zinc/36/00/29/146360029.db2.gz GHXSQKZVAWLDSX-RISCZKNCSA-N 1 0 305.378 2.550 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000354405856 147025696 /nfs/dbraw/zinc/02/56/96/147025696.db2.gz RSEOQVBGAVUXHI-HIFRSBDPSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@@H]1C ZINC000354414920 147028285 /nfs/dbraw/zinc/02/82/85/147028285.db2.gz ZEZIFKQVDJAGMQ-WDEREUQCSA-N 1 0 311.407 2.601 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354435491 147035524 /nfs/dbraw/zinc/03/55/24/147035524.db2.gz PIQCYJGHNMNZRM-JQWIXIFHSA-N 1 0 311.407 2.601 20 5 DFBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832830 147167693 /nfs/dbraw/zinc/16/76/93/147167693.db2.gz NRMLLRLIQMIIGE-NEPJUHHUSA-N 1 0 318.352 2.938 20 5 DFBDRO CCOCCO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000355227978 147231511 /nfs/dbraw/zinc/23/15/11/147231511.db2.gz VSLACBQGYFGHJL-OAHLLOKOSA-N 1 0 308.378 2.531 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357668512 148078183 /nfs/dbraw/zinc/07/81/83/148078183.db2.gz VYXDZOYYMMSAFJ-NEPJUHHUSA-N 1 0 306.366 2.507 20 5 DFBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927995 148178776 /nfs/dbraw/zinc/17/87/76/148178776.db2.gz JUKUTVIKKRRNSA-UONOGXRCSA-N 1 0 324.425 2.707 20 5 DFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350254072 286021661 /nfs/dbraw/zinc/02/16/61/286021661.db2.gz QRBDIGHEJKCWEX-SNVBAGLBSA-N 1 0 312.341 2.944 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000358154314 148263410 /nfs/dbraw/zinc/26/34/10/148263410.db2.gz NTJUWFVXEGVZBL-RHSMWYFYSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(N)=O)CC1 ZINC000358185135 148276598 /nfs/dbraw/zinc/27/65/98/148276598.db2.gz XLDDHRKWZJEBBS-GRTSSRMGSA-N 1 0 319.405 2.550 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(OC3CCCCC3)CC2)n1 ZINC000358276450 148315625 /nfs/dbraw/zinc/31/56/25/148315625.db2.gz PUEKYEKCHHONCP-UHFFFAOYSA-N 1 0 322.409 2.605 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000361042546 149015937 /nfs/dbraw/zinc/01/59/37/149015937.db2.gz LKYSYYIKFRMEQK-AWEZNQCLSA-N 1 0 323.441 2.900 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)C1CC1 ZINC000361070281 149022254 /nfs/dbraw/zinc/02/22/54/149022254.db2.gz VAMWHZYQTPJHIN-DOTOQJQBSA-N 1 0 315.417 2.742 20 5 DFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000361136451 149036846 /nfs/dbraw/zinc/03/68/46/149036846.db2.gz QNSWEYTYESTHOR-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO Cc1c(Cc2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265814 149069955 /nfs/dbraw/zinc/06/99/55/149069955.db2.gz PMVIJLSFRJPMSQ-ZWNOBZJWSA-N 1 0 316.361 2.542 20 5 DFBDRO Cc1cc(Cc2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263840 149070009 /nfs/dbraw/zinc/07/00/09/149070009.db2.gz WEWJQEXFKCEDMR-DGCLKSJQSA-N 1 0 316.361 2.542 20 5 DFBDRO C[C@@]1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCOC1 ZINC000361398300 149105356 /nfs/dbraw/zinc/10/53/56/149105356.db2.gz RXLWVBLXQRUCLC-WBVHZDCISA-N 1 0 304.390 2.932 20 5 DFBDRO CCOc1cc(NCCN2CCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000362656052 149334268 /nfs/dbraw/zinc/33/42/68/149334268.db2.gz KHTQDGNJCJBWOV-AWEZNQCLSA-N 1 0 323.393 2.516 20 5 DFBDRO CCOc1cc(NCCN2CCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000362656053 149334400 /nfs/dbraw/zinc/33/44/00/149334400.db2.gz KHTQDGNJCJBWOV-CQSZACIVSA-N 1 0 323.393 2.516 20 5 DFBDRO CSc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1[N+](=O)[O-] ZINC000362756814 149359870 /nfs/dbraw/zinc/35/98/70/149359870.db2.gz PLYYUOWTHKFKSV-GHMZBOCLSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000351272157 286119710 /nfs/dbraw/zinc/11/97/10/286119710.db2.gz UAJMJIDEYSZDMS-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(=O)c1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000367713084 149634623 /nfs/dbraw/zinc/63/46/23/149634623.db2.gz PSJOHRHUZSMNOB-KGLIPLIRSA-N 1 0 303.362 2.836 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000351503165 286137618 /nfs/dbraw/zinc/13/76/18/286137618.db2.gz OXFBENFOXGYQIP-JKOXKOMZSA-N 1 0 306.362 2.785 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC2(C1)CCCCCC2 ZINC000371291610 150016872 /nfs/dbraw/zinc/01/68/72/150016872.db2.gz KGOMSCWWRZKEGV-UHFFFAOYSA-N 1 0 319.405 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000371307306 150019436 /nfs/dbraw/zinc/01/94/36/150019436.db2.gz CTAQALCHIPSSAC-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nccn2C1 ZINC000371480942 150054358 /nfs/dbraw/zinc/05/43/58/150054358.db2.gz SCXISNWBTBETIX-DZGCQCFKSA-N 1 0 314.389 2.717 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000372056567 150130679 /nfs/dbraw/zinc/13/06/79/150130679.db2.gz RJFSIPGEBKFRCY-SWLSCSKDSA-N 1 0 314.389 2.786 20 5 DFBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000351602869 286166085 /nfs/dbraw/zinc/16/60/85/286166085.db2.gz JCKKTEADNZIMMX-WDEREUQCSA-N 1 0 324.356 2.680 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372861711 150194246 /nfs/dbraw/zinc/19/42/46/150194246.db2.gz XPSMFCUJYCKOFM-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1ccc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000351627301 286174295 /nfs/dbraw/zinc/17/42/95/286174295.db2.gz GCVASUWEQVPJAP-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000373773486 150256047 /nfs/dbraw/zinc/25/60/47/150256047.db2.gz URIDONDLNBVKFA-FVQBIDKESA-N 1 0 320.389 2.849 20 5 DFBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374038836 150296575 /nfs/dbraw/zinc/29/65/75/150296575.db2.gz BTONPGRJGGEQQR-HIFRSBDPSA-N 1 0 314.389 2.781 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375034778 150389493 /nfs/dbraw/zinc/38/94/93/150389493.db2.gz DHTZPXYMBLVDGP-WFASDCNBSA-N 1 0 309.797 2.774 20 5 DFBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000351738034 286206811 /nfs/dbraw/zinc/20/68/11/286206811.db2.gz VJCXALZIWVVSJQ-NXEZZACHSA-N 1 0 300.305 2.778 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000354985376 286229344 /nfs/dbraw/zinc/22/93/44/286229344.db2.gz SMNUYQUGUCPMJW-APHBMKBZSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[NH+](CC)CCCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000428108548 296680635 /nfs/dbraw/zinc/68/06/35/296680635.db2.gz SUOGMAUGGVREGV-UHFFFAOYSA-N 1 0 323.393 2.834 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352367986 286355214 /nfs/dbraw/zinc/35/52/14/286355214.db2.gz RVXFJUUHCFIEKC-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO COc1cc(C[NH+]2CCC(c3cc[nH]n3)CC2)ccc1[N+](=O)[O-] ZINC000352399915 286364013 /nfs/dbraw/zinc/36/40/13/286364013.db2.gz OJVDRDGZDBWLEF-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000352417207 286368274 /nfs/dbraw/zinc/36/82/74/286368274.db2.gz YOVPOIQONAULDB-GFCCVEGCSA-N 1 0 308.382 2.837 20 5 DFBDRO COc1cc(C[N@H+](CCCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352404060 286364901 /nfs/dbraw/zinc/36/49/01/286364901.db2.gz BLGCXBLQMBDAJL-UHFFFAOYSA-N 1 0 310.394 2.834 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429660253 296754092 /nfs/dbraw/zinc/75/40/92/296754092.db2.gz NAUAJAVYMWZWPJ-UHFFFAOYSA-N 1 0 305.334 2.588 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354984391 158248919 /nfs/dbraw/zinc/24/89/19/158248919.db2.gz PHHVXSCBADRUTA-IVMMDQJWSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000355055240 158262307 /nfs/dbraw/zinc/26/23/07/158262307.db2.gz DHWUBULVKNXJFO-UHFFFAOYSA-N 1 0 305.378 2.680 20 5 DFBDRO CCOCCO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355208868 158298308 /nfs/dbraw/zinc/29/83/08/158298308.db2.gz ICBMKZLSXGZAIE-GMNBZTITSA-N 1 0 320.389 2.735 20 5 DFBDRO CCCCO[C@@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082057 158361211 /nfs/dbraw/zinc/36/12/11/158361211.db2.gz WRVQRPMQOBJTGQ-HUUCEWRRSA-N 1 0 324.425 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000358384601 158374402 /nfs/dbraw/zinc/37/44/02/158374402.db2.gz ZJBITJMHAMSJRM-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000358392724 158376282 /nfs/dbraw/zinc/37/62/82/158376282.db2.gz XPQKOXOMNQKGLT-UONOGXRCSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376516625 158891477 /nfs/dbraw/zinc/89/14/77/158891477.db2.gz CRUKAJAUQRCNRM-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CC[NH2+]CC23CCCCC3)cc1 ZINC000431070388 296820571 /nfs/dbraw/zinc/82/05/71/296820571.db2.gz KTJOAZZOPRGNMK-UHFFFAOYSA-N 1 0 319.405 2.582 20 5 DFBDRO C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278691177 286899711 /nfs/dbraw/zinc/89/97/11/286899711.db2.gz KMIMMUMJOBSJCT-BLLLJJGKSA-N 1 0 300.362 2.847 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432317395 296871369 /nfs/dbraw/zinc/87/13/69/296871369.db2.gz IEMJBLVOSYCUBW-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000432325080 296871852 /nfs/dbraw/zinc/87/18/52/296871852.db2.gz JNBVSVQWGVLSTQ-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C1CC1 ZINC000130747063 196106753 /nfs/dbraw/zinc/10/67/53/196106753.db2.gz WCVVEFKLAVLKMF-CXAGYDPISA-N 1 0 317.433 2.988 20 5 DFBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Br ZINC000054127893 425889486 /nfs/dbraw/zinc/88/94/86/425889486.db2.gz WCJARUAJWMODLS-UHFFFAOYSA-N 1 0 302.172 2.721 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000131494714 196174430 /nfs/dbraw/zinc/17/44/30/196174430.db2.gz UMHRYROPSREZJI-AWEZNQCLSA-N 1 0 320.776 2.941 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000131739810 196194941 /nfs/dbraw/zinc/19/49/41/196194941.db2.gz AIDCARVFVIBIQO-CQSZACIVSA-N 1 0 320.389 2.612 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295576105 225004981 /nfs/dbraw/zinc/00/49/81/225004981.db2.gz BCAMYGNWFUKRJV-CYBMUJFWSA-N 1 0 303.406 2.819 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000296592292 226029195 /nfs/dbraw/zinc/02/91/95/226029195.db2.gz GPZQOTQSKSVFDS-YHWZYXNKSA-N 1 0 318.377 2.650 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1CCn2ccnc21 ZINC000296609695 226047736 /nfs/dbraw/zinc/04/77/36/226047736.db2.gz YKFAHFXJKTXMAG-GFCCVEGCSA-N 1 0 306.753 2.722 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000299606876 229255985 /nfs/dbraw/zinc/25/59/85/229255985.db2.gz ICMCNIANPAKLLT-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000299664099 229314009 /nfs/dbraw/zinc/31/40/09/229314009.db2.gz NTKVXWJXWGKUOT-UHFFFAOYSA-N 1 0 322.409 2.507 20 5 DFBDRO Cc1cccc(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302507683 230274636 /nfs/dbraw/zinc/27/46/36/230274636.db2.gz RGENSXNKABNGRD-OKILXGFUSA-N 1 0 307.394 2.814 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000066531606 425904760 /nfs/dbraw/zinc/90/47/60/425904760.db2.gz LSENMNMVHRHJHH-BETUJISGSA-N 1 0 317.389 2.747 20 5 DFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)c1ccco1 ZINC000067276835 425909597 /nfs/dbraw/zinc/90/95/97/425909597.db2.gz UVIAWIGOZGGKLM-NSHDSACASA-N 1 0 321.333 2.594 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 ZINC000068366463 425917474 /nfs/dbraw/zinc/91/74/74/425917474.db2.gz VKDJRUPGQXZPQR-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000030283787 267394971 /nfs/dbraw/zinc/39/49/71/267394971.db2.gz HGHCZLFPXSQDBM-GFCCVEGCSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476508 425811838 /nfs/dbraw/zinc/81/18/38/425811838.db2.gz FPUVFLYGZCSOJR-BXUZGUMPSA-N 1 0 305.378 2.704 20 5 DFBDRO CCCN(CCC[NH+](C)C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000190400269 267976288 /nfs/dbraw/zinc/97/62/88/267976288.db2.gz LNJFHOGOXUAAQO-UHFFFAOYSA-N 1 0 300.790 2.811 20 5 DFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Br)CC1 ZINC000037131151 425847288 /nfs/dbraw/zinc/84/72/88/425847288.db2.gz PDAVPDCSYBNGJS-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000047406575 425869587 /nfs/dbraw/zinc/86/95/87/425869587.db2.gz ORWJNTFMTOCCNX-NSHDSACASA-N 1 0 302.334 2.877 20 5 DFBDRO CCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000270772864 268214619 /nfs/dbraw/zinc/21/46/19/268214619.db2.gz MHLVLNRBOVSROJ-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO CCC[N@H+](CC)[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000270779100 268215792 /nfs/dbraw/zinc/21/57/92/268215792.db2.gz OGOGYHNOQRDGIM-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2OCCCO2)C2CC2)cc1 ZINC000270901074 268232101 /nfs/dbraw/zinc/23/21/01/268232101.db2.gz OPYQQPFDMMNJGD-UHFFFAOYSA-N 1 0 306.362 2.712 20 5 DFBDRO C[NH+](C)CC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000281187093 268270531 /nfs/dbraw/zinc/27/05/31/268270531.db2.gz ZIADXFGXTAOBPO-UHFFFAOYSA-N 1 0 317.345 2.555 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@H+](C)Cc1ccccc1 ZINC000288178412 268278138 /nfs/dbraw/zinc/27/81/38/268278138.db2.gz QVQKMQVVTBABOF-UHFFFAOYSA-N 1 0 317.393 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000296260214 268300640 /nfs/dbraw/zinc/30/06/40/268300640.db2.gz OCFUQCCOJJFJNM-NWANDNLSSA-N 1 0 306.337 2.781 20 5 DFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCCC1 ZINC000302705460 268325474 /nfs/dbraw/zinc/32/54/74/268325474.db2.gz AMKGOOAGWIVEFD-MDZDMXLPSA-N 1 0 317.389 2.600 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C(F)(F)F ZINC000319883774 268347254 /nfs/dbraw/zinc/34/72/54/268347254.db2.gz JJRMJNJHVSHVGV-ZJUUUORDSA-N 1 0 315.295 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000049963471 425881052 /nfs/dbraw/zinc/88/10/52/425881052.db2.gz LGGBWYJOQYSYCW-LLVKDONJSA-N 1 0 309.797 2.822 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963482 425881131 /nfs/dbraw/zinc/88/11/31/425881131.db2.gz YHEDMKZBEZDVKR-JTQLQIEISA-N 1 0 313.785 2.643 20 5 DFBDRO Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCC2)c1[N+](=O)[O-] ZINC000104573305 425964846 /nfs/dbraw/zinc/96/48/46/425964846.db2.gz FNPCWDBUMGEWQR-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1Br ZINC000070447972 425972935 /nfs/dbraw/zinc/97/29/35/425972935.db2.gz HRZHFAISXXMQHV-SNVBAGLBSA-N 1 0 302.172 2.753 20 5 DFBDRO C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)[C@@H]1CCOC1 ZINC000106879519 425978824 /nfs/dbraw/zinc/97/88/24/425978824.db2.gz IDMJZIOLRMRBIW-CQSZACIVSA-N 1 0 317.345 2.513 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000126620324 426028580 /nfs/dbraw/zinc/02/85/80/426028580.db2.gz FZCFPBAONQTASJ-UKRRQHHQSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC1CCC1 ZINC000111297498 426044471 /nfs/dbraw/zinc/04/44/71/426044471.db2.gz HHRWZIGGEMFFGN-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO C[N@@H+](Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)CC1CCC1 ZINC000111297420 426044980 /nfs/dbraw/zinc/04/49/80/426044980.db2.gz SZZYWZAAORKAMZ-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cccc1[N+](=O)[O-] ZINC000161927213 426046547 /nfs/dbraw/zinc/04/65/47/426046547.db2.gz KRXAVNTZGIDWOM-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)c1ccccc1[N+](=O)[O-])C(C)C ZINC000074330508 426046619 /nfs/dbraw/zinc/04/66/19/426046619.db2.gz LKVCYNYLMFOCHC-UHFFFAOYSA-N 1 0 307.394 2.834 20 5 DFBDRO C[C@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000127192873 426054799 /nfs/dbraw/zinc/05/47/99/426054799.db2.gz QCTRRTKDFZCCKT-VNHYZAJKSA-N 1 0 319.405 2.798 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000112309026 426072443 /nfs/dbraw/zinc/07/24/43/426072443.db2.gz KDRVXRNNTYYIKX-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO CN(CCOc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCC[N@@H+]1C ZINC000075861161 426088094 /nfs/dbraw/zinc/08/80/94/426088094.db2.gz JDDTVYQBRXNXKL-HNNXBMFYSA-N 1 0 321.421 2.780 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076056752 426095840 /nfs/dbraw/zinc/09/58/40/426095840.db2.gz ICLPCPJVHPLOEM-OAHLLOKOSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)(O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113340744 426112503 /nfs/dbraw/zinc/11/25/03/426112503.db2.gz XIUZWKINQXJQFV-UHFFFAOYSA-N 1 0 307.375 2.579 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCOCC3)cs2)c1 ZINC000113326639 426113107 /nfs/dbraw/zinc/11/31/07/426113107.db2.gz RUZXHDXJFHDNPK-UHFFFAOYSA-N 1 0 319.386 2.987 20 5 DFBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000076511946 426114757 /nfs/dbraw/zinc/11/47/57/426114757.db2.gz CWTZFQZJVVGZMO-UHFFFAOYSA-N 1 0 320.393 2.981 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[NH+](C)C)C1 ZINC000113515129 426116155 /nfs/dbraw/zinc/11/61/55/426116155.db2.gz JAUVYBPEMFNBAH-AWEZNQCLSA-N 1 0 321.421 2.766 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000128504262 426120170 /nfs/dbraw/zinc/12/01/70/426120170.db2.gz KGODEPJIJQBMBX-VXGBXAGGSA-N 1 0 323.418 2.529 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)cc1 ZINC000128551229 426122421 /nfs/dbraw/zinc/12/24/21/426122421.db2.gz YOIQWVGMRLTYSA-WBVHZDCISA-N 1 0 304.390 2.764 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000166459901 426127333 /nfs/dbraw/zinc/12/73/33/426127333.db2.gz JPDDLEACCBFEHN-IACUBPJLSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)CO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000166495464 426128253 /nfs/dbraw/zinc/12/82/53/426128253.db2.gz KATSUYNSRRQHSZ-DAXOMENPSA-N 1 0 308.378 2.830 20 5 DFBDRO CC[NH+](CC)CCNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000127733696 426083073 /nfs/dbraw/zinc/08/30/73/426083073.db2.gz LFIWEOLVFUHBTN-UHFFFAOYSA-N 1 0 308.382 2.675 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC3(C2)CCCCC3)c([N+](=O)[O-])c1 ZINC000129897057 426141361 /nfs/dbraw/zinc/14/13/61/426141361.db2.gz JDOHXZDHAAELFY-UHFFFAOYSA-N 1 0 317.389 2.850 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000114729575 426145254 /nfs/dbraw/zinc/14/52/54/426145254.db2.gz VTZUYQXAWPLSQT-CYBMUJFWSA-N 1 0 319.405 2.952 20 5 DFBDRO CS[C@H]1CCCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134552279 426187491 /nfs/dbraw/zinc/18/74/91/426187491.db2.gz TWMMCMIDYSLVQK-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079625521 426198696 /nfs/dbraw/zinc/19/86/96/426198696.db2.gz XTMNDSBFBJYGEU-GFCCVEGCSA-N 1 0 320.393 2.757 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000135617771 426225248 /nfs/dbraw/zinc/22/52/48/426225248.db2.gz PTVHVVDNTVLSNH-MRXNPFEDSA-N 1 0 314.389 2.880 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000136292167 426238175 /nfs/dbraw/zinc/23/81/75/426238175.db2.gz BRJALGDLEYMBRX-UHFFFAOYSA-N 1 0 302.378 2.664 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000173437347 426240905 /nfs/dbraw/zinc/24/09/05/426240905.db2.gz JXQOZGPLJSBWFJ-ZIAGYGMSSA-N 1 0 308.378 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000137107684 426250937 /nfs/dbraw/zinc/25/09/37/426250937.db2.gz RDLIBWCBGNIPGB-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000174010367 426251119 /nfs/dbraw/zinc/25/11/19/426251119.db2.gz BMIBANWEPMOYJI-STQMWFEESA-N 1 0 317.389 2.604 20 5 DFBDRO CCc1ccc(C(=O)N2CCCC[C@H]2C[NH+](C)C)cc1[N+](=O)[O-] ZINC000174187367 426252022 /nfs/dbraw/zinc/25/20/22/426252022.db2.gz CFSXNTFNRBJPPN-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO CNC(=O)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000175027920 426274742 /nfs/dbraw/zinc/27/47/42/426274742.db2.gz CTCBUBFCGYFPRJ-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO C[N@@H+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])C2(CCCCC2)C1 ZINC000174459319 426257416 /nfs/dbraw/zinc/25/74/16/426257416.db2.gz UYIHGQYQWFAVHI-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@H]3CO)o2)cc1 ZINC000119272399 426274797 /nfs/dbraw/zinc/27/47/97/426274797.db2.gz MSPGIAKCTNBBEO-AWEZNQCLSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1ccccc1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000174852177 426266720 /nfs/dbraw/zinc/26/67/20/426266720.db2.gz AZUPLEOSUOSINJ-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1csc([N+](=O)[O-])c1)C2 ZINC000174990092 426272199 /nfs/dbraw/zinc/27/21/99/426272199.db2.gz YAUYBQQTRUFVFG-QWHCGFSZSA-N 1 0 323.418 2.744 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341017 426211288 /nfs/dbraw/zinc/21/12/88/426211288.db2.gz DMECEFCOSUIJFQ-GFCCVEGCSA-N 1 0 321.377 2.871 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000089592709 426297990 /nfs/dbraw/zinc/29/79/90/426297990.db2.gz JRXFFOAXSVEVCR-KBPBESRZSA-N 1 0 319.405 2.955 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000089728666 426305276 /nfs/dbraw/zinc/30/52/76/426305276.db2.gz QUPOTAMKHVDKLH-OCCSQVGLSA-N 1 0 305.378 2.563 20 5 DFBDRO CCOC(=O)c1cc(NC2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000121268474 426330753 /nfs/dbraw/zinc/33/07/53/426330753.db2.gz FSZRZDSRRCWZKY-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090801605 426332596 /nfs/dbraw/zinc/33/25/96/426332596.db2.gz APJNATHAOXKTQA-ZFWWWQNUSA-N 1 0 312.373 2.919 20 5 DFBDRO CC(C)COC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000153757844 426404087 /nfs/dbraw/zinc/40/40/87/426404087.db2.gz KZHUCJVHTRKAJV-KRWDZBQOSA-N 1 0 322.405 2.765 20 5 DFBDRO CC[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000122117356 426359206 /nfs/dbraw/zinc/35/92/06/426359206.db2.gz SYWXYIZKMWCEBF-INIZCTEOSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000122142848 426361385 /nfs/dbraw/zinc/36/13/85/426361385.db2.gz WXBBZMMQWUQCLE-BBRMVZONSA-N 1 0 308.378 2.831 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153771116 426405920 /nfs/dbraw/zinc/40/59/20/426405920.db2.gz XOJJHWFEBRQBOT-LNSITVRQSA-N 1 0 308.378 2.948 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153200804 426374612 /nfs/dbraw/zinc/37/46/12/426374612.db2.gz WFORSQMSLHWYEO-ZFWWWQNUSA-N 1 0 321.421 2.522 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122467739 426377571 /nfs/dbraw/zinc/37/75/71/426377571.db2.gz AMDRRGBRZDAXLX-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228893 426377619 /nfs/dbraw/zinc/37/76/19/426377619.db2.gz XESQUOYCXARSTK-DZGCQCFKSA-N 1 0 321.421 2.522 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH+]3C[C@@H]4CCC[C@H]4C3)n2)c1 ZINC000153271747 426378110 /nfs/dbraw/zinc/37/81/10/426378110.db2.gz HIHIBKHZYJLPPD-STQMWFEESA-N 1 0 314.345 2.877 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000153813941 426408280 /nfs/dbraw/zinc/40/82/80/426408280.db2.gz UVAZISFKUBEPAE-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123298784 426425509 /nfs/dbraw/zinc/42/55/09/426425509.db2.gz DIDZDWUJYSNJDN-GXTWGEPZSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ccc(NC(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000177084032 426443046 /nfs/dbraw/zinc/44/30/46/426443046.db2.gz ZHFPIUVZHBFZRX-JSGCOSHPSA-N 1 0 318.377 2.604 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177111040 426445068 /nfs/dbraw/zinc/44/50/68/426445068.db2.gz DQZJJSRZTJATDI-ONGXEEELSA-N 1 0 323.780 2.603 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)c1ccc2c[nH+]cn2c1 ZINC000341150228 269047323 /nfs/dbraw/zinc/04/73/23/269047323.db2.gz CYGMOLZJRFAYRM-UHFFFAOYSA-N 1 0 300.249 2.634 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000341264712 269055487 /nfs/dbraw/zinc/05/54/87/269055487.db2.gz PXYYESMDYRZMDR-DOMZBBRYSA-N 1 0 308.378 2.898 20 5 DFBDRO COC1CCN(C(C)(C)C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000341296172 269063292 /nfs/dbraw/zinc/06/32/92/269063292.db2.gz STYYXPKQYYSKAV-UHFFFAOYSA-N 1 0 321.421 2.574 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000177245499 426459365 /nfs/dbraw/zinc/45/93/65/426459365.db2.gz AIDJVTRODJOKBM-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177440504 426479387 /nfs/dbraw/zinc/47/93/87/426479387.db2.gz RYGCGAXKIYYKRB-UHFFFAOYSA-N 1 0 317.389 2.732 20 5 DFBDRO CCC(=O)c1ccc(N2CCC[C@@H]2C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000280149417 426506276 /nfs/dbraw/zinc/50/62/76/426506276.db2.gz AZFNTOIXMNLAPJ-CYBMUJFWSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@@H](NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc([N+](=O)[O-])c1 ZINC000177741190 426513764 /nfs/dbraw/zinc/51/37/64/426513764.db2.gz NWLNZDFUJKPPAO-IKKMQULASA-N 1 0 317.389 2.693 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000177769618 426518253 /nfs/dbraw/zinc/51/82/53/426518253.db2.gz KHIXFHZSHSNOIQ-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000177814600 426525204 /nfs/dbraw/zinc/52/52/04/426525204.db2.gz RRVROFDXTXEVLT-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000186457435 426531345 /nfs/dbraw/zinc/53/13/45/426531345.db2.gz QEZFXSQZVFAURO-OLZOCXBDSA-N 1 0 321.377 2.785 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000177870014 426533280 /nfs/dbraw/zinc/53/32/80/426533280.db2.gz KAHTVVZBYJFVQW-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000186188875 426492805 /nfs/dbraw/zinc/49/28/05/426492805.db2.gz LMMJBBVHFDADPD-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177533786 426493087 /nfs/dbraw/zinc/49/30/87/426493087.db2.gz OGUJFHJDWOZXGB-CHWSQXEVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177538430 426493108 /nfs/dbraw/zinc/49/31/08/426493108.db2.gz GJOSBTPRYFWFLQ-CHWSQXEVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186319796 426503975 /nfs/dbraw/zinc/50/39/75/426503975.db2.gz VJNMBTJYRBUTGF-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)C1=CC[N@H+](C)CC1 ZINC000273057593 426583627 /nfs/dbraw/zinc/58/36/27/426583627.db2.gz YBJQMZIYZCMXPS-JTQLQIEISA-N 1 0 323.780 2.628 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000265167485 426590063 /nfs/dbraw/zinc/59/00/63/426590063.db2.gz CYYCPLDNGGHULA-CABCVRRESA-N 1 0 308.378 2.729 20 5 DFBDRO COc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273098918 426593590 /nfs/dbraw/zinc/59/35/90/426593590.db2.gz VJORMFCYZBKYEB-HZPDHXFCSA-N 1 0 306.362 2.651 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112713 426595252 /nfs/dbraw/zinc/59/52/52/426595252.db2.gz GNNRJFGUIVGIKP-MGPQQGTHSA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000273122223 426598080 /nfs/dbraw/zinc/59/80/80/426598080.db2.gz RQQUQZDADOBKRA-CYBMUJFWSA-N 1 0 310.737 2.973 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CO)c2c(F)cccc2F)cc1 ZINC000273152610 426603428 /nfs/dbraw/zinc/60/34/28/426603428.db2.gz XQUIMXWXYCTXJO-OAHLLOKOSA-N 1 0 322.311 2.739 20 5 DFBDRO CC(C)(C)[C@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000280590490 426608445 /nfs/dbraw/zinc/60/84/45/426608445.db2.gz UEOPTOBFTDRYJZ-ZDUSSCGKSA-N 1 0 307.394 2.515 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000227759098 426631380 /nfs/dbraw/zinc/63/13/80/426631380.db2.gz XBCRRAQRVHSUCE-JTQLQIEISA-N 1 0 314.183 2.863 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346174 426648851 /nfs/dbraw/zinc/64/88/51/426648851.db2.gz BPWUXTQTOXJFOY-WDEREUQCSA-N 1 0 324.356 2.728 20 5 DFBDRO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000289407027 426650344 /nfs/dbraw/zinc/65/03/44/426650344.db2.gz HIJIHWPSZNFZRJ-ZDUSSCGKSA-N 1 0 315.373 2.991 20 5 DFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1=CC[N@H+](C)CC1 ZINC000273374878 426654006 /nfs/dbraw/zinc/65/40/06/426654006.db2.gz HLWZWXZMFNABHO-SNVBAGLBSA-N 1 0 322.340 2.506 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H](O)C(F)(F)F ZINC000273420959 426661240 /nfs/dbraw/zinc/66/12/40/426661240.db2.gz QSRJHDLAIVWFAZ-VXGBXAGGSA-N 1 0 306.284 2.695 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000280838158 426667241 /nfs/dbraw/zinc/66/72/41/426667241.db2.gz YACBPAAMYAHSBH-OCCSQVGLSA-N 1 0 306.362 2.725 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273484197 426672434 /nfs/dbraw/zinc/67/24/34/426672434.db2.gz RCWMZPIMIUJXEU-NSHDSACASA-N 1 0 324.356 2.539 20 5 DFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178677590 426675619 /nfs/dbraw/zinc/67/56/19/426675619.db2.gz UAIHAJBPLANYGQ-SWLSCSKDSA-N 1 0 307.394 2.940 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178684895 426677311 /nfs/dbraw/zinc/67/73/11/426677311.db2.gz FPSFSMSJRFSTGY-NEPJUHHUSA-N 1 0 307.394 2.857 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686086 426677354 /nfs/dbraw/zinc/67/73/54/426677354.db2.gz RNHKCHODTLQGQP-TZMCWYRMSA-N 1 0 305.378 2.563 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1NC1CC[NH+](CC2CC2)CC1 ZINC000178833903 426704867 /nfs/dbraw/zinc/70/48/67/426704867.db2.gz JUGCSTBPQSGSCV-UHFFFAOYSA-N 1 0 310.785 2.930 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@H](C)[NH3+])CC2)c1 ZINC000178838380 426705798 /nfs/dbraw/zinc/70/57/98/426705798.db2.gz WMDKANXMKZBVJS-JTQLQIEISA-N 1 0 323.418 2.516 20 5 DFBDRO CCOc1cccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898299 426713189 /nfs/dbraw/zinc/71/31/89/426713189.db2.gz VIBPYFJVSKZYDR-ZIAGYGMSSA-N 1 0 319.405 2.914 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCC[N@H+](C)C1 ZINC000266048326 426720681 /nfs/dbraw/zinc/72/06/81/426720681.db2.gz CFCQKOUBPJLDNH-CYBMUJFWSA-N 1 0 317.345 2.507 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1[N+](=O)[O-] ZINC000188651848 426772943 /nfs/dbraw/zinc/77/29/43/426772943.db2.gz QAHKECFQYFWDQN-UHFFFAOYSA-N 1 0 317.389 2.638 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000266868113 426785861 /nfs/dbraw/zinc/78/58/61/426785861.db2.gz JHDGDKJADKTPIF-GJZGRUSLSA-N 1 0 317.389 2.514 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000281900959 426788111 /nfs/dbraw/zinc/78/81/11/426788111.db2.gz HURNYUMZAMUMQR-NSHDSACASA-N 1 0 317.345 2.542 20 5 DFBDRO C[C@H]([NH2+]CCc1cn2c(n1)SCC2)c1ccc([N+](=O)[O-])cc1 ZINC000274332555 426747269 /nfs/dbraw/zinc/74/72/69/426747269.db2.gz JCPDNKAPTLZCAX-NSHDSACASA-N 1 0 318.402 2.790 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000245690268 426762929 /nfs/dbraw/zinc/76/29/29/426762929.db2.gz LOFFZIVYFXCFCG-JQWIXIFHSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000188985169 426807751 /nfs/dbraw/zinc/80/77/51/426807751.db2.gz TWHTZIJHRWDBKL-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290646618 426812974 /nfs/dbraw/zinc/81/29/74/426812974.db2.gz OIJCBARDNRGIGV-NSHDSACASA-N 1 0 311.382 2.754 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[N@@H+](C2CC2)CC1 ZINC000179728707 426815299 /nfs/dbraw/zinc/81/52/99/426815299.db2.gz FWYJPAYJDQGNDO-ZZXKWVIFSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC[NH+](CCOC(C)C)CC1 ZINC000267058803 426818751 /nfs/dbraw/zinc/81/87/51/426818751.db2.gz OTZBZUKMEMMWJW-UHFFFAOYSA-N 1 0 322.409 2.600 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H]2c2ccc(F)cc2)n1 ZINC000267100184 426823866 /nfs/dbraw/zinc/82/38/66/426823866.db2.gz SZSRXDXDKUAAGL-AWEZNQCLSA-N 1 0 304.325 2.768 20 5 DFBDRO Cc1cc(NC(=O)NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000274777166 426836272 /nfs/dbraw/zinc/83/62/72/426836272.db2.gz DYFRWJQMABSYSR-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CO[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@H]1C ZINC000189312855 426839580 /nfs/dbraw/zinc/83/95/80/426839580.db2.gz ZLRDMAOZEWSQLX-CJNGLKHVSA-N 1 0 308.378 2.721 20 5 DFBDRO COc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000290800018 426840471 /nfs/dbraw/zinc/84/04/71/426840471.db2.gz POPBYVFNBLHRLU-VHSXEESVSA-N 1 0 309.341 2.780 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c(F)c1 ZINC000295150950 426841967 /nfs/dbraw/zinc/84/19/67/426841967.db2.gz AFXQZCXKJRREST-VCTAVGKDSA-N 1 0 324.327 2.920 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000267227214 426850970 /nfs/dbraw/zinc/85/09/70/426850970.db2.gz DYXISXRBXKDEAN-ZJUUUORDSA-N 1 0 309.395 2.589 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246676563 426853686 /nfs/dbraw/zinc/85/36/86/426853686.db2.gz LOIOEGOXVYSCFD-OLZOCXBDSA-N 1 0 305.378 2.901 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)[C@@H](C)C1 ZINC000246677340 426853705 /nfs/dbraw/zinc/85/37/05/426853705.db2.gz BXAYLOORJHANHY-ZFWWWQNUSA-N 1 0 322.409 2.539 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180403218 426855731 /nfs/dbraw/zinc/85/57/31/426855731.db2.gz GTTGMAVNRRCCCB-ZDUSSCGKSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000266912190 426793818 /nfs/dbraw/zinc/79/38/18/426793818.db2.gz DLLQSYNRFSIBQR-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(F)cc1 ZINC000266908927 426794297 /nfs/dbraw/zinc/79/42/97/426794297.db2.gz KQEOEPVDNRJSAO-UHFFFAOYSA-N 1 0 306.341 2.841 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccsc1 ZINC000282224402 426856927 /nfs/dbraw/zinc/85/69/27/426856927.db2.gz OLQLISLQFFMKTQ-AWEZNQCLSA-N 1 0 306.391 2.953 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000310828874 426921721 /nfs/dbraw/zinc/92/17/21/426921721.db2.gz YLXXDOKZIHZHEX-PSASIEDQSA-N 1 0 314.183 2.592 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000275797488 426922013 /nfs/dbraw/zinc/92/20/13/426922013.db2.gz SMKJQZBTOKZBJS-LBPRGKRZSA-N 1 0 318.377 2.675 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000310828876 426922917 /nfs/dbraw/zinc/92/29/17/426922917.db2.gz YLXXDOKZIHZHEX-WCBMZHEXSA-N 1 0 314.183 2.592 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000180430608 426859389 /nfs/dbraw/zinc/85/93/89/426859389.db2.gz ZFROHHYPXPCBLU-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)(C)O ZINC000295225257 426869571 /nfs/dbraw/zinc/86/95/71/426869571.db2.gz WEXOHMDDGKWJFC-LBPRGKRZSA-N 1 0 310.394 2.973 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246847298 426871997 /nfs/dbraw/zinc/87/19/97/426871997.db2.gz QZNZAIXECNWOFZ-QWHCGFSZSA-N 1 0 320.393 2.850 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000267506453 426882125 /nfs/dbraw/zinc/88/21/25/426882125.db2.gz AICBJZKBCSINHH-YPMHNXCESA-N 1 0 320.349 2.566 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000283311730 426993985 /nfs/dbraw/zinc/99/39/85/426993985.db2.gz ZBNPRICKRPXDNM-UWVGGRQHSA-N 1 0 314.769 2.926 20 5 DFBDRO CCOC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189805573 426956478 /nfs/dbraw/zinc/95/64/78/426956478.db2.gz XJMYHOIRFBXCCK-DOMZBBRYSA-N 1 0 323.393 2.573 20 5 DFBDRO CC[C@@H]([NH2+]CCn1c(C)csc1=O)c1cccc([N+](=O)[O-])c1 ZINC000181540824 426961062 /nfs/dbraw/zinc/96/10/62/426961062.db2.gz ICFHPOXGJLXGII-CQSZACIVSA-N 1 0 321.402 2.867 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000247962912 426968021 /nfs/dbraw/zinc/96/80/21/426968021.db2.gz GLNFXNCBNRTDIH-ILXRZTDVSA-N 1 0 321.421 2.663 20 5 DFBDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000291737178 426971123 /nfs/dbraw/zinc/97/11/23/426971123.db2.gz OKLPWSYTKIVEFI-JTQLQIEISA-N 1 0 319.386 2.547 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCCC1 ZINC000247984152 426972784 /nfs/dbraw/zinc/97/27/84/426972784.db2.gz KERUNMRQUQEJGG-INIZCTEOSA-N 1 0 322.405 2.989 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247006 426983736 /nfs/dbraw/zinc/98/37/36/426983736.db2.gz VBEGFULHGZDRPL-DZGCQCFKSA-N 1 0 307.369 2.650 20 5 DFBDRO C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248178077 426985520 /nfs/dbraw/zinc/98/55/20/426985520.db2.gz VYVRQRHPWBHUCT-RHSMWYFYSA-N 1 0 317.433 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2Cn2cncn2)cc1 ZINC000337708386 426934729 /nfs/dbraw/zinc/93/47/29/426934729.db2.gz AYEPECBRWQMQSJ-UHFFFAOYSA-N 1 0 323.356 2.524 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+](C[C@@H](O)CC(F)(F)F)C1CC1 ZINC000189731974 426936272 /nfs/dbraw/zinc/93/62/72/426936272.db2.gz CRGHUDSOJXJKIU-LBPRGKRZSA-N 1 0 318.295 2.873 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1OC ZINC000189734056 426936900 /nfs/dbraw/zinc/93/69/00/426936900.db2.gz GNBFJBOKNMDIPI-GFCCVEGCSA-N 1 0 324.377 2.659 20 5 DFBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474807 427004272 /nfs/dbraw/zinc/00/42/72/427004272.db2.gz XKCUPFJRUCXHOM-HUUCEWRRSA-N 1 0 322.405 2.989 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000291854661 427007961 /nfs/dbraw/zinc/00/79/61/427007961.db2.gz IDPOJZUVMNIHCA-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000248571057 427016013 /nfs/dbraw/zinc/01/60/13/427016013.db2.gz MBBXAHKKFVPURB-JSGCOSHPSA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510361 427037294 /nfs/dbraw/zinc/03/72/94/427037294.db2.gz UOSSGXWOSYELPS-FZMZJTMJSA-N 1 0 315.377 2.962 20 5 DFBDRO C[C@H](CCNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000182257080 427041709 /nfs/dbraw/zinc/04/17/09/427041709.db2.gz YBPUMWJVHAUZCA-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000182291798 427047714 /nfs/dbraw/zinc/04/77/14/427047714.db2.gz FVLCMPZONWHYNK-HOTGVXAUSA-N 1 0 308.378 2.911 20 5 DFBDRO CS[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042519 427053599 /nfs/dbraw/zinc/05/35/99/427053599.db2.gz AOGWSRZKICWSSA-NWDGAFQWSA-N 1 0 323.418 2.668 20 5 DFBDRO COc1ccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000296069606 427067273 /nfs/dbraw/zinc/06/72/73/427067273.db2.gz PTIOQGIYEKYJPP-ZDUSSCGKSA-N 1 0 319.405 2.520 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[N@H+](Cc3ccccc3)CC2)s1 ZINC000190309609 427070392 /nfs/dbraw/zinc/07/03/92/427070392.db2.gz HWVCMJKCQFFGEC-UHFFFAOYSA-N 1 0 318.402 2.764 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccco1 ZINC000337978357 427070983 /nfs/dbraw/zinc/07/09/83/427070983.db2.gz KCQZCKJBNOXAON-LLVKDONJSA-N 1 0 303.318 2.695 20 5 DFBDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000296090549 427072561 /nfs/dbraw/zinc/07/25/61/427072561.db2.gz HMBOYKAJMGFICZ-HRCADAONSA-N 1 0 322.405 2.810 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000283777868 427075030 /nfs/dbraw/zinc/07/50/30/427075030.db2.gz PWIXZAJNQRKTST-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249005117 427075345 /nfs/dbraw/zinc/07/53/45/427075345.db2.gz SXULAUKJIIZIOL-STQMWFEESA-N 1 0 320.393 2.850 20 5 DFBDRO CO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000296127208 427082638 /nfs/dbraw/zinc/08/26/38/427082638.db2.gz SCDKHXFLADTFAT-HNNXBMFYSA-N 1 0 308.378 2.721 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000276513205 427086641 /nfs/dbraw/zinc/08/66/41/427086641.db2.gz WSMJJNFARFPVPH-UHFFFAOYSA-N 1 0 311.407 2.604 20 5 DFBDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000283884252 427091542 /nfs/dbraw/zinc/09/15/42/427091542.db2.gz CFSAKIZKGKVYET-INIZCTEOSA-N 1 0 302.378 2.648 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276560028 427098733 /nfs/dbraw/zinc/09/87/33/427098733.db2.gz GFPXGMHMKRQNKD-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO COc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268735841 427105046 /nfs/dbraw/zinc/10/50/46/427105046.db2.gz DFKYDUUPFQDJES-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268735843 427106161 /nfs/dbraw/zinc/10/61/61/427106161.db2.gz DFKYDUUPFQDJES-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000296198791 427110262 /nfs/dbraw/zinc/11/02/62/427110262.db2.gz WABSGOKIRZPWFL-BIGNPOOSSA-N 1 0 323.349 2.652 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182708871 427129607 /nfs/dbraw/zinc/12/96/07/427129607.db2.gz DQXXAPMTGGXZKG-DZGCQCFKSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+](C[C@H](O)c2cccnc2)C2CC2)cc1 ZINC000296223301 427116550 /nfs/dbraw/zinc/11/65/50/427116550.db2.gz GYFCDGMJJNKRCH-KRWDZBQOSA-N 1 0 313.357 2.688 20 5 DFBDRO C[C@H]1CSCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000190466100 427116722 /nfs/dbraw/zinc/11/67/22/427116722.db2.gz WEBISFNFXAQCOC-GFCCVEGCSA-N 1 0 323.418 2.608 20 5 DFBDRO CC(=O)NC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182717749 427133335 /nfs/dbraw/zinc/13/33/35/427133335.db2.gz IMBJKQMYNVFJSO-GFCCVEGCSA-N 1 0 305.378 2.565 20 5 DFBDRO C[C@@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292227547 427137930 /nfs/dbraw/zinc/13/79/30/427137930.db2.gz CBSWGRIDSGPFGO-NSHDSACASA-N 1 0 323.418 2.603 20 5 DFBDRO C[C@H]1C[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000284133849 427138599 /nfs/dbraw/zinc/13/85/99/427138599.db2.gz PVEDWHHXYQLNNC-QWRGUYRKSA-N 1 0 313.348 2.788 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000182761306 427140851 /nfs/dbraw/zinc/14/08/51/427140851.db2.gz BLHGKDFWRCEJDX-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000277293830 427153182 /nfs/dbraw/zinc/15/31/82/427153182.db2.gz RKKLGWFMXGSUIR-LBPRGKRZSA-N 1 0 305.378 2.552 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC[NH+](C2CCC2)CC1 ZINC000296376941 427162026 /nfs/dbraw/zinc/16/20/26/427162026.db2.gz RSWBXFIVDNWGLA-UHFFFAOYSA-N 1 0 318.377 2.733 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000171648307 271106190 /nfs/dbraw/zinc/10/61/90/271106190.db2.gz QPDNWTUNTDXXHD-OAHLLOKOSA-N 1 0 312.373 2.924 20 5 DFBDRO C[C@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251923635 427166803 /nfs/dbraw/zinc/16/68/03/427166803.db2.gz YEHZJRSETHBLEG-WCBMZHEXSA-N 1 0 314.183 2.531 20 5 DFBDRO CCC[NH+]1CCN(Cc2cc([N+](=O)[O-])ccc2OCC)CC1 ZINC000175078226 271146245 /nfs/dbraw/zinc/14/62/45/271146245.db2.gz DITLBOJGOHLKFU-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189860127 271207165 /nfs/dbraw/zinc/20/71/65/271207165.db2.gz XRXMUPYBYPPGHD-NEPJUHHUSA-N 1 0 306.284 2.949 20 5 DFBDRO COc1ccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000272441279 271317585 /nfs/dbraw/zinc/31/75/85/271317585.db2.gz BDPWUQQXXUDRJQ-DZGCQCFKSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1cc(NCC(=O)NC(C)(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302186954 271363097 /nfs/dbraw/zinc/36/30/97/271363097.db2.gz PTWCEXSMVKWXRU-UHFFFAOYSA-N 1 0 316.361 2.778 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000183018683 427181993 /nfs/dbraw/zinc/18/19/93/427181993.db2.gz VVADIJWQXIDTMR-NWDGAFQWSA-N 1 0 323.393 2.956 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000292435238 427182307 /nfs/dbraw/zinc/18/23/07/427182307.db2.gz MFLBXWVSHLQJRZ-OLZOCXBDSA-N 1 0 307.394 2.798 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183050176 427189208 /nfs/dbraw/zinc/18/92/08/427189208.db2.gz QBGDBGFGLLTIDY-MNOVXSKESA-N 1 0 309.366 2.566 20 5 DFBDRO Cn1nccc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000284353424 427189809 /nfs/dbraw/zinc/18/98/09/427189809.db2.gz KFTKMZDNKZCLAN-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000296475628 427191043 /nfs/dbraw/zinc/19/10/43/427191043.db2.gz NZJVFCISTAHGSC-UHOFOFEASA-N 1 0 304.390 2.667 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292710020 427197279 /nfs/dbraw/zinc/19/72/79/427197279.db2.gz GSXYOHPYJZCGDQ-AWEZNQCLSA-N 1 0 310.785 2.565 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000293157470 427229661 /nfs/dbraw/zinc/22/96/61/427229661.db2.gz UOJUBTGAQJKUJU-KRWDZBQOSA-N 1 0 322.405 2.704 20 5 DFBDRO Cc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285445853 427233993 /nfs/dbraw/zinc/23/39/93/427233993.db2.gz ZGMGKQLICUJKIA-SJCJKPOMSA-N 1 0 315.373 2.870 20 5 DFBDRO Cc1ccc(CN[C@@H](c2nncn2C)C(C)C)cc1[N+](=O)[O-] ZINC000285488663 427245452 /nfs/dbraw/zinc/24/54/52/427245452.db2.gz LWMDCCCBMMCPJX-CQSZACIVSA-N 1 0 303.366 2.519 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000285480801 427245653 /nfs/dbraw/zinc/24/56/53/427245653.db2.gz LNSMRHKTSYXSLP-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330671058 427286611 /nfs/dbraw/zinc/28/66/11/427286611.db2.gz MJYOJMIOWKQFMH-JSGCOSHPSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000337480370 271505407 /nfs/dbraw/zinc/50/54/07/271505407.db2.gz VKZFZXWOOCWWJR-AAEUAGOBSA-N 1 0 319.361 2.671 20 5 DFBDRO CC(C)CCNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338353045 427271098 /nfs/dbraw/zinc/27/10/98/427271098.db2.gz XEYPAQXXSNZQEI-CQSZACIVSA-N 1 0 321.421 2.620 20 5 DFBDRO CCC[C@@]1([NH2+]CCOc2ccc(OC)cc2[N+](=O)[O-])CCOC1 ZINC000285590139 427281060 /nfs/dbraw/zinc/28/10/60/427281060.db2.gz OXVGRHQVKIDHJD-MRXNPFEDSA-N 1 0 324.377 2.531 20 5 DFBDRO Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270046817 427318341 /nfs/dbraw/zinc/31/83/41/427318341.db2.gz TZGUBTKBAXUGFY-DZGCQCFKSA-N 1 0 314.389 2.829 20 5 DFBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191351080 427325168 /nfs/dbraw/zinc/32/51/68/427325168.db2.gz LPYHDXHFNNFTFD-ZBFHGGJFSA-N 1 0 321.421 2.951 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000270367514 427334761 /nfs/dbraw/zinc/33/47/61/427334761.db2.gz AWKKMZCDZGNTGY-HOCLYGCPSA-N 1 0 306.362 2.806 20 5 DFBDRO COc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c([N+](=O)[O-])cc1F ZINC000261661086 427337658 /nfs/dbraw/zinc/33/76/58/427337658.db2.gz GGERFTHGPKGJNZ-ZDUSSCGKSA-N 1 0 323.368 2.711 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000183792048 427342986 /nfs/dbraw/zinc/34/29/86/427342986.db2.gz VPCUXIJSZQTWDO-LLVKDONJSA-N 1 0 324.377 2.813 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000261902585 427343683 /nfs/dbraw/zinc/34/36/83/427343683.db2.gz PBAAVYNQFSLLPE-KWCYVHTRSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331121300 427350504 /nfs/dbraw/zinc/35/05/04/427350504.db2.gz PPGIGWOWMXTGNL-HZSPNIEDSA-N 1 0 319.405 2.953 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1F ZINC000277707343 427291155 /nfs/dbraw/zinc/29/11/55/427291155.db2.gz OQIHXGDVCPWBLZ-RYUDHWBXSA-N 1 0 323.368 2.645 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnc2ccccn12 ZINC000338390978 427297252 /nfs/dbraw/zinc/29/72/52/427297252.db2.gz YVDCGEQQUMJANP-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293615427 427380795 /nfs/dbraw/zinc/38/07/95/427380795.db2.gz GVNDCNFTWSFYQY-ZBEGNZNMSA-N 1 0 307.394 2.769 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H](C)C1 ZINC000297280600 427383628 /nfs/dbraw/zinc/38/36/28/427383628.db2.gz XHIGUKQWBQHDMJ-NHYWBVRUSA-N 1 0 317.393 2.638 20 5 DFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191639571 427394629 /nfs/dbraw/zinc/39/46/29/427394629.db2.gz SQYWKXBEBYZAEJ-KRWDZBQOSA-N 1 0 322.405 2.847 20 5 DFBDRO CCOc1cccc(N(C)C[C@H]2CCC[N@@H+]2CC)c1[N+](=O)[O-] ZINC000184129266 427397134 /nfs/dbraw/zinc/39/71/34/427397134.db2.gz BWXNYKXEFQJIBD-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO C[C@H]1C[C@@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000286025417 427405146 /nfs/dbraw/zinc/40/51/46/427405146.db2.gz ARCGKADGBKZMFB-UWVGGRQHSA-N 1 0 321.406 2.518 20 5 DFBDRO Nc1ccc(N2CCC([NH+]3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000286245906 427466714 /nfs/dbraw/zinc/46/67/14/427466714.db2.gz ILOOHXLUDBVBRX-UHFFFAOYSA-N 1 0 304.394 2.632 20 5 DFBDRO CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278863345 427481581 /nfs/dbraw/zinc/48/15/81/427481581.db2.gz WNKOZUQRSBCYNO-INIZCTEOSA-N 1 0 319.405 2.500 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000338641353 427421548 /nfs/dbraw/zinc/42/15/48/427421548.db2.gz HTBGTFFVYQRPKJ-STQMWFEESA-N 1 0 323.393 2.515 20 5 DFBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)[S@@]1=O ZINC000286093439 427424026 /nfs/dbraw/zinc/42/40/26/427424026.db2.gz SXIHUGGOOPFPFT-WPGAZNDASA-N 1 0 310.419 2.887 20 5 DFBDRO Cc1sc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331523937 427431130 /nfs/dbraw/zinc/43/11/30/427431130.db2.gz DDMDHAVSYMPOGV-NEPJUHHUSA-N 1 0 323.418 2.569 20 5 DFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000271183206 427436596 /nfs/dbraw/zinc/43/65/96/427436596.db2.gz IHEVJANRHDSESA-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000271200057 427446747 /nfs/dbraw/zinc/44/67/47/427446747.db2.gz ILZTUUGAUHOHSV-MRXNPFEDSA-N 1 0 318.348 2.736 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC(=O)NC2(C)C)cccc1[N+](=O)[O-] ZINC000338794442 427492086 /nfs/dbraw/zinc/49/20/86/427492086.db2.gz POXCSCIOANNZCG-BXUZGUMPSA-N 1 0 305.378 2.611 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)[N@H+]1C ZINC000338797430 427494073 /nfs/dbraw/zinc/49/40/73/427494073.db2.gz YWFISWCXQKTIMY-AOOOYVTPSA-N 1 0 315.320 2.725 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192176074 427494742 /nfs/dbraw/zinc/49/47/42/427494742.db2.gz IRJBYYGIPUEROD-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000332065517 427501945 /nfs/dbraw/zinc/50/19/45/427501945.db2.gz SKWWVWGPMKHLBF-ZDUSSCGKSA-N 1 0 317.389 2.748 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000286364064 427505099 /nfs/dbraw/zinc/50/50/99/427505099.db2.gz GAIGWLOAPXFIKH-VXGBXAGGSA-N 1 0 318.295 2.588 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000184632464 427509017 /nfs/dbraw/zinc/50/90/17/427509017.db2.gz XGZYJRIMENKUKM-LBPRGKRZSA-N 1 0 317.389 2.652 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184670346 427513881 /nfs/dbraw/zinc/51/38/81/427513881.db2.gz ZKAUXPDDEWVPRW-LBPRGKRZSA-N 1 0 305.378 2.726 20 5 DFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286403494 427517062 /nfs/dbraw/zinc/51/70/62/427517062.db2.gz PUJPZBDPDUBCLP-NEPJUHHUSA-N 1 0 323.368 2.806 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000286419148 427521802 /nfs/dbraw/zinc/52/18/02/427521802.db2.gz PBWIHBVOTABICX-SNVBAGLBSA-N 1 0 321.406 2.743 20 5 DFBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000287173604 427555283 /nfs/dbraw/zinc/55/52/83/427555283.db2.gz OGPKETNALIMULF-CZUORRHYSA-N 1 0 317.389 2.602 20 5 DFBDRO CCC(=O)c1ccc(N2CCN(CC)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286418837 427523490 /nfs/dbraw/zinc/52/34/90/427523490.db2.gz QVSZHTUUCFQSIT-GFCCVEGCSA-N 1 0 305.378 2.718 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCCOC3)CC2)cc1 ZINC000332148112 427525044 /nfs/dbraw/zinc/52/50/44/427525044.db2.gz UPGGHHJSPWITKU-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000341542393 271842235 /nfs/dbraw/zinc/84/22/35/271842235.db2.gz JQXHAGYXAKFVCY-NEPJUHHUSA-N 1 0 323.368 2.727 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)C(C)C ZINC000184788695 427539808 /nfs/dbraw/zinc/53/98/08/427539808.db2.gz SAWZUKVDKDGTLE-OAHLLOKOSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)[N@H+](C)Cc1ccccc1 ZINC000192453069 427542774 /nfs/dbraw/zinc/54/27/74/427542774.db2.gz GMUDSXGQHBDNIQ-NSHDSACASA-N 1 0 306.391 2.984 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000192478763 427547867 /nfs/dbraw/zinc/54/78/67/427547867.db2.gz WTAXLFYEYBZDPL-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000294108278 427549813 /nfs/dbraw/zinc/54/98/13/427549813.db2.gz LCYHBXJMCXKXGE-OAHLLOKOSA-N 1 0 323.418 2.523 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000192496957 427550923 /nfs/dbraw/zinc/55/09/23/427550923.db2.gz PIDOOHNEWWNMIN-RYUDHWBXSA-N 1 0 309.414 2.652 20 5 DFBDRO CCCn1ncnc1CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000279074307 427550989 /nfs/dbraw/zinc/55/09/89/427550989.db2.gz KQOXEHXPTJVHES-LBPRGKRZSA-N 1 0 303.366 2.756 20 5 DFBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(C)nn2CC)CC1 ZINC000192505745 427552929 /nfs/dbraw/zinc/55/29/29/427552929.db2.gz OPLJYFWMEJUWMA-UHFFFAOYSA-N 1 0 309.414 2.796 20 5 DFBDRO Nc1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000287455091 427614873 /nfs/dbraw/zinc/61/48/73/427614873.db2.gz VWMSVFWGWUYARU-CQSZACIVSA-N 1 0 304.394 2.632 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000263748160 427558663 /nfs/dbraw/zinc/55/86/63/427558663.db2.gz GBPODEXPSGICJV-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279120946 427564952 /nfs/dbraw/zinc/56/49/52/427564952.db2.gz QECZIFAYMFESHL-HNNXBMFYSA-N 1 0 300.362 2.841 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341805680 271903773 /nfs/dbraw/zinc/90/37/73/271903773.db2.gz HTVUTIFJKWMIHM-CYBMUJFWSA-N 1 0 322.409 2.687 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000263816677 427580490 /nfs/dbraw/zinc/58/04/90/427580490.db2.gz WFXAHKUJNKUKHO-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185262958 427623318 /nfs/dbraw/zinc/62/33/18/427623318.db2.gz SRTLDFIWHFTCMR-OAQYLSRUSA-N 1 0 310.419 2.718 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[C@H](C)[NH+]1CCCCC1 ZINC000192764221 427604972 /nfs/dbraw/zinc/60/49/72/427604972.db2.gz FPXBIWSAXSDFDQ-LBPRGKRZSA-N 1 0 309.414 2.796 20 5 DFBDRO C[C@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000185166614 427606074 /nfs/dbraw/zinc/60/60/74/427606074.db2.gz YYVRJEXBSJYZQJ-NSHDSACASA-N 1 0 309.341 2.794 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000185166594 427606205 /nfs/dbraw/zinc/60/62/05/427606205.db2.gz YYVRJEXBSJYZQJ-LLVKDONJSA-N 1 0 309.341 2.794 20 5 DFBDRO CS[C@@H](CO)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192886095 427630502 /nfs/dbraw/zinc/63/05/02/427630502.db2.gz HTXJLEOGADBMHO-VQISRLSMSA-N 1 0 310.419 2.674 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCO[C@H]1CCOC1)CCC2 ZINC000192952002 427641465 /nfs/dbraw/zinc/64/14/65/427641465.db2.gz VMRIKBIGFFYWPF-DOTOQJQBSA-N 1 0 320.389 2.757 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@](C)(OC)C2)ccc1[N+](=O)[O-] ZINC000279332389 427643830 /nfs/dbraw/zinc/64/38/30/427643830.db2.gz OZGOGMBJQIWXFI-INIZCTEOSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1c(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cnn1C ZINC000193053253 427658064 /nfs/dbraw/zinc/65/80/64/427658064.db2.gz GKFJZTCBWVAOOS-INIZCTEOSA-N 1 0 300.362 2.804 20 5 DFBDRO COC[C@](C)([NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342405821 272005852 /nfs/dbraw/zinc/00/58/52/272005852.db2.gz JLMDNHHRFLNNMH-LLVKDONJSA-N 1 0 308.165 2.677 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@H]1C ZINC000342483226 272018135 /nfs/dbraw/zinc/01/81/35/272018135.db2.gz YSAAKZWBDWJURE-NEPJUHHUSA-N 1 0 305.378 2.716 20 5 DFBDRO C[C@H]1CN(c2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+](C2CC2)C1 ZINC000295006542 427670246 /nfs/dbraw/zinc/67/02/46/427670246.db2.gz SKBAVIJOVXSSHE-SNVBAGLBSA-N 1 0 311.332 2.794 20 5 DFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000343080014 272083460 /nfs/dbraw/zinc/08/34/60/272083460.db2.gz UEDJAYXYNUTRDU-UONOGXRCSA-N 1 0 319.405 2.516 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000295035613 427667953 /nfs/dbraw/zinc/66/79/53/427667953.db2.gz WMNZVJYJSXDVEV-NSHDSACASA-N 1 0 323.368 2.663 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000343402575 272138139 /nfs/dbraw/zinc/13/81/39/272138139.db2.gz MCRPELHIQYLWQX-CQSZACIVSA-N 1 0 308.378 2.768 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCN(Cc3ccco3)CC2)cc1 ZINC000298688653 427679335 /nfs/dbraw/zinc/67/93/35/427679335.db2.gz CGOWEIQXCRKBOW-UHFFFAOYSA-N 1 0 315.373 2.548 20 5 DFBDRO CC[C@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343904285 272234354 /nfs/dbraw/zinc/23/43/54/272234354.db2.gz HNXPVIIRWLXISU-LBPRGKRZSA-N 1 0 319.361 2.767 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916972 272237277 /nfs/dbraw/zinc/23/72/77/272237277.db2.gz GXZZULDQEWFXAQ-YOEHRIQHSA-N 1 0 303.406 2.696 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000343944048 272241420 /nfs/dbraw/zinc/24/14/20/272241420.db2.gz LNPCHFAVQRZSLF-ZDUSSCGKSA-N 1 0 319.405 2.942 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000344243298 272295618 /nfs/dbraw/zinc/29/56/18/272295618.db2.gz BATSGQLSFUUCHN-DLBZAZTESA-N 1 0 313.357 2.952 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000344243877 272295866 /nfs/dbraw/zinc/29/58/66/272295866.db2.gz PKZQSYMLISWZGS-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344327113 272313264 /nfs/dbraw/zinc/31/32/64/272313264.db2.gz JEXJYXXBALFIRY-GFCCVEGCSA-N 1 0 310.375 2.987 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000344693674 272356533 /nfs/dbraw/zinc/35/65/33/272356533.db2.gz BTIRFTRPXQMYQV-HUUCEWRRSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000344737855 272364069 /nfs/dbraw/zinc/36/40/69/272364069.db2.gz CMEYOHCFYSUWGZ-YCPHGPKFSA-N 1 0 305.422 2.988 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000344820022 272374689 /nfs/dbraw/zinc/37/46/89/272374689.db2.gz WJLGMZFBULLMJZ-UZGISAJGSA-N 1 0 312.373 2.799 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000344820021 272374722 /nfs/dbraw/zinc/37/47/22/272374722.db2.gz WJLGMZFBULLMJZ-GLNPCMGASA-N 1 0 312.373 2.799 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCSCCCO ZINC000344854631 272377793 /nfs/dbraw/zinc/37/77/93/272377793.db2.gz KEMGJHFCXMYQBO-JLHYYAGUSA-N 1 0 310.419 2.703 20 5 DFBDRO CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000295095524 427688924 /nfs/dbraw/zinc/68/89/24/427688924.db2.gz JUEKVPZJSDAQCP-DOMZBBRYSA-N 1 0 323.393 2.717 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000295112032 427697622 /nfs/dbraw/zinc/69/76/22/427697622.db2.gz WEYLVUBJPDPGRH-NVXWUHKLSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)cc1 ZINC000295112035 427697972 /nfs/dbraw/zinc/69/79/72/427697972.db2.gz WEYLVUBJPDPGRH-WBVHZDCISA-N 1 0 313.357 3.000 20 5 DFBDRO Cc1ccc(NC(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000339335015 427755771 /nfs/dbraw/zinc/75/57/71/427755771.db2.gz SVLRXOSQYIUNPN-UHFFFAOYSA-N 1 0 306.366 2.511 20 5 DFBDRO COc1cc(NCc2ccnc(N(C)C)c2)ccc1[N+](=O)[O-] ZINC000301351809 427790893 /nfs/dbraw/zinc/79/08/93/427790893.db2.gz KIRAFXNXSPBUDI-UHFFFAOYSA-N 1 0 302.334 2.677 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000339386042 427765479 /nfs/dbraw/zinc/76/54/79/427765479.db2.gz UFOCZQBKDUZQNN-LLVKDONJSA-N 1 0 319.365 2.660 20 5 DFBDRO Cc1cc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)ccc1[N+](=O)[O-] ZINC000301065123 427772812 /nfs/dbraw/zinc/77/28/12/427772812.db2.gz DLYXDPWQEKFTDP-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000336915331 427774881 /nfs/dbraw/zinc/77/48/81/427774881.db2.gz BDHXFNCTKBAVPH-GFCCVEGCSA-N 1 0 310.423 3.260 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCC3(CCCCC3)CC2)s1 ZINC000336937069 427777692 /nfs/dbraw/zinc/77/76/92/427777692.db2.gz VEYQDQCAQUXZMP-UHFFFAOYSA-N 1 0 324.450 3.510 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000301230785 427783282 /nfs/dbraw/zinc/78/32/82/427783282.db2.gz AQQBOMSUIIKRED-LLVKDONJSA-N 1 0 323.422 2.980 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000334010689 427725995 /nfs/dbraw/zinc/72/59/95/427725995.db2.gz ONJUKAJCEHXSGD-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@]1(Cc2ccccc2)CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000186043926 427742773 /nfs/dbraw/zinc/74/27/73/427742773.db2.gz AQKOIEGETLSTPY-QGZVFWFLSA-N 1 0 314.389 2.889 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000299093752 427749630 /nfs/dbraw/zinc/74/96/30/427749630.db2.gz NRIOLNFYPSEYCG-NSHDSACASA-N 1 0 311.407 2.508 20 5 DFBDRO Cc1nn(C)c(NC2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000301486354 427799424 /nfs/dbraw/zinc/79/94/24/427799424.db2.gz XLZLUTNCQIUTIA-UHFFFAOYSA-N 1 0 321.425 2.846 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([N@H+](C)CCO)CCCCC2)c1 ZINC000301542090 427805041 /nfs/dbraw/zinc/80/50/41/427805041.db2.gz CHWFAJFBPKKGNZ-UHFFFAOYSA-N 1 0 321.421 2.942 20 5 DFBDRO CC(C)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339738058 427820100 /nfs/dbraw/zinc/82/01/00/427820100.db2.gz OMGNYFNVTWNDDJ-INIZCTEOSA-N 1 0 322.405 2.750 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H]1c1ccc(F)cc1 ZINC000301822570 427827434 /nfs/dbraw/zinc/82/74/34/427827434.db2.gz HGJBXORQGGXVAW-GDBMZVCRSA-N 1 0 316.336 2.986 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337274896 427829467 /nfs/dbraw/zinc/82/94/67/427829467.db2.gz DJKAZZJZJJXENB-JQWIXIFHSA-N 1 0 316.304 2.853 20 5 DFBDRO COc1cc(NCC[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000301871273 427831723 /nfs/dbraw/zinc/83/17/23/427831723.db2.gz DAMOURQDZYFUJD-LBPRGKRZSA-N 1 0 323.393 2.756 20 5 DFBDRO C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000339811806 427833142 /nfs/dbraw/zinc/83/31/42/427833142.db2.gz FCEWHZQHCXDLBG-LLVKDONJSA-N 1 0 310.313 2.734 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359413904 427841889 /nfs/dbraw/zinc/84/18/89/427841889.db2.gz HUDXLAJGJVLSHW-BBRMVZONSA-N 1 0 322.405 2.731 20 5 DFBDRO COc1cc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])cc1OC ZINC000301946166 427843528 /nfs/dbraw/zinc/84/35/28/427843528.db2.gz XIYQBMOOULWIIS-UHFFFAOYSA-N 1 0 323.393 2.756 20 5 DFBDRO Cc1cc(N2CC[C@@H](C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302100182 427849180 /nfs/dbraw/zinc/84/91/80/427849180.db2.gz UUXORTHKOGDOSB-QLJPJBMISA-N 1 0 301.346 2.659 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302404194 427852719 /nfs/dbraw/zinc/85/27/19/427852719.db2.gz FMOPNAXSSYGKEF-GFCCVEGCSA-N 1 0 304.394 2.849 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000355730859 427865477 /nfs/dbraw/zinc/86/54/77/427865477.db2.gz HKFLOLANDTVBLR-CBBWQLFWSA-N 1 0 322.405 2.701 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302870270 427882468 /nfs/dbraw/zinc/88/24/68/427882468.db2.gz BKPUELGPDCZCRX-SMDDNHRTSA-N 1 0 304.394 2.703 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000337478235 427924368 /nfs/dbraw/zinc/92/43/68/427924368.db2.gz UDXZLFMDNPJXJL-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1nccn1-c1ccccc1CNc1ncc([N+](=O)[O-])cc1C ZINC000350736798 427969259 /nfs/dbraw/zinc/96/92/59/427969259.db2.gz MAFKNYVEKFZJTM-UHFFFAOYSA-N 1 0 323.356 3.404 20 5 DFBDRO CN(C)CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000341036231 427974797 /nfs/dbraw/zinc/97/47/97/427974797.db2.gz KGKSILYRDOLSNC-UHFFFAOYSA-N 1 0 314.817 2.544 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413217738 427993615 /nfs/dbraw/zinc/99/36/15/427993615.db2.gz DHSFJQKSHLXSQF-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355896196 427939999 /nfs/dbraw/zinc/93/99/99/427939999.db2.gz MCPMXBAIJDYFNC-LBPRGKRZSA-N 1 0 307.350 2.503 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C[C@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000304654314 427939987 /nfs/dbraw/zinc/93/99/87/427939987.db2.gz UDFOPLVPSNOESO-OAHLLOKOSA-N 1 0 310.419 2.676 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000345905204 427945990 /nfs/dbraw/zinc/94/59/90/427945990.db2.gz LTMOSTWKRADPKA-STQMWFEESA-N 1 0 319.405 2.712 20 5 DFBDRO Cc1c(-c2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145347 428020912 /nfs/dbraw/zinc/02/09/12/428020912.db2.gz JVVUVVRTXXRMCA-JOYOIKCWSA-N 1 0 302.334 2.618 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341380376 428054681 /nfs/dbraw/zinc/05/46/81/428054681.db2.gz PEAINGPYISQNIH-LBPRGKRZSA-N 1 0 311.357 2.503 20 5 DFBDRO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413475992 428056508 /nfs/dbraw/zinc/05/65/08/428056508.db2.gz DHIBOVIJIGXLQD-XQQFMLRXSA-N 1 0 317.389 2.745 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000369768893 428057604 /nfs/dbraw/zinc/05/76/04/428057604.db2.gz YKBWZAGHDIUZLH-CVEARBPZSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000369768896 428057914 /nfs/dbraw/zinc/05/79/14/428057914.db2.gz YKBWZAGHDIUZLH-JKSUJKDBSA-N 1 0 319.405 2.662 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000369585623 428006086 /nfs/dbraw/zinc/00/60/86/428006086.db2.gz UAEOUNGXGLUPKZ-BZUAXINKSA-N 1 0 320.389 2.719 20 5 DFBDRO O=[N+]([O-])c1ccc(CSCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000376866922 428016077 /nfs/dbraw/zinc/01/60/77/428016077.db2.gz OMQOQCQXVKUTDI-GASCZTMLSA-N 1 0 308.403 2.691 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346192582 428061654 /nfs/dbraw/zinc/06/16/54/428061654.db2.gz PJSWYBZQGMLXES-HUUCEWRRSA-N 1 0 321.421 2.778 20 5 DFBDRO C[C@@H]1CN(c2ncccc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413531103 428073134 /nfs/dbraw/zinc/07/31/34/428073134.db2.gz LAMNACLZUPKGOZ-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413533366 428073606 /nfs/dbraw/zinc/07/36/06/428073606.db2.gz PXHONIZXUWGRDG-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341467314 428077771 /nfs/dbraw/zinc/07/77/71/428077771.db2.gz JIPHHNIGEZYFKX-CQSZACIVSA-N 1 0 309.797 2.917 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000377179784 428079108 /nfs/dbraw/zinc/07/91/08/428079108.db2.gz PMORSCUBOOKOJN-DOMZBBRYSA-N 1 0 317.389 2.860 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1CCCc2cccnc21 ZINC000377257055 428095825 /nfs/dbraw/zinc/09/58/25/428095825.db2.gz NJQFVYZMKQMDQR-CQSZACIVSA-N 1 0 315.377 2.586 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCn2c(C)c(C)nc2C1 ZINC000369957871 428098125 /nfs/dbraw/zinc/09/81/25/428098125.db2.gz JFYCMULENDFBGB-UHFFFAOYSA-N 1 0 316.361 2.575 20 5 DFBDRO C[N@H+](CCNc1nc2ccccc2cc1[N+](=O)[O-])C1CCCC1 ZINC000352356260 428133036 /nfs/dbraw/zinc/13/30/36/428133036.db2.gz LONCFPOSQNLXNC-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358492 428135449 /nfs/dbraw/zinc/13/54/49/428135449.db2.gz YFNNXLCFOFBZGA-ZDUSSCGKSA-N 1 0 314.389 3.287 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535055 428140214 /nfs/dbraw/zinc/14/02/14/428140214.db2.gz LWYWHGRFMJJCIN-DZGCQCFKSA-N 1 0 321.421 2.908 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540527 428142822 /nfs/dbraw/zinc/14/28/22/428142822.db2.gz MFVWGASVULMEBV-OAHLLOKOSA-N 1 0 321.421 2.767 20 5 DFBDRO COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)ccc1[N+](=O)[O-] ZINC000352539450 428143124 /nfs/dbraw/zinc/14/31/24/428143124.db2.gz ATAZUEDGJWNRLJ-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000352563394 428151470 /nfs/dbraw/zinc/15/14/70/428151470.db2.gz QUEAPHABVBADIO-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000346461516 428181131 /nfs/dbraw/zinc/18/11/31/428181131.db2.gz SILCGZLOCWFUNG-QWHCGFSZSA-N 1 0 320.393 2.850 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000360148890 428181332 /nfs/dbraw/zinc/18/13/32/428181332.db2.gz OORWJTZBKIJVOO-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO Cn1cnc2cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000341802355 428208556 /nfs/dbraw/zinc/20/85/56/428208556.db2.gz ZSZSNXYMAQGRED-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)ccc1Cl ZINC000377772081 428222301 /nfs/dbraw/zinc/22/23/01/428222301.db2.gz FHPZTPWMHYOONF-JTQLQIEISA-N 1 0 306.753 2.618 20 5 DFBDRO COC1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000414180060 428227811 /nfs/dbraw/zinc/22/78/11/428227811.db2.gz LDCHVNZQPYMLKS-PFSRBDOWSA-N 1 0 322.409 2.822 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000346501437 428198075 /nfs/dbraw/zinc/19/80/75/428198075.db2.gz ZLFQJWVYPGQLRJ-NWDGAFQWSA-N 1 0 320.393 2.850 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cc2n(n1)CCC2 ZINC000414086272 428203870 /nfs/dbraw/zinc/20/38/70/428203870.db2.gz ZHRJDRFOJSVDES-LBPRGKRZSA-N 1 0 300.362 2.631 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000414091800 428204271 /nfs/dbraw/zinc/20/42/71/428204271.db2.gz FCEUHUHZQDDSED-NEPJUHHUSA-N 1 0 305.378 2.948 20 5 DFBDRO CC(C)NC(=O)[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414352928 428267236 /nfs/dbraw/zinc/26/72/36/428267236.db2.gz XQLMNBODALDTNN-IAQYHMDHSA-N 1 0 319.405 2.820 20 5 DFBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1C ZINC000414354939 428267708 /nfs/dbraw/zinc/26/77/08/428267708.db2.gz AYHZNVMOXYBEQB-UHFFFAOYSA-N 1 0 302.378 2.749 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950026 428268295 /nfs/dbraw/zinc/26/82/95/428268295.db2.gz UQPKRWVOYGIJCL-DGCLKSJQSA-N 1 0 306.391 2.731 20 5 DFBDRO C[C@@H]1C[C@H](c2ccsc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954040 428268578 /nfs/dbraw/zinc/26/85/78/428268578.db2.gz MZYXAKYOKKMUCP-YPMHNXCESA-N 1 0 306.391 2.731 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000352882471 428292329 /nfs/dbraw/zinc/29/23/29/428292329.db2.gz JHPJYOWVDAVAHK-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO CC(C)([NH3+])CNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000346633033 428249578 /nfs/dbraw/zinc/24/95/78/428249578.db2.gz KGBDQBFLEOGGKF-UHFFFAOYSA-N 1 0 313.357 2.975 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342113369 428305368 /nfs/dbraw/zinc/30/53/68/428305368.db2.gz GTYLQEPIKJXWAK-RHSMWYFYSA-N 1 0 318.373 2.760 20 5 DFBDRO CC1CCC([NH+]2CCN(c3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000360352448 273598289 /nfs/dbraw/zinc/59/82/89/273598289.db2.gz JZNIILOHRISDLY-UHFFFAOYSA-N 1 0 304.394 2.691 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)c([N+](=O)[O-])cc1OC ZINC000414523636 428327119 /nfs/dbraw/zinc/32/71/19/428327119.db2.gz YPMCBOGWBMWBOJ-SRVKXCTJSA-N 1 0 324.377 2.515 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000414550837 428335400 /nfs/dbraw/zinc/33/54/00/428335400.db2.gz AMYIGOCJTSUFEV-CTEOGUNLSA-N 1 0 318.373 2.883 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000414551029 428336817 /nfs/dbraw/zinc/33/68/17/428336817.db2.gz AMYIGOCJTSUFEV-ZGRWHYIRSA-N 1 0 318.373 2.883 20 5 DFBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000414555964 428339804 /nfs/dbraw/zinc/33/98/04/428339804.db2.gz IWQGCCBSSIXMFI-KEDPEKRHSA-N 1 0 317.389 2.597 20 5 DFBDRO CC(C)CC[C@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000360676530 428394724 /nfs/dbraw/zinc/39/47/24/428394724.db2.gz PKGNINJWEWWRME-KRWDZBQOSA-N 1 0 321.421 2.514 20 5 DFBDRO Cn1ccnc1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000371506457 428395861 /nfs/dbraw/zinc/39/58/61/428395861.db2.gz ROQFOZBSJYNADM-CQSZACIVSA-N 1 0 304.325 2.805 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353142672 428404545 /nfs/dbraw/zinc/40/45/45/428404545.db2.gz HCAVIVUNNGGZKG-UONOGXRCSA-N 1 0 314.769 2.532 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342227665 428358927 /nfs/dbraw/zinc/35/89/27/428358927.db2.gz KMDKZWLXAARVMM-QWHCGFSZSA-N 1 0 322.315 2.739 20 5 DFBDRO CC(C)(c1nc(C2([NH3+])CCC2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000414645637 428363866 /nfs/dbraw/zinc/36/38/66/428363866.db2.gz OCVNJHXWKXOYMY-UHFFFAOYSA-N 1 0 320.324 2.781 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cccc(SC)c2[N+](=O)[O-])n1 ZINC000414639420 428364291 /nfs/dbraw/zinc/36/42/91/428364291.db2.gz FEPOCPBVMGVUQF-QMMMGPOBSA-N 1 0 308.363 2.517 20 5 DFBDRO C[C@H](C[NH+](C)C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000342241700 428364872 /nfs/dbraw/zinc/36/48/72/428364872.db2.gz VVJKOKDMQGETPI-LLVKDONJSA-N 1 0 320.418 2.758 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000342256842 428370682 /nfs/dbraw/zinc/37/06/82/428370682.db2.gz XBMVPTKVMQCSMK-GMLRFVCHSA-N 1 0 304.390 2.996 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000342256843 428370874 /nfs/dbraw/zinc/37/08/74/428370874.db2.gz XBMVPTKVMQCSMK-JFCGUDLGSA-N 1 0 304.390 2.996 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H](CO)C3CC3)o2)cc1 ZINC000353063751 428373902 /nfs/dbraw/zinc/37/39/02/428373902.db2.gz VPVCMWVFHSWPIT-AWEZNQCLSA-N 1 0 316.357 2.963 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCNCc1cccnc1 ZINC000414871229 428441571 /nfs/dbraw/zinc/44/15/71/428441571.db2.gz DIEWBNCBAMHGBO-UHFFFAOYSA-N 1 0 314.389 2.568 20 5 DFBDRO Cc1cccc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000378642356 428446262 /nfs/dbraw/zinc/44/62/62/428446262.db2.gz FRPPSYZUYYKHPO-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO Cc1ccccc1C1=CC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000378645750 428447061 /nfs/dbraw/zinc/44/70/61/428447061.db2.gz FQWCRVFTFMZABH-UHFFFAOYSA-N 1 0 312.373 2.889 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922850 428460518 /nfs/dbraw/zinc/46/05/18/428460518.db2.gz HKZWPPNDEDKQLS-GHMZBOCLSA-N 1 0 315.320 2.556 20 5 DFBDRO C[NH2+]CCNCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414831505 428427540 /nfs/dbraw/zinc/42/75/40/428427540.db2.gz PVHUYMZIQAYOSV-UHFFFAOYSA-N 1 0 309.753 2.817 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@H]2CCC[NH2+]2)o1 ZINC000414854405 428433331 /nfs/dbraw/zinc/43/33/31/428433331.db2.gz ZJIAJVUFUCGQNS-GFCCVEGCSA-N 1 0 301.346 2.696 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353331679 428490593 /nfs/dbraw/zinc/49/05/93/428490593.db2.gz NZNONLIJBSQEDO-NBUZRDOWSA-N 1 0 301.390 2.777 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000353331678 428490689 /nfs/dbraw/zinc/49/06/89/428490689.db2.gz NZNONLIJBSQEDO-MQDFFIGUSA-N 1 0 301.390 2.777 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000353331677 428490731 /nfs/dbraw/zinc/49/07/31/428490731.db2.gz NZNONLIJBSQEDO-LEXSJLIMSA-N 1 0 301.390 2.777 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC(C)(C)[NH+](C)C ZINC000360918860 428491618 /nfs/dbraw/zinc/49/16/18/428491618.db2.gz MTDWJTUCLHHXBT-CQSZACIVSA-N 1 0 321.421 2.620 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000415037104 428496033 /nfs/dbraw/zinc/49/60/33/428496033.db2.gz GCXLLVYCNVRDJL-MLGOLLRUSA-N 1 0 307.369 2.698 20 5 DFBDRO Cn1ccnc1[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353356462 428500280 /nfs/dbraw/zinc/50/02/80/428500280.db2.gz VOIXNHVOZXUIFA-ZDUSSCGKSA-N 1 0 315.333 2.601 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCC12CCC[NH+]1CCC2 ZINC000343049499 428510382 /nfs/dbraw/zinc/51/03/82/428510382.db2.gz AHERWYFLGDQZDZ-UHFFFAOYSA-N 1 0 312.373 3.183 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCCC12CCC2 ZINC000373093878 428518973 /nfs/dbraw/zinc/51/89/73/428518973.db2.gz CGMZPCWEAOPGSG-UHFFFAOYSA-N 1 0 303.362 2.860 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3ccccc3F)CC2)n1 ZINC000373245698 428525762 /nfs/dbraw/zinc/52/57/62/428525762.db2.gz NHYXKGZUWGUKMO-UHFFFAOYSA-N 1 0 304.325 2.768 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415479257 428586915 /nfs/dbraw/zinc/58/69/15/428586915.db2.gz FJXUCMVHSRRFHX-LBPRGKRZSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415492313 428589463 /nfs/dbraw/zinc/58/94/63/428589463.db2.gz BQUNEWJJRBPIJX-NEPJUHHUSA-N 1 0 306.366 2.542 20 5 DFBDRO C[NH2+]CCCN(C)Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415140324 428536694 /nfs/dbraw/zinc/53/66/94/428536694.db2.gz YRKDCSKGAXNTJB-UHFFFAOYSA-N 1 0 320.418 2.760 20 5 DFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347319685 428542918 /nfs/dbraw/zinc/54/29/18/428542918.db2.gz RAYNLEYDTWRUNL-HIFRSBDPSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000347319688 428542935 /nfs/dbraw/zinc/54/29/35/428542935.db2.gz RAYNLEYDTWRUNL-UKRRQHHQSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@](C)(F)C1 ZINC000347343708 428554991 /nfs/dbraw/zinc/55/49/91/428554991.db2.gz GZHRHSSDMNDQLT-HNNXBMFYSA-N 1 0 309.341 2.666 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000357709967 428557382 /nfs/dbraw/zinc/55/73/82/428557382.db2.gz SEEXHDZHCMUXIF-INIZCTEOSA-N 1 0 321.421 2.762 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000343539589 428559653 /nfs/dbraw/zinc/55/96/53/428559653.db2.gz FCZKMUSTYOSGCA-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000361375297 428562357 /nfs/dbraw/zinc/56/23/57/428562357.db2.gz CHJAXRWGKFYSBY-ZIAGYGMSSA-N 1 0 317.389 2.684 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415293618 428562678 /nfs/dbraw/zinc/56/26/78/428562678.db2.gz JLSUJBFJQHPELD-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415298663 428565032 /nfs/dbraw/zinc/56/50/32/428565032.db2.gz PKJXHZYNMVHDGO-IINYFYTJSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000415303574 428565531 /nfs/dbraw/zinc/56/55/31/428565531.db2.gz UXNATSHRCLBAJI-OCCSQVGLSA-N 1 0 320.393 2.945 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415303703 428565599 /nfs/dbraw/zinc/56/55/99/428565599.db2.gz VDGFSTUTVJMEPA-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415303706 428565731 /nfs/dbraw/zinc/56/57/31/428565731.db2.gz VDGFSTUTVJMEPA-LBPRGKRZSA-N 1 0 308.382 2.707 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000347375801 428567377 /nfs/dbraw/zinc/56/73/77/428567377.db2.gz SAGSPVHEJPJLMX-ODDCISTRSA-N 1 0 317.389 2.586 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000415582961 428598382 /nfs/dbraw/zinc/59/83/82/428598382.db2.gz QDSZXSNYIRMQMG-QWHCGFSZSA-N 1 0 320.393 2.803 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000361968219 428608359 /nfs/dbraw/zinc/60/83/59/428608359.db2.gz ZRJNPBVMMNIHDB-LSDHHAIUSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1cc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301614730 274096621 /nfs/dbraw/zinc/09/66/21/274096621.db2.gz IKRGWRPGICRNQR-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO CSC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000289005422 274174385 /nfs/dbraw/zinc/17/43/85/274174385.db2.gz FDFREGIQFHMQTA-UHFFFAOYSA-N 1 0 307.419 2.612 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000362181114 428651906 /nfs/dbraw/zinc/65/19/06/428651906.db2.gz ODWZIACRVOTMBZ-QWRGUYRKSA-N 1 0 312.341 2.647 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ncccc1[N+](=O)[O-] ZINC000302032706 274213339 /nfs/dbraw/zinc/21/33/39/274213339.db2.gz SRVULWREUKBETO-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO C[C@@H]([N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(C)CC1 ZINC000177229942 274234059 /nfs/dbraw/zinc/23/40/59/274234059.db2.gz PCGHVDKCOOPHOG-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262737969 274238583 /nfs/dbraw/zinc/23/85/83/274238583.db2.gz GTQCRLFOGKBBAM-MFKMUULPSA-N 1 0 317.345 2.683 20 5 DFBDRO C[C@@H](c1ccccc1)[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000298019180 274277730 /nfs/dbraw/zinc/27/77/30/274277730.db2.gz DMNIRBQEUGZKQD-AWEZNQCLSA-N 1 0 312.373 2.873 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408434816 428659566 /nfs/dbraw/zinc/65/95/66/428659566.db2.gz IRQLRXCBSCMPKV-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276681999 274374602 /nfs/dbraw/zinc/37/46/02/274374602.db2.gz VELVEZWRYIGWEL-TZMCWYRMSA-N 1 0 312.373 2.816 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067374520 274384248 /nfs/dbraw/zinc/38/42/48/274384248.db2.gz ZKXWNXYGWZABRH-XJKCOSOUSA-N 1 0 317.389 2.678 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000374583096 428702899 /nfs/dbraw/zinc/70/28/99/428702899.db2.gz FFOBESGVDHCFGM-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCn1ccnc1C ZINC000344842349 428710032 /nfs/dbraw/zinc/71/00/32/428710032.db2.gz AZFJCLLNNUQOEF-JLHYYAGUSA-N 1 0 300.362 2.793 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344894922 428720613 /nfs/dbraw/zinc/72/06/13/428720613.db2.gz YRJXCNXFUZZNEG-JWAFFJSPSA-N 1 0 319.405 2.893 20 5 DFBDRO CCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)cn1 ZINC000348361975 428720943 /nfs/dbraw/zinc/72/09/43/428720943.db2.gz UJNLQTWQHDZGFI-UHFFFAOYSA-N 1 0 315.377 2.586 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000358915668 428728892 /nfs/dbraw/zinc/72/88/92/428728892.db2.gz PTAXMAZXKSYGQN-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348249842 428680389 /nfs/dbraw/zinc/68/03/89/428680389.db2.gz ZSVYKYITWCVIOG-DOTOQJQBSA-N 1 0 315.373 2.807 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000353883534 428760886 /nfs/dbraw/zinc/76/08/86/428760886.db2.gz QGDSKJYPVRKTKP-HZPDHXFCSA-N 1 0 304.390 2.524 20 5 DFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cn1 ZINC000374857489 428766112 /nfs/dbraw/zinc/76/61/12/428766112.db2.gz ASELMZIRQJDLMH-CYBMUJFWSA-N 1 0 318.352 2.532 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353910994 428774842 /nfs/dbraw/zinc/77/48/42/428774842.db2.gz FFWRPUMHACJZHM-YPMHNXCESA-N 1 0 320.393 2.761 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000374774123 428748074 /nfs/dbraw/zinc/74/80/74/428748074.db2.gz AHPSXOSUUFPBCI-YCPHGPKFSA-N 1 0 319.380 2.650 20 5 DFBDRO C[N@H+](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000359168873 428849135 /nfs/dbraw/zinc/84/91/35/428849135.db2.gz XRSWDMVFDXTSFU-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@@H]1C ZINC000359083717 428808034 /nfs/dbraw/zinc/80/80/34/428808034.db2.gz PJBKMDFTIQFPJZ-UONOGXRCSA-N 1 0 306.410 2.916 20 5 DFBDRO C[C@@H]1[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375243032 428829771 /nfs/dbraw/zinc/82/97/71/428829771.db2.gz SXLRQORRBXUEMM-BBRMVZONSA-N 1 0 320.389 2.519 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081780 428853172 /nfs/dbraw/zinc/85/31/72/428853172.db2.gz HQIUXANWJGYHCK-INIZCTEOSA-N 1 0 303.406 2.759 20 5 DFBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354200404 428911882 /nfs/dbraw/zinc/91/18/82/428911882.db2.gz UMZQIXRRGIULHC-KGLIPLIRSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1 ZINC000348948201 428883000 /nfs/dbraw/zinc/88/30/00/428883000.db2.gz LNLLYXCBGGVJIS-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000363443125 428917426 /nfs/dbraw/zinc/91/74/26/428917426.db2.gz XXZORPXITMZSDI-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049341 428929861 /nfs/dbraw/zinc/92/98/61/428929861.db2.gz WEQVKXQEZAUCFY-DOMZBBRYSA-N 1 0 317.389 2.821 20 5 DFBDRO [NH3+]C1(CNc2nccc3cc([N+](=O)[O-])ccc32)CCCCC1 ZINC000420145675 428946626 /nfs/dbraw/zinc/94/66/26/428946626.db2.gz OSUYAFNZPZMPLH-UHFFFAOYSA-N 1 0 300.362 3.217 20 5 DFBDRO Cc1cn2c(n1)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])CCC2 ZINC000375705336 428948233 /nfs/dbraw/zinc/94/82/33/428948233.db2.gz PXBNAVQHCYNEKS-LLVKDONJSA-N 1 0 301.350 2.671 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420212461 428948831 /nfs/dbraw/zinc/94/88/31/428948831.db2.gz XXCNBCGMKHWKOE-KBPBESRZSA-N 1 0 312.373 3.196 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420267885 428953463 /nfs/dbraw/zinc/95/34/63/428953463.db2.gz XBIOXAOYBAIUQN-BETUJISGSA-N 1 0 314.389 3.320 20 5 DFBDRO Cc1cc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000363622749 428954907 /nfs/dbraw/zinc/95/49/07/428954907.db2.gz BCWCPAFZYYEATN-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000375737805 428956173 /nfs/dbraw/zinc/95/61/73/428956173.db2.gz GJOZKYKGFGZWET-CQSZACIVSA-N 1 0 320.389 2.601 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000349291429 428957811 /nfs/dbraw/zinc/95/78/11/428957811.db2.gz ZLTJHGFPMNEKSN-UHFFFAOYSA-N 1 0 314.389 2.554 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+]2CCC3(CCC3)CC2)c1 ZINC000375738661 428958344 /nfs/dbraw/zinc/95/83/44/428958344.db2.gz QOKFPQPZCOWNCO-OAHLLOKOSA-N 1 0 320.389 2.601 20 5 DFBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000363632940 428958723 /nfs/dbraw/zinc/95/87/23/428958723.db2.gz LKPXNZVQGRMOPL-IRXDYDNUSA-N 1 0 317.389 2.570 20 5 DFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000363641680 428959893 /nfs/dbraw/zinc/95/98/93/428959893.db2.gz QKWBPLRODKFCCQ-NWANDNLSSA-N 1 0 308.353 2.979 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C2 ZINC000375745393 428960558 /nfs/dbraw/zinc/96/05/58/428960558.db2.gz VEAZGCBGUQRHCS-UHFFFAOYSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1nc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000375761318 428962562 /nfs/dbraw/zinc/96/25/62/428962562.db2.gz FUIRCHFOSIKPDW-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000412026251 428912012 /nfs/dbraw/zinc/91/20/12/428912012.db2.gz RXSKHHRFESVOJJ-VIFPVBQESA-N 1 0 300.305 2.920 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H]([C@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913540 429019234 /nfs/dbraw/zinc/01/92/34/429019234.db2.gz SUGYKSMDVNUBHR-YPMHNXCESA-N 1 0 318.295 2.648 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000421744858 429024964 /nfs/dbraw/zinc/02/49/64/429024964.db2.gz QQDBZTDGSLMRNZ-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000421805292 429034829 /nfs/dbraw/zinc/03/48/29/429034829.db2.gz WPBFJQVXPGDHCS-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375965009 429029881 /nfs/dbraw/zinc/02/98/81/429029881.db2.gz ZGXPCGBGRQXVII-WFASDCNBSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375965005 429030744 /nfs/dbraw/zinc/03/07/44/429030744.db2.gz ZGXPCGBGRQXVII-IUODEOHRSA-N 1 0 318.377 2.685 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000433061247 428988964 /nfs/dbraw/zinc/98/89/64/428988964.db2.gz ONXALTISWYLRRB-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO C[NH+]1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000354476536 428992038 /nfs/dbraw/zinc/99/20/38/428992038.db2.gz ZZVCTQADWGFXKG-UHFFFAOYSA-N 1 0 318.402 3.224 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423671125 428993161 /nfs/dbraw/zinc/99/31/61/428993161.db2.gz VVVIJKVUQAALPP-TZMCWYRMSA-N 1 0 319.405 2.918 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000423695151 428997931 /nfs/dbraw/zinc/99/79/31/428997931.db2.gz GLUKBVKKKAFRMV-AWEZNQCLSA-N 1 0 319.405 2.782 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000423708880 429002032 /nfs/dbraw/zinc/00/20/32/429002032.db2.gz NFLSKSPKMZDITH-AWEZNQCLSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424112482 429092733 /nfs/dbraw/zinc/09/27/33/429092733.db2.gz JWFCAJHGADECSM-BXUZGUMPSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421853295 429040603 /nfs/dbraw/zinc/04/06/03/429040603.db2.gz IWQKBRBXJLXPFV-MGPQQGTHSA-N 1 0 319.405 2.846 20 5 DFBDRO C[C@]1(c2ccc(F)cc2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000376021439 429041948 /nfs/dbraw/zinc/04/19/48/429041948.db2.gz MDIWUADSMVWFGV-INIZCTEOSA-N 1 0 318.352 2.594 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376107794 429058055 /nfs/dbraw/zinc/05/80/55/429058055.db2.gz XNFBPYXISVAYBK-QWHCGFSZSA-N 1 0 303.362 2.836 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000452119194 429062709 /nfs/dbraw/zinc/06/27/09/429062709.db2.gz QBFMWSCPKBRCMH-HIFRSBDPSA-N 1 0 320.389 2.850 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](C[NH3+])C1CC1 ZINC000423955023 429063736 /nfs/dbraw/zinc/06/37/36/429063736.db2.gz SLLBDTDJXZZMMV-GFCCVEGCSA-N 1 0 319.386 2.619 20 5 DFBDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000423957446 429065547 /nfs/dbraw/zinc/06/55/47/429065547.db2.gz VSRXTOYRPGSTPK-CYBMUJFWSA-N 1 0 321.402 2.913 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000376155758 429067343 /nfs/dbraw/zinc/06/73/43/429067343.db2.gz FQLOXOZCBKIUSY-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423974492 429068883 /nfs/dbraw/zinc/06/88/83/429068883.db2.gz HYVJMYFZOWLCAX-SJKOYZFVSA-N 1 0 319.405 2.577 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000423981586 429070152 /nfs/dbraw/zinc/07/01/52/429070152.db2.gz QUYIOAHHVHROGQ-CYBMUJFWSA-N 1 0 319.386 2.649 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc([N+](=O)[O-])c1 ZINC000423978287 429070278 /nfs/dbraw/zinc/07/02/78/429070278.db2.gz QQNALHGFVRJRKE-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352727 429071261 /nfs/dbraw/zinc/07/12/61/429071261.db2.gz AKCZCIQGTRNSBJ-SRABZTEZSA-N 1 0 317.433 2.894 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423398973 429080747 /nfs/dbraw/zinc/08/07/47/429080747.db2.gz VRVSGAXZLQAZMO-CJNGLKHVSA-N 1 0 305.422 2.894 20 5 DFBDRO CCOc1c(Cl)cccc1C[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000487325159 429149964 /nfs/dbraw/zinc/14/99/64/429149964.db2.gz OIFOMPOTTXOSFF-UHFFFAOYSA-N 1 0 324.768 2.633 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413025302 429124027 /nfs/dbraw/zinc/12/40/27/429124027.db2.gz QCBNBCOHAVBIOO-SECBINFHSA-N 1 0 318.299 2.905 20 5 DFBDRO CC[NH+]1CCC(Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000413031395 429125420 /nfs/dbraw/zinc/12/54/20/429125420.db2.gz IOLIEEOMEZBJJF-UHFFFAOYSA-N 1 0 318.299 2.905 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424330621 429127831 /nfs/dbraw/zinc/12/78/31/429127831.db2.gz RYFRGIUBZASSCC-BBRMVZONSA-N 1 0 319.405 2.894 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC[NH+]2CCCCC2)c(C(F)(F)F)c1 ZINC000413055065 429129146 /nfs/dbraw/zinc/12/91/46/429129146.db2.gz PRGXXXXHLAZGQY-UHFFFAOYSA-N 1 0 318.299 2.906 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413102661 429138411 /nfs/dbraw/zinc/13/84/11/429138411.db2.gz VOWIXPOEYCZMNZ-MRVPVSSYSA-N 1 0 306.288 2.761 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000376578634 429140050 /nfs/dbraw/zinc/14/00/50/429140050.db2.gz CHEUZZJNKWIWBQ-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1csc([N+](=O)[O-])c1 ZINC000376578596 429140072 /nfs/dbraw/zinc/14/00/72/429140072.db2.gz CCNUIJSQZZHFEX-QWHCGFSZSA-N 1 0 323.418 2.745 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071380 429166144 /nfs/dbraw/zinc/16/61/44/429166144.db2.gz YWVMQDIALZWOHZ-VXGBXAGGSA-N 1 0 324.352 2.601 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071377 429166517 /nfs/dbraw/zinc/16/65/17/429166517.db2.gz YWVMQDIALZWOHZ-RYUDHWBXSA-N 1 0 324.352 2.601 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172416609 275012592 /nfs/dbraw/zinc/01/25/92/275012592.db2.gz MYQGWMHBTMQHOX-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301368069 275033941 /nfs/dbraw/zinc/03/39/41/275033941.db2.gz RRNKQGQAMLWMNM-FPMFFAJLSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c(Cl)c1 ZINC000368081969 275035618 /nfs/dbraw/zinc/03/56/18/275035618.db2.gz REBWQLMDHWKOGU-SNVBAGLBSA-N 1 0 306.753 2.618 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[N@@H+]4CCCC[C@H]4C3)ccc2c1 ZINC000264832880 275039079 /nfs/dbraw/zinc/03/90/79/275039079.db2.gz IEXWSMVVSKCQQT-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c1 ZINC000288564258 275039403 /nfs/dbraw/zinc/03/94/03/275039403.db2.gz MMNKAUOCMASURD-CQSZACIVSA-N 1 0 302.305 2.827 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000289645401 275040132 /nfs/dbraw/zinc/04/01/32/275040132.db2.gz FXUPQOWMDMJMLY-ZBFHGGJFSA-N 1 0 314.389 2.861 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000291625278 275041896 /nfs/dbraw/zinc/04/18/96/275041896.db2.gz KWHOCAUCIXHRDY-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cc([N+](=O)[O-])c1 ZINC000364095788 429171070 /nfs/dbraw/zinc/17/10/70/429171070.db2.gz OQHCSRFJBKOBPN-JKSUJKDBSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488574575 429185710 /nfs/dbraw/zinc/18/57/10/429185710.db2.gz RJHBGJIAEJDZAX-DBWMJRBXSA-N 1 0 303.406 2.880 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3cc(F)cc(F)c3)C2)c1 ZINC000364336605 429186408 /nfs/dbraw/zinc/18/64/08/429186408.db2.gz LAHWJIAHIAMONS-AWEZNQCLSA-N 1 0 322.315 2.907 20 5 DFBDRO COc1cc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000495240628 429191304 /nfs/dbraw/zinc/19/13/04/429191304.db2.gz MTNHPQFZSPVWEV-WBMJQRKESA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000436266764 429191979 /nfs/dbraw/zinc/19/19/79/429191979.db2.gz OZWFPBDXWZGDEJ-UKRRQHHQSA-N 1 0 324.425 2.792 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3nccc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000425281220 429257146 /nfs/dbraw/zinc/25/71/46/429257146.db2.gz IPSGOQLGHHHRLF-XJKSGUPXSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000425348151 429271214 /nfs/dbraw/zinc/27/12/14/429271214.db2.gz BQRUMKKFXXHERQ-KTDSNECNSA-N 1 0 301.390 2.634 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286536580 275504181 /nfs/dbraw/zinc/50/41/81/275504181.db2.gz VIZMCOKXZKWUFM-DOMZBBRYSA-N 1 0 317.389 2.860 20 5 DFBDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142993 429341781 /nfs/dbraw/zinc/34/17/81/429341781.db2.gz PHHVTUYUTPVNQN-ZBFHGGJFSA-N 1 0 305.422 2.990 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000365290980 429295256 /nfs/dbraw/zinc/29/52/56/429295256.db2.gz GEECDSFBEZITDM-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000449342111 429391416 /nfs/dbraw/zinc/39/14/16/429391416.db2.gz ZBUXUZPNNRIHIT-RYUDHWBXSA-N 1 0 301.346 2.977 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000449281582 429374886 /nfs/dbraw/zinc/37/48/86/429374886.db2.gz DFSGXHSGRUIKGV-WFASDCNBSA-N 1 0 312.369 2.988 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000365822343 429380272 /nfs/dbraw/zinc/38/02/72/429380272.db2.gz SDBSIMRVSAUJHV-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO Cc1ccc([C@H]2CCC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000365840323 429383100 /nfs/dbraw/zinc/38/31/00/429383100.db2.gz MOLNDXQLKMRSBM-INIZCTEOSA-N 1 0 314.389 2.979 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457046283 429383828 /nfs/dbraw/zinc/38/38/28/429383828.db2.gz BOQLZKYLNBUIDB-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457050347 429385745 /nfs/dbraw/zinc/38/57/45/429385745.db2.gz LFOUSQKTWQIQEG-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517588888 429389380 /nfs/dbraw/zinc/38/93/80/429389380.db2.gz UISLBZIKAGYXKQ-CYBMUJFWSA-N 1 0 306.362 2.761 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449505957 429438274 /nfs/dbraw/zinc/43/82/74/429438274.db2.gz KDUHBZRGBVYIKG-NJAPINKUSA-N 1 0 318.417 2.913 20 5 DFBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366265944 429444263 /nfs/dbraw/zinc/44/42/63/429444263.db2.gz HEVNHIGJCWQMJP-IRXDYDNUSA-N 1 0 320.389 2.755 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000457367684 429452747 /nfs/dbraw/zinc/45/27/47/429452747.db2.gz XKBVCDJYLMWEFZ-ZWNOBZJWSA-N 1 0 323.418 2.659 20 5 DFBDRO Cc1ccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448673 429454626 /nfs/dbraw/zinc/45/46/26/429454626.db2.gz DFXVXIWPALDABA-YOEHRIQHSA-N 1 0 320.389 2.673 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@@H]2C2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449422803 429413241 /nfs/dbraw/zinc/41/32/41/429413241.db2.gz FQPXTIMYGRDNME-MRXNPFEDSA-N 1 0 312.373 2.980 20 5 DFBDRO C[N@H+](CCCCNC(=O)CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000457175443 429419787 /nfs/dbraw/zinc/41/97/87/429419787.db2.gz XYZVASCEKFCBBC-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc(C(=O)NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000457192438 429423106 /nfs/dbraw/zinc/42/31/06/429423106.db2.gz YPPWGRYSGLHXMD-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@](C)(C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449479132 429431321 /nfs/dbraw/zinc/43/13/21/429431321.db2.gz UKMWLOGSJZWILI-MLGOLLRUSA-N 1 0 323.393 2.717 20 5 DFBDRO CC(C)C[C@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000520703362 429525636 /nfs/dbraw/zinc/52/56/36/429525636.db2.gz HLYVATOWRSNGLV-XJKSGUPXSA-N 1 0 321.421 2.791 20 5 DFBDRO CC(C)c1ccc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000449676373 429477002 /nfs/dbraw/zinc/47/70/02/429477002.db2.gz GRPWZRSJVNYXGD-BBRMVZONSA-N 1 0 322.405 2.690 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000366835003 429522590 /nfs/dbraw/zinc/52/25/90/429522590.db2.gz AWGUJAWUCKNUQY-GJZGRUSLSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000236784955 275846231 /nfs/dbraw/zinc/84/62/31/275846231.db2.gz HLRWXYJAVRZRJD-GFCCVEGCSA-N 1 0 319.405 2.703 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261764709 275846513 /nfs/dbraw/zinc/84/65/13/275846513.db2.gz FKTBNSLEQQZXBT-QGZVFWFLSA-N 1 0 319.405 2.703 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428996295 429568131 /nfs/dbraw/zinc/56/81/31/429568131.db2.gz QVHJPHYTHJMSDS-IIYDPXPESA-N 1 0 321.396 2.896 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000521899331 429568110 /nfs/dbraw/zinc/56/81/10/429568110.db2.gz RSTQSADOORUTET-CQSZACIVSA-N 1 0 319.405 2.772 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000522061188 429577108 /nfs/dbraw/zinc/57/71/08/429577108.db2.gz SGHJQYONROEYRS-NXEZZACHSA-N 1 0 311.407 2.562 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000522191849 429585354 /nfs/dbraw/zinc/58/53/54/429585354.db2.gz DWFXNEQXFIUKKL-CYBMUJFWSA-N 1 0 320.393 2.755 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429846513 429636182 /nfs/dbraw/zinc/63/61/82/429636182.db2.gz AWRMZEULJWVOKZ-UHFFFAOYSA-N 1 0 321.421 2.719 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)n1 ZINC000450548575 429645515 /nfs/dbraw/zinc/64/55/15/429645515.db2.gz SSYQYWSGQWPVRB-LLVKDONJSA-N 1 0 304.394 2.527 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450329312 429601741 /nfs/dbraw/zinc/60/17/41/429601741.db2.gz FLPSLECHGUUYDG-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450370599 429611876 /nfs/dbraw/zinc/61/18/76/429611876.db2.gz ZOJABVSSPZRTEW-KBPBESRZSA-N 1 0 314.389 3.428 20 5 DFBDRO C[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000525487306 429661634 /nfs/dbraw/zinc/66/16/34/429661634.db2.gz ATNMIQQOEGRMIT-CQSZACIVSA-N 1 0 300.358 2.978 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000430207027 429663195 /nfs/dbraw/zinc/66/31/95/429663195.db2.gz PTPLOLDIBGMONH-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000430217150 429664086 /nfs/dbraw/zinc/66/40/86/429664086.db2.gz ILTLZKWCGHZRJQ-UKRRQHHQSA-N 1 0 320.389 2.852 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242558 429666972 /nfs/dbraw/zinc/66/69/72/429666972.db2.gz JBBHBXNDMADWGE-OAHLLOKOSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCOC1 ZINC000285547773 276054235 /nfs/dbraw/zinc/05/42/35/276054235.db2.gz LZZSGMWPGDPLOE-AWEZNQCLSA-N 1 0 309.322 2.552 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[NH+](CC)CC)CC1 ZINC000360953381 276095766 /nfs/dbraw/zinc/09/57/66/276095766.db2.gz KOIBZMMAOHEDPN-UHFFFAOYSA-N 1 0 323.441 2.678 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000354505482 276103673 /nfs/dbraw/zinc/10/36/73/276103673.db2.gz UAJRRAAKOKUUGW-CYBMUJFWSA-N 1 0 321.421 2.980 20 5 DFBDRO CC1(C)[C@H]2CC[C@]1(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)C2 ZINC000163099222 276165725 /nfs/dbraw/zinc/16/57/25/276165725.db2.gz HOUVZQJECLIOCW-DXCKQFNASA-N 1 0 319.405 2.561 20 5 DFBDRO C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000367609800 429685668 /nfs/dbraw/zinc/68/56/68/429685668.db2.gz XTPOTUXYQBUNLA-YQQAZPJKSA-N 1 0 303.406 2.600 20 5 DFBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000286054028 276332713 /nfs/dbraw/zinc/33/27/13/276332713.db2.gz IVXIVXLWHVDVHF-ZDUSSCGKSA-N 1 0 311.338 2.654 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000354983509 276340601 /nfs/dbraw/zinc/34/06/01/276340601.db2.gz OALIYGQJMICEIE-DUVNUKRYSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1cccc2c1CC(C)(C)[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000451259716 429797171 /nfs/dbraw/zinc/79/71/71/429797171.db2.gz IGIKKCUALRMICL-UHFFFAOYSA-N 1 0 314.389 2.937 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000493395973 429752936 /nfs/dbraw/zinc/75/29/36/429752936.db2.gz YDMWGMAWSKUELY-XYLWRLHESA-N 1 0 323.368 2.592 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432175931 429807268 /nfs/dbraw/zinc/80/72/68/429807268.db2.gz KDZXJDPDEZFSBG-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CCOc1cccc(N2CC[N@H+](C)[C@@H](C(C)C)C2)c1[N+](=O)[O-] ZINC000487086987 429764541 /nfs/dbraw/zinc/76/45/41/429764541.db2.gz OQKJLKQYYNLUJS-CQSZACIVSA-N 1 0 307.394 2.770 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1C ZINC000487078537 429765122 /nfs/dbraw/zinc/76/51/22/429765122.db2.gz MSQDTEMMDHKBPT-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=C(CC[NH+]1CCC(CF)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000451396366 429822223 /nfs/dbraw/zinc/82/22/23/429822223.db2.gz SFJWEVVBMXTIPR-UHFFFAOYSA-N 1 0 309.341 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000451472393 429833179 /nfs/dbraw/zinc/83/31/79/429833179.db2.gz SEZXLPRPSJXRMS-ZBFHGGJFSA-N 1 0 320.389 2.647 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000451528321 429843404 /nfs/dbraw/zinc/84/34/04/429843404.db2.gz QCNWKQLJRUXJQG-DOMZBBRYSA-N 1 0 308.378 2.850 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC2)CC1 ZINC000368426348 429847444 /nfs/dbraw/zinc/84/74/44/429847444.db2.gz VPHQFYXJZPCTNY-GFCCVEGCSA-N 1 0 303.362 2.798 20 5 DFBDRO CO[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000451545090 429849500 /nfs/dbraw/zinc/84/95/00/429849500.db2.gz NSIJYIAYUGLUSM-MFKMUULPSA-N 1 0 305.334 2.593 20 5 DFBDRO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545979 429849689 /nfs/dbraw/zinc/84/96/89/429849689.db2.gz IKVLEAJZJJDLJO-OAHLLOKOSA-N 1 0 319.405 2.689 20 5 DFBDRO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451559603 429855273 /nfs/dbraw/zinc/85/52/73/429855273.db2.gz HIURQMQFHOUBBS-OAHLLOKOSA-N 1 0 319.405 2.643 20 5 DFBDRO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451559601 429855495 /nfs/dbraw/zinc/85/54/95/429855495.db2.gz HIURQMQFHOUBBS-HNNXBMFYSA-N 1 0 319.405 2.643 20 5 DFBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@H](C)c1cccc(O)c1 ZINC000494580867 429881442 /nfs/dbraw/zinc/88/14/42/429881442.db2.gz SINKDAXKTNAONA-LLVKDONJSA-N 1 0 304.350 2.617 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000451743296 429881826 /nfs/dbraw/zinc/88/18/26/429881826.db2.gz TWJNAUMGEAGZOA-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000451740988 429882277 /nfs/dbraw/zinc/88/22/77/429882277.db2.gz NEUYCQCWYJHAQY-LLVKDONJSA-N 1 0 313.348 2.789 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685880 429886509 /nfs/dbraw/zinc/88/65/09/429886509.db2.gz BZQCEGVRIXXWNQ-RYUDHWBXSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1c(C[N@@H+]2CCCC[C@@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369281221 429922360 /nfs/dbraw/zinc/92/23/60/429922360.db2.gz VNBRFTAYWXOCNN-OAHLLOKOSA-N 1 0 315.377 2.549 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000369279625 429922452 /nfs/dbraw/zinc/92/24/52/429922452.db2.gz MKXMYDROHHTIRS-AWEZNQCLSA-N 1 0 314.389 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)cc1 ZINC000451695887 429872614 /nfs/dbraw/zinc/87/26/14/429872614.db2.gz AKUVFULAUGVODG-HLLBOEOZSA-N 1 0 304.390 2.620 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000368590769 429873535 /nfs/dbraw/zinc/87/35/35/429873535.db2.gz DXSQCOJOYBSVDA-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCO[C@H]3CCC[C@@H]32)cc1 ZINC000369458793 429948847 /nfs/dbraw/zinc/94/88/47/429948847.db2.gz RNHPLZNXLCOOHT-HOTGVXAUSA-N 1 0 306.362 2.617 20 5 DFBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1Cc1ccccc1 ZINC000557740659 429953512 /nfs/dbraw/zinc/95/35/12/429953512.db2.gz HGYJSGDAURRYPE-INIZCTEOSA-N 1 0 311.385 2.958 20 5 DFBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574444959 430042559 /nfs/dbraw/zinc/04/25/59/430042559.db2.gz JHLHWIRVAIEWMY-GUTXKFCHSA-N 1 0 310.394 2.749 20 5 DFBDRO C[C@H]1CC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000574072704 430006770 /nfs/dbraw/zinc/00/67/70/430006770.db2.gz ZXYZIHIQZCSHES-IOASZLSFSA-N 1 0 322.405 2.749 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000559625890 430009899 /nfs/dbraw/zinc/00/98/99/430009899.db2.gz UMBVPDAOYFCUOC-GFCCVEGCSA-N 1 0 304.394 2.705 20 5 DFBDRO COCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000574109102 430011986 /nfs/dbraw/zinc/01/19/86/430011986.db2.gz LFETWDNLCNDZIB-CQSZACIVSA-N 1 0 322.405 2.997 20 5 DFBDRO COc1cc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000559901371 430016123 /nfs/dbraw/zinc/01/61/23/430016123.db2.gz NLTAMAPTWCSXIU-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1cncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000560002489 430018148 /nfs/dbraw/zinc/01/81/48/430018148.db2.gz LKOUQUXQBJILHP-HUUCEWRRSA-N 1 0 315.377 2.768 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000530542730 430120054 /nfs/dbraw/zinc/12/00/54/430120054.db2.gz CARZPCBKSTVFGC-ZDUSSCGKSA-N 1 0 314.389 3.285 20 5 DFBDRO COC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000562342044 430122253 /nfs/dbraw/zinc/12/22/53/430122253.db2.gz WRMYKJBGFOUFAY-VIFPVBQESA-N 1 0 306.284 2.986 20 5 DFBDRO C[NH+]1CCC(NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000126969030 277030571 /nfs/dbraw/zinc/03/05/71/277030571.db2.gz NJZDQDFKIUHBGU-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000331155386 277039991 /nfs/dbraw/zinc/03/99/91/277039991.db2.gz YMDMHFAAUCOXFP-STQMWFEESA-N 1 0 319.405 2.892 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000283759025 277106320 /nfs/dbraw/zinc/10/63/20/277106320.db2.gz MQCXVMLRWBXGEY-CZUORRHYSA-N 1 0 317.389 2.718 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000581247875 430191412 /nfs/dbraw/zinc/19/14/12/430191412.db2.gz CHXRJIRDJGEWAZ-GFCCVEGCSA-N 1 0 302.378 2.517 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])C2 ZINC000080717503 277214885 /nfs/dbraw/zinc/21/48/85/277214885.db2.gz CCIIBBRYAOKMEY-WDEREUQCSA-N 1 0 323.780 2.557 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000236578674 277267231 /nfs/dbraw/zinc/26/72/31/277267231.db2.gz OMTISHWUJMRTKP-OCCSQVGLSA-N 1 0 319.405 2.750 20 5 DFBDRO COc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046813 277381695 /nfs/dbraw/zinc/38/16/95/277381695.db2.gz PUZZNRIPNXADBE-DGCLKSJQSA-N 1 0 323.368 2.663 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000294990780 277381858 /nfs/dbraw/zinc/38/18/58/277381858.db2.gz QNFAOBIOZHXGTI-NSHDSACASA-N 1 0 323.368 2.663 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+]C3(C4CC4)CC3)o2)cc1 ZINC000542526072 430216142 /nfs/dbraw/zinc/21/61/42/430216142.db2.gz PLOYXTBVUFZVAC-UHFFFAOYSA-N 1 0 300.318 2.677 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000581499223 430216787 /nfs/dbraw/zinc/21/67/87/430216787.db2.gz XOLUDVMAOCYLIM-ZDUSSCGKSA-N 1 0 322.409 2.555 20 5 DFBDRO CC[NH2+]CC1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000582122654 430271212 /nfs/dbraw/zinc/27/12/12/430271212.db2.gz VDHKALOKIOJLHL-UHFFFAOYSA-N 1 0 318.421 2.695 20 5 DFBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000544529331 430284186 /nfs/dbraw/zinc/28/41/86/430284186.db2.gz LUVLMUOTKZSWBW-ZBFHGGJFSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546265 430309951 /nfs/dbraw/zinc/30/99/51/430309951.db2.gz JUEOGOHRBBAXRN-MNOVXSKESA-N 1 0 320.418 2.934 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546266 430310732 /nfs/dbraw/zinc/31/07/32/430310732.db2.gz JUEOGOHRBBAXRN-QWRGUYRKSA-N 1 0 320.418 2.934 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]1(C)CO ZINC000546810526 430371668 /nfs/dbraw/zinc/37/16/68/430371668.db2.gz FWTCEVPFEFKSQP-MRXNPFEDSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000568782060 430393433 /nfs/dbraw/zinc/39/34/33/430393433.db2.gz HNWHVZAUGSCARU-HNNXBMFYSA-N 1 0 319.405 2.594 20 5 DFBDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569473316 430456516 /nfs/dbraw/zinc/45/65/16/430456516.db2.gz XAAPKVWJWSSZCW-OAHLLOKOSA-N 1 0 300.362 2.722 20 5 DFBDRO CN(C)c1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000570344177 430535717 /nfs/dbraw/zinc/53/57/17/430535717.db2.gz QBJSWXPSIAQWDI-HNNXBMFYSA-N 1 0 312.373 2.833 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC1CC1)C(C)C ZINC000549943652 430536805 /nfs/dbraw/zinc/53/68/05/430536805.db2.gz BAYJMIXJSKEODA-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000554742676 430651598 /nfs/dbraw/zinc/65/15/98/430651598.db2.gz UDVZUGHRXQSKOR-UHFFFAOYSA-N 1 0 316.405 2.693 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H]1CC[N@@H+](C(C)C)C1 ZINC000552986135 430604725 /nfs/dbraw/zinc/60/47/25/430604725.db2.gz LZXOTPMNCXPTKB-LBPRGKRZSA-N 1 0 321.377 2.584 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000552986134 430605516 /nfs/dbraw/zinc/60/55/16/430605516.db2.gz LZXOTPMNCXPTKB-GFCCVEGCSA-N 1 0 321.377 2.584 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000555313319 430665938 /nfs/dbraw/zinc/66/59/38/430665938.db2.gz AIAMOPAKYKVRMT-DVOMOZLQSA-N 1 0 319.405 2.543 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000572105442 430671019 /nfs/dbraw/zinc/67/10/19/430671019.db2.gz FRKWAGFUUVTKEL-GFCCVEGCSA-N 1 0 300.362 2.721 20 5 DFBDRO CC(C)c1ccc(CN2C[C@H]3CCC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000353708471 278037259 /nfs/dbraw/zinc/03/72/59/278037259.db2.gz GEPYIJLHOAKMJO-GDBMZVCRSA-N 1 0 303.406 2.902 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000262409524 278228152 /nfs/dbraw/zinc/22/81/52/278228152.db2.gz DALZEIFVFHOOLT-DTWKUNHWSA-N 1 0 318.299 2.572 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000408448421 278390037 /nfs/dbraw/zinc/39/00/37/278390037.db2.gz UQRMXBSLGUWJFW-HZSPNIEDSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286461710 278901010 /nfs/dbraw/zinc/90/10/10/278901010.db2.gz VADRQTTXMHSKBN-ZYHUDNBSSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@@H]1Cc2cc(F)ccc2[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000354833554 279011547 /nfs/dbraw/zinc/01/15/47/279011547.db2.gz ODVNUZGNVMPANW-VXGBXAGGSA-N 1 0 318.352 2.938 20 5 DFBDRO CCN(CC)[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000359012124 279160955 /nfs/dbraw/zinc/16/09/55/279160955.db2.gz CUNQDRVLIQRVFJ-QLFBSQMISA-N 1 0 323.441 2.595 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1ccc([N+](=O)[O-])cc1C(C)=O ZINC000288307097 279302250 /nfs/dbraw/zinc/30/22/50/279302250.db2.gz IJYTXZFGIIUXMJ-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO O=C(NCC12CC(C1)C[NH2+]2)c1cc2ccccc2c2cccnc12 ZINC000662721821 431173923 /nfs/dbraw/zinc/17/39/23/431173923.db2.gz WHUWRQGXJAXOQR-UHFFFAOYSA-N 1 0 317.392 2.870 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296791913 281021942 /nfs/dbraw/zinc/02/19/42/281021942.db2.gz QQGJYYGEIKRRPX-JSGCOSHPSA-N 1 0 321.377 2.737 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175039918 281191904 /nfs/dbraw/zinc/19/19/04/281191904.db2.gz HZQGKEYNBWNBET-LSDHHAIUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669101 281198255 /nfs/dbraw/zinc/19/82/55/281198255.db2.gz ONNBDJRSIMFYGV-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267413796 288312547 /nfs/dbraw/zinc/31/25/47/288312547.db2.gz QZKOBSGYLHUPKF-MNOVXSKESA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174869474 281398526 /nfs/dbraw/zinc/39/85/26/281398526.db2.gz ZDWIZWSXWUVSOS-GJZGRUSLSA-N 1 0 314.389 2.978 20 5 DFBDRO C[C@H](CC[NH3+])NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415703765 289121988 /nfs/dbraw/zinc/12/19/88/289121988.db2.gz RJBTXJMVABIQSC-SNVBAGLBSA-N 1 0 308.382 2.751 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415732545 289127697 /nfs/dbraw/zinc/12/76/97/289127697.db2.gz AKNSLVVTIJETKC-RYUDHWBXSA-N 1 0 306.366 2.549 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415756329 289131113 /nfs/dbraw/zinc/13/11/13/289131113.db2.gz DUMHZFKLTIVAKK-ZDUSSCGKSA-N 1 0 308.382 2.652 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415760042 289131792 /nfs/dbraw/zinc/13/17/92/289131792.db2.gz JORDPQFZUKLBLK-AWEZNQCLSA-N 1 0 320.393 2.667 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000415768063 289133232 /nfs/dbraw/zinc/13/32/32/289133232.db2.gz VBIBREFGZVVTRX-CYBMUJFWSA-N 1 0 320.393 2.763 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000436401781 297001288 /nfs/dbraw/zinc/00/12/88/297001288.db2.gz XQWXOLKILSFRQF-SNVBAGLBSA-N 1 0 318.299 2.761 20 5 DFBDRO [NH3+]C[C@H](NC(=O)/C=C/c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000155715014 295323776 /nfs/dbraw/zinc/32/37/76/295323776.db2.gz JFUWSAZGRKDKLU-SCOAYWHSSA-N 1 0 317.389 2.632 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000162855786 295417920 /nfs/dbraw/zinc/41/79/20/295417920.db2.gz OOOFMLXREGDVJZ-UHFFFAOYSA-N 1 0 320.393 2.709 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411388667 295536753 /nfs/dbraw/zinc/53/67/53/295536753.db2.gz NIPWDFMHELIPIH-UHOFOFEASA-N 1 0 319.405 2.545 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCC1 ZINC000412026250 295578090 /nfs/dbraw/zinc/57/80/90/295578090.db2.gz RXSKHHRFESVOJJ-SECBINFHSA-N 1 0 300.305 2.920 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)C2(OC)CCC2)c([N+](=O)[O-])cc1F ZINC000412030212 295578817 /nfs/dbraw/zinc/57/88/17/295578817.db2.gz ZHHKRYJDOKICFY-SNVBAGLBSA-N 1 0 312.341 2.790 20 5 DFBDRO COC(=O)CC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000440779901 297164675 /nfs/dbraw/zinc/16/46/75/297164675.db2.gz FUJMWSODSIJKDP-UHFFFAOYSA-N 1 0 318.373 2.903 20 5 DFBDRO O=C1CCN1c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000441206416 297175684 /nfs/dbraw/zinc/17/56/84/297175684.db2.gz VWSAJECGKKKYAS-UHFFFAOYSA-N 1 0 311.341 2.621 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000441280029 297178220 /nfs/dbraw/zinc/17/82/20/297178220.db2.gz BZNGRXPAIBWUMY-HUUCEWRRSA-N 1 0 320.389 2.722 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000443308104 297218971 /nfs/dbraw/zinc/21/89/71/297218971.db2.gz JMLFGOGDOPKMCI-ZOWXZIJZSA-N 1 0 308.378 2.585 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000443638443 297223710 /nfs/dbraw/zinc/22/37/10/297223710.db2.gz ANWJHNHOIIIJPV-IJEWVQPXSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446838192 297288143 /nfs/dbraw/zinc/28/81/43/297288143.db2.gz FYXSHYBMYCBGNO-ABAIWWIYSA-N 1 0 318.377 2.764 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccco2)n1 ZINC000447520687 297306190 /nfs/dbraw/zinc/30/61/90/297306190.db2.gz KYJPBLCRWWCGAS-ZIAGYGMSSA-N 1 0 304.350 2.700 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447527533 297306528 /nfs/dbraw/zinc/30/65/28/297306528.db2.gz GOLREARDVNLVSZ-GJZGRUSLSA-N 1 0 315.377 2.768 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447529106 297307003 /nfs/dbraw/zinc/30/70/03/297307003.db2.gz LEAPHMQYAKDPJS-BFHYXJOUSA-N 1 0 310.398 2.536 20 5 DFBDRO CC(C)CCOCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447560949 297308420 /nfs/dbraw/zinc/30/84/20/297308420.db2.gz GIZKRGWKBOIPLD-GJZGRUSLSA-N 1 0 324.425 2.927 20 5 DFBDRO CC(C)CCOCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447560951 297308425 /nfs/dbraw/zinc/30/84/25/297308425.db2.gz GIZKRGWKBOIPLD-HUUCEWRRSA-N 1 0 324.425 2.927 20 5 DFBDRO CCCCOCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564753 297308755 /nfs/dbraw/zinc/30/87/55/297308755.db2.gz ZAXRTQOGYOFRSE-ZIAGYGMSSA-N 1 0 310.398 2.681 20 5 DFBDRO Cn1ccc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447598391 297310268 /nfs/dbraw/zinc/31/02/68/297310268.db2.gz IBVZLXYZVCHFPK-MRXNPFEDSA-N 1 0 300.362 2.538 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602928 297310291 /nfs/dbraw/zinc/31/02/91/297310291.db2.gz WFTDGYBQMXFJNB-QWHCGFSZSA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCCO2)n1 ZINC000447598813 297310319 /nfs/dbraw/zinc/31/03/19/297310319.db2.gz WDMWWQHYYQUWDK-RBSFLKMASA-N 1 0 322.409 2.824 20 5 DFBDRO CCCC[NH+]1CCC(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]2)CC1 ZINC000447675218 297312884 /nfs/dbraw/zinc/31/28/84/297312884.db2.gz LQKCZXJEPFSTGB-UHFFFAOYSA-N 1 0 317.393 2.569 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447667708 297312891 /nfs/dbraw/zinc/31/28/91/297312891.db2.gz AGNFXWBOWAUIAK-LBPRGKRZSA-N 1 0 317.393 2.569 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)N=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447682737 297313189 /nfs/dbraw/zinc/31/31/89/297313189.db2.gz JLTOHJPQDAFHOZ-LBPRGKRZSA-N 1 0 317.393 2.569 20 5 DFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cncs1 ZINC000447827470 297319176 /nfs/dbraw/zinc/31/91/76/297319176.db2.gz NTNRHCYZODLJJU-UHFFFAOYSA-N 1 0 321.402 2.742 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447897762 297324685 /nfs/dbraw/zinc/32/46/85/297324685.db2.gz OYQHJZOAVKLUFT-AWEZNQCLSA-N 1 0 320.393 2.837 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000449210298 297423043 /nfs/dbraw/zinc/42/30/43/297423043.db2.gz RUMMKKACIXOHNN-CDMKHQONSA-N 1 0 320.311 2.817 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449299130 297439971 /nfs/dbraw/zinc/43/99/71/297439971.db2.gz LCNCIZGTMRUEOT-YUELXQCFSA-N 1 0 320.389 2.847 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000449342112 297449554 /nfs/dbraw/zinc/44/95/54/297449554.db2.gz ZBUXUZPNNRIHIT-VXGBXAGGSA-N 1 0 301.346 2.977 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449461038 297471996 /nfs/dbraw/zinc/47/19/96/297471996.db2.gz PBYUQGDAVLHYPL-YSVLISHTSA-N 1 0 322.405 2.557 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000451585745 297839732 /nfs/dbraw/zinc/83/97/32/297839732.db2.gz DOMYGADFAKBINP-BNOWGMLFSA-N 1 0 306.362 2.977 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452181637 297942405 /nfs/dbraw/zinc/94/24/05/297942405.db2.gz BZKKAIFYXQCTHQ-SWLSCSKDSA-N 1 0 307.394 2.939 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000453115236 298063193 /nfs/dbraw/zinc/06/31/93/298063193.db2.gz WVHMBNKRVKMSLE-LSDHHAIUSA-N 1 0 306.362 2.651 20 5 DFBDRO CC(F)(F)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453220737 298072474 /nfs/dbraw/zinc/07/24/74/298072474.db2.gz ODUUKLZRSYWFEX-WDEREUQCSA-N 1 0 302.325 2.910 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1COC[C@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000453355652 298086392 /nfs/dbraw/zinc/08/63/92/298086392.db2.gz MMOMRJLBSQVROE-BZUAXINKSA-N 1 0 308.378 2.830 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1C ZINC000453636846 298107207 /nfs/dbraw/zinc/10/72/07/298107207.db2.gz ULSJVPDHRGIQHV-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO Cc1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000454157040 298128611 /nfs/dbraw/zinc/12/86/11/298128611.db2.gz YIBKDYJXTLMRLP-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455079784 298295734 /nfs/dbraw/zinc/29/57/34/298295734.db2.gz DFPMYFCCNMWCTI-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455182005 298314558 /nfs/dbraw/zinc/31/45/58/298314558.db2.gz JMBNRHBFVHVMEY-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000455321017 298338891 /nfs/dbraw/zinc/33/88/91/298338891.db2.gz BGKUESASSCNCDJ-LLVKDONJSA-N 1 0 324.356 2.682 20 5 DFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000495671668 299954955 /nfs/dbraw/zinc/95/49/55/299954955.db2.gz NJILAFVKPKXANN-LBPRGKRZSA-N 1 0 323.393 2.988 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccco1 ZINC000500059139 300205011 /nfs/dbraw/zinc/20/50/11/300205011.db2.gz HZWKGZUKDIEKRN-GFCCVEGCSA-N 1 0 317.345 2.737 20 5 DFBDRO CC[C@@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514734981 300269258 /nfs/dbraw/zinc/26/92/58/300269258.db2.gz RBKKGOHUNZKRIT-JTQLQIEISA-N 1 0 304.293 2.711 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000515564603 300313400 /nfs/dbraw/zinc/31/34/00/300313400.db2.gz BAVRTNSXQIKXCF-CYBMUJFWSA-N 1 0 322.409 2.514 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516575505 300349446 /nfs/dbraw/zinc/34/94/46/300349446.db2.gz TYGBHXDGZUMAQI-MLGOLLRUSA-N 1 0 317.389 2.646 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000519598503 300461891 /nfs/dbraw/zinc/46/18/91/300461891.db2.gz AGFJCJIFWDQPHB-STQMWFEESA-N 1 0 317.389 2.565 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000521621857 300532574 /nfs/dbraw/zinc/53/25/74/300532574.db2.gz HMKVVURFNNFUAV-OLZOCXBDSA-N 1 0 322.409 2.641 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000521621860 300532742 /nfs/dbraw/zinc/53/27/42/300532742.db2.gz HMKVVURFNNFUAV-QWHCGFSZSA-N 1 0 322.409 2.641 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cncn2C)cc1[N+](=O)[O-] ZINC000530407254 301046088 /nfs/dbraw/zinc/04/60/88/301046088.db2.gz IKWYNSRDDWJYOF-GFCCVEGCSA-N 1 0 318.377 2.620 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000530447296 301048257 /nfs/dbraw/zinc/04/82/57/301048257.db2.gz WOJHINMIPYFZIG-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000531104775 301079419 /nfs/dbraw/zinc/07/94/19/301079419.db2.gz ZSSPHANNHJWZGH-ZIAGYGMSSA-N 1 0 314.389 2.954 20 5 DFBDRO C[C@@H]1CCN(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983647 301123056 /nfs/dbraw/zinc/12/30/56/301123056.db2.gz KDQUUMRHZMRHOM-PBHICJAKSA-N 1 0 317.433 2.847 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000537952475 301314756 /nfs/dbraw/zinc/31/47/56/301314756.db2.gz HEQGBGYMEWGXJU-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538559671 301323497 /nfs/dbraw/zinc/32/34/97/301323497.db2.gz JZJMPXHQKXRGEC-LBPRGKRZSA-N 1 0 307.394 2.716 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000539445701 301342645 /nfs/dbraw/zinc/34/26/45/301342645.db2.gz CTNHIKYWOYXVCU-LEXSJLIMSA-N 1 0 324.384 2.854 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000539493786 301343268 /nfs/dbraw/zinc/34/32/68/301343268.db2.gz XOQFMHZSFNXMIQ-ZFWWWQNUSA-N 1 0 310.394 2.749 20 5 DFBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000540324811 301361530 /nfs/dbraw/zinc/36/15/30/301361530.db2.gz MZWVEIFXGAXTAP-ZDUSSCGKSA-N 1 0 318.377 2.929 20 5 DFBDRO C[C@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541533758 301388787 /nfs/dbraw/zinc/38/87/87/301388787.db2.gz BTXFUQUWDYRNQV-GJZGRUSLSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@H]1CCCC[C@@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541533762 301388818 /nfs/dbraw/zinc/38/88/18/301388818.db2.gz BTXFUQUWDYRNQV-LSDHHAIUSA-N 1 0 318.421 2.938 20 5 DFBDRO O=C(C[NH2+]C1(C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000543451696 301430540 /nfs/dbraw/zinc/43/05/40/301430540.db2.gz FKJWYOJHHSTLQV-UHFFFAOYSA-N 1 0 309.753 2.719 20 5 DFBDRO C[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000545986912 301486623 /nfs/dbraw/zinc/48/66/23/301486623.db2.gz QJDPGUPFDMPIGD-CQSZACIVSA-N 1 0 319.405 2.643 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000554375743 301733549 /nfs/dbraw/zinc/73/35/49/301733549.db2.gz WETVRYXKDSWYBP-NTZNESFSSA-N 1 0 309.341 2.792 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000556928604 301820038 /nfs/dbraw/zinc/82/00/38/301820038.db2.gz LVHKCKSGOLRXEM-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288415140 301849428 /nfs/dbraw/zinc/84/94/28/301849428.db2.gz NNRCADSQYDBNRR-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000560267900 301888385 /nfs/dbraw/zinc/88/83/85/301888385.db2.gz WQWASENAIIJPDD-ZENOOKHLSA-N 1 0 324.421 2.712 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)c2ccncc21 ZINC000562832526 302007338 /nfs/dbraw/zinc/00/73/38/302007338.db2.gz SDFIYXVCXHUYKF-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562838006 302008036 /nfs/dbraw/zinc/00/80/36/302008036.db2.gz YDJXLKWVBKDEOM-IRXDYDNUSA-N 1 0 319.405 2.580 20 5 DFBDRO CCn1nccc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000564123903 302120325 /nfs/dbraw/zinc/12/03/25/302120325.db2.gz LNOSBYGNXLEZCY-UHFFFAOYSA-N 1 0 313.361 2.625 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000564298107 302127153 /nfs/dbraw/zinc/12/71/53/302127153.db2.gz FIHQCTJSUDNVJC-NSHDSACASA-N 1 0 323.368 2.536 20 5 DFBDRO Cc1ccncc1CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000564297066 302127262 /nfs/dbraw/zinc/12/72/62/302127262.db2.gz KMFGBTHCQVTKHH-UHFFFAOYSA-N 1 0 315.373 2.899 20 5 DFBDRO Cc1nsc(C)c1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000564344137 302130510 /nfs/dbraw/zinc/13/05/10/302130510.db2.gz OHDDHGWJIBILBK-UHFFFAOYSA-N 1 0 304.375 2.621 20 5 DFBDRO C[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564723368 302153355 /nfs/dbraw/zinc/15/33/55/302153355.db2.gz NTKDKXLIXKQDKM-CYBMUJFWSA-N 1 0 319.405 2.546 20 5 DFBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564860148 302165573 /nfs/dbraw/zinc/16/55/73/302165573.db2.gz OCBPKVQGSOIPIX-HIFRSBDPSA-N 1 0 322.405 2.750 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000565139670 302197149 /nfs/dbraw/zinc/19/71/49/302197149.db2.gz YTWXVLXLUVDBTA-DDTOSNHZSA-N 1 0 309.341 2.792 20 5 DFBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@H]2CCO[C@H]21 ZINC000566474730 302290678 /nfs/dbraw/zinc/29/06/78/302290678.db2.gz INBGBDMHTGNRCD-RRCSTGOVSA-N 1 0 302.374 2.985 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[NH+](C3CCC3)CC1)CCCC2 ZINC000570678487 302586384 /nfs/dbraw/zinc/58/63/84/302586384.db2.gz UQFCJVHKWCNZOG-UHFFFAOYSA-N 1 0 316.405 2.543 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCOC1 ZINC000572201335 302648536 /nfs/dbraw/zinc/64/85/36/302648536.db2.gz BUWMSCQBGNAYDB-DGCLKSJQSA-N 1 0 303.362 2.633 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C2CC2)CC1 ZINC000574414866 302758170 /nfs/dbraw/zinc/75/81/70/302758170.db2.gz QQNRNZGTYXCAFO-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO CC(C)CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000181554714 316063430 /nfs/dbraw/zinc/06/34/30/316063430.db2.gz WMQDVEOUWROKQM-HNNXBMFYSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181928923 316078500 /nfs/dbraw/zinc/07/85/00/316078500.db2.gz XNMWKRJEHXQSKM-YOEHRIQHSA-N 1 0 322.405 2.847 20 5 DFBDRO CCC[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181997763 316081324 /nfs/dbraw/zinc/08/13/24/316081324.db2.gz VLCZNOZUGQMQKI-GJZGRUSLSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183155200 316131957 /nfs/dbraw/zinc/13/19/57/316131957.db2.gz NIHXUYKYKRSICK-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1nc(C(C)(C)C)cs1 ZINC000184467674 316167149 /nfs/dbraw/zinc/16/71/49/316167149.db2.gz PFDLFWQNVUSKFG-JTQLQIEISA-N 1 0 323.422 2.896 20 5 DFBDRO CC1CC[NH+](CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000316551387 316246244 /nfs/dbraw/zinc/24/62/44/316246244.db2.gz MMJVKEZUFZIRFU-UHFFFAOYSA-N 1 0 303.366 2.615 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000421869963 316778255 /nfs/dbraw/zinc/77/82/55/316778255.db2.gz FFILCWFYQSHMOC-UONOGXRCSA-N 1 0 319.405 2.812 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)c1 ZINC000449546015 317040196 /nfs/dbraw/zinc/04/01/96/317040196.db2.gz ZQUXPEPIGCKCRK-WBVHZDCISA-N 1 0 313.357 3.000 20 5 DFBDRO CC(C)(C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000449643186 317046512 /nfs/dbraw/zinc/04/65/12/317046512.db2.gz HQMFIVLARMYVIP-TZMCWYRMSA-N 1 0 319.405 2.506 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1(C[NH3+])CCC1 ZINC000449671846 317050735 /nfs/dbraw/zinc/05/07/35/317050735.db2.gz UEJDZGDTTOSTIL-UHFFFAOYSA-N 1 0 319.386 2.763 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2COC)ccc1[N+](=O)[O-] ZINC000452036361 317120159 /nfs/dbraw/zinc/12/01/59/317120159.db2.gz IUIFSBAHBSJXGW-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000452036698 317120207 /nfs/dbraw/zinc/12/02/07/317120207.db2.gz RZDXWPHIFIBXIM-UKRRQHHQSA-N 1 0 308.378 2.911 20 5 DFBDRO COC[C@@](C)(O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453248502 317172327 /nfs/dbraw/zinc/17/23/27/317172327.db2.gz FNJMPJSDNXIZJN-WBVHZDCISA-N 1 0 322.405 2.694 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453265487 317172949 /nfs/dbraw/zinc/17/29/49/317172949.db2.gz JUMNVGOZDUKYMG-AJNGGQMLSA-N 1 0 324.425 2.926 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000453278402 317175571 /nfs/dbraw/zinc/17/55/71/317175571.db2.gz CUYNYHHQZSRQNY-GFCCVEGCSA-N 1 0 306.362 2.991 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049560 317363058 /nfs/dbraw/zinc/36/30/58/317363058.db2.gz MMXNOGYPPXNEIR-DZGCQCFKSA-N 1 0 319.405 2.955 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049563 317363264 /nfs/dbraw/zinc/36/32/64/317363264.db2.gz MMXNOGYPPXNEIR-ZFWWWQNUSA-N 1 0 319.405 2.955 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])[C@@H](C)C1 ZINC000488074909 317364826 /nfs/dbraw/zinc/36/48/26/317364826.db2.gz JVQWRBPTBPNFCZ-WFASDCNBSA-N 1 0 314.389 2.706 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488133157 317369359 /nfs/dbraw/zinc/36/93/59/317369359.db2.gz ZBYREDDGMGLEPA-CHWSQXEVSA-N 1 0 314.389 2.850 20 5 DFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000542911380 317823001 /nfs/dbraw/zinc/82/30/01/317823001.db2.gz CJCVVGMFIHWDDL-KRWDZBQOSA-N 1 0 300.358 2.769 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000567179542 317956514 /nfs/dbraw/zinc/95/65/14/317956514.db2.gz JXDISMIOVYDSSJ-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000570886108 317970659 /nfs/dbraw/zinc/97/06/59/317970659.db2.gz XMYSUMJEWFTBPX-AWEZNQCLSA-N 1 0 321.421 2.889 20 5 DFBDRO CC(C)(C)N1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1=O ZINC000575059044 318060250 /nfs/dbraw/zinc/06/02/50/318060250.db2.gz CXKLOCPUWRNPKD-IQCBXXCUSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000575748317 318080721 /nfs/dbraw/zinc/08/07/21/318080721.db2.gz BMXJRMQMRIEBFP-SFHVURJKSA-N 1 0 311.385 2.961 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cccc3nccn31)C2 ZINC000577214897 318178596 /nfs/dbraw/zinc/17/85/96/318178596.db2.gz BCXWQQBSYATXMZ-UHFFFAOYSA-N 1 0 308.341 2.801 20 5 DFBDRO CN(CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000577962925 318229257 /nfs/dbraw/zinc/22/92/57/318229257.db2.gz JSCXWJPVFJNOOS-GFCCVEGCSA-N 1 0 317.311 2.666 20 5 DFBDRO CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000578859718 318290737 /nfs/dbraw/zinc/29/07/37/318290737.db2.gz IDVWDPQCVYIBHD-OAHLLOKOSA-N 1 0 322.405 2.895 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnn(CCC3CC[NH2+]CC3)c2)c1 ZINC000578879883 318292166 /nfs/dbraw/zinc/29/21/66/318292166.db2.gz RODAZXCWAQRYIQ-UHFFFAOYSA-N 1 0 300.362 2.848 20 5 DFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])cn2C)ccc1C[NH+](C)C ZINC000579923621 318362940 /nfs/dbraw/zinc/36/29/40/318362940.db2.gz UNFWHPYSAUGVNI-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO CC(C)C[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)C ZINC000192850384 323248649 /nfs/dbraw/zinc/24/86/49/323248649.db2.gz QJIZKBDZJKXPOU-OAHLLOKOSA-N 1 0 310.394 2.701 20 5 DFBDRO CC[NH+]1CCC(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000390489426 323341691 /nfs/dbraw/zinc/34/16/91/323341691.db2.gz LJOMWYKOGYPQQB-UHFFFAOYSA-N 1 0 321.406 2.743 20 5 DFBDRO Cc1cc(N2CC[C@H]3[NH2+]CC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000580534025 323399258 /nfs/dbraw/zinc/39/92/58/323399258.db2.gz KKQIMZWUDXVOAC-GXTWGEPZSA-N 1 0 312.373 2.640 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](O)C(F)F ZINC000583066662 323787711 /nfs/dbraw/zinc/78/77/11/323787711.db2.gz KSULLHLOPVTNBT-ICCXJUOJSA-N 1 0 302.321 2.958 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000584253826 332014215 /nfs/dbraw/zinc/01/42/15/332014215.db2.gz QMXQQPQXWRSUEL-LBPRGKRZSA-N 1 0 323.393 2.914 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c([N+](=O)[O-])cc1F ZINC000292673146 533819697 /nfs/dbraw/zinc/81/96/97/533819697.db2.gz JFHLAGVESDHDBZ-OAHLLOKOSA-N 1 0 324.352 2.622 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296759435 533820785 /nfs/dbraw/zinc/82/07/85/533820785.db2.gz QJDQYYIKSVRVIQ-LBPRGKRZSA-N 1 0 307.394 2.798 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1 ZINC000296812163 533977056 /nfs/dbraw/zinc/97/70/56/533977056.db2.gz UYZQGDDDDWZMNU-RYUDHWBXSA-N 1 0 305.378 2.693 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC2CC[NH+](C)CC2)c1 ZINC000302121417 534244548 /nfs/dbraw/zinc/24/45/48/534244548.db2.gz YABXRNVEQJQOTC-UHFFFAOYSA-N 1 0 321.377 2.525 20 5 DFBDRO Cc1nc(N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296689983 534497857 /nfs/dbraw/zinc/49/78/57/534497857.db2.gz CRXUMOQFGYUPNR-IUODEOHRSA-N 1 0 315.377 2.797 20 5 DFBDRO CCOc1cc(CN2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000365195178 520700877 /nfs/dbraw/zinc/70/08/77/520700877.db2.gz ZQKUJFWSJZNVMP-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO CC(C)(C)OC(=O)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255503748 534745155 /nfs/dbraw/zinc/74/51/55/534745155.db2.gz QHCOQTMJQROJIE-VURMDHGXSA-N 1 0 306.362 2.929 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000363811118 525204820 /nfs/dbraw/zinc/20/48/20/525204820.db2.gz CIKDGUCNYFHJEJ-UONOGXRCSA-N 1 0 318.377 2.652 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000294740080 534849781 /nfs/dbraw/zinc/84/97/81/534849781.db2.gz CEXOGIVJSFXSAD-GFCCVEGCSA-N 1 0 317.345 2.603 20 5 DFBDRO C[C@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000158261193 525540928 /nfs/dbraw/zinc/54/09/28/525540928.db2.gz XDGTZRFPIYEYPF-XJKSGUPXSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@H]1[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC12CCOCC2 ZINC000368814311 525544774 /nfs/dbraw/zinc/54/47/74/525544774.db2.gz QLLROVONTPOYJL-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000358311073 534906446 /nfs/dbraw/zinc/90/64/46/534906446.db2.gz KFPHGTZTDPQPLR-AWEZNQCLSA-N 1 0 320.393 2.899 20 5 DFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470412 536466606 /nfs/dbraw/zinc/46/66/06/536466606.db2.gz SGAQGIJAHATKHM-CYBMUJFWSA-N 1 0 305.378 2.704 20 5 DFBDRO CC(C)(CCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000293636795 527013132 /nfs/dbraw/zinc/01/31/32/527013132.db2.gz JJACVASKHNMDKH-UHFFFAOYSA-N 1 0 305.334 2.588 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292782282 527217928 /nfs/dbraw/zinc/21/79/28/527217928.db2.gz LVKMSIZDRITMOC-QGZVFWFLSA-N 1 0 317.389 2.720 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000128383292 527319779 /nfs/dbraw/zinc/31/97/79/527319779.db2.gz IRLIXBSZORJYIT-DRDHIDPGSA-N 1 0 312.373 2.831 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000365079972 527390619 /nfs/dbraw/zinc/39/06/19/527390619.db2.gz GCGGXZVJFHRRNH-HNNXBMFYSA-N 1 0 316.361 2.507 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(c3ccc(F)cc3)CC2)n1 ZINC000365933617 527406887 /nfs/dbraw/zinc/40/68/87/527406887.db2.gz HDHOLMGTNOFTNY-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649835 527456335 /nfs/dbraw/zinc/45/63/35/527456335.db2.gz PSUUXTNEEALTDE-GFCCVEGCSA-N 1 0 318.352 2.847 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000330938389 527825476 /nfs/dbraw/zinc/82/54/76/527825476.db2.gz BRDWTOXQMAUUBZ-WFASDCNBSA-N 1 0 320.393 2.931 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000301638703 528259907 /nfs/dbraw/zinc/25/99/07/528259907.db2.gz MKWQKTMZQOATPR-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO CCOc1cccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000293008013 528661706 /nfs/dbraw/zinc/66/17/06/528661706.db2.gz HZWXVZMNLFVPCV-AWEZNQCLSA-N 1 0 319.405 2.916 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000315030475 528832549 /nfs/dbraw/zinc/83/25/49/528832549.db2.gz WIOFDSWQUOZGCS-JTQLQIEISA-N 1 0 313.785 2.707 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2F)CC1 ZINC000296737955 529031220 /nfs/dbraw/zinc/03/12/20/529031220.db2.gz MZUYRSOZENOTPD-UHFFFAOYSA-N 1 0 324.356 2.602 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000361417031 535021674 /nfs/dbraw/zinc/02/16/74/535021674.db2.gz VRMUGHQLDLTKNR-OAHLLOKOSA-N 1 0 308.378 2.727 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362604466 535093727 /nfs/dbraw/zinc/09/37/27/535093727.db2.gz UBATZMKYAKVZGS-XJKSGUPXSA-N 1 0 319.405 2.530 20 5 DFBDRO CCC(C)(C)[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355290389 535355567 /nfs/dbraw/zinc/35/55/67/535355567.db2.gz LEUNUCSVSXKGSY-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CC[NH+](CC)CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000233436688 535542839 /nfs/dbraw/zinc/54/28/39/535542839.db2.gz VWESLRDUMYMSLN-UHFFFAOYSA-N 1 0 306.288 2.762 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358045218 535804442 /nfs/dbraw/zinc/80/44/42/535804442.db2.gz YSYBGBHOCFUIGU-OAHLLOKOSA-N 1 0 315.377 2.805 20 5 DFBDRO CCc1nn(C)c(NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000262300975 536181148 /nfs/dbraw/zinc/18/11/48/536181148.db2.gz OONRZZCONGRTIR-UHFFFAOYSA-N 1 0 309.414 2.615 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820438297 599394533 /nfs/dbraw/zinc/39/45/33/599394533.db2.gz MIOIZYUSXSDMKJ-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000278379460 214127321 /nfs/dbraw/zinc/12/73/21/214127321.db2.gz LNDRBDWGXKXKQP-NWDGAFQWSA-N 1 0 304.394 2.848 20 5 DFBDRO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000051058562 425882333 /nfs/dbraw/zinc/88/23/33/425882333.db2.gz OGQYUPBBLFHGFG-HNNXBMFYSA-N 1 0 319.405 2.723 20 5 DFBDRO C[C@@H](CCC[NH3+])Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000310343056 231112461 /nfs/dbraw/zinc/11/24/61/231112461.db2.gz NDSFUUWWMRVHFP-QMMMGPOBSA-N 1 0 302.172 2.897 20 5 DFBDRO Cc1c(C[NH2+][C@H](Cn2cccn2)C(C)C)cccc1[N+](=O)[O-] ZINC000318987349 231177940 /nfs/dbraw/zinc/17/79/40/231177940.db2.gz JTTQTFFFURETBB-OAHLLOKOSA-N 1 0 302.378 2.914 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000413134190 295679062 /nfs/dbraw/zinc/67/90/62/295679062.db2.gz LCDQXASZLPNKPV-GFCCVEGCSA-N 1 0 308.357 2.584 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000596167633 398346277 /nfs/dbraw/zinc/34/62/77/398346277.db2.gz FPAIDCYWVKILOK-JQWIXIFHSA-N 1 0 310.785 2.564 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H](Oc2ccncc2)C1 ZINC000596214082 398358507 /nfs/dbraw/zinc/35/85/07/398358507.db2.gz DEFGAINEXDLMLH-LLVKDONJSA-N 1 0 320.736 2.696 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1([NH3+])CCC1 ZINC000236796310 398364188 /nfs/dbraw/zinc/36/41/88/398364188.db2.gz TVIGYYSBLHXCAX-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000066203125 398362524 /nfs/dbraw/zinc/36/25/24/398362524.db2.gz MYVOYRNMFQKFLO-LLVKDONJSA-N 1 0 308.382 2.755 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1c(Cl)cncc1[N+](=O)[O-] ZINC000596230842 398363071 /nfs/dbraw/zinc/36/30/71/398363071.db2.gz CLCOJPBUPNWDFS-GHMZBOCLSA-N 1 0 310.785 2.706 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000413176337 295683206 /nfs/dbraw/zinc/68/32/06/295683206.db2.gz ROEUVMZHCFFINN-OAHLLOKOSA-N 1 0 310.357 2.594 20 5 DFBDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000008351034 398371994 /nfs/dbraw/zinc/37/19/94/398371994.db2.gz HEQNPXABHVCMSE-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CCC[C@H]3CCOC3)CC2)c1 ZINC000592060154 398378197 /nfs/dbraw/zinc/37/81/97/398378197.db2.gz AHZPTGIDGWUFTK-HNNXBMFYSA-N 1 0 319.405 2.534 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000596308384 398381554 /nfs/dbraw/zinc/38/15/54/398381554.db2.gz RJHNCNXYASGVDR-LBPRGKRZSA-N 1 0 309.414 2.652 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000596309357 398382489 /nfs/dbraw/zinc/38/24/89/398382489.db2.gz ZKJKPGREINTMRP-SECBINFHSA-N 1 0 309.395 2.589 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000596306854 398381887 /nfs/dbraw/zinc/38/18/87/398381887.db2.gz IUOVRCLNWPENTR-GFCCVEGCSA-N 1 0 321.377 2.666 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278205144 214022357 /nfs/dbraw/zinc/02/23/57/214022357.db2.gz FIAOXDAXHPGFJE-SECBINFHSA-N 1 0 318.299 2.903 20 5 DFBDRO CC[C@@H](CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000166745244 197697401 /nfs/dbraw/zinc/69/74/01/197697401.db2.gz BUUOEOGDKLSUPP-BBRMVZONSA-N 1 0 306.406 2.914 20 5 DFBDRO CSc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538717 185301559 /nfs/dbraw/zinc/30/15/59/185301559.db2.gz JGGIVWVOPMWTEO-NSHDSACASA-N 1 0 306.391 2.864 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000245885219 398388698 /nfs/dbraw/zinc/38/86/98/398388698.db2.gz OQDRUNDEJFACMM-CXUGXGMPSA-N 1 0 322.405 2.749 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(n2cncn2)CC1 ZINC000092647667 185331392 /nfs/dbraw/zinc/33/13/92/185331392.db2.gz MWPQZWVACCDAFF-HWKANZROSA-N 1 0 313.361 2.537 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)CCC(C)(C)C ZINC000592145373 398391693 /nfs/dbraw/zinc/39/16/93/398391693.db2.gz WQQAYFULUXSSHB-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CCc1nn(C)c(NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000301347443 529767666 /nfs/dbraw/zinc/76/76/66/529767666.db2.gz IONRPIFXTOBKQQ-WBMJQRKESA-N 1 0 323.441 2.813 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592247949 398407741 /nfs/dbraw/zinc/40/77/41/398407741.db2.gz QJBGQPWQAAUETK-DOMZBBRYSA-N 1 0 317.389 2.542 20 5 DFBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000596428649 398410065 /nfs/dbraw/zinc/41/00/65/398410065.db2.gz GBPLIOOUHDECFG-MRVPVSSYSA-N 1 0 317.187 2.504 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181647791 199331889 /nfs/dbraw/zinc/33/18/89/199331889.db2.gz NCDXBXKTHRPXQR-QGZVFWFLSA-N 1 0 316.357 2.951 20 5 DFBDRO Cc1cc(N(C)CCn2cccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272784483 210186535 /nfs/dbraw/zinc/18/65/35/210186535.db2.gz BAMZIEDUGBSXDJ-UHFFFAOYSA-N 1 0 311.345 2.784 20 5 DFBDRO C[C@@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000596453385 398416469 /nfs/dbraw/zinc/41/64/69/398416469.db2.gz KTNHPYQFKLAOBI-VIFPVBQESA-N 1 0 314.773 2.710 20 5 DFBDRO CSc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356680 398414695 /nfs/dbraw/zinc/41/46/95/398414695.db2.gz DUQFFOLMTZFZLD-SECBINFHSA-N 1 0 306.347 2.791 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356711 398415024 /nfs/dbraw/zinc/41/50/24/398415024.db2.gz GAHDSJUPOBQOAN-SNVBAGLBSA-N 1 0 306.347 2.791 20 5 DFBDRO CSc1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1[N+](=O)[O-] ZINC000592357085 398415662 /nfs/dbraw/zinc/41/56/62/398415662.db2.gz STYBPCFNVFMVBO-SECBINFHSA-N 1 0 306.347 2.791 20 5 DFBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])cn1 ZINC000413463383 295710750 /nfs/dbraw/zinc/71/07/50/295710750.db2.gz YIEFVKWTILVXDE-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000592375513 398417882 /nfs/dbraw/zinc/41/78/82/398417882.db2.gz SMZBKFZFHBIVQA-TXEJJXNPSA-N 1 0 324.377 2.745 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592432438 398425236 /nfs/dbraw/zinc/42/52/36/398425236.db2.gz JBMWXPOSCYBQNO-HOCLYGCPSA-N 1 0 303.406 2.902 20 5 DFBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H]1CC[NH2+]C1 ZINC000592427538 398425531 /nfs/dbraw/zinc/42/55/31/398425531.db2.gz ANHLHXNQVQHMRP-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO CC(C)C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])[NH+](C)C ZINC000023887586 398427248 /nfs/dbraw/zinc/42/72/48/398427248.db2.gz XTGVHROFMGDEFP-SNVBAGLBSA-N 1 0 311.411 2.692 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596476464 398423233 /nfs/dbraw/zinc/42/32/33/398423233.db2.gz RHVBBUBDOBDGTG-CYBMUJFWSA-N 1 0 320.393 2.837 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000592515446 398438832 /nfs/dbraw/zinc/43/88/32/398438832.db2.gz FUCOZDQMWMJDNQ-AABDMYLDSA-N 1 0 318.373 2.739 20 5 DFBDRO CC(C)C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000024679811 398433020 /nfs/dbraw/zinc/43/30/20/398433020.db2.gz JMVXHYMJJIRJEZ-AWEZNQCLSA-N 1 0 308.382 2.693 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000592494915 398433560 /nfs/dbraw/zinc/43/35/60/398433560.db2.gz FCVXZWKMABBHGN-QGZVFWFLSA-N 1 0 315.348 2.792 20 5 DFBDRO Cc1cc(N[C@H]2C[C@@H](O)C23CCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596512706 398435182 /nfs/dbraw/zinc/43/51/82/398435182.db2.gz SBCIEFHAUNEMHN-JKSUJKDBSA-N 1 0 313.357 2.589 20 5 DFBDRO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)c1nccn1C ZINC000596541367 398442818 /nfs/dbraw/zinc/44/28/18/398442818.db2.gz FOSVANXLDTWYBT-SNVBAGLBSA-N 1 0 301.350 2.775 20 5 DFBDRO Cc1cc(F)c(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000459433977 299105193 /nfs/dbraw/zinc/10/51/93/299105193.db2.gz CDZARCDVVCGLPB-UHFFFAOYSA-N 1 0 312.732 2.682 20 5 DFBDRO NC(=O)C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000585789446 398446831 /nfs/dbraw/zinc/44/68/31/398446831.db2.gz KXCMXRCXJLBDPT-BTKRWWFXSA-N 1 0 317.389 2.586 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592570753 398445706 /nfs/dbraw/zinc/44/57/06/398445706.db2.gz QGINZPHNDQQJTM-OAHLLOKOSA-N 1 0 317.389 2.562 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796073 398447331 /nfs/dbraw/zinc/44/73/31/398447331.db2.gz IUGFCDXLZBLWGN-QWHCGFSZSA-N 1 0 305.378 2.633 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796071 398447515 /nfs/dbraw/zinc/44/75/15/398447515.db2.gz IUGFCDXLZBLWGN-CHWSQXEVSA-N 1 0 305.378 2.633 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000271162176 398448194 /nfs/dbraw/zinc/44/81/94/398448194.db2.gz SDQPJUKQBKKKCD-OPQSFPLASA-N 1 0 306.362 2.964 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000271162178 398448219 /nfs/dbraw/zinc/44/82/19/398448219.db2.gz SDQPJUKQBKKKCD-ZGFBFQLVSA-N 1 0 306.362 2.964 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596570715 398449780 /nfs/dbraw/zinc/44/97/80/398449780.db2.gz NAOVZOZOBGOLKY-GFCCVEGCSA-N 1 0 308.357 2.663 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(c3nccs3)CC2)cc1 ZINC000089513459 398456779 /nfs/dbraw/zinc/45/67/79/398456779.db2.gz AMXKOBSGGRVWMY-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000089603394 398459670 /nfs/dbraw/zinc/45/96/70/398459670.db2.gz VDDSAEJQDMQZIB-CQSZACIVSA-N 1 0 305.378 2.568 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000027743291 398466551 /nfs/dbraw/zinc/46/65/51/398466551.db2.gz WWXMHNBRGPYVSN-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@H]3CCCO3)CC2)c1 ZINC000083411535 192369348 /nfs/dbraw/zinc/36/93/48/192369348.db2.gz JRWZXLRSMQOHTA-QGZVFWFLSA-N 1 0 320.389 2.755 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000181731768 199345266 /nfs/dbraw/zinc/34/52/66/199345266.db2.gz AFAFFNAJNUYIJK-SECBINFHSA-N 1 0 312.732 2.935 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000068133665 398481170 /nfs/dbraw/zinc/48/11/70/398481170.db2.gz NLSSKNDWQBJXES-INIZCTEOSA-N 1 0 317.389 2.685 20 5 DFBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000111253528 185565518 /nfs/dbraw/zinc/56/55/18/185565518.db2.gz KTFWSJHAIPYXHN-NSHDSACASA-N 1 0 309.366 2.520 20 5 DFBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000090650967 398490855 /nfs/dbraw/zinc/49/08/55/398490855.db2.gz IPPNGSDAOMHMRD-ZDUSSCGKSA-N 1 0 308.378 2.749 20 5 DFBDRO CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030142108 398495647 /nfs/dbraw/zinc/49/56/47/398495647.db2.gz KVDQWFHZSMIVAK-CYBMUJFWSA-N 1 0 305.378 2.964 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CNC(C)(C)C[NH+](C)C ZINC000459544354 299129841 /nfs/dbraw/zinc/12/98/41/299129841.db2.gz DLGLSDLYJKPMTA-UHFFFAOYSA-N 1 0 309.410 2.812 20 5 DFBDRO C[C@@H](CCCCO)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588959283 398519361 /nfs/dbraw/zinc/51/93/61/398519361.db2.gz VAZAQLYGAZKYJX-LBPRGKRZSA-N 1 0 305.378 2.759 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000068722851 398522586 /nfs/dbraw/zinc/52/25/86/398522586.db2.gz CIVKZAWXGIFOGE-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000593035377 398525862 /nfs/dbraw/zinc/52/58/62/398525862.db2.gz OXZMVCJZHODGIG-ZLKJLUDKSA-N 1 0 304.346 2.660 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000593033382 398526581 /nfs/dbraw/zinc/52/65/81/398526581.db2.gz OXZMVCJZHODGIG-DDTOSNHZSA-N 1 0 304.346 2.660 20 5 DFBDRO COC[C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)OC ZINC000272652407 210056821 /nfs/dbraw/zinc/05/68/21/210056821.db2.gz FRQCMWGHWRRGEJ-HNNXBMFYSA-N 1 0 320.345 2.606 20 5 DFBDRO CC1(C)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000279687351 215063129 /nfs/dbraw/zinc/06/31/29/215063129.db2.gz HGHORUPETHPFML-CQSZACIVSA-N 1 0 310.419 2.846 20 5 DFBDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593046974 398529719 /nfs/dbraw/zinc/52/97/19/398529719.db2.gz VLDFACWDFFZABP-MRXNPFEDSA-N 1 0 318.352 2.594 20 5 DFBDRO C[C@]1(c2cccc(F)c2)CC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000593046973 398529776 /nfs/dbraw/zinc/52/97/76/398529776.db2.gz VLDFACWDFFZABP-INIZCTEOSA-N 1 0 318.352 2.594 20 5 DFBDRO CC(C)O[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000593055799 398532535 /nfs/dbraw/zinc/53/25/35/398532535.db2.gz QEMSGXQFHAVCBB-AWEZNQCLSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000286902511 219218087 /nfs/dbraw/zinc/21/80/87/219218087.db2.gz CMMQIGPYJMGDRJ-CZUORRHYSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnccn1 ZINC000272629729 210033053 /nfs/dbraw/zinc/03/30/53/210033053.db2.gz MYSQHLIXHSVCOW-SNVBAGLBSA-N 1 0 306.753 2.932 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCCCC1)C1CC1 ZINC000128219371 282972236 /nfs/dbraw/zinc/97/22/36/282972236.db2.gz UYXYGGUZTZAYKQ-QGZVFWFLSA-N 1 0 317.433 2.991 20 5 DFBDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593080939 398539695 /nfs/dbraw/zinc/53/96/95/398539695.db2.gz MYEHUSNVFHNLSK-LLVKDONJSA-N 1 0 303.362 2.844 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1(C2CCC2)CC1 ZINC000593080272 398539838 /nfs/dbraw/zinc/53/98/38/398539838.db2.gz KWNWQYNDMOUPDM-UHFFFAOYSA-N 1 0 303.362 2.764 20 5 DFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069067078 398545670 /nfs/dbraw/zinc/54/56/70/398545670.db2.gz RLKDJYOVAHCRMO-OCCSQVGLSA-N 1 0 320.345 2.621 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000077542537 282579957 /nfs/dbraw/zinc/57/99/57/282579957.db2.gz WRZYDQPODFJXFK-UHFFFAOYSA-N 1 0 319.405 2.931 20 5 DFBDRO COc1ccccc1OCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000321366533 398552894 /nfs/dbraw/zinc/55/28/94/398552894.db2.gz DMFAKCDVFLDHCC-UHFFFAOYSA-N 1 0 316.357 2.815 20 5 DFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776429 215135601 /nfs/dbraw/zinc/13/56/01/215135601.db2.gz NIWNRPOWBHNBGD-UONOGXRCSA-N 1 0 308.378 2.599 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSCC[C@H]2C)c1 ZINC000589512963 398558343 /nfs/dbraw/zinc/55/83/43/398558343.db2.gz UIZMBUIJJLSACG-LLVKDONJSA-N 1 0 324.402 2.709 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCSCC[C@@H]2C)c1 ZINC000589512966 398558422 /nfs/dbraw/zinc/55/84/22/398558422.db2.gz UIZMBUIJJLSACG-NSHDSACASA-N 1 0 324.402 2.709 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1ccc([N+](=O)[O-])c3cnccc31)C2 ZINC000323771709 398561327 /nfs/dbraw/zinc/56/13/27/398561327.db2.gz XWTCMVLORZNGOR-SJCJKPOMSA-N 1 0 312.373 2.708 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597075710 398560901 /nfs/dbraw/zinc/56/09/01/398560901.db2.gz KOECNLGZLKSAHH-UKRRQHHQSA-N 1 0 310.781 2.948 20 5 DFBDRO 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 398567358 /nfs/dbraw/zinc/56/73/58/398567358.db2.gz JPTXTZBYFOQJTA-ZOBORPQBSA-N 1 0 319.405 2.638 20 5 DFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@]1(C)C[NH3+] ZINC000593228982 398576161 /nfs/dbraw/zinc/57/61/61/398576161.db2.gz CSPCXJRITVKMAF-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593233777 398576839 /nfs/dbraw/zinc/57/68/39/398576839.db2.gz XRCHWYBZOIKUOD-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)C[C@H]21 ZINC000593229661 398576226 /nfs/dbraw/zinc/57/62/26/398576226.db2.gz PKVSKBLLNBQSTJ-NILFDRSVSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000593234398 398577312 /nfs/dbraw/zinc/57/73/12/398577312.db2.gz XLJNIOPPKQUIBF-DZKIICNBSA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC000092471192 398578856 /nfs/dbraw/zinc/57/88/56/398578856.db2.gz DIJOEEVPPBQDHP-GFCCVEGCSA-N 1 0 300.362 2.837 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000092532205 398584178 /nfs/dbraw/zinc/58/41/78/398584178.db2.gz DBSUADLBTREQIA-UHFFFAOYSA-N 1 0 306.362 2.821 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000092609698 398587389 /nfs/dbraw/zinc/58/73/89/398587389.db2.gz JDYHMKOWICILTI-TZMCWYRMSA-N 1 0 309.341 2.781 20 5 DFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000597196011 398587785 /nfs/dbraw/zinc/58/77/85/398587785.db2.gz PMZDXTIHBMOVBA-VWEWPCDYSA-N 1 0 302.374 2.966 20 5 DFBDRO CCOc1cc(N[C@H]2CC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000092652076 398590440 /nfs/dbraw/zinc/59/04/40/398590440.db2.gz KQSZKLXMAWWEKZ-AWEZNQCLSA-N 1 0 305.378 2.890 20 5 DFBDRO CCOc1cc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000092668180 398591970 /nfs/dbraw/zinc/59/19/70/398591970.db2.gz XCIDACRVDKQXKY-JSGCOSHPSA-N 1 0 307.394 2.770 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000133650903 186003370 /nfs/dbraw/zinc/00/33/70/186003370.db2.gz MYIGUEADJWXJLQ-ZJUUUORDSA-N 1 0 323.780 2.603 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)c(F)c1 ZINC000593316350 398596511 /nfs/dbraw/zinc/59/65/11/398596511.db2.gz PJSYDRWHEIYNMX-ZDUSSCGKSA-N 1 0 301.321 2.860 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593317255 398596525 /nfs/dbraw/zinc/59/65/25/398596525.db2.gz TYXRGVQGVSXBIZ-CQSZACIVSA-N 1 0 313.357 2.730 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000597235586 398599748 /nfs/dbraw/zinc/59/97/48/398599748.db2.gz GKMTYIBHPVXKJU-GDBMZVCRSA-N 1 0 306.362 2.806 20 5 DFBDRO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133714904 186009126 /nfs/dbraw/zinc/00/91/26/186009126.db2.gz OKMJYQCPCDGNMT-JSGCOSHPSA-N 1 0 305.378 2.524 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000597234970 398600100 /nfs/dbraw/zinc/60/01/00/398600100.db2.gz BDDVJHSJHKMGQQ-GDBMZVCRSA-N 1 0 306.362 2.806 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000597242071 398603981 /nfs/dbraw/zinc/60/39/81/398603981.db2.gz UONQCTGTTQGHQC-RISCZKNCSA-N 1 0 312.391 2.868 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000072121185 191039728 /nfs/dbraw/zinc/03/97/28/191039728.db2.gz XBIABQZNQMOQCH-UHFFFAOYSA-N 1 0 320.393 2.981 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000072522045 398619281 /nfs/dbraw/zinc/61/92/81/398619281.db2.gz WOYMEGYRPALAIJ-CYBMUJFWSA-N 1 0 302.334 2.832 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150749985 186063316 /nfs/dbraw/zinc/06/33/16/186063316.db2.gz OTRUZOKMSUURPC-ZDUSSCGKSA-N 1 0 307.369 2.652 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c([N+](=O)[O-])cc1O ZINC000414582444 295806222 /nfs/dbraw/zinc/80/62/22/295806222.db2.gz KZXWVFDOTLRDLU-GHMZBOCLSA-N 1 0 304.302 2.548 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697580 398630609 /nfs/dbraw/zinc/63/06/09/398630609.db2.gz IYIUWXWDHTUKBH-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CO)CCSCC1 ZINC000459703848 299168705 /nfs/dbraw/zinc/16/87/05/299168705.db2.gz FERCOFXEVWOQCK-UHFFFAOYSA-N 1 0 316.810 2.596 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c2c(c1)COCO2 ZINC000152631270 186092079 /nfs/dbraw/zinc/09/20/79/186092079.db2.gz KLXXKDIOBQCBBI-VXGBXAGGSA-N 1 0 304.346 2.693 20 5 DFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590569161 398632563 /nfs/dbraw/zinc/63/25/63/398632563.db2.gz NMNIPDYRMZXUJG-FZMZJTMJSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000155775757 186111893 /nfs/dbraw/zinc/11/18/93/186111893.db2.gz QYBVIQLGWZGLIN-OAHLLOKOSA-N 1 0 305.378 2.541 20 5 DFBDRO CCOc1ccc([C@@H](C)NCC[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000152559250 186085106 /nfs/dbraw/zinc/08/51/06/186085106.db2.gz QQNFMNKLMUTNSX-CYBMUJFWSA-N 1 0 309.410 2.986 20 5 DFBDRO C[NH+]1CCC(CNc2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593461736 398635868 /nfs/dbraw/zinc/63/58/68/398635868.db2.gz ODRXQMRUAQKLQP-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593470109 398639090 /nfs/dbraw/zinc/63/90/90/398639090.db2.gz PSHYZJPFOZZWDX-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@@H]1C ZINC000179683522 186205017 /nfs/dbraw/zinc/20/50/17/186205017.db2.gz QWDUNKJEOMBGCC-NEPJUHHUSA-N 1 0 306.362 2.939 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000194290852 186277972 /nfs/dbraw/zinc/27/79/72/186277972.db2.gz FUJDXXZDUOYXKS-UHFFFAOYSA-N 1 0 305.378 2.588 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000072924812 398648462 /nfs/dbraw/zinc/64/84/62/398648462.db2.gz JSNQLJGWKHCETE-ZDUSSCGKSA-N 1 0 318.320 2.957 20 5 DFBDRO CC(=O)c1cc(N(C)CC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000593515679 398650287 /nfs/dbraw/zinc/65/02/87/398650287.db2.gz HKHKCXHWQDVQEG-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000279835638 186502448 /nfs/dbraw/zinc/50/24/48/186502448.db2.gz GDFJSOXFHBGGFQ-UHFFFAOYSA-N 1 0 324.768 2.632 20 5 DFBDRO CCc1nn(C)c(NCCCC[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000094136904 398654196 /nfs/dbraw/zinc/65/41/96/398654196.db2.gz QHWTVESHIIDXJT-UHFFFAOYSA-N 1 0 323.441 2.815 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280551125 186511770 /nfs/dbraw/zinc/51/17/70/186511770.db2.gz ASSAUBXDXUSFBV-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO CCc1nn(C)c(NCCCC[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000094136768 398654567 /nfs/dbraw/zinc/65/45/67/398654567.db2.gz GGKTUXOHOWCJGJ-ZDUSSCGKSA-N 1 0 323.441 2.815 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000277254823 213397219 /nfs/dbraw/zinc/39/72/19/213397219.db2.gz QMTQTCARBDJDQF-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C1CC1 ZINC000171680153 197965626 /nfs/dbraw/zinc/96/56/26/197965626.db2.gz SLUPNQJDZUMVJO-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO C[C@H]([NH3+])CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414827594 295823125 /nfs/dbraw/zinc/82/31/25/295823125.db2.gz YAMWTHKOYXFUFH-JTQLQIEISA-N 1 0 306.391 2.545 20 5 DFBDRO CC[C@H](C)C[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000171951246 198013984 /nfs/dbraw/zinc/01/39/84/198013984.db2.gz FYRAMAGNFGZMAL-NSHDSACASA-N 1 0 309.366 2.520 20 5 DFBDRO COc1ccc([C@H](CO)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000459758578 299183664 /nfs/dbraw/zinc/18/36/64/299183664.db2.gz SIQZYZVFHSVYOL-ZDUSSCGKSA-N 1 0 322.386 2.531 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756549 398667148 /nfs/dbraw/zinc/66/71/48/398667148.db2.gz ZOCNDYDXTQRGFY-CHWSQXEVSA-N 1 0 305.334 2.639 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459762474 299184676 /nfs/dbraw/zinc/18/46/76/299184676.db2.gz KHQOYZUVLGPHDP-GJZGRUSLSA-N 1 0 318.373 2.604 20 5 DFBDRO Cc1c(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000277186542 213353432 /nfs/dbraw/zinc/35/34/32/213353432.db2.gz UJJQSFPDAJEPDA-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H](CO)CCF)o2)c1 ZINC000593690152 398671188 /nfs/dbraw/zinc/67/11/88/398671188.db2.gz RXXNTKUXRCCQTL-LBPRGKRZSA-N 1 0 308.309 2.665 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H](CO)CCF ZINC000593687368 398671487 /nfs/dbraw/zinc/67/14/87/398671487.db2.gz SFLSKCWMYFSVLK-AEGPPILISA-N 1 0 310.369 2.616 20 5 DFBDRO CC[NH2+][C@H](C)CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414961880 295841590 /nfs/dbraw/zinc/84/15/90/295841590.db2.gz RWPZHNYGBPMIGM-GFCCVEGCSA-N 1 0 303.362 2.942 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593722817 398676807 /nfs/dbraw/zinc/67/68/07/398676807.db2.gz LUIGNLFZQVWKPU-SWLSCSKDSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1c(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cccc1[N+](=O)[O-] ZINC000172835646 198155895 /nfs/dbraw/zinc/15/58/95/198155895.db2.gz MZPQAGAORVEJAH-CQSZACIVSA-N 1 0 319.405 2.850 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCN2CCCC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000593723713 398676934 /nfs/dbraw/zinc/67/69/34/398676934.db2.gz QKLHVEPOYFHSOE-OAHLLOKOSA-N 1 0 317.389 2.529 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593722815 398676993 /nfs/dbraw/zinc/67/69/93/398676993.db2.gz LUIGNLFZQVWKPU-IUODEOHRSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000173418105 198212876 /nfs/dbraw/zinc/21/28/76/198212876.db2.gz DYFVZPRKWVIDEU-UHFFFAOYSA-N 1 0 307.375 2.955 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000072976744 191262043 /nfs/dbraw/zinc/26/20/43/191262043.db2.gz QNMUCSNSGVDYIW-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415060127 295853146 /nfs/dbraw/zinc/85/31/46/295853146.db2.gz XZKSRGCCWNCRNZ-MGEGMALFSA-N 1 0 323.396 2.953 20 5 DFBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+]1CCOCC1 ZINC000073666973 398693217 /nfs/dbraw/zinc/69/32/17/398693217.db2.gz VLMUIJGYOMGXCC-HNNXBMFYSA-N 1 0 322.409 2.539 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073708008 398695700 /nfs/dbraw/zinc/69/57/00/398695700.db2.gz WRZPGQKJXASDNH-UHFFFAOYSA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000590889219 398696730 /nfs/dbraw/zinc/69/67/30/398696730.db2.gz MXPFNHPOOIWQPD-ZDUSSCGKSA-N 1 0 319.405 2.689 20 5 DFBDRO CCc1ccc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593882943 398699961 /nfs/dbraw/zinc/69/99/61/398699961.db2.gz LTPHIYANCMGPMN-UHFFFAOYSA-N 1 0 319.405 2.715 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854789 398704560 /nfs/dbraw/zinc/70/45/60/398704560.db2.gz LOGPCOOPWVWJPX-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000593910412 398703117 /nfs/dbraw/zinc/70/31/17/398703117.db2.gz WFEBMOAONJLTRE-SWLSCSKDSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000597859325 398705782 /nfs/dbraw/zinc/70/57/82/398705782.db2.gz UONKGALSDGYRDO-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1sc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859323 398706104 /nfs/dbraw/zinc/70/61/04/398706104.db2.gz UNYXJBKJBRBWKM-SNVBAGLBSA-N 1 0 311.407 2.567 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000046444160 398707272 /nfs/dbraw/zinc/70/72/72/398707272.db2.gz XJCJHJWCANQLMW-ZFWWWQNUSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000174757193 198380808 /nfs/dbraw/zinc/38/08/08/198380808.db2.gz CZKUMEQPFKLYTK-OLZOCXBDSA-N 1 0 318.377 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415291191 295875753 /nfs/dbraw/zinc/87/57/53/295875753.db2.gz FSFMNJHZDKOWCD-ZWNOBZJWSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597924675 398721845 /nfs/dbraw/zinc/72/18/45/398721845.db2.gz JPKNWDBOVQXYHC-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000046953659 398727131 /nfs/dbraw/zinc/72/71/31/398727131.db2.gz GYMVGEVCNOEOST-STQMWFEESA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000415505900 295888655 /nfs/dbraw/zinc/88/86/55/295888655.db2.gz QZHXXKZCKVMDFK-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415506873 295888657 /nfs/dbraw/zinc/88/86/57/295888657.db2.gz SGKYFJYUWJTSJR-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(C(=O)OC)CCC1 ZINC000272330729 209721740 /nfs/dbraw/zinc/72/17/40/209721740.db2.gz KFUAUZVSOSGGRR-HNNXBMFYSA-N 1 0 320.389 2.849 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415578980 295891697 /nfs/dbraw/zinc/89/16/97/295891697.db2.gz JKZREGUETSMNQU-CYBMUJFWSA-N 1 0 318.377 2.570 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415578927 295891762 /nfs/dbraw/zinc/89/17/62/295891762.db2.gz JIHGXBZJGCXVKC-AWEZNQCLSA-N 1 0 320.393 2.721 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045059 398730435 /nfs/dbraw/zinc/73/04/35/398730435.db2.gz SNYSXJVJAGZBSO-ZFWWWQNUSA-N 1 0 308.378 2.911 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H](C[NH+]3CCCC3)C2)c(Cl)c1 ZINC000131678688 283094849 /nfs/dbraw/zinc/09/48/49/283094849.db2.gz BMYZQZTYTXICAL-NSHDSACASA-N 1 0 310.785 2.565 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000591301571 398746589 /nfs/dbraw/zinc/74/65/89/398746589.db2.gz FMLMUTSDMBMCGM-BETUJISGSA-N 1 0 318.377 2.570 20 5 DFBDRO CC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000591288602 398746264 /nfs/dbraw/zinc/74/62/64/398746264.db2.gz QNCQQNFEJOZZSS-CHWSQXEVSA-N 1 0 320.393 2.803 20 5 DFBDRO CC[C@@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000591288603 398746315 /nfs/dbraw/zinc/74/63/15/398746315.db2.gz QNCQQNFEJOZZSS-OLZOCXBDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000047634475 398755663 /nfs/dbraw/zinc/75/56/63/398755663.db2.gz IXCRFEXCIVXYJT-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1c1ccccc1 ZINC000591436366 398760328 /nfs/dbraw/zinc/76/03/28/398760328.db2.gz JHKRZJJSGADYCY-OLZOCXBDSA-N 1 0 303.387 2.835 20 5 DFBDRO CC[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000591437545 398761081 /nfs/dbraw/zinc/76/10/81/398761081.db2.gz KQSPPOMJSMARIR-ONGXEEELSA-N 1 0 315.320 2.760 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000591442239 398761526 /nfs/dbraw/zinc/76/15/26/398761526.db2.gz LJHJQGGXSXVHEL-VXGBXAGGSA-N 1 0 324.812 2.859 20 5 DFBDRO Cc1cc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000591446266 398762385 /nfs/dbraw/zinc/76/23/85/398762385.db2.gz YELZOGJCOJIAHT-NVXWUHKLSA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000591446223 398762411 /nfs/dbraw/zinc/76/24/11/398762411.db2.gz UTWTUYYQZQLVEK-PBHICJAKSA-N 1 0 319.405 2.626 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000080847860 192195466 /nfs/dbraw/zinc/19/54/66/192195466.db2.gz FQIHWJBKQFLDAL-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594201741 398765051 /nfs/dbraw/zinc/76/50/51/398765051.db2.gz QOLURUQUJMGYMC-ZBFHGGJFSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000081333763 192251891 /nfs/dbraw/zinc/25/18/91/192251891.db2.gz PDKSWUSLDVBZEI-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000081290418 192244876 /nfs/dbraw/zinc/24/48/76/192244876.db2.gz YHMBAGWWHVKKTA-AWEZNQCLSA-N 1 0 317.389 2.589 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000081363678 192257751 /nfs/dbraw/zinc/25/77/51/192257751.db2.gz YJYIFALCHYYBPJ-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000081361402 192257944 /nfs/dbraw/zinc/25/79/44/192257944.db2.gz TUJNPNLNLFNSKJ-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000591578043 398773189 /nfs/dbraw/zinc/77/31/89/398773189.db2.gz PAYLWBHBHNJPBI-JKSUJKDBSA-N 1 0 303.406 2.648 20 5 DFBDRO CCCN(C(=O)c1cccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC000236841498 202033824 /nfs/dbraw/zinc/03/38/24/202033824.db2.gz DCQHMKGWGXNSFE-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2cc[nH]n2)cs1 ZINC000591648110 398778660 /nfs/dbraw/zinc/77/86/60/398778660.db2.gz UTQFZVPEPVCXAQ-SMDDNHRTSA-N 1 0 322.390 2.637 20 5 DFBDRO CC(C)C(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000591762916 398785533 /nfs/dbraw/zinc/78/55/33/398785533.db2.gz GSEFSFBTHBFAKK-AWEZNQCLSA-N 1 0 324.421 2.852 20 5 DFBDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591757429 398784029 /nfs/dbraw/zinc/78/40/29/398784029.db2.gz AVDLODMWPDWSCH-STQMWFEESA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000591763542 398785609 /nfs/dbraw/zinc/78/56/09/398785609.db2.gz AEIFTUVPUUYPNK-AWEZNQCLSA-N 1 0 320.389 2.647 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000591769573 398786249 /nfs/dbraw/zinc/78/62/49/398786249.db2.gz YCZCFNRLADDPNZ-WFASDCNBSA-N 1 0 323.393 2.574 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000237023441 202125214 /nfs/dbraw/zinc/12/52/14/202125214.db2.gz LSZCZOITCBHZQB-GJZGRUSLSA-N 1 0 317.389 2.552 20 5 DFBDRO C[NH2+]C1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000237092989 202152176 /nfs/dbraw/zinc/15/21/76/202152176.db2.gz BOPWUDYXUGHIMP-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000594389902 398791385 /nfs/dbraw/zinc/79/13/85/398791385.db2.gz PWIPYDUJICRPEZ-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000276929254 213182771 /nfs/dbraw/zinc/18/27/71/213182771.db2.gz XMYBJHUIKZFKHQ-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCOc1cc(CN2CC[C@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897073 213160430 /nfs/dbraw/zinc/16/04/30/213160430.db2.gz LATOYOVPJHYUSV-OAHLLOKOSA-N 1 0 321.421 2.767 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CCOCC1)C1CC1 ZINC000178278823 198841485 /nfs/dbraw/zinc/84/14/85/198841485.db2.gz VCHLLVWEPXIJQL-MRXNPFEDSA-N 1 0 304.390 2.932 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075590046 398811819 /nfs/dbraw/zinc/81/18/19/398811819.db2.gz HLUBZYJUFROPLL-STQMWFEESA-N 1 0 306.362 2.931 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000594515419 398814053 /nfs/dbraw/zinc/81/40/53/398814053.db2.gz PZPUIEQQEVIYIY-GFCCVEGCSA-N 1 0 308.378 2.971 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000594519628 398815408 /nfs/dbraw/zinc/81/54/08/398815408.db2.gz RWRVDWHAFSXFTA-LBPRGKRZSA-N 1 0 308.378 2.971 20 5 DFBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594520249 398815592 /nfs/dbraw/zinc/81/55/92/398815592.db2.gz XZZRPWMXIJCEKA-VIFPVBQESA-N 1 0 300.380 2.724 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)c([N+](=O)[O-])cc1O ZINC000594519070 398815647 /nfs/dbraw/zinc/81/56/47/398815647.db2.gz SMZBKFZFHBIVQA-HAQNSBGRSA-N 1 0 324.377 2.745 20 5 DFBDRO CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075676076 398816900 /nfs/dbraw/zinc/81/69/00/398816900.db2.gz LEVGDNSESGEXSJ-GFCCVEGCSA-N 1 0 305.378 2.599 20 5 DFBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+]1CCCC1 ZINC000051654830 398824858 /nfs/dbraw/zinc/82/48/58/398824858.db2.gz CMWRHDKXYMMQKY-CQSZACIVSA-N 1 0 323.441 2.949 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594590775 398825665 /nfs/dbraw/zinc/82/56/65/398825665.db2.gz AZPYPTDVXULYIK-RWMBFGLXSA-N 1 0 323.393 2.513 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000594590776 398825751 /nfs/dbraw/zinc/82/57/51/398825751.db2.gz AZPYPTDVXULYIK-UPJWGTAASA-N 1 0 323.393 2.513 20 5 DFBDRO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000594592278 398825859 /nfs/dbraw/zinc/82/58/59/398825859.db2.gz PBDGOGNQPZIAEF-XBXGTLAGSA-N 1 0 314.389 2.625 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000594594008 398826350 /nfs/dbraw/zinc/82/63/50/398826350.db2.gz HQHKSYWIGWPJFQ-UHFFFAOYSA-N 1 0 306.410 2.917 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](CC2CC2)CC1 ZINC000052472663 398841131 /nfs/dbraw/zinc/84/11/31/398841131.db2.gz UORBKEZRKMYHFM-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO CN(CC(C)(C)[NH3+])c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000594692158 398843281 /nfs/dbraw/zinc/84/32/81/398843281.db2.gz MZRDQYXKXMOWRU-UHFFFAOYSA-N 1 0 318.352 2.969 20 5 DFBDRO C[C@H](CNc1nc2sccn2c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000052488797 398842116 /nfs/dbraw/zinc/84/21/16/398842116.db2.gz FVHSLQYVIXFKSS-LLVKDONJSA-N 1 0 323.422 2.838 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000594693811 398843975 /nfs/dbraw/zinc/84/39/75/398843975.db2.gz VLYGEUPZGBULRZ-LBPRGKRZSA-N 1 0 324.812 2.859 20 5 DFBDRO COc1ccc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000598648234 398847437 /nfs/dbraw/zinc/84/74/37/398847437.db2.gz PBHSGBIDZXJCAX-CYBMUJFWSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1cccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)c1 ZINC000594738124 398852970 /nfs/dbraw/zinc/85/29/70/398852970.db2.gz ABCAMRSPLONYFN-QGZVFWFLSA-N 1 0 313.357 2.868 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862991 398853078 /nfs/dbraw/zinc/85/30/78/398853078.db2.gz XSXLSWKTZBKVII-CQSZACIVSA-N 1 0 316.361 2.708 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000052862993 398853739 /nfs/dbraw/zinc/85/37/39/398853739.db2.gz IBSKHFQCAQEXBO-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(C)C1 ZINC000598677154 398853841 /nfs/dbraw/zinc/85/38/41/398853841.db2.gz LZHWNAPOAAQNDG-OTTFEQOBSA-N 1 0 305.378 2.948 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H](C)C[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000467786788 299274580 /nfs/dbraw/zinc/27/45/80/299274580.db2.gz JDCFCSBGTMGIJH-LBPRGKRZSA-N 1 0 323.393 2.914 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000076329573 398851693 /nfs/dbraw/zinc/85/16/93/398851693.db2.gz VPENWPQYKUJUPF-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CC2(F)F)n1 ZINC000598679377 398854200 /nfs/dbraw/zinc/85/42/00/398854200.db2.gz HSANOELTMUZADU-QJPTWQEYSA-N 1 0 314.336 2.910 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000152967162 283347339 /nfs/dbraw/zinc/34/73/39/283347339.db2.gz MVXVKKZXDTZMRJ-IUODEOHRSA-N 1 0 307.394 2.667 20 5 DFBDRO CCO[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407042 398855375 /nfs/dbraw/zinc/85/53/75/398855375.db2.gz FACDJOLCMBOQPT-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO Cc1c(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000237301207 202222870 /nfs/dbraw/zinc/22/28/70/202222870.db2.gz PKLWDWGYULTOTJ-AAEUAGOBSA-N 1 0 305.378 2.868 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180413160 199155833 /nfs/dbraw/zinc/15/58/33/199155833.db2.gz KANUFHMJCHRRSJ-ZDUSSCGKSA-N 1 0 319.405 2.942 20 5 DFBDRO COC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000153006410 283348891 /nfs/dbraw/zinc/34/88/91/283348891.db2.gz NFULHUUFCDZWIQ-LBPRGKRZSA-N 1 0 321.377 2.785 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)CC1CC1 ZINC000053183757 398864831 /nfs/dbraw/zinc/86/48/31/398864831.db2.gz CISTULZCALTYFO-VIFPVBQESA-N 1 0 311.769 2.917 20 5 DFBDRO Cc1nn(C)c(NCCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000076795432 398870072 /nfs/dbraw/zinc/87/00/72/398870072.db2.gz UZIDKQWHHLNLHR-GFCCVEGCSA-N 1 0 309.414 2.703 20 5 DFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000053580474 398878187 /nfs/dbraw/zinc/87/81/87/398878187.db2.gz YKSGBGYEHBBLJN-OCCSQVGLSA-N 1 0 315.377 2.576 20 5 DFBDRO COc1cc(C[NH2+]CCC2CC(OC)C2)c([N+](=O)[O-])cc1OC ZINC000594967632 398883255 /nfs/dbraw/zinc/88/32/55/398883255.db2.gz UKTXVYDUKWDUND-UHFFFAOYSA-N 1 0 324.377 2.517 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)O2)c([N+](=O)[O-])cc1OC ZINC000594985925 398887350 /nfs/dbraw/zinc/88/73/50/398887350.db2.gz PZEUQOQLZCDYAT-YPMHNXCESA-N 1 0 324.377 2.659 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000594979078 398885287 /nfs/dbraw/zinc/88/52/87/398885287.db2.gz HYKALXWBWWHVJE-KBPBESRZSA-N 1 0 320.418 2.891 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C/C=C/CO)o2)c([N+](=O)[O-])c1 ZINC000594975882 398885716 /nfs/dbraw/zinc/88/57/16/398885716.db2.gz WHVOKROSACJSCW-NSCUHMNNSA-N 1 0 318.329 2.502 20 5 DFBDRO NC(=O)CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000595001164 398889407 /nfs/dbraw/zinc/88/94/07/398889407.db2.gz RGABUSDBVKDLHL-UHFFFAOYSA-N 1 0 311.407 2.572 20 5 DFBDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093899216 283382584 /nfs/dbraw/zinc/38/25/84/283382584.db2.gz QNBAAFGUGTVMAK-LBPRGKRZSA-N 1 0 307.394 2.532 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)[N@H+](C)C1CC1 ZINC000595012858 398891513 /nfs/dbraw/zinc/89/15/13/398891513.db2.gz PIXJLUKBNKNVOM-NWDGAFQWSA-N 1 0 307.394 2.737 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015741 398891987 /nfs/dbraw/zinc/89/19/87/398891987.db2.gz GNFKGGJDGSKYPU-KGLIPLIRSA-N 1 0 321.421 2.986 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598912953 398892333 /nfs/dbraw/zinc/89/23/33/398892333.db2.gz DBKQDFRWECCNJC-KCJUWKMLSA-N 1 0 312.757 2.510 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000598915461 398892803 /nfs/dbraw/zinc/89/28/03/398892803.db2.gz MGMUVVQAVPCNNS-IUODEOHRSA-N 1 0 318.377 2.591 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cncn1C ZINC000598918050 398892840 /nfs/dbraw/zinc/89/28/40/398892840.db2.gz QRWOCUXJAXMEIL-MDWZMJQESA-N 1 0 300.362 2.564 20 5 DFBDRO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019505 398893315 /nfs/dbraw/zinc/89/33/15/398893315.db2.gz XCYPVBULHVBBQV-CHWSQXEVSA-N 1 0 307.394 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595024984 398894231 /nfs/dbraw/zinc/89/42/31/398894231.db2.gz IQRHGFWLABZZBJ-RWMBFGLXSA-N 1 0 307.394 2.737 20 5 DFBDRO CCOc1cc(N2CCc3[nH+]ccc(N)c3C2)ccc1[N+](=O)[O-] ZINC000598940822 398894569 /nfs/dbraw/zinc/89/45/69/398894569.db2.gz AGXMEGITOLLBHX-UHFFFAOYSA-N 1 0 314.345 2.533 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000595042536 398896416 /nfs/dbraw/zinc/89/64/16/398896416.db2.gz AEABGFSPOCJZLL-AVGNSLFASA-N 1 0 308.378 2.805 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)[C@H](O)C(F)F ZINC000595040260 398896603 /nfs/dbraw/zinc/89/66/03/398896603.db2.gz FSMQAWMOVNDNBX-QWRKXWFKSA-N 1 0 318.320 2.659 20 5 DFBDRO [NH3+]CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000044514692 283427920 /nfs/dbraw/zinc/42/79/20/283427920.db2.gz MMCSRPQRTKELGR-UHFFFAOYSA-N 1 0 303.284 2.789 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000595054389 398897843 /nfs/dbraw/zinc/89/78/43/398897843.db2.gz MZYCDBWQJJQGSI-AAEUAGOBSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598964411 398898641 /nfs/dbraw/zinc/89/86/41/398898641.db2.gz VAZULYVKOGRWMG-ZDUSSCGKSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000595055807 398899068 /nfs/dbraw/zinc/89/90/68/398899068.db2.gz ZXAVDMADNQDPKJ-ZDUSSCGKSA-N 1 0 305.378 2.516 20 5 DFBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054959 398899246 /nfs/dbraw/zinc/89/92/46/398899246.db2.gz QPWFAGIDPVIUFF-OLZOCXBDSA-N 1 0 309.410 2.984 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000595061195 398899850 /nfs/dbraw/zinc/89/98/50/398899850.db2.gz QXZWZZYCVCNOHS-UKPHBRMFSA-N 1 0 322.405 2.557 20 5 DFBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000595065698 398901008 /nfs/dbraw/zinc/90/10/08/398901008.db2.gz JWFARWARWRDJRB-BLLLJJGKSA-N 1 0 308.378 2.687 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)C1CC1 ZINC000595090967 398903641 /nfs/dbraw/zinc/90/36/41/398903641.db2.gz QCXUBZIEVIHJJS-XIRDDKMYSA-N 1 0 316.401 2.809 20 5 DFBDRO CCC[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OCC ZINC000598989422 398904502 /nfs/dbraw/zinc/90/45/02/398904502.db2.gz HPWJRSZLBMWLEB-ZDUSSCGKSA-N 1 0 324.377 2.661 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3C[C@@H](O)C3)cs2)c1 ZINC000599006159 398906929 /nfs/dbraw/zinc/90/69/29/398906929.db2.gz FICAELQHMVTDMJ-WJONMLJTSA-N 1 0 319.386 2.579 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599039359 398911684 /nfs/dbraw/zinc/91/16/84/398911684.db2.gz XILSHAYQNYHBTC-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]1CCCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)[C@@H]1CCC[NH3+] ZINC000595258911 398913681 /nfs/dbraw/zinc/91/36/81/398913681.db2.gz WCTAGDLVZLVAAP-CZUORRHYSA-N 1 0 319.405 2.503 20 5 DFBDRO CCC[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000187699712 200146625 /nfs/dbraw/zinc/14/66/25/200146625.db2.gz BFVBIYUBQBKWCN-ZDUSSCGKSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1ccc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237576948 202290018 /nfs/dbraw/zinc/29/00/18/202290018.db2.gz MIDWOWUQVOLTDR-QWHCGFSZSA-N 1 0 305.378 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CCCC[N@H+](C)C1 ZINC000599071857 398917373 /nfs/dbraw/zinc/91/73/73/398917373.db2.gz UULAXZRYFYXYFA-ZIAGYGMSSA-N 1 0 321.421 2.986 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599077889 398917909 /nfs/dbraw/zinc/91/79/09/398917909.db2.gz AFONRZUDMCFZPF-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO O=C1Nc2ccccc2C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599075360 398918002 /nfs/dbraw/zinc/91/80/02/398918002.db2.gz VSRRNRFJNDHLBG-HOTGVXAUSA-N 1 0 323.352 2.735 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178148556 283481017 /nfs/dbraw/zinc/48/10/17/283481017.db2.gz JXFOPIVNZRMANT-JOYOIKCWSA-N 1 0 319.386 2.667 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000595297823 398918832 /nfs/dbraw/zinc/91/88/32/398918832.db2.gz PFMWCKBHOBESSY-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN(C)CC(F)F ZINC000599088554 398919241 /nfs/dbraw/zinc/91/92/41/398919241.db2.gz FYVWYMXOYGNQHB-LLVKDONJSA-N 1 0 301.337 2.751 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599086050 398919725 /nfs/dbraw/zinc/91/97/25/398919725.db2.gz XXTZPVBJSIFYEW-WBIUFABUSA-N 1 0 306.362 2.822 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000595312953 398921028 /nfs/dbraw/zinc/92/10/28/398921028.db2.gz QAFNSXHBDVEZKY-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000595312952 398921186 /nfs/dbraw/zinc/92/11/86/398921186.db2.gz QAFNSXHBDVEZKY-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000237668206 202324027 /nfs/dbraw/zinc/32/40/27/202324027.db2.gz ZELIIXTZKKRPQS-YHWZYXNKSA-N 1 0 303.362 2.762 20 5 DFBDRO O=c1[nH]ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127144 398925151 /nfs/dbraw/zinc/92/51/51/398925151.db2.gz PQBRWFXHGVCNBU-LBPRGKRZSA-N 1 0 306.366 2.514 20 5 DFBDRO [NH3+]C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000237901178 202384095 /nfs/dbraw/zinc/38/40/95/202384095.db2.gz YZZFGENPPZYSJD-KXKDPZRNSA-N 1 0 317.389 2.632 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000189014131 200335676 /nfs/dbraw/zinc/33/56/76/200335676.db2.gz CEILBNZZDJRULI-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO Cc1noc(C[NH2+][C@@]2(CO)C[C@@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595373963 398928993 /nfs/dbraw/zinc/92/89/93/398928993.db2.gz UHWLDNIGGSYFMU-BONVTDFDSA-N 1 0 311.382 2.558 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1ccnc1)CCCC2 ZINC000417309962 296008712 /nfs/dbraw/zinc/00/87/12/296008712.db2.gz GQOJMNSQYJAQFO-MRXNPFEDSA-N 1 0 300.362 2.849 20 5 DFBDRO CCCNC(=O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417307960 296008775 /nfs/dbraw/zinc/00/87/75/296008775.db2.gz CHNAZAQZUDRQCI-MRXNPFEDSA-N 1 0 319.405 2.868 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178148529 283516650 /nfs/dbraw/zinc/51/66/50/283516650.db2.gz JXFOPIVNZRMANT-BXKDBHETSA-N 1 0 319.386 2.667 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000055405415 398929697 /nfs/dbraw/zinc/92/96/97/398929697.db2.gz HSQKCFLUWHDHJF-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CO[C@H](C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1)[C@@H]1CCOC1 ZINC000595387020 398930423 /nfs/dbraw/zinc/93/04/23/398930423.db2.gz MRJTZLNSDFQNBS-RHSMWYFYSA-N 1 0 320.389 2.611 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000595387913 398930744 /nfs/dbraw/zinc/93/07/44/398930744.db2.gz FAUNKQYXFIRCMZ-TZMCWYRMSA-N 1 0 308.353 2.982 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595393499 398931527 /nfs/dbraw/zinc/93/15/27/398931527.db2.gz QKUSDIJOMUSOAC-BBRMVZONSA-N 1 0 324.352 2.945 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595393500 398931561 /nfs/dbraw/zinc/93/15/61/398931561.db2.gz QKUSDIJOMUSOAC-CJNGLKHVSA-N 1 0 324.352 2.945 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285348775 299306394 /nfs/dbraw/zinc/30/63/94/299306394.db2.gz VCFCSEVAHHYUER-WFASDCNBSA-N 1 0 318.421 2.845 20 5 DFBDRO C[S@@](=O)C1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000417337514 296011832 /nfs/dbraw/zinc/01/18/32/296011832.db2.gz WXHYWQIJVQKHQJ-IVZQSRNASA-N 1 0 322.430 2.863 20 5 DFBDRO CO[C@@]1(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417344232 296012188 /nfs/dbraw/zinc/01/21/88/296012188.db2.gz PTMMBTYGBARQCO-IAGOWNOFSA-N 1 0 320.389 2.757 20 5 DFBDRO CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355352 296013474 /nfs/dbraw/zinc/01/34/74/296013474.db2.gz NKQILRRLIQKZKA-GOEBONIOSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)CN1CCOCC1 ZINC000153227117 398935553 /nfs/dbraw/zinc/93/55/53/398935553.db2.gz HOMAYXAFTPGLGW-ZFWWWQNUSA-N 1 0 321.421 2.522 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC[C@H]2CCCO2)C2CC2)c1 ZINC000153305702 398936182 /nfs/dbraw/zinc/93/61/82/398936182.db2.gz YCGCAUKDWQJEDA-QGZVFWFLSA-N 1 0 320.389 2.755 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417379171 296014812 /nfs/dbraw/zinc/01/48/12/296014812.db2.gz GBLAVJRICNLUHJ-AAEUAGOBSA-N 1 0 313.348 2.893 20 5 DFBDRO Cc1noc(C[NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)c1[N+](=O)[O-] ZINC000595435971 398938075 /nfs/dbraw/zinc/93/80/75/398938075.db2.gz KSILEZRJYBBWAC-ZYSBLVPFSA-N 1 0 317.345 2.934 20 5 DFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000055749892 398941851 /nfs/dbraw/zinc/94/18/51/398941851.db2.gz GIOYLVUGOOVEAF-HZSPNIEDSA-N 1 0 319.405 2.691 20 5 DFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000078247350 398944411 /nfs/dbraw/zinc/94/44/11/398944411.db2.gz NBQUINYFBJZMRK-UHFFFAOYSA-N 1 0 303.284 2.756 20 5 DFBDRO CC(C)CNC(=O)CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595473330 398945902 /nfs/dbraw/zinc/94/59/02/398945902.db2.gz ARQYBMTXROMEQV-UHFFFAOYSA-N 1 0 321.421 2.622 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@H](C)C1 ZINC000078332761 398948923 /nfs/dbraw/zinc/94/89/23/398948923.db2.gz VSZPCFPQGRQSNQ-ZWNOBZJWSA-N 1 0 312.801 2.810 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595493608 398949708 /nfs/dbraw/zinc/94/97/08/398949708.db2.gz UNEBYJLTAOWZQF-XNHOIOAFSA-N 1 0 306.337 2.589 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000271987997 209362328 /nfs/dbraw/zinc/36/23/28/209362328.db2.gz DFXGLBNBAWLAMK-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOc1cc(C[NH2+]C2(CCO)CCCC2)ccc1[N+](=O)[O-] ZINC000595507858 398953606 /nfs/dbraw/zinc/95/36/06/398953606.db2.gz AYNCARIVRXPAMD-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO C[C@@H]1CN(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000595511223 398954245 /nfs/dbraw/zinc/95/42/45/398954245.db2.gz POCRUSXJMDCWOP-ZIAGYGMSSA-N 1 0 321.421 2.529 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000595514021 398954440 /nfs/dbraw/zinc/95/44/40/398954440.db2.gz KCCZQTJREILMLW-LZWOXQAQSA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000595514023 398954508 /nfs/dbraw/zinc/95/45/08/398954508.db2.gz KCCZQTJREILMLW-SQWLQELKSA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000595525337 398956660 /nfs/dbraw/zinc/95/66/60/398956660.db2.gz RDOGDLDMWGRPDV-HOCLYGCPSA-N 1 0 308.353 2.621 20 5 DFBDRO CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196107 398957127 /nfs/dbraw/zinc/95/71/27/398957127.db2.gz NYRJEOBQUXHLGW-OLZOCXBDSA-N 1 0 307.394 2.940 20 5 DFBDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196075 398957132 /nfs/dbraw/zinc/95/71/32/398957132.db2.gz AZTAGQZYRPYFSI-VXGBXAGGSA-N 1 0 307.394 2.939 20 5 DFBDRO CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196066 398957189 /nfs/dbraw/zinc/95/71/89/398957189.db2.gz BXYSOBHSHFLRHL-STQMWFEESA-N 1 0 307.394 2.796 20 5 DFBDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196071 398957245 /nfs/dbraw/zinc/95/72/45/398957245.db2.gz AZTAGQZYRPYFSI-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000056196733 398957254 /nfs/dbraw/zinc/95/72/54/398957254.db2.gz WVAXNDJRKSEJIT-WDEREUQCSA-N 1 0 318.333 2.569 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C)C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000471962801 299317270 /nfs/dbraw/zinc/31/72/70/299317270.db2.gz BQPYCFUSFOZNNL-GFCCVEGCSA-N 1 0 307.394 2.617 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCOCC2)cc1[N+](=O)[O-] ZINC000599355388 398960215 /nfs/dbraw/zinc/96/02/15/398960215.db2.gz ZWJUNDHBBPVWIE-ZDUSSCGKSA-N 1 0 308.378 2.749 20 5 DFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000271898949 209306397 /nfs/dbraw/zinc/30/63/97/209306397.db2.gz YWMNMFCOITUACB-UHFFFAOYSA-N 1 0 313.304 2.870 20 5 DFBDRO COc1cc(C[NH2+]C2(CO)CCCCC2)c([N+](=O)[O-])cc1F ZINC000613382998 398967982 /nfs/dbraw/zinc/96/79/82/398967982.db2.gz GJESVHBLZRHNIC-UHFFFAOYSA-N 1 0 312.341 2.527 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000613389244 398969176 /nfs/dbraw/zinc/96/91/76/398969176.db2.gz FTKGHFANIFTYNU-KSSFIOAISA-N 1 0 314.385 2.892 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000271880643 209291690 /nfs/dbraw/zinc/29/16/90/209291690.db2.gz BYANSGAYLZMZHO-UHFFFAOYSA-N 1 0 317.389 2.512 20 5 DFBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193229861 201009154 /nfs/dbraw/zinc/00/91/54/201009154.db2.gz LRHHKGZTENUUCR-WFASDCNBSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1cccc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000193448280 201054253 /nfs/dbraw/zinc/05/42/53/201054253.db2.gz WCYVRSUEDBSBHP-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000056502875 398975297 /nfs/dbraw/zinc/97/52/97/398975297.db2.gz QIKSKDQJYBNDPC-QWHCGFSZSA-N 1 0 320.393 2.837 20 5 DFBDRO CCOCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447563783 297308725 /nfs/dbraw/zinc/30/87/25/297308725.db2.gz SKKGPOYVPCPWGH-KGLIPLIRSA-N 1 0 310.398 2.681 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000193926632 201147382 /nfs/dbraw/zinc/14/73/82/201147382.db2.gz JRXFFOAXSVEVCR-ZIAGYGMSSA-N 1 0 319.405 2.955 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c([N+](=O)[O-])c1 ZINC000281513116 216352901 /nfs/dbraw/zinc/35/29/01/216352901.db2.gz PSKUEKRQAUEZSJ-BLLLJJGKSA-N 1 0 317.389 2.718 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000194703251 201275424 /nfs/dbraw/zinc/27/54/24/201275424.db2.gz KVRVDVRHVMJWCR-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CCO[C@H]1c1cc[nH]n1 ZINC000599488957 398993685 /nfs/dbraw/zinc/99/36/85/398993685.db2.gz KNVYAIYUJCEEOE-BXUZGUMPSA-N 1 0 322.752 2.591 20 5 DFBDRO COC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791556 299338951 /nfs/dbraw/zinc/33/89/51/299338951.db2.gz RUDBEGVMNDDHID-RYUDHWBXSA-N 1 0 321.377 2.584 20 5 DFBDRO COC(=O)c1cc(NCC(C)(C)C[NH+](C)C)cc(C)c1[N+](=O)[O-] ZINC000474781554 299338713 /nfs/dbraw/zinc/33/87/13/299338713.db2.gz UAKQEWBIURLVJW-UHFFFAOYSA-N 1 0 323.393 2.690 20 5 DFBDRO CC[C@H](NC(=O)N[C@@H](C)CCCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417848783 296057770 /nfs/dbraw/zinc/05/77/70/296057770.db2.gz KVUWKTSTWLGUDH-WFASDCNBSA-N 1 0 322.409 2.863 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848829 296057811 /nfs/dbraw/zinc/05/78/11/296057811.db2.gz KZTSWMDLYSHOBY-OCCSQVGLSA-N 1 0 322.409 2.781 20 5 DFBDRO COC[C@@]1(C)CN(C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217276 399009529 /nfs/dbraw/zinc/00/95/29/399009529.db2.gz HAXWBNCUKNNVTL-CRPZLVSXSA-N 1 0 320.389 2.735 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000271810939 209235236 /nfs/dbraw/zinc/23/52/36/209235236.db2.gz ASOUEZDSCXQERB-BMFZPTHFSA-N 1 0 304.390 2.931 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275435939 212329870 /nfs/dbraw/zinc/32/98/70/212329870.db2.gz WAORBAFUXNKNGU-GFCCVEGCSA-N 1 0 304.394 2.707 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632145 399036174 /nfs/dbraw/zinc/03/61/74/399036174.db2.gz UTTRJAMRFXZGCL-HCZJVJLPSA-N 1 0 308.403 2.641 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000595695836 399039149 /nfs/dbraw/zinc/03/91/49/399039149.db2.gz ICAVRHKSNWRXDY-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255566403 283890570 /nfs/dbraw/zinc/89/05/70/283890570.db2.gz NKJJOIJEZHYFPQ-CFYYFVFUSA-N 1 0 317.389 2.599 20 5 DFBDRO COC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533752 291363059 /nfs/dbraw/zinc/36/30/59/291363059.db2.gz VKDIVQYTNQNOKR-QWHCGFSZSA-N 1 0 306.362 2.849 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000618197187 399041274 /nfs/dbraw/zinc/04/12/74/399041274.db2.gz YDCFYBYPACQPFC-MFBWXBCUSA-N 1 0 312.373 2.657 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](CCCF)CC2)c(Cl)c1 ZINC000599666703 399052303 /nfs/dbraw/zinc/05/23/03/399052303.db2.gz BOORWIAXXUHSNK-UHFFFAOYSA-N 1 0 315.776 2.725 20 5 DFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000478504165 299367245 /nfs/dbraw/zinc/36/72/45/299367245.db2.gz VKFDGCVFLXLTGS-LBPRGKRZSA-N 1 0 307.394 2.640 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000058257213 399078241 /nfs/dbraw/zinc/07/82/41/399078241.db2.gz IRSUWRPRZOSOKM-SOFGYWHQSA-N 1 0 323.368 2.594 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266776204 299380409 /nfs/dbraw/zinc/38/04/09/299380409.db2.gz LQQSVDVAKSBCAV-AEGPPILISA-N 1 0 319.405 2.892 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282018097 216700218 /nfs/dbraw/zinc/70/02/18/216700218.db2.gz KCGAEEDRGRKDLG-HZPDHXFCSA-N 1 0 320.389 2.567 20 5 DFBDRO Cc1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000298742233 284024830 /nfs/dbraw/zinc/02/48/30/284024830.db2.gz RWGXNKDDEVRFKS-AGUYFDCRSA-N 1 0 318.377 2.650 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595785183 399084445 /nfs/dbraw/zinc/08/44/45/399084445.db2.gz WEQBNSLELICFBR-RBSFLKMASA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc(NCC2([NH+](C)C)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000419010792 296123965 /nfs/dbraw/zinc/12/39/65/296123965.db2.gz RAPLNVUEVIRZCB-UHFFFAOYSA-N 1 0 300.362 2.958 20 5 DFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000481172454 299392393 /nfs/dbraw/zinc/39/23/93/299392393.db2.gz GVMLNFXDBPKSBJ-KFWWJZLASA-N 1 0 322.405 2.893 20 5 DFBDRO CC(C)CC1([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000595830590 399102001 /nfs/dbraw/zinc/10/20/01/399102001.db2.gz IDMMGCCEUKQGIX-CYBMUJFWSA-N 1 0 308.378 2.503 20 5 DFBDRO CC(C)CC1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000595830592 399102354 /nfs/dbraw/zinc/10/23/54/399102354.db2.gz IDMMGCCEUKQGIX-ZDUSSCGKSA-N 1 0 308.378 2.503 20 5 DFBDRO CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 ZINC000481751175 299398727 /nfs/dbraw/zinc/39/87/27/299398727.db2.gz QUKCPQHJHQDXKW-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2cc(N)ccc2[N+](=O)[O-])cc1 ZINC000282233983 216844235 /nfs/dbraw/zinc/84/42/35/216844235.db2.gz LJTMPCGVWKQSEC-UHFFFAOYSA-N 1 0 314.389 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCC(O)CC2)c(Cl)c1 ZINC000059363442 399109584 /nfs/dbraw/zinc/10/95/84/399109584.db2.gz JQQWAJFPXGRVES-UHFFFAOYSA-N 1 0 313.785 2.507 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000339230047 284137735 /nfs/dbraw/zinc/13/77/35/284137735.db2.gz DXVLAIRSUYZFTR-AWEZNQCLSA-N 1 0 319.405 2.818 20 5 DFBDRO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850596 399112647 /nfs/dbraw/zinc/11/26/47/399112647.db2.gz MLEFZTMPJIXHQC-HIFRSBDPSA-N 1 0 319.405 2.892 20 5 DFBDRO COC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000174595589 399115561 /nfs/dbraw/zinc/11/55/61/399115561.db2.gz LAUHDFPYLWPNCV-UHFFFAOYSA-N 1 0 304.293 2.711 20 5 DFBDRO CCCCC[C@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869430 399117567 /nfs/dbraw/zinc/11/75/67/399117567.db2.gz AWHLPJZWJIOZLX-GOEBONIOSA-N 1 0 324.425 2.587 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000595874420 399118804 /nfs/dbraw/zinc/11/88/04/399118804.db2.gz OMTLANRZFNRVCJ-DYVFJYSZSA-N 1 0 322.405 2.832 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000093690946 193289340 /nfs/dbraw/zinc/28/93/40/193289340.db2.gz LVKTZBQNDSIVKG-MRXNPFEDSA-N 1 0 313.357 2.952 20 5 DFBDRO [NH3+]C[C@@H]1CCc2ccccc2N1Cc1csc([N+](=O)[O-])c1 ZINC000595902624 399129161 /nfs/dbraw/zinc/12/91/61/399129161.db2.gz BNOJBVNQPKBMJA-ZDUSSCGKSA-N 1 0 303.387 2.936 20 5 DFBDRO [NH3+][C@@H]1CCc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000595904413 399129511 /nfs/dbraw/zinc/12/95/11/399129511.db2.gz YHFVGFKABZFSOL-CYBMUJFWSA-N 1 0 303.387 2.936 20 5 DFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H](C[NH3+])C(F)(F)F ZINC000595907069 399130640 /nfs/dbraw/zinc/13/06/40/399130640.db2.gz FLYBPPPORXYABK-SNVBAGLBSA-N 1 0 311.691 2.570 20 5 DFBDRO CCOc1cc(NCC[NH+]2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000080250646 399132626 /nfs/dbraw/zinc/13/26/26/399132626.db2.gz LPMMWBMENWODPQ-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO CS[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000340752131 284210387 /nfs/dbraw/zinc/21/03/87/284210387.db2.gz IURXWZDIWMDNEU-OLZOCXBDSA-N 1 0 315.826 2.730 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C1CC[NH2+]CC1 ZINC000420137710 296159298 /nfs/dbraw/zinc/15/92/98/296159298.db2.gz LYYNCQLDMFAGHV-UHFFFAOYSA-N 1 0 312.373 2.845 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000060559187 399136913 /nfs/dbraw/zinc/13/69/13/399136913.db2.gz ZZHOUQFBOXTLGC-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000420182065 296160842 /nfs/dbraw/zinc/16/08/42/296160842.db2.gz YRYKQUWTHPGBGM-VIFPVBQESA-N 1 0 301.293 2.608 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420185554 296160971 /nfs/dbraw/zinc/16/09/71/296160971.db2.gz KZIUJPIZXACANH-DGCLKSJQSA-N 1 0 300.362 2.707 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420184785 296161048 /nfs/dbraw/zinc/16/10/48/296161048.db2.gz JVFPYYLNKDERCM-JTQLQIEISA-N 1 0 303.309 2.982 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000264210863 203772473 /nfs/dbraw/zinc/77/24/73/203772473.db2.gz MGTPZAKUJHBDCI-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCCN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000420220867 296163319 /nfs/dbraw/zinc/16/33/19/296163319.db2.gz PVTKINMUAMSCAG-LLVKDONJSA-N 1 0 315.320 2.775 20 5 DFBDRO [NH3+][C@@H]1CC[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]12 ZINC000420226376 296163657 /nfs/dbraw/zinc/16/36/57/296163657.db2.gz GNZRQIXXPGWFHE-RRFJBIMHSA-N 1 0 324.384 2.830 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000420234901 296164410 /nfs/dbraw/zinc/16/44/10/296164410.db2.gz HVLAMDPECCWWAE-SECBINFHSA-N 1 0 301.293 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)c1 ZINC000600782441 399144660 /nfs/dbraw/zinc/14/46/60/399144660.db2.gz KYVVTCBOSZIPPU-AWEZNQCLSA-N 1 0 312.369 2.906 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000420232952 296164516 /nfs/dbraw/zinc/16/45/16/296164516.db2.gz MILRXWBIHKYMFR-GFCCVEGCSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420237814 296164788 /nfs/dbraw/zinc/16/47/88/296164788.db2.gz CQPHHRXUVUSWTK-WCBMZHEXSA-N 1 0 301.293 2.749 20 5 DFBDRO C[C@@H](c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)N1CC[NH2+]CC1 ZINC000600788037 399145195 /nfs/dbraw/zinc/14/51/95/399145195.db2.gz DYUQJRNWYJMMLW-ZDUSSCGKSA-N 1 0 312.373 2.623 20 5 DFBDRO CCOc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420243213 296165078 /nfs/dbraw/zinc/16/50/78/296165078.db2.gz CKTMVURXPLKOBO-MRXNPFEDSA-N 1 0 305.378 2.573 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420242344 296165218 /nfs/dbraw/zinc/16/52/18/296165218.db2.gz NCKWBEWXUNWVLZ-GFCCVEGCSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000596015178 399148336 /nfs/dbraw/zinc/14/83/36/399148336.db2.gz ZPDRBVGLZSQMFF-RYUDHWBXSA-N 1 0 324.812 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3[NH2+]CC[C@@H]3C2)nc1-c1ccccc1 ZINC000420253734 296166192 /nfs/dbraw/zinc/16/61/92/296166192.db2.gz BSBVMVYCZWVHCP-HUUCEWRRSA-N 1 0 324.384 2.845 20 5 DFBDRO [NH3+]C[C@H]1CCCN1Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788393 399146598 /nfs/dbraw/zinc/14/65/98/399146598.db2.gz IZDBXBGEZMHAGM-MRXNPFEDSA-N 1 0 312.373 2.580 20 5 DFBDRO COC[C@@]1(CNc2c(C)cc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000420256284 296166265 /nfs/dbraw/zinc/16/62/65/296166265.db2.gz UQIGFNREXLZBQI-AWEZNQCLSA-N 1 0 313.785 2.737 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420255503 296166329 /nfs/dbraw/zinc/16/63/29/296166329.db2.gz SVNBXDLKTOSKLA-UHFFFAOYSA-N 1 0 312.801 2.989 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000264684428 204076271 /nfs/dbraw/zinc/07/62/71/204076271.db2.gz XVGADIUDLWGCRW-CQSZACIVSA-N 1 0 305.334 2.911 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420263571 296167073 /nfs/dbraw/zinc/16/70/73/296167073.db2.gz UDHZPCAIMKDLOZ-GXSJLCMTSA-N 1 0 315.320 2.760 20 5 DFBDRO COc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1F ZINC000420272201 296167837 /nfs/dbraw/zinc/16/78/37/296167837.db2.gz LAYODQXDGIWPEG-RYUDHWBXSA-N 1 0 323.368 2.568 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000420271381 296167959 /nfs/dbraw/zinc/16/79/59/296167959.db2.gz COKGDQPXXSXIKJ-IUCAKERBSA-N 1 0 307.379 2.529 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC[C@H]1CCC[NH2+]1 ZINC000420274384 296168068 /nfs/dbraw/zinc/16/80/68/296168068.db2.gz FURGTRSUXBGPBQ-SECBINFHSA-N 1 0 318.299 2.953 20 5 DFBDRO COC(=O)c1cc(N[C@H](C)CCCC[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420267792 296167548 /nfs/dbraw/zinc/16/75/48/296167548.db2.gz YOWSRAOQSJWQFJ-LLVKDONJSA-N 1 0 309.366 2.619 20 5 DFBDRO CCOc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000420266917 296167553 /nfs/dbraw/zinc/16/75/53/296167553.db2.gz WFFOTEWPNNPIBM-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N2C[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420284364 296169211 /nfs/dbraw/zinc/16/92/11/296169211.db2.gz UONNXOMMYPUCOM-WPRPVWTQSA-N 1 0 303.284 2.705 20 5 DFBDRO C[NH+](C)C1(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CCCCCC1 ZINC000596058550 399157505 /nfs/dbraw/zinc/15/75/05/399157505.db2.gz KRVDUHMRUHHSMA-UHFFFAOYSA-N 1 0 308.382 2.762 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1[NH3+] ZINC000420289811 296169816 /nfs/dbraw/zinc/16/98/16/296169816.db2.gz ZZAXHINLXYXEGI-JOYOIKCWSA-N 1 0 304.375 2.502 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H]1[NH3+] ZINC000420289813 296169825 /nfs/dbraw/zinc/16/98/25/296169825.db2.gz ZZAXHINLXYXEGI-SKDRFNHKSA-N 1 0 304.375 2.502 20 5 DFBDRO C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C[NH3+] ZINC000420289405 296169830 /nfs/dbraw/zinc/16/98/30/296169830.db2.gz UNLURUFFKGBGCA-WCQYABFASA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@@H]1[NH3+] ZINC000420289808 296170005 /nfs/dbraw/zinc/17/00/05/296170005.db2.gz ZZAXHINLXYXEGI-CABZTGNLSA-N 1 0 304.375 2.502 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1C[NH3+] ZINC000420291203 296170121 /nfs/dbraw/zinc/17/01/21/296170121.db2.gz XBUAPJISGSLZRU-ZJUUUORDSA-N 1 0 315.320 2.617 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000264905982 204257146 /nfs/dbraw/zinc/25/71/46/204257146.db2.gz DDILHDHXJUWRRI-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CC[N@H+](C)Cc1cccc(CNc2c([N+](=O)[O-])c(C)nn2C)c1 ZINC000264959440 204305841 /nfs/dbraw/zinc/30/58/41/204305841.db2.gz XCIFCXDNEHFNEB-UHFFFAOYSA-N 1 0 317.393 2.701 20 5 DFBDRO C[C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)[NH+](C)C ZINC000264965577 204309498 /nfs/dbraw/zinc/30/94/98/204309498.db2.gz PIWRIVXRJIDTNV-NSHDSACASA-N 1 0 320.418 2.758 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000265070603 204376744 /nfs/dbraw/zinc/37/67/44/204376744.db2.gz PALMDGVSCNBCCE-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCCC2)C1 ZINC000171446846 296172767 /nfs/dbraw/zinc/17/27/67/296172767.db2.gz DFZGRDDSGKDTCT-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618574878 399164450 /nfs/dbraw/zinc/16/44/50/399164450.db2.gz OAMVULSSIGCLRO-CVEARBPZSA-N 1 0 319.405 2.723 20 5 DFBDRO COc1cc(N2CC[N@@H+]3CCC[C@H]3C2)c(Cl)cc1[N+](=O)[O-] ZINC000596074999 399164868 /nfs/dbraw/zinc/16/48/68/399164868.db2.gz WHQSYQXWTXPLTA-JTQLQIEISA-N 1 0 311.769 2.541 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288218952 220026370 /nfs/dbraw/zinc/02/63/70/220026370.db2.gz DPHPEMGKFSJUNH-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420343903 296177717 /nfs/dbraw/zinc/17/77/17/296177717.db2.gz SAKBNLQQNFSPTI-XJKSGUPXSA-N 1 0 321.421 2.941 20 5 DFBDRO CCC(CC)(CCO)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000282574159 217099407 /nfs/dbraw/zinc/09/94/07/217099407.db2.gz ZXLMSYVIEUDIBM-UHFFFAOYSA-N 1 0 314.357 2.773 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000342029504 284311227 /nfs/dbraw/zinc/31/12/27/284311227.db2.gz FTHIDVKYVXXRCK-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596111062 399177225 /nfs/dbraw/zinc/17/72/25/399177225.db2.gz WDIFJENRLPIKSM-JTQLQIEISA-N 1 0 303.284 2.754 20 5 DFBDRO O=C1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000282669637 217164957 /nfs/dbraw/zinc/16/49/57/217164957.db2.gz CDQKCUVUUUPYCJ-ZDUSSCGKSA-N 1 0 323.780 2.539 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420400527 296186610 /nfs/dbraw/zinc/18/66/10/296186610.db2.gz IPCCJGFIMRNHAL-DZGCQCFKSA-N 1 0 321.421 2.799 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000342461075 284333150 /nfs/dbraw/zinc/33/31/50/284333150.db2.gz WCQQKLYYFYRJFS-ZDUSSCGKSA-N 1 0 320.295 2.966 20 5 DFBDRO Cc1cc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124050 399181571 /nfs/dbraw/zinc/18/15/71/399181571.db2.gz SWXCUDCTMYNHLH-GFCCVEGCSA-N 1 0 324.450 2.545 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[NH2+]C13CCC3)CCCC2 ZINC000600950205 399184390 /nfs/dbraw/zinc/18/43/90/399184390.db2.gz AOELWIWLMIHDBE-CQSZACIVSA-N 1 0 302.378 2.565 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600950835 399184574 /nfs/dbraw/zinc/18/45/74/399184574.db2.gz AOJNGXJPVIXHFX-HTQZYQBOSA-N 1 0 309.313 2.620 20 5 DFBDRO [NH3+][C@]1(CO)CCc2cc(-c3ccc(F)cc3[N+](=O)[O-])ccc2C1 ZINC000600946397 399183769 /nfs/dbraw/zinc/18/37/69/399183769.db2.gz OHDVLMXXXIQBBV-QGZVFWFLSA-N 1 0 316.332 2.579 20 5 DFBDRO Cc1cccc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600953246 399185814 /nfs/dbraw/zinc/18/58/14/399185814.db2.gz XSZLPOCMRACFNS-MNOVXSKESA-N 1 0 317.311 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282770785 217238287 /nfs/dbraw/zinc/23/82/87/217238287.db2.gz LSKILFPCOPOBJB-SWLSCSKDSA-N 1 0 317.389 2.755 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600955935 399186330 /nfs/dbraw/zinc/18/63/30/399186330.db2.gz KAYQZPWVIZHHCZ-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000600960303 399188708 /nfs/dbraw/zinc/18/87/08/399188708.db2.gz CMHACYRDAPNZGC-IUCAKERBSA-N 1 0 303.284 2.645 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000600958193 399187372 /nfs/dbraw/zinc/18/73/72/399187372.db2.gz BGFQTSBPXDWWRN-GFCCVEGCSA-N 1 0 300.362 2.851 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000600958793 399187557 /nfs/dbraw/zinc/18/75/57/399187557.db2.gz LDCZMBWTJCRUBE-LBPRGKRZSA-N 1 0 300.362 2.851 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000266161426 205148114 /nfs/dbraw/zinc/14/81/14/205148114.db2.gz ZSOOVDWSQXTAMI-CHWSQXEVSA-N 1 0 301.350 2.584 20 5 DFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252423 399190109 /nfs/dbraw/zinc/19/01/09/399190109.db2.gz RXVRWOCAYFURHP-YPMHNXCESA-N 1 0 306.362 2.986 20 5 DFBDRO COc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156617 399194701 /nfs/dbraw/zinc/19/47/01/399194701.db2.gz LZXVZOJGNCIXQB-RNCFNFMXSA-N 1 0 313.785 2.643 20 5 DFBDRO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000266199247 205178140 /nfs/dbraw/zinc/17/81/40/205178140.db2.gz DFLNDGIWKYDINI-UHFFFAOYSA-N 1 0 312.373 2.501 20 5 DFBDRO COc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156395 399194772 /nfs/dbraw/zinc/19/47/72/399194772.db2.gz OVCFSSJEJLUNJJ-VXGBXAGGSA-N 1 0 305.378 2.949 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000266224423 205196094 /nfs/dbraw/zinc/19/60/94/205196094.db2.gz RJTWLXFFIKDGCB-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000288377756 220118559 /nfs/dbraw/zinc/11/85/59/220118559.db2.gz LNAPZFOLEJKEBG-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCCC[NH+](C)C ZINC000614284829 399197250 /nfs/dbraw/zinc/19/72/50/399197250.db2.gz OZCMVDZBDKFSPE-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO C[NH+](C)C1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000420633454 296194203 /nfs/dbraw/zinc/19/42/03/296194203.db2.gz YMTJGRMDQGZOJN-UHFFFAOYSA-N 1 0 321.406 2.884 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000063711051 399203819 /nfs/dbraw/zinc/20/38/19/399203819.db2.gz WDRMKSHKTIGJAJ-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO O=C(c1cc2ccccc2c2cccnc12)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195267013 296195211 /nfs/dbraw/zinc/19/52/11/296195211.db2.gz DQQFWOJMRBQWAM-GASCZTMLSA-N 1 0 317.392 2.679 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000063785257 399207961 /nfs/dbraw/zinc/20/79/61/399207961.db2.gz DOOQGQPWJZROKT-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]1CCCO1 ZINC000342608336 284379183 /nfs/dbraw/zinc/37/91/83/284379183.db2.gz SIGNQIAKQWROPJ-OAHLLOKOSA-N 1 0 308.378 2.994 20 5 DFBDRO O=C1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C2(CCC2)N1 ZINC000282978110 217363716 /nfs/dbraw/zinc/36/37/16/217363716.db2.gz ZLZBOPWDOUGALF-ZDUSSCGKSA-N 1 0 323.780 2.539 20 5 DFBDRO CC(=O)c1cc(NC[C@@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000288494495 220178404 /nfs/dbraw/zinc/17/84/04/220178404.db2.gz RUGYZZCSFICTMJ-HNNXBMFYSA-N 1 0 323.418 2.647 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3ccc(F)cc3C2)cs1 ZINC000288570698 220246465 /nfs/dbraw/zinc/24/64/65/220246465.db2.gz NAYDDRRVRXRFAV-GFCCVEGCSA-N 1 0 308.334 2.889 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000601111483 399230508 /nfs/dbraw/zinc/23/05/08/399230508.db2.gz TXBUWOSIRNDBTE-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+](CCO)Cc2ccccc2)cc1 ZINC000064845242 399233592 /nfs/dbraw/zinc/23/35/92/399233592.db2.gz HLSMNROUGLFVPF-UHFFFAOYSA-N 1 0 300.358 2.632 20 5 DFBDRO CC1(C)C[C@H](Nc2ccnc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000601135238 399237174 /nfs/dbraw/zinc/23/71/74/399237174.db2.gz SJBVBPRBURHSNU-LLVKDONJSA-N 1 0 301.346 2.934 20 5 DFBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000601151172 399242552 /nfs/dbraw/zinc/24/25/52/399242552.db2.gz QRRNYVNVNYMDML-PVLFTYKWSA-N 1 0 304.268 2.509 20 5 DFBDRO C[NH+](C)CCC1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601163675 399244703 /nfs/dbraw/zinc/24/47/03/399244703.db2.gz ORDRQSISOWRHMJ-UHFFFAOYSA-N 1 0 323.368 2.538 20 5 DFBDRO CC(C)[N@@H+]1CCCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267632977 206186436 /nfs/dbraw/zinc/18/64/36/206186436.db2.gz STWTYBYOKIHYKJ-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@H]1C[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1C ZINC000267641135 206190906 /nfs/dbraw/zinc/19/09/06/206190906.db2.gz IVLVAQDGIRFZPK-PHIMTYICSA-N 1 0 302.334 2.733 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@@H+]1C ZINC000421004012 296223477 /nfs/dbraw/zinc/22/34/77/296223477.db2.gz NSNHZZGYGILWJX-INIZCTEOSA-N 1 0 321.421 2.908 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421023082 296227474 /nfs/dbraw/zinc/22/74/74/296227474.db2.gz VVYKKKICLCJMKP-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3ccc(F)cc3[N+](=O)[O-])cn2)CC1 ZINC000601225732 399258580 /nfs/dbraw/zinc/25/85/80/399258580.db2.gz IXGQQPCNOUKVAM-UHFFFAOYSA-N 1 0 319.340 2.941 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000601229198 399259752 /nfs/dbraw/zinc/25/97/52/399259752.db2.gz IKHOCBZPYCRVRB-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421099440 296235132 /nfs/dbraw/zinc/23/51/32/296235132.db2.gz OPDVXIRWCBMQRB-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601281666 399269896 /nfs/dbraw/zinc/26/98/96/399269896.db2.gz SGZPCCDXZYRJMG-AEGPPILISA-N 1 0 319.405 2.811 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1[N+](=O)[O-] ZINC000601298297 399272836 /nfs/dbraw/zinc/27/28/36/399272836.db2.gz HDADVILDJDQNPG-JOYOIKCWSA-N 1 0 318.320 2.660 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C(F)(F)F)n1 ZINC000601306691 399274136 /nfs/dbraw/zinc/27/41/36/399274136.db2.gz OLXLFUYDFAOCQE-YTWAJWBKSA-N 1 0 318.299 2.815 20 5 DFBDRO COc1ccc(C[NH2+]CC2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000344598715 284655120 /nfs/dbraw/zinc/65/51/20/284655120.db2.gz DOPPMVLXTVBEAF-UHFFFAOYSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1cc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000608901444 399300254 /nfs/dbraw/zinc/30/02/54/399300254.db2.gz ZCKHSPYQTTVBNC-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000609133565 399304617 /nfs/dbraw/zinc/30/46/17/399304617.db2.gz IIDAICIQMSKRJO-OAHLLOKOSA-N 1 0 303.362 2.716 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609386235 399316806 /nfs/dbraw/zinc/31/68/06/399316806.db2.gz NNITUIGITJOABL-CQSZACIVSA-N 1 0 307.394 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000043326856 183355430 /nfs/dbraw/zinc/35/54/30/183355430.db2.gz GWHDFRXLJRFCFS-QMMMGPOBSA-N 1 0 300.156 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2[nH]nc3ccccc32)cc1 ZINC000609466577 399319304 /nfs/dbraw/zinc/31/93/04/399319304.db2.gz OCNGJMWJLNBWIM-UHFFFAOYSA-N 1 0 312.329 2.640 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421684240 296272345 /nfs/dbraw/zinc/27/23/45/296272345.db2.gz JDHQTNUPJBYAQY-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000421752123 296274528 /nfs/dbraw/zinc/27/45/28/296274528.db2.gz QAQNPVVFKQXPQI-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000609893920 399335972 /nfs/dbraw/zinc/33/59/72/399335972.db2.gz FAWSGBQGURRKAM-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000601792268 399337878 /nfs/dbraw/zinc/33/78/78/399337878.db2.gz UFGXHPKABMQUAB-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO O=[N+]([O-])c1cnc(Nc2cccc(CC[NH+]3CCCC3)c2)nc1 ZINC000274002852 211260693 /nfs/dbraw/zinc/26/06/93/211260693.db2.gz TYHBNLOSPKAUMF-UHFFFAOYSA-N 1 0 313.361 2.767 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000104728912 194031307 /nfs/dbraw/zinc/03/13/07/194031307.db2.gz YJSLCKIJJUBBST-ZDUSSCGKSA-N 1 0 317.389 2.743 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000273957527 211212932 /nfs/dbraw/zinc/21/29/32/211212932.db2.gz GBFVJVJZWIPHOK-OLZOCXBDSA-N 1 0 308.378 2.897 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000610252139 399350924 /nfs/dbraw/zinc/35/09/24/399350924.db2.gz OZMHSTXIILBAMP-CVEARBPZSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284695806 218137793 /nfs/dbraw/zinc/13/77/93/218137793.db2.gz IFDGOBLYLTWMBP-HIFRSBDPSA-N 1 0 306.362 2.617 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000619531773 399358516 /nfs/dbraw/zinc/35/85/16/399358516.db2.gz KWDWMFNXAMFDJQ-CQSZACIVSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@H](c1ccncc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000610391388 399362917 /nfs/dbraw/zinc/36/29/17/399362917.db2.gz DTSIQVGYQKOLQL-TZMCWYRMSA-N 1 0 313.361 2.632 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000619566977 399362814 /nfs/dbraw/zinc/36/28/14/399362814.db2.gz FMHMMCAXJCQSGB-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc([N+](=O)[O-])cc1Cl ZINC000619574177 399363972 /nfs/dbraw/zinc/36/39/72/399363972.db2.gz XVEVOPMDOHYKNB-UHFFFAOYSA-N 1 0 323.780 2.606 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284872637 218216485 /nfs/dbraw/zinc/21/64/85/218216485.db2.gz BASGNDZMHKRWTQ-AAEUAGOBSA-N 1 0 321.377 2.513 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284883997 218221799 /nfs/dbraw/zinc/22/17/99/218221799.db2.gz TVKCOQKYTNQGJF-AAEUAGOBSA-N 1 0 323.349 2.628 20 5 DFBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000610420550 399366517 /nfs/dbraw/zinc/36/65/17/399366517.db2.gz PPKFUOYWJPMPFN-BBRMVZONSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610422079 399366716 /nfs/dbraw/zinc/36/67/16/399366716.db2.gz UTOSCBGSGGUXAP-QEORTHHSSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284928924 218238241 /nfs/dbraw/zinc/23/82/41/218238241.db2.gz DKQXFKYZFYMBQG-ABAIWWIYSA-N 1 0 307.394 2.625 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000601972876 399371866 /nfs/dbraw/zinc/37/18/66/399371866.db2.gz HLPWSLRCWJRSGP-ZDUSSCGKSA-N 1 0 319.405 2.720 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@@H](C(F)F)CC1 ZINC000601972378 399371887 /nfs/dbraw/zinc/37/18/87/399371887.db2.gz ZOGKTCBYGFLVMR-PKXJPQMGSA-N 1 0 312.316 2.964 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601972875 399372170 /nfs/dbraw/zinc/37/21/70/399372170.db2.gz HLPWSLRCWJRSGP-CYBMUJFWSA-N 1 0 319.405 2.720 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCO[C@@H](C(F)F)CC2)c(F)c1 ZINC000601974916 399372351 /nfs/dbraw/zinc/37/23/51/399372351.db2.gz XIPJWPRFCFTUCE-GFCCVEGCSA-N 1 0 304.268 2.590 20 5 DFBDRO CCn1cnnc1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000105928397 194172300 /nfs/dbraw/zinc/17/23/00/194172300.db2.gz XJZXQKUCUCPOCA-UHFFFAOYSA-N 1 0 315.377 2.586 20 5 DFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000285065248 218277271 /nfs/dbraw/zinc/27/72/71/218277271.db2.gz LTPRNOMFKHTTMN-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273736509 211017162 /nfs/dbraw/zinc/01/71/62/211017162.db2.gz NLSLWEJAXZWGQD-ZJUUUORDSA-N 1 0 314.769 2.926 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCC[C@H]2CCO)c(F)c1 ZINC000285337933 218386699 /nfs/dbraw/zinc/38/66/99/218386699.db2.gz OXWHOECYVKMRSR-XPTSAGLGSA-N 1 0 300.305 2.514 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285394892 218414679 /nfs/dbraw/zinc/41/46/79/218414679.db2.gz SXTRZKOJMYRXLT-NSHDSACASA-N 1 0 313.348 2.789 20 5 DFBDRO C[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285409717 218421613 /nfs/dbraw/zinc/42/16/13/218421613.db2.gz XRCHIQRONBVFCU-IUCAKERBSA-N 1 0 321.299 2.795 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000288598524 220273482 /nfs/dbraw/zinc/27/34/82/220273482.db2.gz YMIQGVRKZLYUKV-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000610674846 399391149 /nfs/dbraw/zinc/39/11/49/399391149.db2.gz KCNVBWJGAOKYHM-WCQYABFASA-N 1 0 320.393 2.673 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)[C@@H](C)C1 ZINC000610678653 399391967 /nfs/dbraw/zinc/39/19/67/399391967.db2.gz YVNZMSVZVMZXQN-NHYWBVRUSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000610677372 399392130 /nfs/dbraw/zinc/39/21/30/399392130.db2.gz MASIGRVCNRWTOL-HNNXBMFYSA-N 1 0 319.405 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](C[C@H]3CCCO3)CC2)c1 ZINC000610677373 399392417 /nfs/dbraw/zinc/39/24/17/399392417.db2.gz MASIGRVCNRWTOL-OAHLLOKOSA-N 1 0 319.405 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)nc2c1 ZINC000610683068 399392681 /nfs/dbraw/zinc/39/26/81/399392681.db2.gz MOJKWCSSYIJKGK-RISCZKNCSA-N 1 0 317.345 2.737 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2C[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000610716240 399396554 /nfs/dbraw/zinc/39/65/54/399396554.db2.gz FGBWETUELWYDHL-BXUZGUMPSA-N 1 0 321.377 2.524 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602126956 399398518 /nfs/dbraw/zinc/39/85/18/399398518.db2.gz YHYQMAFUDNLRIW-INIZCTEOSA-N 1 0 317.389 2.570 20 5 DFBDRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC000602133285 399399405 /nfs/dbraw/zinc/39/94/05/399399405.db2.gz RCBWHNRZLWCCHQ-ZDUSSCGKSA-N 1 0 317.389 2.648 20 5 DFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000602170921 399404532 /nfs/dbraw/zinc/40/45/32/399404532.db2.gz KCGIQWCXXLAXHF-KLPPZKSPSA-N 1 0 323.780 2.605 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610828034 399410638 /nfs/dbraw/zinc/41/06/38/399410638.db2.gz FYJKJBPPINUNDY-OAUYIBNBSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422721275 296321354 /nfs/dbraw/zinc/32/13/54/296321354.db2.gz UUZVVCGYQXVVHO-HOTGVXAUSA-N 1 0 313.357 2.838 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000610999286 399427623 /nfs/dbraw/zinc/42/76/23/399427623.db2.gz YTASJGUDWRLWKN-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000269002345 207158879 /nfs/dbraw/zinc/15/88/79/207158879.db2.gz VAZDTYAQOIGIQC-SWLSCSKDSA-N 1 0 323.393 2.573 20 5 DFBDRO C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020709 207170647 /nfs/dbraw/zinc/17/06/47/207170647.db2.gz ZZOSZVUJMXWBDW-WFASDCNBSA-N 1 0 309.435 2.683 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080812 399432897 /nfs/dbraw/zinc/43/28/97/399432897.db2.gz FDZAIMTXPYNGBQ-PVAVHDDUSA-N 1 0 317.433 2.990 20 5 DFBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157962216 197231286 /nfs/dbraw/zinc/23/12/86/197231286.db2.gz OXNOEWVSFMXSOW-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000611153936 399439317 /nfs/dbraw/zinc/43/93/17/399439317.db2.gz NZYJMOPURRDPCF-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000061031304 184160098 /nfs/dbraw/zinc/16/00/98/184160098.db2.gz LRRBGDJZIIOHEC-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000269063711 207212887 /nfs/dbraw/zinc/21/28/87/207212887.db2.gz UUOWVVMKXQYKLA-WMLDXEAASA-N 1 0 320.389 2.730 20 5 DFBDRO CCC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])[C@@H]1C[C@H](OCC)C1(C)C ZINC000602471214 399453410 /nfs/dbraw/zinc/45/34/10/399453410.db2.gz KKDOVBQCGKYVNM-KGLIPLIRSA-N 1 0 324.425 2.744 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000611268069 399454885 /nfs/dbraw/zinc/45/48/85/399454885.db2.gz CQILZCDZRIXVNA-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@@H](CCCC[NH3+])NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602489597 399460583 /nfs/dbraw/zinc/46/05/83/399460583.db2.gz AOIQHWKJRCYFCY-ZDUSSCGKSA-N 1 0 319.405 2.650 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000611282365 399457592 /nfs/dbraw/zinc/45/75/92/399457592.db2.gz NQPINANOQXQDAI-TZMCWYRMSA-N 1 0 319.405 2.590 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccsc3)CC2)cn1 ZINC000602502880 399461740 /nfs/dbraw/zinc/46/17/40/399461740.db2.gz AEMGVBIUHHCNMU-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[N@@H+]3CCC[C@@H]3C2)ccc1Cl ZINC000062940748 184260993 /nfs/dbraw/zinc/26/09/93/184260993.db2.gz KUSHCCZCSHKALP-CYBMUJFWSA-N 1 0 309.797 2.918 20 5 DFBDRO CC(C)[NH+](CCNCc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602505713 399462433 /nfs/dbraw/zinc/46/24/33/399462433.db2.gz AIMCZUNROCLEKW-UHFFFAOYSA-N 1 0 320.393 2.944 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CC(=O)NC2CCCC2)cccc1[N+](=O)[O-] ZINC000611335748 399462706 /nfs/dbraw/zinc/46/27/06/399462706.db2.gz ZDHQCCXQULCAMR-LBPRGKRZSA-N 1 0 305.378 2.613 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510568 399463999 /nfs/dbraw/zinc/46/39/99/399463999.db2.gz ZQVPBEYKXLYOEO-LBPRGKRZSA-N 1 0 318.377 2.700 20 5 DFBDRO CC(C)[N@H+](C)CCCNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511890 399464818 /nfs/dbraw/zinc/46/48/18/399464818.db2.gz VIUXJUGIWACFAM-UHFFFAOYSA-N 1 0 306.366 2.556 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC([NH+]3CCCC3)CC2)cc1 ZINC000065223046 184315005 /nfs/dbraw/zinc/31/50/05/184315005.db2.gz UWQLEZLMRYRHMN-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602517234 399466528 /nfs/dbraw/zinc/46/65/28/399466528.db2.gz CWOGXLLQDIOAMR-BZPMIXESSA-N 1 0 305.378 2.693 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602552600 399473847 /nfs/dbraw/zinc/47/38/47/399473847.db2.gz TXJWPEWYPGGORB-NSHDSACASA-N 1 0 306.366 2.556 20 5 DFBDRO CC[N@@H+]1CCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C[C@H]1C ZINC000611444781 399477682 /nfs/dbraw/zinc/47/76/82/399477682.db2.gz HTJWDAHPGJQNGJ-CYBMUJFWSA-N 1 0 314.389 2.982 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(CC)C[C@H]2C)cc1[N+](=O)[O-] ZINC000611475954 399480179 /nfs/dbraw/zinc/48/01/79/399480179.db2.gz ZWQTXBNGKXWIKF-IPYPFGDCSA-N 1 0 321.421 2.984 20 5 DFBDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602575853 399480233 /nfs/dbraw/zinc/48/02/33/399480233.db2.gz HGVXOAFTTZJUJA-MUWHJKNJSA-N 1 0 321.196 2.686 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CN(CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000611475957 399480070 /nfs/dbraw/zinc/48/00/70/399480070.db2.gz ZWQTXBNGKXWIKF-YDHLFZDLSA-N 1 0 321.421 2.984 20 5 DFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602581043 399482302 /nfs/dbraw/zinc/48/23/02/399482302.db2.gz GVVXSTQQCIHGQT-ZWNOBZJWSA-N 1 0 305.334 2.641 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H](O)Cc1ccccc1 ZINC000602583196 399483187 /nfs/dbraw/zinc/48/31/87/399483187.db2.gz RKMSJGRTWAMSHW-KSSFIOAISA-N 1 0 314.385 2.719 20 5 DFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000611515271 399485582 /nfs/dbraw/zinc/48/55/82/399485582.db2.gz SJWBLPHSAAIEDI-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000602610178 399489277 /nfs/dbraw/zinc/48/92/77/399489277.db2.gz GZRWTOUEWFCXGK-SJORKVTESA-N 1 0 304.390 2.932 20 5 DFBDRO COc1cc(C[NH+]2CCC3(CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000611516846 399486621 /nfs/dbraw/zinc/48/66/21/399486621.db2.gz UCMFJVIVHCPDDO-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO CC(C)(C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1ccc([N+](=O)[O-])cc1 ZINC000602599008 399487516 /nfs/dbraw/zinc/48/75/16/399487516.db2.gz NNKJCSFJECHTFM-MQMHXKEQSA-N 1 0 319.405 2.506 20 5 DFBDRO Cc1ccc([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602609758 399489686 /nfs/dbraw/zinc/48/96/86/399489686.db2.gz VJRWLCOZXLWKPA-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000346877059 284969242 /nfs/dbraw/zinc/96/92/42/284969242.db2.gz SCSHSWICDWUDOA-CZUORRHYSA-N 1 0 304.390 2.932 20 5 DFBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC(O)C1 ZINC000602628403 399495819 /nfs/dbraw/zinc/49/58/19/399495819.db2.gz XAFXXFFFHWUWMK-UHFFFAOYSA-N 1 0 318.295 2.816 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000602631301 399496612 /nfs/dbraw/zinc/49/66/12/399496612.db2.gz SFFQTMHCGPWDBY-KRWDZBQOSA-N 1 0 314.385 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCCN2C2CC2)cc1 ZINC000602635464 399498326 /nfs/dbraw/zinc/49/83/26/399498326.db2.gz YYWHBSQWYNJANJ-KRWDZBQOSA-N 1 0 303.406 2.744 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000422791562 296333809 /nfs/dbraw/zinc/33/38/09/296333809.db2.gz QIIURBVRQDXYRK-ZDUSSCGKSA-N 1 0 319.405 2.719 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3CCSCC3)nc2c1 ZINC000602636080 399498585 /nfs/dbraw/zinc/49/85/85/399498585.db2.gz FHPSSLQITOWVFQ-UHFFFAOYSA-N 1 0 306.391 2.704 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000611615764 399498988 /nfs/dbraw/zinc/49/89/88/399498988.db2.gz ZZLVCXKYSCLSAC-OKILXGFUSA-N 1 0 322.409 2.518 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000611616732 399499080 /nfs/dbraw/zinc/49/90/80/399499080.db2.gz AFYQGFPRNCRKGK-CQSZACIVSA-N 1 0 306.410 2.917 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2[C@H]2CCC[N@H+]2C)n1 ZINC000611616430 399499112 /nfs/dbraw/zinc/49/91/12/399499112.db2.gz OAEHXLWAOHETOR-KGLIPLIRSA-N 1 0 304.394 2.670 20 5 DFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)OC ZINC000602639077 399499387 /nfs/dbraw/zinc/49/93/87/399499387.db2.gz ZJFIELDMSHPJIS-IINYFYTJSA-N 1 0 306.366 2.622 20 5 DFBDRO CO[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602652315 399503285 /nfs/dbraw/zinc/50/32/85/399503285.db2.gz WSHLXZLOBGJIDX-KRWDZBQOSA-N 1 0 322.405 2.511 20 5 DFBDRO CC(C)SCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602654253 399503797 /nfs/dbraw/zinc/50/37/97/399503797.db2.gz KVHBNSPHVDWWHR-UHFFFAOYSA-N 1 0 324.450 2.690 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422827978 296340410 /nfs/dbraw/zinc/34/04/10/296340410.db2.gz FNMOYAFQDCLNSF-ZDUSSCGKSA-N 1 0 307.394 2.821 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CCCSC3)nc2c1 ZINC000602664225 399508652 /nfs/dbraw/zinc/50/86/52/399508652.db2.gz XJOABVNGKFVZRC-JTQLQIEISA-N 1 0 307.375 2.969 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2noc3c2CCCC3)cc1 ZINC000602664678 399509232 /nfs/dbraw/zinc/50/92/32/399509232.db2.gz PLASQRRRRBYVKS-UHFFFAOYSA-N 1 0 301.346 2.794 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422852843 296344983 /nfs/dbraw/zinc/34/49/83/296344983.db2.gz RIMBDABAHDJBLX-WBMJQRKESA-N 1 0 319.405 2.918 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC3(F)CCC3)CC2)cn1 ZINC000602667814 399511483 /nfs/dbraw/zinc/51/14/83/399511483.db2.gz UESCSXKDPRHRTN-UHFFFAOYSA-N 1 0 322.384 2.831 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347395966 285029939 /nfs/dbraw/zinc/02/99/39/285029939.db2.gz CWNCIDQBMACKKL-LBPRGKRZSA-N 1 0 315.377 2.824 20 5 DFBDRO CCc1ccc([C@@H]2CC[N@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)cc1 ZINC000602671061 399513906 /nfs/dbraw/zinc/51/39/06/399513906.db2.gz TZQSLOQFTZJCNF-OAHLLOKOSA-N 1 0 314.389 2.880 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000422895092 296352227 /nfs/dbraw/zinc/35/22/27/296352227.db2.gz DVQSVJQBVKLKMA-CQSZACIVSA-N 1 0 307.394 2.657 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000422894991 296352256 /nfs/dbraw/zinc/35/22/56/296352256.db2.gz DVQSVJQBVKLKMA-AWEZNQCLSA-N 1 0 307.394 2.657 20 5 DFBDRO CCC[NH+]1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000119888805 195056208 /nfs/dbraw/zinc/05/62/08/195056208.db2.gz JTTYFOIOEOMCOW-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602675533 399515659 /nfs/dbraw/zinc/51/56/59/399515659.db2.gz UEVZOWFLUNXZFF-QMTHXVAHSA-N 1 0 307.350 2.887 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H]1CCSC1 ZINC000120050755 195088197 /nfs/dbraw/zinc/08/81/97/195088197.db2.gz FEKHELXAIWGARC-CYBMUJFWSA-N 1 0 323.418 2.669 20 5 DFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602679651 399518262 /nfs/dbraw/zinc/51/82/62/399518262.db2.gz BHYWBWDMHIDQLX-BBRMVZONSA-N 1 0 318.421 2.840 20 5 DFBDRO CC[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602695592 399524522 /nfs/dbraw/zinc/52/45/22/399524522.db2.gz AXLBXPFHRXYNJI-PWSUYJOCSA-N 1 0 305.334 2.783 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170710240 285080572 /nfs/dbraw/zinc/08/05/72/285080572.db2.gz VRJFCAGXKGMSPZ-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CO1 ZINC000602702197 399528970 /nfs/dbraw/zinc/52/89/70/399528970.db2.gz JBKADBICHHGSQL-RNFRBKRXSA-N 1 0 321.196 2.686 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000157296351 285079259 /nfs/dbraw/zinc/07/92/59/285079259.db2.gz NHHZDKTUTVNZHD-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO NC(=O)CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000602723800 399541524 /nfs/dbraw/zinc/54/15/24/399541524.db2.gz TUKAZQWXLGOPCI-UHFFFAOYSA-N 1 0 319.405 2.553 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)ccn1 ZINC000347637070 285106512 /nfs/dbraw/zinc/10/65/12/285106512.db2.gz HQSKFWMUGMPCNX-GFCCVEGCSA-N 1 0 317.345 2.728 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H]3CCOC3)CC2)cc1 ZINC000374621542 285110415 /nfs/dbraw/zinc/11/04/15/285110415.db2.gz ISLARJSNIZPVDB-MRXNPFEDSA-N 1 0 304.390 2.886 20 5 DFBDRO Cc1ccc(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)o1 ZINC000602739392 399550426 /nfs/dbraw/zinc/55/04/26/399550426.db2.gz DMKUZSMXFFAKPD-UHFFFAOYSA-N 1 0 316.361 2.650 20 5 DFBDRO O=[N+]([O-])c1cc(CN[C@H]2CCC[NH2+]CC2)cc(C(F)(F)F)c1 ZINC000423091180 296377207 /nfs/dbraw/zinc/37/72/07/296377207.db2.gz WWZOJTNVBCYWAP-LBPRGKRZSA-N 1 0 317.311 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)cc1C(F)(F)F ZINC000319271167 285129590 /nfs/dbraw/zinc/12/95/90/285129590.db2.gz ARNYKOKXSVAIEO-CYBMUJFWSA-N 1 0 315.295 2.803 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000602773649 399566989 /nfs/dbraw/zinc/56/69/89/399566989.db2.gz WHBWVHYBYATNRG-CQSZACIVSA-N 1 0 318.352 2.728 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000602778130 399568246 /nfs/dbraw/zinc/56/82/46/399568246.db2.gz FKUSLZPMDLQSIS-BBRMVZONSA-N 1 0 314.389 2.978 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCc3occc3C2)c1 ZINC000288762281 220399896 /nfs/dbraw/zinc/39/98/96/220399896.db2.gz IZPIQYYEDOPNKC-OAHLLOKOSA-N 1 0 302.330 2.670 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1nccs1 ZINC000157832727 197218474 /nfs/dbraw/zinc/21/84/74/197218474.db2.gz VBOMJNGDSKDMEY-UHFFFAOYSA-N 1 0 307.375 2.605 20 5 DFBDRO C[C@H]1OCC[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602783257 399572089 /nfs/dbraw/zinc/57/20/89/399572089.db2.gz KDOOFALRVINOOG-KGLIPLIRSA-N 1 0 320.389 2.863 20 5 DFBDRO CCOCCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000157743782 197212073 /nfs/dbraw/zinc/21/20/73/197212073.db2.gz MFIHSECCJSDMLM-HNNXBMFYSA-N 1 0 308.378 2.531 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCCCC2)s1 ZINC000376754988 285173422 /nfs/dbraw/zinc/17/34/22/285173422.db2.gz UXXMVUDFTDZCTL-GFCCVEGCSA-N 1 0 310.423 2.896 20 5 DFBDRO CCOc1ccccc1[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602802100 399581460 /nfs/dbraw/zinc/58/14/60/399581460.db2.gz OZENZYBPNUABJD-LBPRGKRZSA-N 1 0 318.377 2.849 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120320644 195142740 /nfs/dbraw/zinc/14/27/40/195142740.db2.gz FPWNCJUWIJZYMV-XHSDSOJGSA-N 1 0 320.389 2.719 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000602806022 399582584 /nfs/dbraw/zinc/58/25/84/399582584.db2.gz RPFULOZKBBNOCF-NSHDSACASA-N 1 0 306.341 2.898 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000301291427 285172853 /nfs/dbraw/zinc/17/28/53/285172853.db2.gz UVKLJBIASNJNBD-LLVKDONJSA-N 1 0 310.785 2.708 20 5 DFBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602815127 399585839 /nfs/dbraw/zinc/58/58/39/399585839.db2.gz CBJBTYRVNNIDRR-STQMWFEESA-N 1 0 312.439 2.754 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cc(C)ccc1C ZINC000602817408 399587756 /nfs/dbraw/zinc/58/77/56/399587756.db2.gz BCZYDNSXEJOCFY-UHFFFAOYSA-N 1 0 302.378 2.849 20 5 DFBDRO NC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268790 296398938 /nfs/dbraw/zinc/39/89/38/296398938.db2.gz DYGKZTMIAPDXMT-KBMXLJTQSA-N 1 0 303.406 2.633 20 5 DFBDRO CC[C@@H]([NH2+]CCCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000271502941 208962256 /nfs/dbraw/zinc/96/22/56/208962256.db2.gz RBMGOMRZRULVLF-CQSZACIVSA-N 1 0 304.350 2.960 20 5 DFBDRO CCn1cc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000271549572 209003644 /nfs/dbraw/zinc/00/36/44/209003644.db2.gz VOAPCGBBUGRWAI-MRXNPFEDSA-N 1 0 314.389 2.922 20 5 DFBDRO C[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155036282 197016443 /nfs/dbraw/zinc/01/64/43/197016443.db2.gz QKQRYPSGHVYWBA-YNEHKIRRSA-N 1 0 305.378 2.948 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)c1 ZINC000294706723 224181458 /nfs/dbraw/zinc/18/14/58/224181458.db2.gz BNXZMEBQZMWHRQ-WBVHZDCISA-N 1 0 313.357 3.000 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000294794290 224225632 /nfs/dbraw/zinc/22/56/32/224225632.db2.gz MGDRXPRQDOFWQC-QGZVFWFLSA-N 1 0 300.358 2.942 20 5 DFBDRO COC(=O)C1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000296810294 533189608 /nfs/dbraw/zinc/18/96/08/533189608.db2.gz PZMDZGPEVCAARA-UHFFFAOYSA-N 1 0 304.346 2.512 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602888155 399615970 /nfs/dbraw/zinc/61/59/70/399615970.db2.gz LHVNSDCLPILJSD-UKRRQHHQSA-N 1 0 315.377 2.975 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+](C)C)C1 ZINC000602887426 399616119 /nfs/dbraw/zinc/61/61/19/399616119.db2.gz WLVPIMYDFXLKKU-OAHLLOKOSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152709466 196817820 /nfs/dbraw/zinc/81/78/20/196817820.db2.gz JTCBTGIDVCQTEU-OKILXGFUSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271614779 209062018 /nfs/dbraw/zinc/06/20/18/209062018.db2.gz CCWODNMDNUKNNP-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO COc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000271614781 209062906 /nfs/dbraw/zinc/06/29/06/209062906.db2.gz CCWODNMDNUKNNP-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO COCc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289789113 221226054 /nfs/dbraw/zinc/22/60/54/221226054.db2.gz LUBIAJBFYHMPRQ-UHFFFAOYSA-N 1 0 315.373 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000423682212 296438652 /nfs/dbraw/zinc/43/86/52/296438652.db2.gz GJMKRSPRLJBOMU-UKRRQHHQSA-N 1 0 317.389 2.542 20 5 DFBDRO Cc1nnc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])s1 ZINC000289823253 221248541 /nfs/dbraw/zinc/24/85/41/221248541.db2.gz MGOTZNIZJWWYIO-GQCTYLIASA-N 1 0 304.375 2.600 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](CC)CC1 ZINC000289842902 221264371 /nfs/dbraw/zinc/26/43/71/221264371.db2.gz PVYIZSPFASSATA-UHFFFAOYSA-N 1 0 320.393 2.763 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1[C@@H]1CCCO1 ZINC000289911560 221311874 /nfs/dbraw/zinc/31/18/74/221311874.db2.gz UFFVTAPRMZCIMD-HOTGVXAUSA-N 1 0 320.389 2.863 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000289946441 221334630 /nfs/dbraw/zinc/33/46/30/221334630.db2.gz SUYCIYUIMAVVHG-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289996020 221368824 /nfs/dbraw/zinc/36/88/24/221368824.db2.gz YQSOPCMHXWAJKD-NSHDSACASA-N 1 0 300.305 2.951 20 5 DFBDRO C[C@@H]1C[C@H](CC(F)(F)F)[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602967288 399642452 /nfs/dbraw/zinc/64/24/52/399642452.db2.gz FTSAJIJOSKSMOH-OUAUKWLOSA-N 1 0 320.315 2.843 20 5 DFBDRO Cc1nc(CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)sc1C ZINC000602963327 399641458 /nfs/dbraw/zinc/64/14/58/399641458.db2.gz VPYTWUJPOXRCKU-OAHLLOKOSA-N 1 0 321.402 2.665 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000602997773 399655181 /nfs/dbraw/zinc/65/51/81/399655181.db2.gz QMPQIPJJCSCKMO-XHSDSOJGSA-N 1 0 320.389 2.729 20 5 DFBDRO CCC1([NH+](C)C)CCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000602967979 399642745 /nfs/dbraw/zinc/64/27/45/399642745.db2.gz VNUYTVGXQKNJBN-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO CCC1([NH+](C)C)CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000602966621 399642765 /nfs/dbraw/zinc/64/27/65/399642765.db2.gz LYMGGTQNTJWQKA-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@](O)(CC)C2)ccc1[N+](=O)[O-] ZINC000602983680 399649418 /nfs/dbraw/zinc/64/94/18/399649418.db2.gz QEZXLGQCTIZNPG-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000603212761 399711631 /nfs/dbraw/zinc/71/16/31/399711631.db2.gz AKJZFVNZPAFVQL-QMTHXVAHSA-N 1 0 303.366 2.842 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCO[C@@H](c2ccco2)C1 ZINC000120950328 195269606 /nfs/dbraw/zinc/26/96/06/195269606.db2.gz DFRCXXQPXORLOC-MRXNPFEDSA-N 1 0 318.329 2.640 20 5 DFBDRO CS[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000128056029 195932114 /nfs/dbraw/zinc/93/21/14/195932114.db2.gz RGFDCSGWZUJKBD-NSHDSACASA-N 1 0 320.418 2.836 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC=CCC1 ZINC000355564714 533408297 /nfs/dbraw/zinc/40/82/97/533408297.db2.gz LCHITCIFGOBXRF-NTCAYCPXSA-N 1 0 301.390 2.850 20 5 DFBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000052160034 425884175 /nfs/dbraw/zinc/88/41/75/425884175.db2.gz IBCFYDRSKWGYHM-MNOVXSKESA-N 1 0 323.422 2.836 20 5 DFBDRO COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047066 533567570 /nfs/dbraw/zinc/56/75/70/533567570.db2.gz SUIZPUBHRXYZRX-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423938112 296468285 /nfs/dbraw/zinc/46/82/85/296468285.db2.gz HRFOPUKUZKINEZ-CQSZACIVSA-N 1 0 319.405 2.767 20 5 DFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000603411409 399769378 /nfs/dbraw/zinc/76/93/78/399769378.db2.gz CSEZZNXUUUUHCV-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000603437491 399776142 /nfs/dbraw/zinc/77/61/42/399776142.db2.gz NPLTZMQSGFDMDD-OTDNITJGSA-N 1 0 316.304 2.613 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000423981589 296471283 /nfs/dbraw/zinc/47/12/83/296471283.db2.gz QUYIOAHHVHROGQ-ZDUSSCGKSA-N 1 0 319.386 2.649 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1[N+](=O)[O-] ZINC000424189988 296491851 /nfs/dbraw/zinc/49/18/51/296491851.db2.gz NLYBUKDUKDZMLS-AWEZNQCLSA-N 1 0 319.405 2.676 20 5 DFBDRO CSc1ccc(C(=O)NC[C@@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000603875610 399811488 /nfs/dbraw/zinc/81/14/88/399811488.db2.gz VCGAEYVHDCDZSJ-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO CSc1ccc(C(=O)NC[C@H](C)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000603875611 399811538 /nfs/dbraw/zinc/81/15/38/399811538.db2.gz VCGAEYVHDCDZSJ-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000195314954 542864741 /nfs/dbraw/zinc/86/47/41/542864741.db2.gz GFTSXGXMUBQXQB-WDMOLILDSA-N 1 0 305.378 2.608 20 5 DFBDRO CC1(C)CC[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)O1 ZINC000186662438 134444491 /nfs/dbraw/zinc/44/44/91/134444491.db2.gz WLEUJONOMRIRPQ-INIZCTEOSA-N 1 0 319.405 2.674 20 5 DFBDRO CC1(C)CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[NH2+]1 ZINC000212604280 542871334 /nfs/dbraw/zinc/87/13/34/542871334.db2.gz DDVBUODPFFSFRQ-UHFFFAOYSA-N 1 0 303.284 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC(C[NH+]3CCCCC3)CC2)nc1 ZINC000604482918 399849040 /nfs/dbraw/zinc/84/90/40/399849040.db2.gz OYOZALFIHLRQTO-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO COc1ccc(C)cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348894224 285714604 /nfs/dbraw/zinc/71/46/04/285714604.db2.gz NWZMDNPTFRRKMC-UHFFFAOYSA-N 1 0 315.373 2.877 20 5 DFBDRO COc1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])ccc1C ZINC000348923071 285722318 /nfs/dbraw/zinc/72/23/18/285722318.db2.gz RTNBCDJBPSPEFH-UHFFFAOYSA-N 1 0 315.373 2.877 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604556778 399854994 /nfs/dbraw/zinc/85/49/94/399854994.db2.gz JEPSDXVQRRSGQY-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO CCCc1csc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])n1 ZINC000348935947 285726266 /nfs/dbraw/zinc/72/62/66/285726266.db2.gz RFFAQTQUZKNLEQ-UHFFFAOYSA-N 1 0 320.418 2.969 20 5 DFBDRO CC[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861509 145190846 /nfs/dbraw/zinc/19/08/46/145190846.db2.gz MQEABHRCQAMCOZ-CQSZACIVSA-N 1 0 323.418 2.751 20 5 DFBDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000414007943 543323805 /nfs/dbraw/zinc/32/38/05/543323805.db2.gz UHUSGCNETZVMFV-CYBMUJFWSA-N 1 0 319.405 2.716 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000174189245 145371033 /nfs/dbraw/zinc/37/10/33/145371033.db2.gz QZNZAIXECNWOFZ-CHWSQXEVSA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000176221009 145434007 /nfs/dbraw/zinc/43/40/07/145434007.db2.gz YKRLBSGGBZIREP-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)c1ccsc1 ZINC000349571635 285889750 /nfs/dbraw/zinc/88/97/50/285889750.db2.gz WKSBBQSGLZGAKZ-MFBWXBCUSA-N 1 0 304.371 2.993 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000191373725 145889183 /nfs/dbraw/zinc/88/91/83/145889183.db2.gz ZYCYSGBWPBXHHW-UHFFFAOYSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000237865040 146054204 /nfs/dbraw/zinc/05/42/04/146054204.db2.gz QTUZYBUAOYWOIS-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245201076 146063355 /nfs/dbraw/zinc/06/33/55/146063355.db2.gz FHBRXXSIFHDCCZ-MGPQQGTHSA-N 1 0 319.405 2.515 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245397748 146064585 /nfs/dbraw/zinc/06/45/85/146064585.db2.gz QGEMRPTTYKPRQQ-CHWSQXEVSA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245902549 146108582 /nfs/dbraw/zinc/10/85/82/146108582.db2.gz LJJKMJYGIGAQBC-QWHCGFSZSA-N 1 0 305.378 2.901 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000246731118 146152370 /nfs/dbraw/zinc/15/23/70/146152370.db2.gz MFFPVQKVFXAQOA-ZIAGYGMSSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000249063664 146185751 /nfs/dbraw/zinc/18/57/51/146185751.db2.gz JVRAQMAUAZZKRY-SGMGOOAPSA-N 1 0 308.378 2.805 20 5 DFBDRO COC(=O)C[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255741313 146235049 /nfs/dbraw/zinc/23/50/49/146235049.db2.gz QZMBHYKJXCMGDX-HJHHMULASA-N 1 0 304.346 2.636 20 5 DFBDRO Cc1ccc(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000261617142 146247385 /nfs/dbraw/zinc/24/73/85/146247385.db2.gz BILLZOYHPDKKPK-DLBZAZTESA-N 1 0 311.385 2.830 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261623364 146248614 /nfs/dbraw/zinc/24/86/14/146248614.db2.gz CEDPPYIXJAEQED-VHSXEESVSA-N 1 0 319.386 2.619 20 5 DFBDRO COc1ccc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000261642205 146252043 /nfs/dbraw/zinc/25/20/43/146252043.db2.gz DXSHPVVIUHBWRR-VXGBXAGGSA-N 1 0 321.377 2.568 20 5 DFBDRO CCOc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1[N+](=O)[O-] ZINC000261712316 146264297 /nfs/dbraw/zinc/26/42/97/146264297.db2.gz IZPXYFVJQXAAPM-UHFFFAOYSA-N 1 0 318.333 2.772 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261713388 146264316 /nfs/dbraw/zinc/26/43/16/146264316.db2.gz LHWORYDBZQMMSR-AWEZNQCLSA-N 1 0 317.389 2.507 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000261718356 146264833 /nfs/dbraw/zinc/26/48/33/146264833.db2.gz LTZOFXUFAUTACF-UHFFFAOYSA-N 1 0 323.368 2.776 20 5 DFBDRO [NH3+]C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1CCCC1 ZINC000261808055 146279945 /nfs/dbraw/zinc/27/99/45/146279945.db2.gz ZMKNTSCELSNNKN-SNVBAGLBSA-N 1 0 307.379 2.529 20 5 DFBDRO COc1cc(NCc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])cc1F ZINC000261873807 146292833 /nfs/dbraw/zinc/29/28/33/146292833.db2.gz LOPGVMTXDMRZSV-UHFFFAOYSA-N 1 0 317.320 2.958 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CCC[NH2+]C1 ZINC000261988346 146316651 /nfs/dbraw/zinc/31/66/51/146316651.db2.gz SRRWFUQTNKZZAG-NEPJUHHUSA-N 1 0 300.362 2.943 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[C@H]1CCC[NH2+]C1 ZINC000261987317 146316736 /nfs/dbraw/zinc/31/67/36/146316736.db2.gz AZOGLOSAHVFKLN-SECBINFHSA-N 1 0 318.299 2.810 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH2+]C1CCCCCC1 ZINC000262117831 146335413 /nfs/dbraw/zinc/33/54/13/146335413.db2.gz KLPLDGSDARCDRM-UHFFFAOYSA-N 1 0 309.414 2.844 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@H]1c1ccncc1 ZINC000262151700 146339298 /nfs/dbraw/zinc/33/92/98/146339298.db2.gz ZZHIBQZNOGHQFA-YZTRRJNXSA-N 1 0 324.384 2.650 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000262644647 146379447 /nfs/dbraw/zinc/37/94/47/146379447.db2.gz ITKCSTKKULSWEX-LBPRGKRZSA-N 1 0 301.346 2.649 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000354375584 147013759 /nfs/dbraw/zinc/01/37/59/147013759.db2.gz BQFLKBKKEAUDJS-HNNXBMFYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354409334 147026617 /nfs/dbraw/zinc/02/66/17/147026617.db2.gz SEQGLVDCLWXMPL-CQSZACIVSA-N 1 0 323.368 2.728 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354413749 147027739 /nfs/dbraw/zinc/02/77/39/147027739.db2.gz YFTXMSTZHHCUNW-GXTWGEPZSA-N 1 0 305.378 2.540 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354413756 147028639 /nfs/dbraw/zinc/02/86/39/147028639.db2.gz YFTXMSTZHHCUNW-TZMCWYRMSA-N 1 0 305.378 2.540 20 5 DFBDRO CO[C@H](C)C[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000354451797 147041998 /nfs/dbraw/zinc/04/19/98/147041998.db2.gz LMCUONMWJXKLFK-CYBMUJFWSA-N 1 0 323.393 2.587 20 5 DFBDRO CC[NH+](CC)CCCC1CCN(c2ncc([N+](=O)[O-])cn2)CC1 ZINC000354565277 147080135 /nfs/dbraw/zinc/08/01/35/147080135.db2.gz KAXYAIBAGZMVME-UHFFFAOYSA-N 1 0 321.425 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000603404433 543472279 /nfs/dbraw/zinc/47/22/79/543472279.db2.gz ZDMNVHLBFDRNQN-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO CC[C@H]([NH2+]CCn1cnnc1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000358045215 148224361 /nfs/dbraw/zinc/22/43/61/148224361.db2.gz YSYBGBHOCFUIGU-HNNXBMFYSA-N 1 0 315.377 2.805 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(C(N)=O)CC1 ZINC000358185136 148276438 /nfs/dbraw/zinc/27/64/38/148276438.db2.gz XLDDHRKWZJEBBS-LRVUVFPRSA-N 1 0 319.405 2.550 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cnc(C3CC3)nc2)c(F)c1 ZINC000350284447 286024099 /nfs/dbraw/zinc/02/40/99/286024099.db2.gz ABRSMEXTWUSGCQ-UHFFFAOYSA-N 1 0 316.336 2.734 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000358311075 148325628 /nfs/dbraw/zinc/32/56/28/148325628.db2.gz KFPHGTZTDPQPLR-CQSZACIVSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)(F)F ZINC000358358351 148340634 /nfs/dbraw/zinc/34/06/34/148340634.db2.gz RVKMTYYNDFZGMS-ZYHUDNBSSA-N 1 0 320.311 2.819 20 5 DFBDRO Cc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000358448990 148363100 /nfs/dbraw/zinc/36/31/00/148363100.db2.gz BRXUQHGVLWCMRH-UHFFFAOYSA-N 1 0 318.377 2.677 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360987385 149000192 /nfs/dbraw/zinc/00/01/92/149000192.db2.gz ZIDVNVHDVRGTNW-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000361090576 149026668 /nfs/dbraw/zinc/02/66/68/149026668.db2.gz YDKDZTZPUWYJKN-UHFFFAOYSA-N 1 0 314.389 2.805 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@@H]3CCCCC[C@H]32)c1 ZINC000361343157 149090277 /nfs/dbraw/zinc/09/02/77/149090277.db2.gz VBSLSAWTSZFYAP-YSVLISHTSA-N 1 0 320.389 2.599 20 5 DFBDRO CCOc1cc(C[N@H+](CC2CCC2)[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000361500188 149131517 /nfs/dbraw/zinc/13/15/17/149131517.db2.gz BBXYLUNOAWUWHN-CYBMUJFWSA-N 1 0 322.405 2.976 20 5 DFBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000361554038 149147668 /nfs/dbraw/zinc/14/76/68/149147668.db2.gz RFEWNOAELXQGKZ-AWEZNQCLSA-N 1 0 319.405 2.952 20 5 DFBDRO Cc1c(CN2CCC[C@@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361650795 149180293 /nfs/dbraw/zinc/18/02/93/149180293.db2.gz BWBUASQCDJLJJG-MRXNPFEDSA-N 1 0 303.406 2.963 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000361766333 149213025 /nfs/dbraw/zinc/21/30/25/149213025.db2.gz RXKOVDSVWSRQQQ-XOKHGSTOSA-N 1 0 317.433 2.988 20 5 DFBDRO COc1cccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000361929050 149258261 /nfs/dbraw/zinc/25/82/61/149258261.db2.gz YEVSKSWODVIXCM-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO CCN(C(=O)/C=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000493113295 299717869 /nfs/dbraw/zinc/71/78/69/299717869.db2.gz FUWDRESPXBQUTD-WHLNPGIBSA-N 1 0 317.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000367049902 149536292 /nfs/dbraw/zinc/53/62/92/149536292.db2.gz KBINFZVRYHDUJS-UKRRQHHQSA-N 1 0 315.377 2.502 20 5 DFBDRO Cc1nc(CNc2nc(C)ccc2[N+](=O)[O-])c2n1CCCC2 ZINC000371309183 150020871 /nfs/dbraw/zinc/02/08/71/150020871.db2.gz ACGAHEQUYLLFTK-UHFFFAOYSA-N 1 0 301.350 2.752 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000372764867 150182436 /nfs/dbraw/zinc/18/24/36/150182436.db2.gz ZJXZBEIPDVGWLL-LLVKDONJSA-N 1 0 323.418 2.745 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000372933568 150204221 /nfs/dbraw/zinc/20/42/21/150204221.db2.gz ZYULMRRHQHKTKK-JKSUJKDBSA-N 1 0 317.389 2.602 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000372977087 150211185 /nfs/dbraw/zinc/21/11/85/150211185.db2.gz IXYXFGAXZOPWQQ-ZBFHGGJFSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000373167958 150240865 /nfs/dbraw/zinc/24/08/65/150240865.db2.gz XSIQXPHMCNYRIL-YEICVZNQSA-N 1 0 318.373 2.536 20 5 DFBDRO Cc1ccccc1C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373232174 150250490 /nfs/dbraw/zinc/25/04/90/150250490.db2.gz QGJIYOCEDSDCTC-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO COc1cc(C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632283 286176091 /nfs/dbraw/zinc/17/60/91/286176091.db2.gz WZIRLXULXBGZMV-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000373941831 150281753 /nfs/dbraw/zinc/28/17/53/150281753.db2.gz VWYUFBFVMXLYLT-OAHLLOKOSA-N 1 0 312.373 2.649 20 5 DFBDRO C[NH+](C)CCC1CCN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000351811826 286224132 /nfs/dbraw/zinc/22/41/32/286224132.db2.gz CPSFRIHIENSAJN-UHFFFAOYSA-N 1 0 309.385 2.898 20 5 DFBDRO CCOC(=O)C1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000351932842 286248896 /nfs/dbraw/zinc/24/88/96/286248896.db2.gz YXUDIAZZAKBXIC-ZDUSSCGKSA-N 1 0 320.389 2.849 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@@H]1CCCO1 ZINC000351958042 286255519 /nfs/dbraw/zinc/25/55/19/286255519.db2.gz LYXFVSPNHAXUIK-JKSUJKDBSA-N 1 0 320.389 2.863 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H](CO)c2ccsc2)cc1 ZINC000352034193 286275562 /nfs/dbraw/zinc/27/55/62/286275562.db2.gz ZAAPDFFQMOLAAE-OAHLLOKOSA-N 1 0 322.386 2.748 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000352378754 286358324 /nfs/dbraw/zinc/35/83/24/286358324.db2.gz QBCYNOIJXMLFLT-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000173704969 292283306 /nfs/dbraw/zinc/28/33/06/292283306.db2.gz SEJOTAABIKBAHS-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000352452771 286377994 /nfs/dbraw/zinc/37/79/94/286377994.db2.gz BFCCHSGZUBGDCR-ZDUSSCGKSA-N 1 0 319.405 2.884 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000353280246 286599777 /nfs/dbraw/zinc/59/97/77/286599777.db2.gz UZNAFLBLXJDGOH-SNVBAGLBSA-N 1 0 302.325 2.595 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000183253177 158013566 /nfs/dbraw/zinc/01/35/66/158013566.db2.gz UCRCLYOYDMEALM-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000184475618 158032408 /nfs/dbraw/zinc/03/24/08/158032408.db2.gz MULJCIQCYBPFMQ-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246366768 158088642 /nfs/dbraw/zinc/08/86/42/158088642.db2.gz YCDXUYRBGWRNTK-OAGGEKHMSA-N 1 0 322.430 2.988 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493596332 299798871 /nfs/dbraw/zinc/79/88/71/299798871.db2.gz UUBICBMEZDRQFA-KVPUOBJLSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408894 158174058 /nfs/dbraw/zinc/17/40/58/158174058.db2.gz FNOQKOYJBWRQAZ-PBHICJAKSA-N 1 0 321.421 2.602 20 5 DFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248446802 158177350 /nfs/dbraw/zinc/17/73/50/158177350.db2.gz GZVHQFIRANHBRG-CHWSQXEVSA-N 1 0 320.345 2.621 20 5 DFBDRO COC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000265830611 158207884 /nfs/dbraw/zinc/20/78/84/158207884.db2.gz UIPULGYGBUOFAK-CYBMUJFWSA-N 1 0 308.378 2.850 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1[N+](=O)[O-] ZINC000355128017 158279689 /nfs/dbraw/zinc/27/96/89/158279689.db2.gz HCYOOMXNZPDRRR-UONOGXRCSA-N 1 0 306.362 2.604 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000357037505 158353817 /nfs/dbraw/zinc/35/38/17/158353817.db2.gz LXQUPWWYQVOUME-LBPRGKRZSA-N 1 0 319.405 2.646 20 5 DFBDRO CC[NH+](CC)Cc1ccccc1CNc1ccncc1[N+](=O)[O-] ZINC000357038411 158353908 /nfs/dbraw/zinc/35/39/08/158353908.db2.gz MLXZILBLQCGIFJ-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(C)n1 ZINC000373294352 158722478 /nfs/dbraw/zinc/72/24/78/158722478.db2.gz RNPBFHKVRWOHAK-UHFFFAOYSA-N 1 0 315.377 2.640 20 5 DFBDRO Cc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000261757332 292413965 /nfs/dbraw/zinc/41/39/65/292413965.db2.gz PLWFNRRKKBIZQV-OAHLLOKOSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373145594 287145085 /nfs/dbraw/zinc/14/50/85/287145085.db2.gz NVXZXUHLVUMIRB-ZDUSSCGKSA-N 1 0 317.389 2.600 20 5 DFBDRO CC(C)COC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130822998 196113263 /nfs/dbraw/zinc/11/32/63/196113263.db2.gz JUVLHKOLJZCCEL-QGZVFWFLSA-N 1 0 322.405 2.593 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000131934813 196211747 /nfs/dbraw/zinc/21/17/47/196211747.db2.gz NILGSAPMFLWCRC-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)c1 ZINC000132211958 196235105 /nfs/dbraw/zinc/23/51/05/196235105.db2.gz JXGMSTPJJHBQTO-LSDHHAIUSA-N 1 0 300.362 2.717 20 5 DFBDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000133203912 196320691 /nfs/dbraw/zinc/32/06/91/196320691.db2.gz ILFHNNBBXHQHPS-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO CC[C@]1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000134546421 196401373 /nfs/dbraw/zinc/40/13/73/196401373.db2.gz KWZGJACAYWIBIF-MLGOLLRUSA-N 1 0 305.378 2.613 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134929130 196432168 /nfs/dbraw/zinc/43/21/68/196432168.db2.gz LHQPEFZWDJDQJD-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CN(C(=O)C[NH2+][C@@H]1CC2CCC1CC2)c1ccc([N+](=O)[O-])cc1 ZINC000433080245 296898433 /nfs/dbraw/zinc/89/84/33/296898433.db2.gz BPLLLWYSDFWRED-SEEARECTSA-N 1 0 317.389 2.726 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295787538 225236049 /nfs/dbraw/zinc/23/60/49/225236049.db2.gz ZKFIBHCWLVKXHR-KGLIPLIRSA-N 1 0 306.362 2.806 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCc2c1cccc2O ZINC000296688086 226124302 /nfs/dbraw/zinc/12/43/02/226124302.db2.gz LVBQWQCQWXFHNM-AWEZNQCLSA-N 1 0 314.341 2.956 20 5 DFBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327749 222317151 /nfs/dbraw/zinc/31/71/51/222317151.db2.gz VJGBOQZDDXKRRN-AAEUAGOBSA-N 1 0 323.393 2.587 20 5 DFBDRO CCOC(=O)CC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000434612736 296942984 /nfs/dbraw/zinc/94/29/84/296942984.db2.gz VWHFYQWPKCZOPJ-UHFFFAOYSA-N 1 0 306.362 2.950 20 5 DFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000299624628 229273254 /nfs/dbraw/zinc/27/32/54/229273254.db2.gz IGHQVHKSKHSBIF-UHFFFAOYSA-N 1 0 323.393 2.772 20 5 DFBDRO Cc1nn(C)c(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000301211178 229564087 /nfs/dbraw/zinc/56/40/87/229564087.db2.gz VEMCJZPJAGQMFG-CYBMUJFWSA-N 1 0 321.425 2.846 20 5 DFBDRO Cc1ccnc(NCC[N@@H+]2CCc3ccccc3C2)c1[N+](=O)[O-] ZINC000301278018 229603010 /nfs/dbraw/zinc/60/30/10/229603010.db2.gz JIGPUZOYOYKIDE-UHFFFAOYSA-N 1 0 312.373 2.768 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302046594 230059522 /nfs/dbraw/zinc/05/95/22/230059522.db2.gz LDECMQKDQTZEKN-LLVKDONJSA-N 1 0 315.320 2.727 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)nc1 ZINC000302106921 230096067 /nfs/dbraw/zinc/09/60/67/230096067.db2.gz AESSIERTUUNDSD-GFCCVEGCSA-N 1 0 305.382 2.594 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000066407292 425904342 /nfs/dbraw/zinc/90/43/42/425904342.db2.gz COTXDLMIEYOPBY-JSGCOSHPSA-N 1 0 306.362 2.931 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)COC(C)(C)C ZINC000067458514 425910628 /nfs/dbraw/zinc/91/06/28/425910628.db2.gz ZIHMBTHREOHLQG-MRXNPFEDSA-N 1 0 324.421 2.981 20 5 DFBDRO Cc1sc(C(=O)N2CCC([NH+]3CCCC3)CC2)cc1[N+](=O)[O-] ZINC000068365236 425917714 /nfs/dbraw/zinc/91/77/14/425917714.db2.gz LAHKSYSALCNQMU-UHFFFAOYSA-N 1 0 323.418 2.665 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000012670759 425734793 /nfs/dbraw/zinc/73/47/93/425734793.db2.gz MAQAAHDQKDFUJL-MNOVXSKESA-N 1 0 309.366 2.565 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000012348814 425723170 /nfs/dbraw/zinc/72/31/70/425723170.db2.gz DZNZUKGKQIVHSM-CQSZACIVSA-N 1 0 319.386 2.689 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000026227529 425810441 /nfs/dbraw/zinc/81/04/41/425810441.db2.gz BIKGKLKSDUIAHV-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])o1 ZINC000046988457 425867512 /nfs/dbraw/zinc/86/75/12/425867512.db2.gz AGEZCJVCXOYFPK-GFCCVEGCSA-N 1 0 309.366 2.572 20 5 DFBDRO CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192722788 268047271 /nfs/dbraw/zinc/04/72/71/268047271.db2.gz GZFGYNBUUQIYIM-NVXWUHKLSA-N 1 0 322.405 2.595 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000194754531 268114748 /nfs/dbraw/zinc/11/47/48/268114748.db2.gz MDRBTKHFSBSKCQ-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000195238376 268130481 /nfs/dbraw/zinc/13/04/81/268130481.db2.gz LEEKMOZWLYSYSX-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)cc1 ZINC000195507017 268135913 /nfs/dbraw/zinc/13/59/13/268135913.db2.gz BMPVSTSBXZCGEM-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245454757 268164317 /nfs/dbraw/zinc/16/43/17/268164317.db2.gz SERXLNWZNRTMSB-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000245455932 268164368 /nfs/dbraw/zinc/16/43/68/268164368.db2.gz STWOHZFODOIAMV-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000248368167 268165932 /nfs/dbraw/zinc/16/59/32/268165932.db2.gz UWDFGOFJVCOZNV-MNOVXSKESA-N 1 0 302.334 2.875 20 5 DFBDRO C[C@H](O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269670622 268190161 /nfs/dbraw/zinc/19/01/61/268190161.db2.gz UOTYYCURXSAAIR-SUMWQHHRSA-N 1 0 322.405 2.644 20 5 DFBDRO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@H]1O ZINC000270861849 268227645 /nfs/dbraw/zinc/22/76/45/268227645.db2.gz IFURDXLXIJWDGS-IUODEOHRSA-N 1 0 308.378 2.585 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[NH+]1CCCC1 ZINC000048322200 425874574 /nfs/dbraw/zinc/87/45/74/425874574.db2.gz WRZNXAUXQMQJNI-UHFFFAOYSA-N 1 0 314.183 2.865 20 5 DFBDRO CC[C@H]1CO[C@@H](C)CN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001383 268246912 /nfs/dbraw/zinc/24/69/12/268246912.db2.gz KZBOSHXGFOMEII-AAEUAGOBSA-N 1 0 324.377 2.611 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273359955 268254752 /nfs/dbraw/zinc/25/47/52/268254752.db2.gz DYXYWSVGKBTKRG-YGRLFVJLSA-N 1 0 324.356 2.584 20 5 DFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309721279 268335976 /nfs/dbraw/zinc/33/59/76/268335976.db2.gz MIJOCNJWNKYFBW-NWDGAFQWSA-N 1 0 323.393 2.986 20 5 DFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309916263 268336879 /nfs/dbraw/zinc/33/68/79/268336879.db2.gz UKDVRRWZBMSKLU-NWDGAFQWSA-N 1 0 323.393 2.986 20 5 DFBDRO [NH3+][C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1c1ccccc1 ZINC000319228558 268346486 /nfs/dbraw/zinc/34/64/86/268346486.db2.gz UTTYTXVASWFCDV-GXTWGEPZSA-N 1 0 318.764 2.574 20 5 DFBDRO Cc1cc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(F)cc1[N+](=O)[O-] ZINC000324331133 268350865 /nfs/dbraw/zinc/35/08/65/268350865.db2.gz BNYPDWVTDKUFML-DZGCQCFKSA-N 1 0 315.348 2.973 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125653677 425984924 /nfs/dbraw/zinc/98/49/24/425984924.db2.gz PHIXFEQWHFMJNM-IAGOWNOFSA-N 1 0 322.405 2.815 20 5 DFBDRO CC[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000125774047 425990773 /nfs/dbraw/zinc/99/07/73/425990773.db2.gz YRMQWXGTCQHQDA-LLVKDONJSA-N 1 0 302.334 2.877 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000126535474 426023794 /nfs/dbraw/zinc/02/37/94/426023794.db2.gz HQIOATRGNYWZBC-STQMWFEESA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000161886119 426043332 /nfs/dbraw/zinc/04/33/32/426043332.db2.gz DXPQBIYYRCUAKK-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000161981071 426048180 /nfs/dbraw/zinc/04/81/80/426048180.db2.gz IJKLBOLDUIUHGV-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162671052 426072333 /nfs/dbraw/zinc/07/23/33/426072333.db2.gz ZQVPIQHOUKZWQS-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@@H](CO)C3)o2)cc1 ZINC000127218878 426056492 /nfs/dbraw/zinc/05/64/92/426056492.db2.gz WWOHYYVOYVDCDO-GFCCVEGCSA-N 1 0 302.330 2.669 20 5 DFBDRO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000127308339 426060143 /nfs/dbraw/zinc/06/01/43/426060143.db2.gz LOIOEGOXVYSCFD-QWHCGFSZSA-N 1 0 305.378 2.901 20 5 DFBDRO CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000163352428 426097129 /nfs/dbraw/zinc/09/71/29/426097129.db2.gz FNWAMJUUGKXGLG-UHFFFAOYSA-N 1 0 319.405 2.761 20 5 DFBDRO COCCCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166771855 426128952 /nfs/dbraw/zinc/12/89/52/426128952.db2.gz WPTTWKVWQXZWAX-AWEZNQCLSA-N 1 0 309.410 2.522 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000077509521 426136598 /nfs/dbraw/zinc/13/65/98/426136598.db2.gz HOIPHNOUBIADRN-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000127591581 426075605 /nfs/dbraw/zinc/07/56/05/426075605.db2.gz ZIBFPSLEQVBIOX-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075540374 426077036 /nfs/dbraw/zinc/07/70/36/426077036.db2.gz UKUHBUQQZBLPHH-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000075611201 426078448 /nfs/dbraw/zinc/07/84/48/426078448.db2.gz FKMHUPILDDHGFC-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000075676802 426079442 /nfs/dbraw/zinc/07/94/42/426079442.db2.gz YXJLVNVEIHRDKT-UHFFFAOYSA-N 1 0 301.774 2.628 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nccs1 ZINC000112532149 426081995 /nfs/dbraw/zinc/08/19/95/426081995.db2.gz HNJWHIKFIWIIMC-NXEZZACHSA-N 1 0 320.374 2.729 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC(c2cc[nH]n2)CC1 ZINC000171639745 426200735 /nfs/dbraw/zinc/20/07/35/426200735.db2.gz XMKXSEWOEUMHKQ-UHFFFAOYSA-N 1 0 304.325 2.837 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C(F)F ZINC000338227074 268643412 /nfs/dbraw/zinc/64/34/12/268643412.db2.gz WXFWFLKNNADXKD-JKOKRWQUSA-N 1 0 314.332 2.522 20 5 DFBDRO CO[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000170917298 426159111 /nfs/dbraw/zinc/15/91/11/426159111.db2.gz JIDHWDRIBGFNCK-OAHLLOKOSA-N 1 0 308.378 2.993 20 5 DFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000130976684 426163640 /nfs/dbraw/zinc/16/36/40/426163640.db2.gz KCHDVPZSPXGPSE-AWEZNQCLSA-N 1 0 310.304 2.810 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000132432974 426169938 /nfs/dbraw/zinc/16/99/38/426169938.db2.gz JHLBLXYSZHTGEN-IUCAKERBSA-N 1 0 314.183 2.531 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078650962 426179883 /nfs/dbraw/zinc/17/98/83/426179883.db2.gz QTLSGOKLPARVNT-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CC[C@@]1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000134546440 426187806 /nfs/dbraw/zinc/18/78/06/426187806.db2.gz KWZGJACAYWIBIF-WBMJQRKESA-N 1 0 305.378 2.613 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081572615 426224253 /nfs/dbraw/zinc/22/42/53/426224253.db2.gz BLJOLDJRGNQZAH-INIZCTEOSA-N 1 0 305.422 2.801 20 5 DFBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCCC1 ZINC000136026568 426233432 /nfs/dbraw/zinc/23/34/32/426233432.db2.gz QDCFFITVVPUGAO-UHFFFAOYSA-N 1 0 319.405 2.769 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000173815469 426249226 /nfs/dbraw/zinc/24/92/26/426249226.db2.gz RGAKSVCEPZHFSL-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000150893686 426266186 /nfs/dbraw/zinc/26/61/86/426266186.db2.gz UUOFZVHWYURCGS-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135255255 426211197 /nfs/dbraw/zinc/21/11/97/426211197.db2.gz DKEMPNFQHIHTSO-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135288225 426212313 /nfs/dbraw/zinc/21/23/13/426212313.db2.gz ZWJMVRLZXPQKPY-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CCC1CC1 ZINC000135303658 426213287 /nfs/dbraw/zinc/21/32/87/426213287.db2.gz ACUVEBGGAORMOK-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000175258785 426292833 /nfs/dbraw/zinc/29/28/33/426292833.db2.gz NGURTVPDHFNKMK-AWEZNQCLSA-N 1 0 321.421 2.767 20 5 DFBDRO COc1cc(CN2C[C@@H](C)OC(C)(C)C2)c([N+](=O)[O-])cc1OC ZINC000119523892 426295127 /nfs/dbraw/zinc/29/51/27/426295127.db2.gz AYGSFTRGNBUZER-LLVKDONJSA-N 1 0 324.377 2.611 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000089592120 426297510 /nfs/dbraw/zinc/29/75/10/426297510.db2.gz RKZFIEHMYWLTHW-HNNXBMFYSA-N 1 0 305.378 2.694 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000175362179 426299886 /nfs/dbraw/zinc/29/98/86/426299886.db2.gz KHEMDMYWRNNGOT-HNNXBMFYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H](C)O ZINC000089896661 426316155 /nfs/dbraw/zinc/31/61/55/426316155.db2.gz OENHRXYFSOLOOU-GFCCVEGCSA-N 1 0 319.361 2.841 20 5 DFBDRO CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090918616 426333175 /nfs/dbraw/zinc/33/31/75/426333175.db2.gz NHRGVFGMUKEDOC-INIZCTEOSA-N 1 0 305.378 2.646 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000151059761 426275350 /nfs/dbraw/zinc/27/53/50/426275350.db2.gz MMUDNKBCEJEWDH-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@H+]2CC=C(c3ccc(F)cc3)CC2)n1 ZINC000176199261 426359982 /nfs/dbraw/zinc/35/99/82/426359982.db2.gz LQAPPAKMTXYJEA-UHFFFAOYSA-N 1 0 316.336 2.720 20 5 DFBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cccc1[N+](=O)[O-] ZINC000122248519 426365553 /nfs/dbraw/zinc/36/55/53/426365553.db2.gz YNVGSPDVBJLLLS-LBPRGKRZSA-N 1 0 313.357 2.853 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153200425 426374495 /nfs/dbraw/zinc/37/44/95/426374495.db2.gz WFORSQMSLHWYEO-UKRRQHHQSA-N 1 0 321.421 2.522 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc(Cl)cc1[N+](=O)[O-])c1ccco1 ZINC000153515327 426390189 /nfs/dbraw/zinc/39/01/89/426390189.db2.gz FEUJHECODCSBTJ-NSHDSACASA-N 1 0 310.741 2.951 20 5 DFBDRO CCC(CC)[N@H+](CCOC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000153966057 426415684 /nfs/dbraw/zinc/41/56/84/426415684.db2.gz DHWILWMLMQWXQJ-INIZCTEOSA-N 1 0 310.394 2.765 20 5 DFBDRO C[NH+](C)CCN(Cc1ccco1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000154019783 426419597 /nfs/dbraw/zinc/41/95/97/426419597.db2.gz PEOQIFPTZZXJQX-UHFFFAOYSA-N 1 0 324.768 2.804 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000340373993 268972920 /nfs/dbraw/zinc/97/29/20/268972920.db2.gz BGVPSUYGSXHLGA-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000176986786 426430790 /nfs/dbraw/zinc/43/07/90/426430790.db2.gz NNSDCERJZIBOOH-YCABEKBOSA-N 1 0 317.389 2.551 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCOC1 ZINC000177063994 426440957 /nfs/dbraw/zinc/44/09/57/426440957.db2.gz FDARTYQZYAFOJQ-NSHDSACASA-N 1 0 305.334 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000177084277 426442516 /nfs/dbraw/zinc/44/25/16/426442516.db2.gz RSMXOQCOUYPMIS-GXTWGEPZSA-N 1 0 318.377 2.604 20 5 DFBDRO Cc1cc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341059789 269036540 /nfs/dbraw/zinc/03/65/40/269036540.db2.gz MLDIQMIMQOFFIU-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341150291 269047833 /nfs/dbraw/zinc/04/78/33/269047833.db2.gz RAILQPYEVBFYQU-ZDUSSCGKSA-N 1 0 307.369 2.794 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123700357 426448405 /nfs/dbraw/zinc/44/84/05/426448405.db2.gz DHDQZZFLJMATSP-UKQHYNNHSA-N 1 0 317.389 2.549 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341263500 269054683 /nfs/dbraw/zinc/05/46/83/269054683.db2.gz PFXKYLWJUDXAHP-LBPRGKRZSA-N 1 0 322.409 2.616 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCc3cnccn3)o2)cc1 ZINC000341275412 269057838 /nfs/dbraw/zinc/05/78/38/269057838.db2.gz PBZXGQFQHWIDMZ-UHFFFAOYSA-N 1 0 324.340 2.977 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000097257784 426462011 /nfs/dbraw/zinc/46/20/11/426462011.db2.gz HYFPKQLIYRYAHC-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(C)OC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000098144827 426480362 /nfs/dbraw/zinc/48/03/62/426480362.db2.gz MZTWKTMRHSWSDO-MRXNPFEDSA-N 1 0 310.394 2.591 20 5 DFBDRO C[C@H]1[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CCC[C@@H]1C ZINC000195314964 426513380 /nfs/dbraw/zinc/51/33/80/426513380.db2.gz GFTSXGXMUBQXQB-MISXGVKJSA-N 1 0 305.378 2.608 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272409302 426519702 /nfs/dbraw/zinc/51/97/02/426519702.db2.gz KRLRNGNDAMPDQY-WCBMZHEXSA-N 1 0 316.304 2.745 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195506390 426531060 /nfs/dbraw/zinc/53/10/60/426531060.db2.gz SWEQYJLJTKRANX-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000195513665 426534537 /nfs/dbraw/zinc/53/45/37/426534537.db2.gz AQJVPCQCCGBMNX-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000195034617 426499212 /nfs/dbraw/zinc/49/92/12/426499212.db2.gz JOPMQAJBWCZMMV-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186314594 426504659 /nfs/dbraw/zinc/50/46/59/426504659.db2.gz FDGIULNUOVZFBK-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO C[NH+]1CCC(Cc2nc(-c3ccc([N+](=O)[O-])s3)no2)CC1 ZINC000289072279 426578620 /nfs/dbraw/zinc/57/86/20/426578620.db2.gz MLHVULOWUUURMC-UHFFFAOYSA-N 1 0 308.363 2.591 20 5 DFBDRO CCC[C@H]([NH2+]CCNC(=O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178213332 426588295 /nfs/dbraw/zinc/58/82/95/426588295.db2.gz MYRPXVNNXTZUDX-HNNXBMFYSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112717 426595559 /nfs/dbraw/zinc/59/55/59/426595559.db2.gz GNNRJFGUIVGIKP-MJBXVCDLSA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000265210107 426596359 /nfs/dbraw/zinc/59/63/59/426596359.db2.gz CXTKUJGYXWGBHS-OAHLLOKOSA-N 1 0 304.321 2.866 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCN1CCCC1)C1CC1 ZINC000178307504 426604997 /nfs/dbraw/zinc/60/49/97/426604997.db2.gz WPBFLDRTEREPQR-MRXNPFEDSA-N 1 0 303.406 2.601 20 5 DFBDRO CC(C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265259956 426609394 /nfs/dbraw/zinc/60/93/94/426609394.db2.gz QPAVPGHIARYCNW-UHFFFAOYSA-N 1 0 307.375 2.579 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](O)CCc2ccccc2)cs1 ZINC000273193197 426612907 /nfs/dbraw/zinc/61/29/07/426612907.db2.gz ZMZXNVYRCLBMRQ-AWEZNQCLSA-N 1 0 306.387 2.740 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000272562080 426557555 /nfs/dbraw/zinc/55/75/55/426557555.db2.gz LWKQEKPYFWSOMT-STQMWFEESA-N 1 0 308.378 2.585 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H](C)C[NH2+]1 ZINC000272562024 426558434 /nfs/dbraw/zinc/55/84/34/426558434.db2.gz LVHGZVRRWLHYEC-NXEZZACHSA-N 1 0 319.386 2.632 20 5 DFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299897 426637077 /nfs/dbraw/zinc/63/70/77/426637077.db2.gz GXSAVUGQIKFPLH-XJKSGUPXSA-N 1 0 322.405 2.845 20 5 DFBDRO CN(Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCc2c1cnn2C ZINC000178505764 426642864 /nfs/dbraw/zinc/64/28/64/426642864.db2.gz ROXGIWQEDIQGLN-OAHLLOKOSA-N 1 0 318.352 2.977 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000265477417 426644634 /nfs/dbraw/zinc/64/46/34/426644634.db2.gz FTTJLNOEZFFZAH-GFCCVEGCSA-N 1 0 323.368 2.647 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000230420664 426649792 /nfs/dbraw/zinc/64/97/92/426649792.db2.gz QRXRIOKWZUFMEO-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO C[C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000178567616 426656469 /nfs/dbraw/zinc/65/64/69/426656469.db2.gz ADXLBEMQSRYFCL-LBPRGKRZSA-N 1 0 317.389 2.510 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000280842693 426666665 /nfs/dbraw/zinc/66/66/65/426666665.db2.gz XLWVKXKFWOGFRD-CYBMUJFWSA-N 1 0 305.382 2.594 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000178641503 426669395 /nfs/dbraw/zinc/66/93/95/426669395.db2.gz CMJYYDOULYTPRD-NSHDSACASA-N 1 0 314.345 2.936 20 5 DFBDRO CCn1cc([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000178729758 426683863 /nfs/dbraw/zinc/68/38/63/426683863.db2.gz MJTMFBVEKWDASM-NSHDSACASA-N 1 0 304.350 2.671 20 5 DFBDRO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178447895 426630147 /nfs/dbraw/zinc/63/01/47/426630147.db2.gz AYQSLHQVEOADMI-WBMJQRKESA-N 1 0 316.357 2.988 20 5 DFBDRO Cc1ccc(-c2noc(CC3CC[NH+](C)CC3)n2)cc1[N+](=O)[O-] ZINC000290100394 426693680 /nfs/dbraw/zinc/69/36/80/426693680.db2.gz LZBXCYZSJZRURR-UHFFFAOYSA-N 1 0 316.361 2.838 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000290443046 426766696 /nfs/dbraw/zinc/76/66/96/426766696.db2.gz HZXMSJBGMDQEHF-HNNXBMFYSA-N 1 0 310.325 2.713 20 5 DFBDRO CCSCCC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000281902098 426787402 /nfs/dbraw/zinc/78/74/02/426787402.db2.gz FTNWPTUYJCNOBC-UHFFFAOYSA-N 1 0 314.407 2.845 20 5 DFBDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178945078 426724227 /nfs/dbraw/zinc/72/42/27/426724227.db2.gz JMSDJACGVSBZNG-JTQLQIEISA-N 1 0 319.386 2.539 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000245438570 426739620 /nfs/dbraw/zinc/73/96/20/426739620.db2.gz SEWLYBLVTLDALS-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000179103913 426752023 /nfs/dbraw/zinc/75/20/23/426752023.db2.gz LGUAOJUCLNLGFX-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000188930131 426803815 /nfs/dbraw/zinc/80/38/15/426803815.db2.gz LRXDFBSVIWMUAF-CQSZACIVSA-N 1 0 306.387 2.658 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000267023245 426811298 /nfs/dbraw/zinc/81/12/98/426811298.db2.gz KPRHVKCGYAGANB-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000267027961 426813851 /nfs/dbraw/zinc/81/38/51/426813851.db2.gz MAMQIGYMUCVJSS-ZDUSSCGKSA-N 1 0 307.369 2.652 20 5 DFBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000246506068 426841165 /nfs/dbraw/zinc/84/11/65/426841165.db2.gz BMISHEPNXPKCRO-KBPBESRZSA-N 1 0 319.405 2.926 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000274842954 426849053 /nfs/dbraw/zinc/84/90/53/426849053.db2.gz UPXFSKNCYNYUMS-VXGBXAGGSA-N 1 0 307.394 2.939 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000267227206 426850233 /nfs/dbraw/zinc/85/02/33/426850233.db2.gz DYXISXRBXKDEAN-NXEZZACHSA-N 1 0 309.395 2.589 20 5 DFBDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282201243 426850825 /nfs/dbraw/zinc/85/08/25/426850825.db2.gz GUHOWQSFXBCEBQ-NZVBXONLSA-N 1 0 317.389 2.574 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246023831 426791226 /nfs/dbraw/zinc/79/12/26/426791226.db2.gz KRAAOSVCIWKNNS-HZSPNIEDSA-N 1 0 319.405 2.750 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246063373 426795366 /nfs/dbraw/zinc/79/53/66/426795366.db2.gz ZKXWNXYGWZABRH-IOASZLSFSA-N 1 0 317.389 2.678 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000275797483 426921693 /nfs/dbraw/zinc/92/16/93/426921693.db2.gz SMKJQZBTOKZBJS-GFCCVEGCSA-N 1 0 318.377 2.675 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000267285596 426864352 /nfs/dbraw/zinc/86/43/52/426864352.db2.gz WKISJEVGYILRIO-ZDUSSCGKSA-N 1 0 307.394 2.519 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000246922024 426879613 /nfs/dbraw/zinc/87/96/13/426879613.db2.gz HZVKJCZOUKDXDV-RISCZKNCSA-N 1 0 309.797 2.917 20 5 DFBDRO C[C@@H](CCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000295312859 426902064 /nfs/dbraw/zinc/90/20/64/426902064.db2.gz WCRBOHBWMSFJHN-VIFPVBQESA-N 1 0 307.375 2.667 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282415202 426907238 /nfs/dbraw/zinc/90/72/38/426907238.db2.gz IVXCKOMCAJPJLS-UONOGXRCSA-N 1 0 321.421 2.762 20 5 DFBDRO C[N@H+](CCO[C@H]1CCCCO1)CCc1cccc([N+](=O)[O-])c1 ZINC000282422075 426908728 /nfs/dbraw/zinc/90/87/28/426908728.db2.gz JLKHWNFGKDLCNQ-INIZCTEOSA-N 1 0 308.378 2.612 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247296613 426926296 /nfs/dbraw/zinc/92/62/96/426926296.db2.gz LCWYPFDPAIDMLU-AGIUHOORSA-N 1 0 303.362 2.654 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000189796499 426953284 /nfs/dbraw/zinc/95/32/84/426953284.db2.gz CLUJYFSCHNRSAG-ZDUSSCGKSA-N 1 0 305.378 2.542 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CSC1(C)C ZINC000283140751 426960634 /nfs/dbraw/zinc/96/06/34/426960634.db2.gz HEBWWJXFJXTYJD-MFKMUULPSA-N 1 0 323.418 2.796 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181555592 426963514 /nfs/dbraw/zinc/96/35/14/426963514.db2.gz PKUUJISCHJMCHB-AWEZNQCLSA-N 1 0 307.394 2.940 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000181695326 426976808 /nfs/dbraw/zinc/97/68/08/426976808.db2.gz WQAZNABRQVADOH-LSDHHAIUSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1[NH+](C)C ZINC000268284440 426977292 /nfs/dbraw/zinc/97/72/92/426977292.db2.gz XGDLIUNRQKYNDM-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H]1[NH+](C)C ZINC000268285529 426977980 /nfs/dbraw/zinc/97/79/80/426977980.db2.gz XMABGYOLPFPZFZ-BDJLRTHQSA-N 1 0 300.362 2.529 20 5 DFBDRO O=c1c2ccccc2n(CCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000291601948 426926980 /nfs/dbraw/zinc/92/69/80/426926980.db2.gz IQWFZNXISLANGS-UHFFFAOYSA-N 1 0 315.373 2.786 20 5 DFBDRO C[NH+](C)CCN(Cc1cccc(F)c1)c1ncccc1[N+](=O)[O-] ZINC000268348119 426993224 /nfs/dbraw/zinc/99/32/24/426993224.db2.gz UEVWYTHAXRJVNH-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000268175142 426937452 /nfs/dbraw/zinc/93/74/52/426937452.db2.gz LZVACJLGTZJNKQ-UHFFFAOYSA-N 1 0 323.368 2.679 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268189674 426942686 /nfs/dbraw/zinc/94/26/86/426942686.db2.gz DUBOZKYPHHKXFI-XHDPSFHLSA-N 1 0 305.378 2.938 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000276158920 426995421 /nfs/dbraw/zinc/99/54/21/426995421.db2.gz DOGXCFAMMDORED-UHFFFAOYSA-N 1 0 321.421 2.934 20 5 DFBDRO NC(=O)C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000182061813 427008960 /nfs/dbraw/zinc/00/89/60/427008960.db2.gz HVSVYPCWERTJLX-CQSZACIVSA-N 1 0 323.368 2.648 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291902905 427019839 /nfs/dbraw/zinc/01/98/39/427019839.db2.gz KHGHCVOOOBLOBU-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182172766 427020758 /nfs/dbraw/zinc/02/07/58/427020758.db2.gz YXJODQWBSUPICY-BXUZGUMPSA-N 1 0 309.797 2.917 20 5 DFBDRO Cc1c(C[NH+]2CCC(CC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000182185632 427022326 /nfs/dbraw/zinc/02/23/26/427022326.db2.gz YWIMEWMPDHEUIS-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CCOc1cc(C[N@H+](C(C)C)[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000291942349 427035126 /nfs/dbraw/zinc/03/51/26/427035126.db2.gz UCTBIPXLBNBXFK-CQSZACIVSA-N 1 0 308.378 2.993 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000276370094 427048058 /nfs/dbraw/zinc/04/80/58/427048058.db2.gz BSLNJSJACPVMMF-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000276421181 427062769 /nfs/dbraw/zinc/06/27/69/427062769.db2.gz NXQLKUFRXZPVSG-UHFFFAOYSA-N 1 0 318.377 2.595 20 5 DFBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458067 427073134 /nfs/dbraw/zinc/07/31/34/427073134.db2.gz QHBBFLLGGRWQDX-ZBINZKHDSA-N 1 0 322.336 2.507 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000276458978 427073691 /nfs/dbraw/zinc/07/36/91/427073691.db2.gz NNPOOJNHMGEALB-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000249005114 427075728 /nfs/dbraw/zinc/07/57/28/427075728.db2.gz SXULAUKJIIZIOL-QWHCGFSZSA-N 1 0 320.393 2.850 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000249046580 427080587 /nfs/dbraw/zinc/08/05/87/427080587.db2.gz HLMSFAJXPANGGH-FZMZJTMJSA-N 1 0 306.362 2.534 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](Oc3ccccn3)C2)cs1 ZINC000268689792 427090986 /nfs/dbraw/zinc/09/09/86/427090986.db2.gz OOPFVZOPKDWAPU-GFCCVEGCSA-N 1 0 305.359 2.705 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276530981 427093251 /nfs/dbraw/zinc/09/32/51/427093251.db2.gz BWZXMJIFQVHMMV-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000190406923 427098232 /nfs/dbraw/zinc/09/82/32/427098232.db2.gz TUMFDFJFWYUSHT-NSHDSACASA-N 1 0 324.402 2.646 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000296205455 427110780 /nfs/dbraw/zinc/11/07/80/427110780.db2.gz MHEYFVCXNPAKFY-ARFHVFGLSA-N 1 0 320.389 2.566 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000338055818 427116452 /nfs/dbraw/zinc/11/64/52/427116452.db2.gz XQTVJVVNMKAUOD-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292173388 427118284 /nfs/dbraw/zinc/11/82/84/427118284.db2.gz PWVKZTCJGMFTBJ-HNNXBMFYSA-N 1 0 309.797 2.776 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](O)C(F)F ZINC000296251988 427123323 /nfs/dbraw/zinc/12/33/23/427123323.db2.gz CXOCNJFDYCTILK-CDMKHQONSA-N 1 0 302.321 2.958 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000292190441 427124000 /nfs/dbraw/zinc/12/40/00/427124000.db2.gz YZMKXKUZLVCSHP-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057613 427124762 /nfs/dbraw/zinc/12/47/62/427124762.db2.gz KPHXFXUUUCQHDH-PVRXDPTQSA-N 1 0 305.378 2.641 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296254955 427126530 /nfs/dbraw/zinc/12/65/30/427126530.db2.gz BSRYGJMTDHWBFT-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4cccnc43)C2)C1 ZINC000292222430 427137181 /nfs/dbraw/zinc/13/71/81/427137181.db2.gz IGGSOLQMVGJJMS-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@H](NC(=O)CCc1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000087390097 270976844 /nfs/dbraw/zinc/97/68/44/270976844.db2.gz QJWCZEUSICBNRS-ZDUSSCGKSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268955608 427141507 /nfs/dbraw/zinc/14/15/07/427141507.db2.gz WNBAHIRJAMTPML-CFVMTHIKSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@H]([NH2+]CCCNc1ccccn1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184724 427151460 /nfs/dbraw/zinc/15/14/60/427151460.db2.gz RDKXSNNAEQTFSZ-LBPRGKRZSA-N 1 0 315.377 2.725 20 5 DFBDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000277301974 427156391 /nfs/dbraw/zinc/15/63/91/427156391.db2.gz CKSHNYJEBCETKX-ABAIWWIYSA-N 1 0 317.345 2.764 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162212669 271083006 /nfs/dbraw/zinc/08/30/06/271083006.db2.gz BJAPRESBVWBFBO-LDYMZIIASA-N 1 0 315.167 2.624 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+](C)[C@@H](C)CC)cc1[N+](=O)[O-] ZINC000174171691 271130697 /nfs/dbraw/zinc/13/06/97/271130697.db2.gz ZGMNUPRQDSGTHO-LBPRGKRZSA-N 1 0 307.394 2.617 20 5 DFBDRO CCOC(=O)[C@@H](CC)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190613306 271214828 /nfs/dbraw/zinc/21/48/28/271214828.db2.gz YNYSIYLHYAELDF-OAHLLOKOSA-N 1 0 306.362 2.901 20 5 DFBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296401003 427169186 /nfs/dbraw/zinc/16/91/86/427169186.db2.gz TYUCKOGKPUMLPI-MRXNPFEDSA-N 1 0 307.394 2.657 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000237485691 271249032 /nfs/dbraw/zinc/24/90/32/271249032.db2.gz DWRFLDXDUDHRSA-GFCCVEGCSA-N 1 0 305.378 2.600 20 5 DFBDRO CCn1ccnc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296435322 427176447 /nfs/dbraw/zinc/17/64/47/427176447.db2.gz MALHWJWVXLTPNV-OAHLLOKOSA-N 1 0 314.389 2.922 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F ZINC000284336297 427184609 /nfs/dbraw/zinc/18/46/09/427184609.db2.gz XDPLFSSFVQNVEQ-FZMZJTMJSA-N 1 0 323.368 2.501 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000296480140 427195232 /nfs/dbraw/zinc/19/52/32/427195232.db2.gz YHXAYYJKCREQOF-NWANDNLSSA-N 1 0 306.362 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000338221471 427198521 /nfs/dbraw/zinc/19/85/21/427198521.db2.gz RAJFADQNANDEJP-HIFRSBDPSA-N 1 0 304.390 2.811 20 5 DFBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000183131047 427207661 /nfs/dbraw/zinc/20/76/61/427207661.db2.gz SLYZFTWWPMHTSL-ABAIWWIYSA-N 1 0 317.345 2.907 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000183268375 427235832 /nfs/dbraw/zinc/23/58/32/427235832.db2.gz SJXICCMRSZNSOL-UHFFFAOYSA-N 1 0 320.389 2.532 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686249 427250102 /nfs/dbraw/zinc/25/01/02/427250102.db2.gz ZXOKVEYLEJFDTL-HUUCEWRRSA-N 1 0 310.419 2.702 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000293225628 427252795 /nfs/dbraw/zinc/25/27/95/427252795.db2.gz YYYRDIPJVBANFT-LRDDRELGSA-N 1 0 308.378 2.634 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330586084 427270431 /nfs/dbraw/zinc/27/04/31/427270431.db2.gz SKVGSIIOGZZSFL-QWHCGFSZSA-N 1 0 307.394 2.518 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000330589701 427270503 /nfs/dbraw/zinc/27/05/03/427270503.db2.gz POJKKHKPQGIEDW-GHMZBOCLSA-N 1 0 307.350 2.739 20 5 DFBDRO CCc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000293298187 427276481 /nfs/dbraw/zinc/27/64/81/427276481.db2.gz KQEHHLSCNXRHKP-MRXNPFEDSA-N 1 0 314.389 2.843 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H](O)Cc1ccccc1 ZINC000293365666 427299917 /nfs/dbraw/zinc/29/99/17/427299917.db2.gz ORIQQGKBPOEBHH-GOSISDBHSA-N 1 0 314.385 2.673 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191293682 427312026 /nfs/dbraw/zinc/31/20/26/427312026.db2.gz IANNSMWXFXIFMD-HUUCEWRRSA-N 1 0 317.389 2.868 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000183729454 427326764 /nfs/dbraw/zinc/32/67/64/427326764.db2.gz LFDGZRHSURTCDZ-SJORKVTESA-N 1 0 322.405 2.549 20 5 DFBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000297112450 427333697 /nfs/dbraw/zinc/33/36/97/427333697.db2.gz YDHHOZDGCKTREL-MRXNPFEDSA-N 1 0 302.378 2.648 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1Cl ZINC000183775142 427336074 /nfs/dbraw/zinc/33/60/74/427336074.db2.gz IWDJQIOMLQHLSL-SECBINFHSA-N 1 0 312.732 2.935 20 5 DFBDRO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C[NH3+])C1 ZINC000261710137 427338146 /nfs/dbraw/zinc/33/81/46/427338146.db2.gz GDWUUVICWXVANI-GXFFZTMASA-N 1 0 317.345 2.540 20 5 DFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])o2)c1 ZINC000270383261 427340688 /nfs/dbraw/zinc/34/06/88/427340688.db2.gz OLTYFBUPXJRDBG-UHFFFAOYSA-N 1 0 303.318 2.810 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000331118362 427347630 /nfs/dbraw/zinc/34/76/30/427347630.db2.gz LNPCYEULPQJQAS-STQMWFEESA-N 1 0 319.405 2.892 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)ccc1[N+](=O)[O-] ZINC000331139760 427353740 /nfs/dbraw/zinc/35/37/40/427353740.db2.gz FCQYFXGRSQFPLW-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000330683643 427289802 /nfs/dbraw/zinc/28/98/02/427289802.db2.gz IYZCTVNEPQVROW-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CO2 ZINC000296964132 427290759 /nfs/dbraw/zinc/29/07/59/427290759.db2.gz RGUZBRXYPBHEFV-AWEZNQCLSA-N 1 0 314.341 2.697 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000285975128 427390405 /nfs/dbraw/zinc/39/04/05/427390405.db2.gz WURUYJKBDJHPOS-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000271072779 427395057 /nfs/dbraw/zinc/39/50/57/427395057.db2.gz FSNJQGYFRPSAAI-QWHCGFSZSA-N 1 0 318.377 2.929 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000331306154 427396127 /nfs/dbraw/zinc/39/61/27/427396127.db2.gz ZHWLZOXTLUHSKZ-OUCADQQQSA-N 1 0 308.378 2.585 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C ZINC000271071789 427396282 /nfs/dbraw/zinc/39/62/82/427396282.db2.gz FISYOHDZQFDIQW-GFCCVEGCSA-N 1 0 320.418 2.989 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285888130 427364970 /nfs/dbraw/zinc/36/49/70/427364970.db2.gz ZAJQXJUDFJLVII-DOMZBBRYSA-N 1 0 318.377 2.685 20 5 DFBDRO Cc1ccc([C@H]2C[C@H](C)[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806806 427460233 /nfs/dbraw/zinc/46/02/33/427460233.db2.gz ZPCKKIZQPUKCKW-HOCLYGCPSA-N 1 0 314.389 2.978 20 5 DFBDRO CN(CCOCC1CC1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286240875 427463786 /nfs/dbraw/zinc/46/37/86/427463786.db2.gz CIRYOFPKQGZZRZ-UHFFFAOYSA-N 1 0 300.305 2.731 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000286246679 427466490 /nfs/dbraw/zinc/46/64/90/427466490.db2.gz BZAKRUSAUHXGSL-PWSUYJOCSA-N 1 0 310.785 2.706 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000184478814 427467256 /nfs/dbraw/zinc/46/72/56/427467256.db2.gz DVSCPUCLHNUCON-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCCCC[NH+]1CCCC1 ZINC000338756653 427469317 /nfs/dbraw/zinc/46/93/17/427469317.db2.gz NGULIYPVYGZDOD-UHFFFAOYSA-N 1 0 309.414 2.798 20 5 DFBDRO CC[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000286293653 427482341 /nfs/dbraw/zinc/48/23/41/427482341.db2.gz XYFYZQAOKJNTAN-SNVBAGLBSA-N 1 0 321.406 2.886 20 5 DFBDRO COC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184544352 427482389 /nfs/dbraw/zinc/48/23/89/427482389.db2.gz APGZQASJZAZGNI-HNNXBMFYSA-N 1 0 320.345 2.934 20 5 DFBDRO CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000338783288 427484794 /nfs/dbraw/zinc/48/47/94/427484794.db2.gz VAIUTAOAZULCFT-GJZGRUSLSA-N 1 0 317.389 2.619 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278870430 427484864 /nfs/dbraw/zinc/48/48/64/427484864.db2.gz RVWQKMMKXZXXOF-JLJPHGGASA-N 1 0 322.405 2.700 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C(C)C ZINC000297923608 427485497 /nfs/dbraw/zinc/48/54/97/427485497.db2.gz QQDYFQIGTGIHAD-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000286093434 427424661 /nfs/dbraw/zinc/42/46/61/427424661.db2.gz SXIHUGGOOPFPFT-KDRJOKAESA-N 1 0 310.419 2.887 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000191803280 427430600 /nfs/dbraw/zinc/43/06/00/427430600.db2.gz HLMSFAJXPANGGH-BXUZGUMPSA-N 1 0 306.362 2.534 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792334 427437715 /nfs/dbraw/zinc/43/77/15/427437715.db2.gz QQZUXGOLFOFYND-HWPZZCPQSA-N 1 0 319.336 2.700 20 5 DFBDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000338791044 427491345 /nfs/dbraw/zinc/49/13/45/427491345.db2.gz LAEFSXRSQYQYON-SRVKXCTJSA-N 1 0 310.423 2.759 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H](C)[NH+]1C ZINC000338797432 427494605 /nfs/dbraw/zinc/49/46/05/427494605.db2.gz YWFISWCXQKTIMY-UWVGGRQHSA-N 1 0 315.320 2.725 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000286343390 427499356 /nfs/dbraw/zinc/49/93/56/427499356.db2.gz KKHWUOSRPDYINF-GHMZBOCLSA-N 1 0 319.390 2.638 20 5 DFBDRO COc1cccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286347195 427500052 /nfs/dbraw/zinc/50/00/52/427500052.db2.gz MHLGHZBCRHMVQO-QWHCGFSZSA-N 1 0 305.378 2.666 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000286359751 427501577 /nfs/dbraw/zinc/50/15/77/427501577.db2.gz NBHUSFGHCWKNPU-QWHCGFSZSA-N 1 0 316.405 2.626 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCS1 ZINC000192192466 427502378 /nfs/dbraw/zinc/50/23/78/427502378.db2.gz MQXIBJIOBYRFQV-LLVKDONJSA-N 1 0 324.402 2.789 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287177812 427554698 /nfs/dbraw/zinc/55/46/98/427554698.db2.gz CHUTXIOMTWPBJM-ZIAGYGMSSA-N 1 0 317.389 2.600 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184672029 427513185 /nfs/dbraw/zinc/51/31/85/427513185.db2.gz IVHURGLDNOJWQJ-TZMCWYRMSA-N 1 0 308.378 2.503 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184730998 427530730 /nfs/dbraw/zinc/53/07/30/427530730.db2.gz GAYWOFVBFJTRDU-OAHLLOKOSA-N 1 0 320.345 2.852 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)CC1CCCC1)CC2 ZINC000332172252 427532541 /nfs/dbraw/zinc/53/25/41/427532541.db2.gz SKCIIEALGQCODK-QGZVFWFLSA-N 1 0 304.390 2.894 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271444225 427541815 /nfs/dbraw/zinc/54/18/15/427541815.db2.gz DTMRMVLNIHVDLP-HIFRSBDPSA-N 1 0 305.378 2.645 20 5 DFBDRO CCOC1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000298244766 427544160 /nfs/dbraw/zinc/54/41/60/427544160.db2.gz JNSCYNYVODQTKQ-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263769468 427565427 /nfs/dbraw/zinc/56/54/27/427565427.db2.gz CIXNKVIAHAHXQO-YPMHNXCESA-N 1 0 300.362 2.741 20 5 DFBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C[NH+](C)C ZINC000294164213 427570062 /nfs/dbraw/zinc/57/00/62/427570062.db2.gz MBAKNNYFYBKGTQ-SNVBAGLBSA-N 1 0 321.402 2.737 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000287339631 427584017 /nfs/dbraw/zinc/58/40/17/427584017.db2.gz VVNVIEFBSVBBDP-BBRMVZONSA-N 1 0 317.389 2.602 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000192714886 427592340 /nfs/dbraw/zinc/59/23/40/427592340.db2.gz OWMGSJLRZGNIFR-CYBMUJFWSA-N 1 0 309.414 2.652 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(CCC[NH+](C)C)CC1 ZINC000192734503 427598968 /nfs/dbraw/zinc/59/89/68/427598968.db2.gz GNFJMCCAFOZACD-UHFFFAOYSA-N 1 0 323.441 2.678 20 5 DFBDRO CS[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000272034209 427605511 /nfs/dbraw/zinc/60/55/11/427605511.db2.gz NKKVGOAXZUHHJK-NILFDRSVSA-N 1 0 309.435 2.633 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000279235114 427607650 /nfs/dbraw/zinc/60/76/50/427607650.db2.gz JMXSBQCZODWPQV-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](CO)c1ccccc1 ZINC000264005127 427632301 /nfs/dbraw/zinc/63/23/01/427632301.db2.gz HCIBPLJPXCOHOA-KRWDZBQOSA-N 1 0 316.357 2.639 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([C@H](O)C(C)C)CC1 ZINC000272101558 427632640 /nfs/dbraw/zinc/63/26/40/427632640.db2.gz VSARDEXWDZGJPS-MRXNPFEDSA-N 1 0 322.405 2.880 20 5 DFBDRO C[C@H](O)[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373253 427641291 /nfs/dbraw/zinc/64/12/91/427641291.db2.gz BCJJYNLCAPOMAJ-UWVGGRQHSA-N 1 0 318.295 2.816 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000192963600 427644803 /nfs/dbraw/zinc/64/48/03/427644803.db2.gz KWYJFGZLFLLRKX-XJKSGUPXSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000272161681 427654373 /nfs/dbraw/zinc/65/43/73/427654373.db2.gz HVCIFGDEZLUYFG-NSHDSACASA-N 1 0 323.368 2.536 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)O[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000279378117 427655613 /nfs/dbraw/zinc/65/56/13/427655613.db2.gz SLNOFFNVNFJGIN-SJKOYZFVSA-N 1 0 320.389 2.993 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000287625395 427658669 /nfs/dbraw/zinc/65/86/69/427658669.db2.gz ZHXZCVYYQWQWGF-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000279396376 427661465 /nfs/dbraw/zinc/66/14/65/427661465.db2.gz ZFXDHLWUWOESBH-NTZNESFSSA-N 1 0 321.377 2.709 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185497129 427663621 /nfs/dbraw/zinc/66/36/21/427663621.db2.gz YXQGYUCGNMZXLY-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO COc1ccc(CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000342718128 272046036 /nfs/dbraw/zinc/04/60/36/272046036.db2.gz BWSYXLFMACUVKN-CQSZACIVSA-N 1 0 307.394 2.518 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000343246595 272103966 /nfs/dbraw/zinc/10/39/66/272103966.db2.gz FFHDNJHKQOFATB-ZYHUDNBSSA-N 1 0 305.338 2.519 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000343321521 272118908 /nfs/dbraw/zinc/11/89/08/272118908.db2.gz LEGCDJVQDBTACS-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@H]2c2cccnc2)cs1 ZINC000343384794 272132545 /nfs/dbraw/zinc/13/25/45/272132545.db2.gz BCOLIDOJZAUMTM-TZMCWYRMSA-N 1 0 305.359 2.671 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)n1 ZINC000343784918 272218497 /nfs/dbraw/zinc/21/84/97/272218497.db2.gz FFZHRSVWIRDIJH-ZIAGYGMSSA-N 1 0 304.394 2.670 20 5 DFBDRO COC[C@H]1C[C@@H](OC)C[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343888962 272232449 /nfs/dbraw/zinc/23/24/49/272232449.db2.gz VQLNQHFMRKNPCX-HUUCEWRRSA-N 1 0 322.405 2.954 20 5 DFBDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000343892332 272232722 /nfs/dbraw/zinc/23/27/22/272232722.db2.gz YDXXXTAGQKLSGW-YTPRYADDSA-N 1 0 320.389 2.734 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000344123061 272268724 /nfs/dbraw/zinc/26/87/24/272268724.db2.gz GKWQRDRSCCWCBB-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO C[N@H+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000344181798 272281622 /nfs/dbraw/zinc/28/16/22/272281622.db2.gz QCSIDYMAFMKTKO-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209927 272288073 /nfs/dbraw/zinc/28/80/73/272288073.db2.gz JZXYQFHMCWWZQQ-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1cccc2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)n21 ZINC000344228650 272292011 /nfs/dbraw/zinc/29/20/11/272292011.db2.gz WLPMQONSWORHQW-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C[C@@H]1CO ZINC000339121922 427684496 /nfs/dbraw/zinc/68/44/96/427684496.db2.gz AMVDLAIOAMRXHF-GXSJLCMTSA-N 1 0 318.295 2.674 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1[N+](=O)[O-] ZINC000344610851 272347941 /nfs/dbraw/zinc/34/79/41/272347941.db2.gz IBNSRFAWLTZDCX-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344625150 272349239 /nfs/dbraw/zinc/34/92/39/272349239.db2.gz WQNKQWFRYKMJGN-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1[N+](=O)[O-] ZINC000344625149 272349274 /nfs/dbraw/zinc/34/92/74/272349274.db2.gz WQNKQWFRYKMJGN-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1cnn(C)c1 ZINC000344858565 272377415 /nfs/dbraw/zinc/37/74/15/272377415.db2.gz HDWBLDPIZGENCE-ZROIWOOFSA-N 1 0 314.389 2.954 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC000295080903 427686179 /nfs/dbraw/zinc/68/61/79/427686179.db2.gz QIQJWZJGVIVDMI-NSHDSACASA-N 1 0 312.391 2.549 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H](c3ncc[nH]3)C2)ccc1[N+](=O)[O-] ZINC000287849375 427702755 /nfs/dbraw/zinc/70/27/55/427702755.db2.gz LNTYSCHZKHNUKG-LBPRGKRZSA-N 1 0 314.345 2.905 20 5 DFBDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000185793261 427707538 /nfs/dbraw/zinc/70/75/38/427707538.db2.gz FYLXKDSUOYVCOS-OAHLLOKOSA-N 1 0 300.362 2.628 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000279766889 427719078 /nfs/dbraw/zinc/71/90/78/427719078.db2.gz SHHJDTZAIZSWJY-CQSZACIVSA-N 1 0 321.421 2.698 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000193863614 427720801 /nfs/dbraw/zinc/72/08/01/427720801.db2.gz OLVSANGKIAAOFY-CYBMUJFWSA-N 1 0 316.361 2.576 20 5 DFBDRO COc1cc(-c2nc([C@@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000339386764 427765695 /nfs/dbraw/zinc/76/56/95/427765695.db2.gz BLRPWIBQRKEGIG-JTQLQIEISA-N 1 0 306.322 2.699 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000336874186 427769617 /nfs/dbraw/zinc/76/96/17/427769617.db2.gz XXIJZWCBCWZTDW-UHFFFAOYSA-N 1 0 323.393 2.912 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000336874157 427769827 /nfs/dbraw/zinc/76/98/27/427769827.db2.gz XKLOIGGIAVFYTO-LLVKDONJSA-N 1 0 320.393 2.622 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)c(F)c1 ZINC000301255392 427784996 /nfs/dbraw/zinc/78/49/96/427784996.db2.gz DCLLUUGMHZYUPO-LBPRGKRZSA-N 1 0 323.368 2.647 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336711041 427749349 /nfs/dbraw/zinc/74/93/49/427749349.db2.gz LELXOUAPVRAKSW-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO CC(C)(C)[NH2+]CCNc1ncc([N+](=O)[O-])cc1Br ZINC000301557308 427805284 /nfs/dbraw/zinc/80/52/84/427805284.db2.gz SRALVIPFXPQJTB-UHFFFAOYSA-N 1 0 317.187 2.552 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000301606768 427809201 /nfs/dbraw/zinc/80/92/01/427809201.db2.gz NHNZQUGCLDDOCD-BXUZGUMPSA-N 1 0 321.377 2.522 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](CC(C)C)CC1 ZINC000301651835 427812642 /nfs/dbraw/zinc/81/26/42/427812642.db2.gz SPJXWMXDIWKRRN-UHFFFAOYSA-N 1 0 307.394 2.519 20 5 DFBDRO CC(C)[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000339727441 427818278 /nfs/dbraw/zinc/81/82/78/427818278.db2.gz KCPSEHRYKHRUBF-INIZCTEOSA-N 1 0 322.405 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000337279071 427830186 /nfs/dbraw/zinc/83/01/86/427830186.db2.gz GKYUXTMHMUYUFP-VXGBXAGGSA-N 1 0 304.268 2.984 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)CC(F)(F)F ZINC000339794697 427830904 /nfs/dbraw/zinc/83/09/04/427830904.db2.gz KMKCFTKSISRWRS-TZNOJPMFSA-N 1 0 304.268 2.511 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000301872747 427832064 /nfs/dbraw/zinc/83/20/64/427832064.db2.gz XIHPPIGPPBGIPY-UKRRQHHQSA-N 1 0 316.336 2.986 20 5 DFBDRO C[NH+](C)Cc1ccc(CNc2ncccc2[N+](=O)[O-])cc1F ZINC000301868288 427832231 /nfs/dbraw/zinc/83/22/31/427832231.db2.gz HYLRYQBYGTYXDL-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339815469 427833928 /nfs/dbraw/zinc/83/39/28/427833928.db2.gz AXBCVVRBQVDLEB-INIZCTEOSA-N 1 0 308.378 2.850 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000359455105 427858586 /nfs/dbraw/zinc/85/85/86/427858586.db2.gz CBWPHPOSNUHQFZ-KBPBESRZSA-N 1 0 313.357 2.506 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000359437175 427852116 /nfs/dbraw/zinc/85/21/16/427852116.db2.gz JKZVANHPBLZCLV-VXGBXAGGSA-N 1 0 309.414 2.794 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000337338310 427853681 /nfs/dbraw/zinc/85/36/81/427853681.db2.gz NTDGQMBGSIQBCO-CQSZACIVSA-N 1 0 323.368 2.584 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000346291839 272614552 /nfs/dbraw/zinc/61/45/52/272614552.db2.gz QWXFROZNLVMUEN-KBPBESRZSA-N 1 0 317.389 2.603 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000355753098 427875231 /nfs/dbraw/zinc/87/52/31/427875231.db2.gz YPGHYXGTVSFPAH-QGZVFWFLSA-N 1 0 320.389 2.866 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000302855531 427877836 /nfs/dbraw/zinc/87/78/36/427877836.db2.gz LHQUCNXFOPSYRI-ZDUSSCGKSA-N 1 0 311.357 2.503 20 5 DFBDRO COCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000337419347 427897023 /nfs/dbraw/zinc/89/70/23/427897023.db2.gz QKFMLLFGVPQYCL-ZIAGYGMSSA-N 1 0 322.409 2.681 20 5 DFBDRO C[C@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000340599651 427897494 /nfs/dbraw/zinc/89/74/94/427897494.db2.gz HDJDTAJFMCJPGL-FUEXJSSKSA-N 1 0 304.268 2.511 20 5 DFBDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345778390 427902073 /nfs/dbraw/zinc/90/20/73/427902073.db2.gz MZSLUPKKTUDUAP-STQMWFEESA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000337445886 427907872 /nfs/dbraw/zinc/90/78/72/427907872.db2.gz QBQIMJKRROVPAL-ABAIWWIYSA-N 1 0 320.780 2.970 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000341106300 427989396 /nfs/dbraw/zinc/98/93/96/427989396.db2.gz GREOVCSIQGJZNG-CYBMUJFWSA-N 1 0 322.409 2.687 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000345849500 427930310 /nfs/dbraw/zinc/93/03/10/427930310.db2.gz MOECKVYRRZDMAI-UHFFFAOYSA-N 1 0 323.368 2.776 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000345875406 427936907 /nfs/dbraw/zinc/93/69/07/427936907.db2.gz BKQCMPRRYBHVKL-NEPJUHHUSA-N 1 0 306.366 2.541 20 5 DFBDRO CCN(Cc1nc(-c2cccc([N+](=O)[O-])c2C)no1)C1CC1 ZINC000351142221 428021669 /nfs/dbraw/zinc/02/16/69/428021669.db2.gz DLBMFSCNRMBWQV-UHFFFAOYSA-N 1 0 302.334 2.938 20 5 DFBDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000347319690 272772184 /nfs/dbraw/zinc/77/21/84/272772184.db2.gz RAYNLEYDTWRUNL-ZFWWWQNUSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)(C)c1ccc(CC[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000356140072 428040517 /nfs/dbraw/zinc/04/05/17/428040517.db2.gz QPNOJGAEOHYXNH-UHFFFAOYSA-N 1 0 316.405 2.921 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@]2(CCOC2)O1 ZINC000369707420 428041571 /nfs/dbraw/zinc/04/15/71/428041571.db2.gz SNSYUUTXRGQMLV-WBVHZDCISA-N 1 0 320.389 2.673 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000413444012 428049699 /nfs/dbraw/zinc/04/96/99/428049699.db2.gz RWWQWOVPGHMIFI-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@H+](C)C2)c1 ZINC000413444005 428050161 /nfs/dbraw/zinc/05/01/61/428050161.db2.gz RWWQWOVPGHMIFI-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000341128737 427997284 /nfs/dbraw/zinc/99/72/84/427997284.db2.gz UZTXGBMZKMTWEM-SNVBAGLBSA-N 1 0 311.411 2.836 20 5 DFBDRO C[C@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@@H+]1C ZINC000413240331 428001498 /nfs/dbraw/zinc/00/14/98/428001498.db2.gz JPAPIDQIMIKEMK-KWQFWETISA-N 1 0 318.299 2.903 20 5 DFBDRO CCn1nccc1CN(C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413263836 428006042 /nfs/dbraw/zinc/00/60/42/428006042.db2.gz LLDWRLMNLCCQLE-UHFFFAOYSA-N 1 0 311.345 2.996 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc([N+](=O)[O-])c4ncccc34)C2)C1 ZINC000413306477 428016852 /nfs/dbraw/zinc/01/68/52/428016852.db2.gz VSPAXCONKFDFKT-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369886980 428084100 /nfs/dbraw/zinc/08/41/00/428084100.db2.gz IGABZRNWZIKMAG-XHDPSFHLSA-N 1 0 312.373 2.901 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000377426556 428127869 /nfs/dbraw/zinc/12/78/69/428127869.db2.gz QABAJBUMLJOPSE-QWHCGFSZSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2ccccn2)n1 ZINC000351517567 428096600 /nfs/dbraw/zinc/09/66/00/428096600.db2.gz OBKCNJNPXINSIS-LSDHHAIUSA-N 1 0 315.377 2.502 20 5 DFBDRO CCN(CC[NH+]1CCCCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000346277573 428104034 /nfs/dbraw/zinc/10/40/34/428104034.db2.gz BRWMGBDJVAMRPO-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352351238 428133118 /nfs/dbraw/zinc/13/31/18/428133118.db2.gz UVQSIZIXNJEFDA-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535354 428140305 /nfs/dbraw/zinc/14/03/05/428140305.db2.gz POTOWVUUQKCVDA-QGZVFWFLSA-N 1 0 319.405 2.569 20 5 DFBDRO COc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539656 428142348 /nfs/dbraw/zinc/14/23/48/428142348.db2.gz BNFBKRWEBUFGFW-GXTWGEPZSA-N 1 0 307.394 2.518 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352544427 428144669 /nfs/dbraw/zinc/14/46/69/428144669.db2.gz ALVMRMZRQGEFDQ-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(F)cc1[N+](=O)[O-] ZINC000360081572 428151449 /nfs/dbraw/zinc/15/14/49/428151449.db2.gz GMFGGMIRFWLCET-GXTWGEPZSA-N 1 0 307.369 2.963 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[N@H+]2CC=CCC2)nc1-c1ccccc1 ZINC000360094557 428158875 /nfs/dbraw/zinc/15/88/75/428158875.db2.gz UZJGVHODAANFAV-UHFFFAOYSA-N 1 0 324.384 3.331 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000352696127 428209774 /nfs/dbraw/zinc/20/97/74/428209774.db2.gz ZTDPRRHWSPPTBR-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414143855 428216588 /nfs/dbraw/zinc/21/65/88/428216588.db2.gz LXRNOBAJOMKIED-XGUBFFRZSA-N 1 0 322.409 2.821 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414239423 428239840 /nfs/dbraw/zinc/23/98/40/428239840.db2.gz YPRAOYRPSVTJSU-NTZNESFSSA-N 1 0 323.418 2.796 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414239425 428240183 /nfs/dbraw/zinc/24/01/83/428240183.db2.gz YPRAOYRPSVTJSU-WZRBSPASSA-N 1 0 323.418 2.796 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000346696817 428280206 /nfs/dbraw/zinc/28/02/06/428280206.db2.gz VYFHGCKUHULOJD-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000356741763 428290711 /nfs/dbraw/zinc/29/07/11/428290711.db2.gz MCAXJALECWKSAW-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881003 428291675 /nfs/dbraw/zinc/29/16/75/428291675.db2.gz YWRRPASJLZZLJG-HUUCEWRRSA-N 1 0 322.405 2.989 20 5 DFBDRO CCCN(CCc1ccc([N+](=O)[O-])cc1)CC[NH+]1CCCC1 ZINC000352886418 428295005 /nfs/dbraw/zinc/29/50/05/428295005.db2.gz GUPGFLJVJQDVHG-UHFFFAOYSA-N 1 0 305.422 2.945 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H](O)C(F)F)c2ccccc2)c1 ZINC000352782400 428246329 /nfs/dbraw/zinc/24/63/29/428246329.db2.gz HPMNFRJWRMTUHG-HUUCEWRRSA-N 1 0 322.311 2.900 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000377858897 428247998 /nfs/dbraw/zinc/24/79/98/428247998.db2.gz CWHDUAHWNHCKFD-AWEZNQCLSA-N 1 0 314.389 2.794 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000191293698 273580414 /nfs/dbraw/zinc/58/04/14/273580414.db2.gz IANNSMWXFXIFMD-GJZGRUSLSA-N 1 0 317.389 2.868 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000370855645 428309654 /nfs/dbraw/zinc/30/96/54/428309654.db2.gz FUHCXSLVXPZILY-AWEZNQCLSA-N 1 0 314.389 2.954 20 5 DFBDRO COc1c(-c2nc([C@@H]([NH3+])CC(C)C)no2)cccc1[N+](=O)[O-] ZINC000414617382 428355463 /nfs/dbraw/zinc/35/54/63/428355463.db2.gz LJDFLUMIGPCLQI-JTQLQIEISA-N 1 0 306.322 2.699 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414500471 428322199 /nfs/dbraw/zinc/32/21/99/428322199.db2.gz QHRIGBJCUSUKMM-AWEZNQCLSA-N 1 0 319.405 2.628 20 5 DFBDRO Cc1cc(N2CC[NH+]([C@H]3CCSC3)CC2)ccc1[N+](=O)[O-] ZINC000378180798 428328520 /nfs/dbraw/zinc/32/85/20/428328520.db2.gz BBKZWVKTXXFXDC-AWEZNQCLSA-N 1 0 307.419 2.531 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000342167461 428329485 /nfs/dbraw/zinc/32/94/85/428329485.db2.gz BDCJZCIYMRKKKA-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000414528488 428331146 /nfs/dbraw/zinc/33/11/46/428331146.db2.gz ASGUOYKOLSHQFS-UUSSSYRCSA-N 1 0 312.316 2.746 20 5 DFBDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414540170 428333967 /nfs/dbraw/zinc/33/39/67/428333967.db2.gz GAIOZSIXRPWHLN-GFCCVEGCSA-N 1 0 307.394 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000356855034 428337149 /nfs/dbraw/zinc/33/71/49/428337149.db2.gz PSXFIKBOCQOYSK-UONOGXRCSA-N 1 0 319.405 2.685 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000378213451 428338405 /nfs/dbraw/zinc/33/84/05/428338405.db2.gz WRRDSCMXRXSATL-ZDUSSCGKSA-N 1 0 304.394 2.751 20 5 DFBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCC(=O)N1 ZINC000414555968 428339094 /nfs/dbraw/zinc/33/90/94/428339094.db2.gz IWQGCCBSSIXMFI-ZKKXHLJNSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3Cc4ccccc43)C2)nc1 ZINC000346993360 428400040 /nfs/dbraw/zinc/40/00/40/428400040.db2.gz JFMJJEMSOXRDNI-LSDHHAIUSA-N 1 0 324.384 2.816 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1cc([N+](=O)[O-])ccc1OCC ZINC000353145412 428403148 /nfs/dbraw/zinc/40/31/48/428403148.db2.gz WEAQBFPVWYXQDL-MRXNPFEDSA-N 1 0 321.421 2.958 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000378490070 428410727 /nfs/dbraw/zinc/41/07/27/428410727.db2.gz QIVGTFSXWOLTSD-CQSZACIVSA-N 1 0 302.334 2.534 20 5 DFBDRO C[N@H+](C[C@H]1CC12CCN(c1ccc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000378355998 428374183 /nfs/dbraw/zinc/37/41/83/428374183.db2.gz RHNANHNTYFKZKY-CYBMUJFWSA-N 1 0 316.405 2.691 20 5 DFBDRO Cc1c(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000414693587 428378670 /nfs/dbraw/zinc/37/86/70/428378670.db2.gz DXWRESVWXPZRQY-CQSZACIVSA-N 1 0 320.393 2.932 20 5 DFBDRO C[N@H+]1CC=C(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000342788741 428455758 /nfs/dbraw/zinc/45/57/58/428455758.db2.gz PLVDCISIVFOABN-UHFFFAOYSA-N 1 0 324.384 3.331 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCCNC1 ZINC000414925792 428460550 /nfs/dbraw/zinc/46/05/50/428460550.db2.gz MFKVBBROYQHTQN-FVQBIDKESA-N 1 0 303.406 2.648 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000287671640 273816769 /nfs/dbraw/zinc/81/67/69/273816769.db2.gz IYZWVPYDPNWHDY-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000357361646 428500557 /nfs/dbraw/zinc/50/05/57/428500557.db2.gz YLNACFWNUPXYCR-WFASDCNBSA-N 1 0 324.377 2.602 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000357418580 428525866 /nfs/dbraw/zinc/52/58/66/428525866.db2.gz QCNOMWRPKHXHDO-JQWIXIFHSA-N 1 0 317.345 2.554 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000360882937 428476752 /nfs/dbraw/zinc/47/67/52/428476752.db2.gz HRCCVISDXBLPPS-AWEZNQCLSA-N 1 0 304.394 2.975 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347449313 428583661 /nfs/dbraw/zinc/58/36/61/428583661.db2.gz ORIIKRAKKTZEJS-RYUDHWBXSA-N 1 0 315.377 2.823 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000343252653 428540806 /nfs/dbraw/zinc/54/08/06/428540806.db2.gz RDBQFBONHUACPV-WCQYABFASA-N 1 0 318.377 3.433 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000361153367 428541069 /nfs/dbraw/zinc/54/10/69/428541069.db2.gz HZNANOBHFNWGRA-IAQYHMDHSA-N 1 0 318.402 3.156 20 5 DFBDRO C[C@@](O)(C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000361350306 428561212 /nfs/dbraw/zinc/56/12/12/428561212.db2.gz DWDMQFPDAXZQBD-NVXWUHKLSA-N 1 0 304.390 2.667 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])c(C)c1)C1CC[NH2+]CC1 ZINC000415413249 428579559 /nfs/dbraw/zinc/57/95/59/428579559.db2.gz DKUQMDJCRYIKMG-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000408052325 428596389 /nfs/dbraw/zinc/59/63/89/428596389.db2.gz UDYDATSBWBKKCH-FRRDWIJNSA-N 1 0 321.377 2.665 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000415586847 428599745 /nfs/dbraw/zinc/59/97/45/428599745.db2.gz WAQNRMICOXROMN-GXFFZTMASA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000373553012 428604642 /nfs/dbraw/zinc/60/46/42/428604642.db2.gz YOQJUMNLSRQYFA-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc([N+](=O)[O-])c1 ZINC000373553013 428605267 /nfs/dbraw/zinc/60/52/67/428605267.db2.gz YOQJUMNLSRQYFA-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000347576319 428609570 /nfs/dbraw/zinc/60/95/70/428609570.db2.gz AWEVOHAREOKVRI-VXGBXAGGSA-N 1 0 321.377 2.917 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000278870439 274050880 /nfs/dbraw/zinc/05/08/80/274050880.db2.gz RVWQKMMKXZXXOF-UKPHBRMFSA-N 1 0 322.405 2.700 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H](n2cccn2)C1 ZINC000373720889 428639795 /nfs/dbraw/zinc/63/97/95/428639795.db2.gz QFISDSQFSAFUTH-OAHLLOKOSA-N 1 0 316.361 2.637 20 5 DFBDRO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000360075451 274182068 /nfs/dbraw/zinc/18/20/68/274182068.db2.gz UPOGQKKRUVEDFS-ZIAGYGMSSA-N 1 0 313.398 2.524 20 5 DFBDRO Cc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000416099757 428667026 /nfs/dbraw/zinc/66/70/26/428667026.db2.gz VHDOVRZZGVEVFM-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247035720 274290274 /nfs/dbraw/zinc/29/02/74/274290274.db2.gz VCSKNIATIRKVHT-OLZOCXBDSA-N 1 0 317.389 2.604 20 5 DFBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000358758958 428661283 /nfs/dbraw/zinc/66/12/83/428661283.db2.gz SJBXMYKZMKEEEM-OAHLLOKOSA-N 1 0 300.362 2.538 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1[NH+](C)C ZINC000268284438 274364337 /nfs/dbraw/zinc/36/43/37/274364337.db2.gz XGDLIUNRQKYNDM-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 ZINC000416288278 428709262 /nfs/dbraw/zinc/70/92/62/428709262.db2.gz GRBIHJHIROOVNE-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000374621539 428715161 /nfs/dbraw/zinc/71/51/61/428715161.db2.gz ISLARJSNIZPVDB-INIZCTEOSA-N 1 0 304.390 2.886 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC(C)(C)C ZINC000344853313 428716567 /nfs/dbraw/zinc/71/65/67/428716567.db2.gz JKPIJYRQLYEMBK-WQLSENKSSA-N 1 0 305.378 2.502 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286275243 274438890 /nfs/dbraw/zinc/43/88/90/274438890.db2.gz DRBOTKCRDCTZRM-ZWNOBZJWSA-N 1 0 310.785 2.706 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000374513466 428690730 /nfs/dbraw/zinc/69/07/30/428690730.db2.gz KPSMKLAJOCTKAO-XHSDSOJGSA-N 1 0 317.389 2.789 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000411279341 428769817 /nfs/dbraw/zinc/76/98/17/428769817.db2.gz BUVQQBBTPXCNPB-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000411279343 428770866 /nfs/dbraw/zinc/77/08/66/428770866.db2.gz BUVQQBBTPXCNPB-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353910992 428774903 /nfs/dbraw/zinc/77/49/03/428774903.db2.gz FFWRPUMHACJZHM-DGCLKSJQSA-N 1 0 320.393 2.761 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000348535817 428774948 /nfs/dbraw/zinc/77/49/48/428774948.db2.gz RJOKOUPZIKJPLV-STQMWFEESA-N 1 0 316.304 2.724 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000374893548 428777304 /nfs/dbraw/zinc/77/73/04/428777304.db2.gz LVOMMPALAWUARS-GFCCVEGCSA-N 1 0 315.377 2.962 20 5 DFBDRO CCOc1cc(N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000345170549 428781703 /nfs/dbraw/zinc/78/17/03/428781703.db2.gz ILKVTFDQILJLAK-OLZOCXBDSA-N 1 0 307.394 2.912 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)n1 ZINC000374728394 428740104 /nfs/dbraw/zinc/74/01/04/428740104.db2.gz UBOIMAXFRIPRQB-ROJDOSBLSA-N 1 0 312.373 2.969 20 5 DFBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000363045052 428847580 /nfs/dbraw/zinc/84/75/80/428847580.db2.gz BRCZPLJYLGLAPS-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000375051581 428798196 /nfs/dbraw/zinc/79/81/96/428798196.db2.gz WWCUEUSSCSZXLH-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000359091730 428812620 /nfs/dbraw/zinc/81/26/20/428812620.db2.gz FKSGTNLVHSCYEQ-CQSZACIVSA-N 1 0 306.410 2.996 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023508 428828056 /nfs/dbraw/zinc/82/80/56/428828056.db2.gz CTPMCMRWGQAOLT-ZIAGYGMSSA-N 1 0 322.405 2.703 20 5 DFBDRO O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C2 ZINC000375317321 428853333 /nfs/dbraw/zinc/85/33/33/428853333.db2.gz DFXXRIZAOUQKGM-GOSISDBHSA-N 1 0 323.352 2.691 20 5 DFBDRO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417128578 428859110 /nfs/dbraw/zinc/85/91/10/428859110.db2.gz IPVRQWSISCZTFX-LBPRGKRZSA-N 1 0 320.393 2.617 20 5 DFBDRO CCC[C@@H]1C(=O)NCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354102076 428863613 /nfs/dbraw/zinc/86/36/13/428863613.db2.gz YHQSRAPRCMBLGC-OAHLLOKOSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000348870682 428864728 /nfs/dbraw/zinc/86/47/28/428864728.db2.gz BRTDCQVAFDNEAR-LBPRGKRZSA-N 1 0 300.305 2.964 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000363123014 428864904 /nfs/dbraw/zinc/86/49/04/428864904.db2.gz WRIUAYZHZYOZTO-AWEZNQCLSA-N 1 0 316.361 2.507 20 5 DFBDRO O=C(CC[NH+]1CC(C2CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000348978614 428892589 /nfs/dbraw/zinc/89/25/89/428892589.db2.gz XUGGULLTCXKVNI-UHFFFAOYSA-N 1 0 303.362 2.655 20 5 DFBDRO C[C@H]1C[C@@H](c2cccs2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000363305201 428900952 /nfs/dbraw/zinc/90/09/52/428900952.db2.gz AFOYDKPPDFHGGO-NWDGAFQWSA-N 1 0 306.391 2.731 20 5 DFBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363525835 428934203 /nfs/dbraw/zinc/93/42/03/428934203.db2.gz SQRHJIMOKHFYOV-MRXNPFEDSA-N 1 0 317.389 2.572 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000375664772 428935438 /nfs/dbraw/zinc/93/54/38/428935438.db2.gz JOPJDMFSNIJKNZ-ZWKOTPCHSA-N 1 0 312.369 2.727 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000375680227 428940565 /nfs/dbraw/zinc/94/05/65/428940565.db2.gz ZSBKHRNUEOUONJ-UONOGXRCSA-N 1 0 322.409 2.509 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000345574938 428942336 /nfs/dbraw/zinc/94/23/36/428942336.db2.gz PTLDQJMMIMCIHI-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420238641 428950211 /nfs/dbraw/zinc/95/02/11/428950211.db2.gz NWTYMJHNZVOKFS-NWDGAFQWSA-N 1 0 318.402 3.400 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000345596718 428952824 /nfs/dbraw/zinc/95/28/24/428952824.db2.gz JAXYJXIOSDPTSW-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000412106178 428955523 /nfs/dbraw/zinc/95/55/23/428955523.db2.gz GSDGXQVWUSQEQJ-JKSUJKDBSA-N 1 0 319.405 2.546 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000349331633 428964919 /nfs/dbraw/zinc/96/49/19/428964919.db2.gz MHCKSGDFUYEOGI-SZNGSJQDSA-N 1 0 318.295 2.901 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3[C@H]4COC[C@H]43)o2)c1 ZINC000375768151 428965360 /nfs/dbraw/zinc/96/53/60/428965360.db2.gz LUIFBFVUAPMNAN-PHZGNYQRSA-N 1 0 314.341 2.837 20 5 DFBDRO Cc1nc([C@H]2CCCN(Cc3cccc([N+](=O)[O-])c3)C2)no1 ZINC000375766764 428965739 /nfs/dbraw/zinc/96/57/39/428965739.db2.gz XTQUGMXOLUPMBN-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451915656 429019214 /nfs/dbraw/zinc/01/92/14/429019214.db2.gz VUGCIJIDINFDFF-NRUUGDAUSA-N 1 0 318.295 2.901 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915604 429019765 /nfs/dbraw/zinc/01/97/65/429019765.db2.gz VSJCHVQRRZTVJF-SUZMYJTESA-N 1 0 318.295 2.901 20 5 DFBDRO CN1CCC[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433304282 429021517 /nfs/dbraw/zinc/02/15/17/429021517.db2.gz MTQQUMGVWFVQRK-HUUCEWRRSA-N 1 0 317.389 2.528 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421769793 429031105 /nfs/dbraw/zinc/03/11/05/429031105.db2.gz INOUYKCWYOGANV-CYBMUJFWSA-N 1 0 307.394 2.672 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccn1)c1ccc(F)cc1[N+](=O)[O-] ZINC000433430204 429032665 /nfs/dbraw/zinc/03/26/65/429032665.db2.gz DZJQHUMWFDWVIV-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000423619168 428983080 /nfs/dbraw/zinc/98/30/80/428983080.db2.gz HZEAKEHTYOWGTK-GHMZBOCLSA-N 1 0 323.418 2.577 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423742912 429006868 /nfs/dbraw/zinc/00/68/68/429006868.db2.gz LHDGJMBFJAWKQS-DGCLKSJQSA-N 1 0 305.378 2.575 20 5 DFBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCSC1 ZINC000433196764 429009501 /nfs/dbraw/zinc/00/95/01/429009501.db2.gz MPBSFOSGVBUVFQ-MRXNPFEDSA-N 1 0 324.446 2.981 20 5 DFBDRO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000452092169 429053475 /nfs/dbraw/zinc/05/34/75/429053475.db2.gz SRABGXRJJOJZQD-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](CCCO)C2)ccc1[N+](=O)[O-] ZINC000452113469 429059936 /nfs/dbraw/zinc/05/99/36/429059936.db2.gz BZRXOGAHGXNYEU-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO COc1cc(CN(C)[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000452114152 429060705 /nfs/dbraw/zinc/06/07/05/429060705.db2.gz JRNXWGAESMNSDQ-AWEZNQCLSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423993455 429073327 /nfs/dbraw/zinc/07/33/27/429073327.db2.gz HODOHZUQQHGEAO-IINYFYTJSA-N 1 0 319.405 2.577 20 5 DFBDRO C[C@@H]1NCCC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423382768 429076199 /nfs/dbraw/zinc/07/61/99/429076199.db2.gz PCQJUGOTWJJBHR-APHBMKBZSA-N 1 0 303.406 2.646 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000376212872 429077066 /nfs/dbraw/zinc/07/70/66/429077066.db2.gz WEQBPUNRRCAZOX-YOGCLGLASA-N 1 0 323.780 2.733 20 5 DFBDRO Nc1ccc(N2CCC([NH2+]C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000376221111 429078552 /nfs/dbraw/zinc/07/85/52/429078552.db2.gz SXUCHGCQSFYTCS-UHFFFAOYSA-N 1 0 304.394 2.678 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000423383786 429078967 /nfs/dbraw/zinc/07/89/67/429078967.db2.gz FGCVLLZVHGDHBX-MBNYWOFBSA-N 1 0 307.394 2.642 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1F ZINC000363957270 429147097 /nfs/dbraw/zinc/14/70/97/429147097.db2.gz FADRCJSWMNXBQC-MNOVXSKESA-N 1 0 309.341 2.781 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000376617893 429148756 /nfs/dbraw/zinc/14/87/56/429148756.db2.gz KRUVQJBAAFVYCR-CYBMUJFWSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000435584317 429150939 /nfs/dbraw/zinc/15/09/39/429150939.db2.gz LCGNRWMDBYHXJC-OAHLLOKOSA-N 1 0 318.421 3.507 20 5 DFBDRO CCOc1ccc([C@@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423502990 429102329 /nfs/dbraw/zinc/10/23/29/429102329.db2.gz DKJJLKNRKJYXNX-PBFPGSCMSA-N 1 0 321.421 2.971 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000261911737 274957423 /nfs/dbraw/zinc/95/74/23/274957423.db2.gz QIWPWQOPPZFXBP-KCPJHIHWSA-N 1 0 312.373 2.707 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@H]2C1 ZINC000376484446 429121070 /nfs/dbraw/zinc/12/10/70/429121070.db2.gz NEVOHOHBELWMAW-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H](C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376496815 429123290 /nfs/dbraw/zinc/12/32/90/429123290.db2.gz ZVWXAVBNBLKYKM-LBPRGKRZSA-N 1 0 321.352 2.794 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H](C2CC2)C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000376496814 429124531 /nfs/dbraw/zinc/12/45/31/429124531.db2.gz ZVWXAVBNBLKYKM-GFCCVEGCSA-N 1 0 321.352 2.794 20 5 DFBDRO [NH3+]C1(c2noc(CNc3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424345680 429129861 /nfs/dbraw/zinc/12/98/61/429129861.db2.gz NEZIKRMOYQFLIQ-UHFFFAOYSA-N 1 0 317.349 2.708 20 5 DFBDRO [NH3+]C1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000435369915 429132570 /nfs/dbraw/zinc/13/25/70/429132570.db2.gz GQRYTSOYSFNBOE-UHFFFAOYSA-N 1 0 318.402 2.641 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[NH+](CC2CC2)CC1 ZINC000276721532 275034521 /nfs/dbraw/zinc/03/45/21/275034521.db2.gz ZKNPQEQMLOYRAJ-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO COc1cccc(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000488750091 429195180 /nfs/dbraw/zinc/19/51/80/429195180.db2.gz NFBIBFAVIVXROZ-KCQAQPDRSA-N 1 0 319.405 2.770 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000456159756 429251697 /nfs/dbraw/zinc/25/16/97/429251697.db2.gz HCCJVJOQFLQPFN-DGCLKSJQSA-N 1 0 320.393 2.551 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000364709009 429253084 /nfs/dbraw/zinc/25/30/84/429253084.db2.gz JPYWBUHUMSBZCJ-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000425277011 429256077 /nfs/dbraw/zinc/25/60/77/429256077.db2.gz CAYBVSCSRDMLJL-XJKSGUPXSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(C)CC1 ZINC000449083150 429326811 /nfs/dbraw/zinc/32/68/11/429326811.db2.gz SCKYZSRNRSLTEX-OAHLLOKOSA-N 1 0 305.422 2.847 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CCCCC1 ZINC000449085808 429327545 /nfs/dbraw/zinc/32/75/45/429327545.db2.gz AKKZQJLLVRLGOM-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449082533 429327793 /nfs/dbraw/zinc/32/77/93/429327793.db2.gz NYQXDTQPCURSPR-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000236575844 275535299 /nfs/dbraw/zinc/53/52/99/275535299.db2.gz YWSOUXGYJZKTHF-UHFFFAOYSA-N 1 0 319.405 2.894 20 5 DFBDRO COc1cc(N2CCC[C@@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000365562172 429341743 /nfs/dbraw/zinc/34/17/43/429341743.db2.gz ZHVOKILQGNXQQK-GFCCVEGCSA-N 1 0 316.361 2.721 20 5 DFBDRO CC1(C)CCCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000446061099 429296348 /nfs/dbraw/zinc/29/63/48/429296348.db2.gz KLFXDQLXUAKIPH-AWEZNQCLSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])[C@H](C)CO ZINC000425443033 429296533 /nfs/dbraw/zinc/29/65/33/429296533.db2.gz IZWAUEJKFANOSV-SECBINFHSA-N 1 0 317.183 2.560 20 5 DFBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425460337 429302092 /nfs/dbraw/zinc/30/20/92/429302092.db2.gz RKLHTEHVFKESTQ-SECBINFHSA-N 1 0 317.183 2.824 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425496244 429310454 /nfs/dbraw/zinc/31/04/54/429310454.db2.gz AGRALQIGXMZFOT-IUODEOHRSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425503500 429312411 /nfs/dbraw/zinc/31/24/11/429312411.db2.gz SLWJHVCPTYNYSY-CHWSQXEVSA-N 1 0 301.350 2.584 20 5 DFBDRO COc1ccncc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340899 429393439 /nfs/dbraw/zinc/39/34/39/429393439.db2.gz QXAZDPQBWDODGR-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@H](CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCC1 ZINC000518038227 429409337 /nfs/dbraw/zinc/40/93/37/429409337.db2.gz RFXXZKAZNHYOFE-LLVKDONJSA-N 1 0 317.345 2.555 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000449166587 429349552 /nfs/dbraw/zinc/34/95/52/429349552.db2.gz DXFNBJBXOWFNKK-HIFRSBDPSA-N 1 0 314.389 2.890 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000449181643 429350153 /nfs/dbraw/zinc/35/01/53/429350153.db2.gz IBZRZVUDDXEHTD-GXTWGEPZSA-N 1 0 319.405 2.515 20 5 DFBDRO CCc1nnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449211070 429357848 /nfs/dbraw/zinc/35/78/48/429357848.db2.gz WWWSREZFQQTHDW-MNOVXSKESA-N 1 0 303.366 2.557 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000514743435 429369878 /nfs/dbraw/zinc/36/98/78/429369878.db2.gz QVMWCZIFOBYTNF-JTQLQIEISA-N 1 0 315.320 2.727 20 5 DFBDRO C[C@@H](Cc1ccoc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000449280428 429375581 /nfs/dbraw/zinc/37/55/81/429375581.db2.gz ADRHXDOSFJRIDN-JTQLQIEISA-N 1 0 300.318 2.785 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000449279141 429376421 /nfs/dbraw/zinc/37/64/21/429376421.db2.gz OFLPMMQXTITBFM-LBPRGKRZSA-N 1 0 305.378 2.508 20 5 DFBDRO Cc1ccoc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000426301524 429381364 /nfs/dbraw/zinc/38/13/64/429381364.db2.gz NIUKTALAKCMAAZ-STQMWFEESA-N 1 0 304.350 2.966 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Oc3ccccn3)C2)cc1 ZINC000366274668 429445257 /nfs/dbraw/zinc/44/52/57/429445257.db2.gz ZHRFOWJDLFTCRV-INIZCTEOSA-N 1 0 313.357 2.686 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449580955 429453664 /nfs/dbraw/zinc/45/36/64/429453664.db2.gz VWRXXFCVVJTWDF-XCRGBYMUSA-N 1 0 318.373 2.929 20 5 DFBDRO CC[C@@](C)(C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449477226 429429259 /nfs/dbraw/zinc/42/92/59/429429259.db2.gz OQPWNWINIHJRFS-LRDDRELGSA-N 1 0 323.393 2.717 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(CF)CCOCC1 ZINC000449484357 429431133 /nfs/dbraw/zinc/43/11/33/429431133.db2.gz GSARZGFCILEAHU-HYXAFXHYSA-N 1 0 308.353 2.964 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449498801 429435532 /nfs/dbraw/zinc/43/55/32/429435532.db2.gz LEBGWUUIZYIWGK-HNNXBMFYSA-N 1 0 300.362 2.708 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000449679657 429476898 /nfs/dbraw/zinc/47/68/98/429476898.db2.gz AQOPYSSALZOYAR-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@@]2(CCCOC2)O1 ZINC000366579670 429480672 /nfs/dbraw/zinc/48/06/72/429480672.db2.gz RKKHNDCEPIMGHK-MLGOLLRUSA-N 1 0 324.352 2.504 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])[C@H](C)C1 ZINC000519732794 429483822 /nfs/dbraw/zinc/48/38/22/429483822.db2.gz UWRNYGNWFGONRM-TZMCWYRMSA-N 1 0 306.410 2.773 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000366618327 429488291 /nfs/dbraw/zinc/48/82/91/429488291.db2.gz DTPGBMMLNUDJSN-XJKSGUPXSA-N 1 0 319.405 2.520 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000520161133 429500656 /nfs/dbraw/zinc/50/06/56/429500656.db2.gz JTYUUQGLLZPPAR-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000449784763 429509441 /nfs/dbraw/zinc/50/94/41/429509441.db2.gz CHUCCQMGMLKYDF-INIZCTEOSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000366835974 429524104 /nfs/dbraw/zinc/52/41/04/429524104.db2.gz CLHGBTSQYUOYSG-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000236784723 275846204 /nfs/dbraw/zinc/84/62/04/275846204.db2.gz HLRWXYJAVRZRJD-LBPRGKRZSA-N 1 0 319.405 2.703 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000521895822 429567795 /nfs/dbraw/zinc/56/77/95/429567795.db2.gz GXKFKLORDIRSIS-AWEZNQCLSA-N 1 0 319.405 2.674 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429000939 429568506 /nfs/dbraw/zinc/56/85/06/429568506.db2.gz GIMPQATWAIFBSJ-IIDMSEBBSA-N 1 0 317.433 2.799 20 5 DFBDRO CCOc1cc(C[N@H+](C)CC2CCOCC2)ccc1[N+](=O)[O-] ZINC000492581792 429570186 /nfs/dbraw/zinc/57/01/86/429570186.db2.gz JNWSCGPAIKVWSO-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c([N+](=O)[O-])cc1F ZINC000367071938 429572132 /nfs/dbraw/zinc/57/21/32/429572132.db2.gz DDHLTSCTIMQLNL-MRXNPFEDSA-N 1 0 324.352 2.745 20 5 DFBDRO Cc1nc(NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000450267025 429589939 /nfs/dbraw/zinc/58/99/39/429589939.db2.gz ARIQOUDUSAJZEJ-IAQYHMDHSA-N 1 0 307.398 2.616 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000450214465 429580114 /nfs/dbraw/zinc/58/01/14/429580114.db2.gz HPDVOAKXCJPFIS-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]CC2(C3CC3)CCC2)c1 ZINC000521031114 429535546 /nfs/dbraw/zinc/53/55/46/429535546.db2.gz QETUMDSDVAPXLO-OAHLLOKOSA-N 1 0 320.389 2.504 20 5 DFBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908104 429538867 /nfs/dbraw/zinc/53/88/67/429538867.db2.gz CCPVVWABSMBRFB-BLLLJJGKSA-N 1 0 322.336 2.509 20 5 DFBDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580227 429618045 /nfs/dbraw/zinc/61/80/45/429618045.db2.gz UCHWGOIZRQQFSI-JSGCOSHPSA-N 1 0 317.389 2.604 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000429678069 429624961 /nfs/dbraw/zinc/62/49/61/429624961.db2.gz ANZWWUMCEDORAM-KBPBESRZSA-N 1 0 305.378 2.509 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429930717 429640167 /nfs/dbraw/zinc/64/01/67/429640167.db2.gz XUPQBMBXCLJAGL-UHFFFAOYSA-N 1 0 321.421 2.576 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000450550972 429647120 /nfs/dbraw/zinc/64/71/20/429647120.db2.gz ZEPXDXFQJTWRJO-GFCCVEGCSA-N 1 0 317.389 2.718 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450549320 429647479 /nfs/dbraw/zinc/64/74/79/429647479.db2.gz VMHHQRADLKXZPM-LLVKDONJSA-N 1 0 307.369 2.963 20 5 DFBDRO CC[N@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450279137 429591249 /nfs/dbraw/zinc/59/12/49/429591249.db2.gz SRXUJNDTXLVFRL-UHFFFAOYSA-N 1 0 306.391 3.082 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450309178 429596189 /nfs/dbraw/zinc/59/61/89/429596189.db2.gz RFYUFERRKXQNAJ-CYBMUJFWSA-N 1 0 318.402 2.859 20 5 DFBDRO CCOc1cc(CN2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000492724487 429603032 /nfs/dbraw/zinc/60/30/32/429603032.db2.gz SSSQTBKLKOLRHE-UHFFFAOYSA-N 1 0 321.421 2.956 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429528875 429612205 /nfs/dbraw/zinc/61/22/05/429612205.db2.gz NYBLBTSUGUDPTG-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000430214496 429662443 /nfs/dbraw/zinc/66/24/43/429662443.db2.gz ZOGFQEPDKWWYIV-UKRRQHHQSA-N 1 0 306.362 2.604 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000430217149 429662689 /nfs/dbraw/zinc/66/26/89/429662689.db2.gz ILTLZKWCGHZRJQ-HIFRSBDPSA-N 1 0 320.389 2.852 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246431 429666831 /nfs/dbraw/zinc/66/68/31/429666831.db2.gz WFLXIXZTSGQGMR-CQSZACIVSA-N 1 0 321.421 2.767 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000102069513 276128764 /nfs/dbraw/zinc/12/87/64/276128764.db2.gz FSDABXALQJIYHX-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CCOc1cccc(N2CC[C@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292181913 276381315 /nfs/dbraw/zinc/38/13/15/276381315.db2.gz FKPWKTZSFSMNBJ-INIZCTEOSA-N 1 0 305.378 2.526 20 5 DFBDRO Cc1nc(NCC2([NH+](C)C)CCCCCC2)ccc1[N+](=O)[O-] ZINC000471620126 429713204 /nfs/dbraw/zinc/71/32/04/429713204.db2.gz RGUILJUNKOWTBI-UHFFFAOYSA-N 1 0 306.410 3.365 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430952298 429729203 /nfs/dbraw/zinc/72/92/03/429729203.db2.gz YQIYRGVOAOGZSA-IUODEOHRSA-N 1 0 307.394 2.551 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493295374 429730287 /nfs/dbraw/zinc/73/02/87/429730287.db2.gz XVDYWKQKGSPIMQ-HJWRWDBZSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127125 429744036 /nfs/dbraw/zinc/74/40/36/429744036.db2.gz IVHUUJZRVSEPFM-CZUORRHYSA-N 1 0 322.405 2.701 20 5 DFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000431130467 429745064 /nfs/dbraw/zinc/74/50/64/429745064.db2.gz VMHYKALNQDYCAB-HOCLYGCPSA-N 1 0 322.405 2.701 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@H]2C1 ZINC000486040600 429748496 /nfs/dbraw/zinc/74/84/96/429748496.db2.gz UARLKGVSDHSTSX-BETUJISGSA-N 1 0 319.405 2.770 20 5 DFBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451142147 429774582 /nfs/dbraw/zinc/77/45/82/429774582.db2.gz FTSAJIJOSKSMOH-AXFHLTTASA-N 1 0 320.315 2.843 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368058974 429778332 /nfs/dbraw/zinc/77/83/32/429778332.db2.gz AYUCNEHODVXHED-QGZVFWFLSA-N 1 0 322.405 2.834 20 5 DFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000432349092 429815832 /nfs/dbraw/zinc/81/58/32/429815832.db2.gz UYOBXDDXENUDDK-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000451415256 429826632 /nfs/dbraw/zinc/82/66/32/429826632.db2.gz FNSQPUCKWDJPME-FMKPAKJESA-N 1 0 320.389 2.729 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000368319933 429830658 /nfs/dbraw/zinc/83/06/58/429830658.db2.gz VTIFDZXCRDKUDM-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000451485350 429834176 /nfs/dbraw/zinc/83/41/76/429834176.db2.gz COSZJOKDPUMKBQ-QWHCGFSZSA-N 1 0 300.305 2.776 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451486410 429834432 /nfs/dbraw/zinc/83/44/32/429834432.db2.gz DJTVMURBXZHQGE-IMJJTQAJSA-N 1 0 318.373 2.651 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000451480252 429834969 /nfs/dbraw/zinc/83/49/69/429834969.db2.gz PVXXRSIAIWJGQL-DAXOMENPSA-N 1 0 320.389 2.767 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451491282 429835926 /nfs/dbraw/zinc/83/59/26/429835926.db2.gz BGUYFSVYWPABLG-VQISRLSMSA-N 1 0 308.378 2.753 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451514195 429839273 /nfs/dbraw/zinc/83/92/73/429839273.db2.gz ZMTPDWRGXKNUQL-GJZGRUSLSA-N 1 0 308.378 2.897 20 5 DFBDRO O=C1[C@@H]([NH+]2CCC3(CC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000368424520 429845909 /nfs/dbraw/zinc/84/59/09/429845909.db2.gz KZVYULKXQULXPL-HNNXBMFYSA-N 1 0 315.373 2.576 20 5 DFBDRO Cc1nccn1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545598 429849982 /nfs/dbraw/zinc/84/99/82/429849982.db2.gz HTLVVDUELVLUEU-MRXNPFEDSA-N 1 0 314.389 2.979 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000451552819 429852004 /nfs/dbraw/zinc/85/20/04/429852004.db2.gz YZSMNQPBSGBRNO-SWLSCSKDSA-N 1 0 308.378 2.850 20 5 DFBDRO CC[C@H](C)NC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568703 429857052 /nfs/dbraw/zinc/85/70/52/429857052.db2.gz OAKSLHQOBQWFFY-ZFWWWQNUSA-N 1 0 319.405 2.689 20 5 DFBDRO Cc1cc(N2CCCC3(CC[NH+](C)CC3)C2)ncc1[N+](=O)[O-] ZINC000368533175 429863486 /nfs/dbraw/zinc/86/34/86/429863486.db2.gz AAPGUCFPVMHPTN-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000368219574 429810206 /nfs/dbraw/zinc/81/02/06/429810206.db2.gz KQWCGPVEUFTNTR-AWEZNQCLSA-N 1 0 300.362 2.767 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000493706967 429813507 /nfs/dbraw/zinc/81/35/07/429813507.db2.gz MQOGXWWSQGNTKC-HZPDHXFCSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451720813 429878413 /nfs/dbraw/zinc/87/84/13/429878413.db2.gz YNNQCJWPDUMRAI-XJKCOSOUSA-N 1 0 320.389 2.586 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000451726723 429879065 /nfs/dbraw/zinc/87/90/65/429879065.db2.gz VTMGXOHVPVXTCS-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000368669889 429885259 /nfs/dbraw/zinc/88/52/59/429885259.db2.gz BREIBRPPDUAUHF-HUUCEWRRSA-N 1 0 317.389 2.860 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000368706265 429889132 /nfs/dbraw/zinc/88/91/32/429889132.db2.gz IOAVCIGYUJVJIU-ZACQAIPSSA-N 1 0 320.389 2.719 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)o1 ZINC000368801149 429895342 /nfs/dbraw/zinc/89/53/42/429895342.db2.gz WJMLZJLZUWZNLH-INIZCTEOSA-N 1 0 314.341 2.812 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC23CCCCC3)c1 ZINC000368898011 429900529 /nfs/dbraw/zinc/90/05/29/429900529.db2.gz VTAISXBBCRJXLW-HNNXBMFYSA-N 1 0 320.389 2.743 20 5 DFBDRO CC(C)[NH2+]CCCNc1ncc([N+](=O)[O-])cc1Br ZINC000573467676 429954133 /nfs/dbraw/zinc/95/41/33/429954133.db2.gz QBQMTBXPDXZXEH-UHFFFAOYSA-N 1 0 317.187 2.552 20 5 DFBDRO C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000573841532 429988490 /nfs/dbraw/zinc/98/84/90/429988490.db2.gz XQAOUMGJHDJRDJ-NSHDSACASA-N 1 0 323.418 2.655 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@@H](CO)C3CCCCC3)nc2c1 ZINC000559841975 430014524 /nfs/dbraw/zinc/01/45/24/430014524.db2.gz HRBKKZVHZIOIPS-HNNXBMFYSA-N 1 0 318.377 2.502 20 5 DFBDRO Cc1cccc(NCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000574219402 430023937 /nfs/dbraw/zinc/02/39/37/430023937.db2.gz MNIHHVXEEGDJLL-HNNXBMFYSA-N 1 0 312.373 2.987 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562216953 430111358 /nfs/dbraw/zinc/11/13/58/430111358.db2.gz AEOWGZCCOQQVPR-ZIAGYGMSSA-N 1 0 321.421 2.935 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000577851039 430117289 /nfs/dbraw/zinc/11/72/89/430117289.db2.gz XZOCUAQKLXHEPX-NEPJUHHUSA-N 1 0 300.362 3.195 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000581081738 430178183 /nfs/dbraw/zinc/17/81/83/430178183.db2.gz FDSIYGAYPVGANQ-CHWSQXEVSA-N 1 0 322.409 2.553 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C1 ZINC000302850864 277199151 /nfs/dbraw/zinc/19/91/51/277199151.db2.gz ITJJMXFKGOHNLA-AOOOYVTPSA-N 1 0 315.295 2.611 20 5 DFBDRO COC[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000278609060 277246216 /nfs/dbraw/zinc/24/62/16/277246216.db2.gz BBHKFHFMELNOGO-IUODEOHRSA-N 1 0 308.378 2.568 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@@H+]1C1CC1 ZINC000581485439 430213181 /nfs/dbraw/zinc/21/31/81/430213181.db2.gz VEHIYDMKQTWPPC-DGCLKSJQSA-N 1 0 316.405 2.906 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[C@@H]1CCC[NH2+]C1 ZINC000581894314 430248817 /nfs/dbraw/zinc/24/88/17/430248817.db2.gz OTTIOABPBBTSQZ-HNNXBMFYSA-N 1 0 319.405 2.722 20 5 DFBDRO Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000547449734 430394374 /nfs/dbraw/zinc/39/43/74/430394374.db2.gz UPJFLVJRVMJQCT-CYBMUJFWSA-N 1 0 320.393 2.755 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000583499821 430401142 /nfs/dbraw/zinc/40/11/42/430401142.db2.gz BCVOVXRZLPBMML-MRXNPFEDSA-N 1 0 301.321 2.796 20 5 DFBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000548159983 430453903 /nfs/dbraw/zinc/45/39/03/430453903.db2.gz CHQGIGAMCNDPFF-ZFWWWQNUSA-N 1 0 307.394 2.705 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000584225887 430470610 /nfs/dbraw/zinc/47/06/10/430470610.db2.gz GOGZIEOEMFCIGM-UHFFFAOYSA-N 1 0 318.377 2.571 20 5 DFBDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569659259 430473427 /nfs/dbraw/zinc/47/34/27/430473427.db2.gz CJTDPJOAPGTOEI-UKRRQHHQSA-N 1 0 319.405 2.641 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000548454014 430477034 /nfs/dbraw/zinc/47/70/34/430477034.db2.gz KBUIVNQKXYZZDG-OAHLLOKOSA-N 1 0 305.378 2.541 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547798826 430424017 /nfs/dbraw/zinc/42/40/17/430424017.db2.gz JAHZYZLCARNKJR-HNNXBMFYSA-N 1 0 305.378 2.541 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000569916376 430496540 /nfs/dbraw/zinc/49/65/40/430496540.db2.gz GGOJDWWXIKPXDO-GFCCVEGCSA-N 1 0 320.393 2.621 20 5 DFBDRO O=C(CC[NH2+]Cc1cccs1)Nc1ccccc1[N+](=O)[O-] ZINC000548761177 430499527 /nfs/dbraw/zinc/49/95/27/430499527.db2.gz NSOYFJHAGPQXAP-UHFFFAOYSA-N 1 0 305.359 2.775 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569988653 430504101 /nfs/dbraw/zinc/50/41/01/430504101.db2.gz UAMZGSPOABHHGF-ZUEPYMLJSA-N 1 0 317.389 2.619 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043455 430507775 /nfs/dbraw/zinc/50/77/75/430507775.db2.gz XTJDYUBRDJUDEM-CABCVRRESA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12 ZINC000549039577 430516035 /nfs/dbraw/zinc/51/60/35/430516035.db2.gz QJQSGRQHASZWBX-MAZHCROVSA-N 1 0 317.389 2.707 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H](C)C1CC1 ZINC000571290553 430618209 /nfs/dbraw/zinc/61/82/09/430618209.db2.gz ZBTANTWHESRHHK-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000287118543 277939382 /nfs/dbraw/zinc/93/93/82/277939382.db2.gz XBUYLNKTDPHKEE-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H]1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507156 430633217 /nfs/dbraw/zinc/63/32/17/430633217.db2.gz SCIUIHRQAGFLAV-CXAGYDPISA-N 1 0 303.406 2.904 20 5 DFBDRO COc1cccc(N2CCC3(CCC[N@@H+]3C)CC2)c1[N+](=O)[O-] ZINC000375345783 278015646 /nfs/dbraw/zinc/01/56/46/278015646.db2.gz RKGARRJXAWATEA-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000353549327 278031474 /nfs/dbraw/zinc/03/14/74/278031474.db2.gz PQISDZQKKJBNKD-SWLSCSKDSA-N 1 0 319.405 2.931 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261923422 278036788 /nfs/dbraw/zinc/03/67/88/278036788.db2.gz BXPWSOVAJJGDIA-KRWDZBQOSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)c1ncc([N+](=O)[O-])cc1Cl ZINC000272514328 278220100 /nfs/dbraw/zinc/22/01/00/278220100.db2.gz MXRJXIWUNYLFSJ-JTQLQIEISA-N 1 0 312.801 2.810 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000262409540 278313371 /nfs/dbraw/zinc/31/33/71/278313371.db2.gz DALZEIFVFHOOLT-RKDXNWHRSA-N 1 0 318.299 2.572 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000408171669 278665314 /nfs/dbraw/zinc/66/53/14/278665314.db2.gz MGAFVTSOENSFTR-AWEZNQCLSA-N 1 0 304.394 2.671 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193921002 288077440 /nfs/dbraw/zinc/07/74/40/288077440.db2.gz ZOQZNJGIKZGYQJ-DOMZBBRYSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246345 279004894 /nfs/dbraw/zinc/00/48/94/279004894.db2.gz PZBCVCNUPJMACR-HIFRSBDPSA-N 1 0 300.362 2.669 20 5 DFBDRO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000175488634 279106454 /nfs/dbraw/zinc/10/64/54/279106454.db2.gz JPYBLGWDTQWCSA-ZDUSSCGKSA-N 1 0 322.409 2.605 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342473 279881361 /nfs/dbraw/zinc/88/13/61/279881361.db2.gz SVTYZLZKFQOLTG-WPRPVWTQSA-N 1 0 303.284 2.787 20 5 DFBDRO C[S@@](=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000282336956 280178521 /nfs/dbraw/zinc/17/85/21/280178521.db2.gz OMLCMKXBDFMWRC-RCDICMHDSA-N 1 0 322.430 2.818 20 5 DFBDRO Cc1cc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)cc([N+](=O)[O-])c1 ZINC000368418815 280322922 /nfs/dbraw/zinc/32/29/22/280322922.db2.gz GVZJRUYKCXWGMA-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000246761844 281008649 /nfs/dbraw/zinc/00/86/49/281008649.db2.gz OTHZAFSPNKAEEN-KGLIPLIRSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000320409389 281016595 /nfs/dbraw/zinc/01/65/95/281016595.db2.gz XFIHNCCZEHGKPL-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000278303704 281257711 /nfs/dbraw/zinc/25/77/11/281257711.db2.gz IYVIALSYSBCOCD-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000120599075 281259260 /nfs/dbraw/zinc/25/92/60/281259260.db2.gz KDBVDPMWPOPCCZ-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415710579 289122962 /nfs/dbraw/zinc/12/29/62/289122962.db2.gz ZVKRHAASKDNZJJ-LLVKDONJSA-N 1 0 320.393 2.705 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415765870 289133205 /nfs/dbraw/zinc/13/32/05/289133205.db2.gz RRCMELRRUOTZJU-NSHDSACASA-N 1 0 308.382 2.796 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000279653864 290266754 /nfs/dbraw/zinc/26/67/54/290266754.db2.gz BWWBTUVYARSPRV-QLFBSQMISA-N 1 0 321.421 2.697 20 5 DFBDRO CN1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000436369593 296999789 /nfs/dbraw/zinc/99/97/89/296999789.db2.gz LBIFAVOODQHQSO-OAHLLOKOSA-N 1 0 311.385 2.993 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCOCC1 ZINC000155979972 295329109 /nfs/dbraw/zinc/32/91/09/295329109.db2.gz MDJVUASHGVSAJP-UHFFFAOYSA-N 1 0 305.334 2.594 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370792834 295465014 /nfs/dbraw/zinc/46/50/14/295465014.db2.gz FDDYTJPBGLKASA-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cc(NC[C@@H]2CC[C@H](C)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397938325 295489121 /nfs/dbraw/zinc/48/91/21/295489121.db2.gz YLHWIGOWSMHPIX-AAEUAGOBSA-N 1 0 301.346 2.853 20 5 DFBDRO CCCCNC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000411477147 295541819 /nfs/dbraw/zinc/54/18/19/295541819.db2.gz RIDJZGGCMSPDSO-CYBMUJFWSA-N 1 0 307.394 2.860 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411969172 295572249 /nfs/dbraw/zinc/57/22/49/295572249.db2.gz LGCFCXGPYGCEOM-ZBEGNZNMSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485749 297094965 /nfs/dbraw/zinc/09/49/65/297094965.db2.gz FHDISPXMSDIVFV-STQMWFEESA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000438488682 297095350 /nfs/dbraw/zinc/09/53/50/297095350.db2.gz HRQHDBOYRMUTIO-OLZOCXBDSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000247782539 297100034 /nfs/dbraw/zinc/10/00/34/297100034.db2.gz TYNWFFYSNKFGLN-MNOVXSKESA-N 1 0 323.780 2.557 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000439422099 297125659 /nfs/dbraw/zinc/12/56/59/297125659.db2.gz PGYYJXRUUDQMPL-MRXNPFEDSA-N 1 0 319.405 2.788 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCO[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000439463400 297126722 /nfs/dbraw/zinc/12/67/22/297126722.db2.gz BLVISOWSKBTXLB-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1cc(C)cc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)c1 ZINC000444690258 297245431 /nfs/dbraw/zinc/24/54/31/297245431.db2.gz JHEIPMDGMIZQCT-UHFFFAOYSA-N 1 0 315.373 2.505 20 5 DFBDRO CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](CC)CC ZINC000446426334 297282761 /nfs/dbraw/zinc/28/27/61/297282761.db2.gz YZDRGMOOUOFRFB-MRXNPFEDSA-N 1 0 319.405 2.600 20 5 DFBDRO C[C@H](CC1CCOCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000446841575 297287936 /nfs/dbraw/zinc/28/79/36/297287936.db2.gz RGCRKEPFDVJCNG-LLVKDONJSA-N 1 0 318.377 2.766 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCOCC2CC2)n1 ZINC000447510731 297305828 /nfs/dbraw/zinc/30/58/28/297305828.db2.gz ZVKCZUCNFYSSLZ-HUUCEWRRSA-N 1 0 322.409 2.681 20 5 DFBDRO COCCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529925 297306905 /nfs/dbraw/zinc/30/69/05/297306905.db2.gz NCTXRBQPLAXYDU-KGLIPLIRSA-N 1 0 310.398 2.681 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447588019 297309412 /nfs/dbraw/zinc/30/94/12/297309412.db2.gz SIJGHLRBARYUMC-XDQVBPFNSA-N 1 0 322.409 2.678 20 5 DFBDRO CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587017 297309600 /nfs/dbraw/zinc/30/96/00/297309600.db2.gz PVJVGKSAUKWSSV-OAHLLOKOSA-N 1 0 319.405 2.867 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CC(F)F)CCC2 ZINC000447602666 297310289 /nfs/dbraw/zinc/31/02/89/297310289.db2.gz VBKOQVIMFIJEFT-MFKMUULPSA-N 1 0 300.305 2.578 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000447846253 297320758 /nfs/dbraw/zinc/32/07/58/297320758.db2.gz XMCDDJQHRCUIIG-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449067539 297399779 /nfs/dbraw/zinc/39/97/79/297399779.db2.gz MHEHUCTVPCIVTJ-LBPRGKRZSA-N 1 0 316.405 2.708 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000449140629 297412060 /nfs/dbraw/zinc/41/20/60/297412060.db2.gz JMOHVLYZLWOBCE-BLLLJJGKSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2c(n1)CCCC2 ZINC000449219014 297424624 /nfs/dbraw/zinc/42/46/24/297424624.db2.gz LVXPRWSRNNJFKD-CYBMUJFWSA-N 1 0 314.389 2.848 20 5 DFBDRO CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449373789 297455631 /nfs/dbraw/zinc/45/56/31/297455631.db2.gz CUAQZONTRVVLJW-IUODEOHRSA-N 1 0 323.393 2.717 20 5 DFBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1(C[NH3+])CCC1 ZINC000449675961 297510508 /nfs/dbraw/zinc/51/05/08/297510508.db2.gz DICRKEFPYBLALC-UHFFFAOYSA-N 1 0 319.405 2.846 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743330 297524245 /nfs/dbraw/zinc/52/42/45/297524245.db2.gz WRSGPPMEUCBFEG-FFSVYQOJSA-N 1 0 317.389 2.948 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C2CCC2)CC1 ZINC000450876625 297706128 /nfs/dbraw/zinc/70/61/28/297706128.db2.gz JQULQZURRPJIME-UHFFFAOYSA-N 1 0 307.398 2.548 20 5 DFBDRO CCOc1cc(CN2CC[NH+]([C@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000451843989 297885603 /nfs/dbraw/zinc/88/56/03/297885603.db2.gz OAXWFHVIDBRMCW-CQSZACIVSA-N 1 0 321.421 2.910 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000452072134 297919876 /nfs/dbraw/zinc/91/98/76/297919876.db2.gz SSCAKOARNWJQSZ-AGIUHOORSA-N 1 0 319.405 2.998 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CNC(C)(C)C[NH+]1CCCC1 ZINC000452093958 297924133 /nfs/dbraw/zinc/92/41/33/297924133.db2.gz ICJGLCYMTLJGLJ-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO CC[C@@H](C(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452837104 298033514 /nfs/dbraw/zinc/03/35/14/298033514.db2.gz DVGGNPMVYWUZCS-ZBFHGGJFSA-N 1 0 319.405 2.641 20 5 DFBDRO CCC[C@H]([NH2+]CC[C@@](C)(O)COC)c1cccc([N+](=O)[O-])c1 ZINC000453258118 298077388 /nfs/dbraw/zinc/07/73/88/298077388.db2.gz OBNNWBFGCVCEOM-JKSUJKDBSA-N 1 0 310.394 2.813 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000453296388 298081040 /nfs/dbraw/zinc/08/10/40/298081040.db2.gz YKCJHBCWRDVOQJ-DOMZBBRYSA-N 1 0 307.394 2.748 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453338827 298085064 /nfs/dbraw/zinc/08/50/64/298085064.db2.gz YYATTYAUHIIAJB-KBRIMQKVSA-N 1 0 320.389 2.613 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453376954 298088069 /nfs/dbraw/zinc/08/80/69/298088069.db2.gz VITVUKCLKMVINR-RWSFTLGLSA-N 1 0 317.389 2.561 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000453420780 298093299 /nfs/dbraw/zinc/09/32/99/298093299.db2.gz ZSRCFDNIQYFHFW-QGZVFWFLSA-N 1 0 312.373 2.903 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454131371 298123489 /nfs/dbraw/zinc/12/34/89/298123489.db2.gz DERMYUWUHWXRQO-UHFFFAOYSA-N 1 0 308.382 2.837 20 5 DFBDRO C[N@H+](CCCCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000454130644 298123636 /nfs/dbraw/zinc/12/36/36/298123636.db2.gz BIZHCAJDYGFKFL-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000454359498 298161767 /nfs/dbraw/zinc/16/17/67/298161767.db2.gz SJZUYAWMQFTLIE-CQSZACIVSA-N 1 0 306.366 2.541 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455133603 298305303 /nfs/dbraw/zinc/30/53/03/298305303.db2.gz CFBBPHRCMXPLIZ-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO CC(C)[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500069311 300205177 /nfs/dbraw/zinc/20/51/77/300205177.db2.gz GYQBRPKRCXXOSK-ZDUSSCGKSA-N 1 0 305.378 2.901 20 5 DFBDRO C[C@H]1C[C@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000503374611 300220196 /nfs/dbraw/zinc/22/01/96/300220196.db2.gz KEGBHSPCNBISGQ-XHDPSFHLSA-N 1 0 320.780 2.970 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000515388401 300304420 /nfs/dbraw/zinc/30/44/20/300304420.db2.gz ATIKAWJITVONAJ-LRDDRELGSA-N 1 0 301.390 2.656 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000515413261 300305378 /nfs/dbraw/zinc/30/53/78/300305378.db2.gz JNJMSAGHIIQQRZ-CABCVRRESA-N 1 0 317.389 2.782 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643224 300316376 /nfs/dbraw/zinc/31/63/76/300316376.db2.gz GZNHUDCOPPAAES-GJZGRUSLSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516454909 300342905 /nfs/dbraw/zinc/34/29/05/300342905.db2.gz YRQAYADNRGVDNQ-RBSFLKMASA-N 1 0 322.405 2.750 20 5 DFBDRO CCOc1cc(N2CC[NH+](CC3(C)CC3)CC2)ccc1[N+](=O)[O-] ZINC000525999934 300617261 /nfs/dbraw/zinc/61/72/61/300617261.db2.gz QYJMNRBPDZVTDB-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO CCOc1cc(N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000531146602 301082538 /nfs/dbraw/zinc/08/25/38/301082538.db2.gz BLXFGWPGJSVZAO-UHFFFAOYSA-N 1 0 307.394 2.960 20 5 DFBDRO COC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531479102 301093645 /nfs/dbraw/zinc/09/36/45/301093645.db2.gz ACVMWZCEGQUBBI-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CCCC1=O ZINC000531701125 301104544 /nfs/dbraw/zinc/10/45/44/301104544.db2.gz XCULGTZQVOGZNM-STQMWFEESA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCOC(C)(C)C1 ZINC000531704582 301105035 /nfs/dbraw/zinc/10/50/35/301105035.db2.gz MLCZMIXSJIBSGN-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C(N)=O)CCCC1 ZINC000531967799 301122163 /nfs/dbraw/zinc/12/21/63/301122163.db2.gz QYTFJAOSHMUUTD-GFCCVEGCSA-N 1 0 305.378 2.600 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000532025170 301125897 /nfs/dbraw/zinc/12/58/97/301125897.db2.gz RILISYUPDKOLSF-CHWSQXEVSA-N 1 0 304.346 2.690 20 5 DFBDRO Cc1cc(N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000532168091 301134439 /nfs/dbraw/zinc/13/44/39/301134439.db2.gz ZYAHDRSZWOSEPS-RDJZCZTQSA-N 1 0 319.405 2.959 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532200504 301136637 /nfs/dbraw/zinc/13/66/37/301136637.db2.gz QRHLKDFKGJKSRO-GFCCVEGCSA-N 1 0 305.378 2.565 20 5 DFBDRO C[C@@H]1C[C@@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000532582145 301160777 /nfs/dbraw/zinc/16/07/77/301160777.db2.gz NMZJQDNXLLQAAO-VXGBXAGGSA-N 1 0 319.361 2.623 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000532572198 301160788 /nfs/dbraw/zinc/16/07/88/301160788.db2.gz NQBUTMBQXMBFFC-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CC(C)[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000532664767 301166325 /nfs/dbraw/zinc/16/63/25/301166325.db2.gz GAMZEJPTVXTVIZ-UHFFFAOYSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1nccn1CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534229540 301221328 /nfs/dbraw/zinc/22/13/28/301221328.db2.gz NMTLPQRAVQWDSP-UHFFFAOYSA-N 1 0 300.362 2.548 20 5 DFBDRO O=C1CCCN1CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000534277811 301223576 /nfs/dbraw/zinc/22/35/76/301223576.db2.gz IMXOAOXRNARHHU-UHFFFAOYSA-N 1 0 317.389 2.572 20 5 DFBDRO CC[C@H](C(=O)N1CCc2c(cccc2[N+](=O)[O-])C1)[NH+](CC)CC ZINC000536043017 301267176 /nfs/dbraw/zinc/26/71/76/301267176.db2.gz CYPHGXXRXQXFOF-OAHLLOKOSA-N 1 0 319.405 2.600 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCC[NH+](C)C ZINC000538316186 301319792 /nfs/dbraw/zinc/31/97/92/301319792.db2.gz WFFQQUJGKVGOMZ-UHFFFAOYSA-N 1 0 307.394 2.544 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC000538391378 301320785 /nfs/dbraw/zinc/32/07/85/301320785.db2.gz ZDIDYYDXRFCKQR-AWEZNQCLSA-N 1 0 323.393 2.956 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000539491572 301343396 /nfs/dbraw/zinc/34/33/96/301343396.db2.gz QODRVADSOJJCID-CQSZACIVSA-N 1 0 307.394 2.972 20 5 DFBDRO COC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000546629196 301504458 /nfs/dbraw/zinc/50/44/58/301504458.db2.gz INABJKFMRFHXDC-LBPRGKRZSA-N 1 0 300.330 2.503 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000548793897 301615087 /nfs/dbraw/zinc/61/50/87/301615087.db2.gz SNPCYVDMZDQKAC-OAHLLOKOSA-N 1 0 306.362 2.652 20 5 DFBDRO CC[NH+]1C[C@H](C)N(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000554754114 301752710 /nfs/dbraw/zinc/75/27/10/301752710.db2.gz ZDGREFTXUUQLEO-MELADBBJSA-N 1 0 319.405 2.639 20 5 DFBDRO Cc1cc(N2CCC[C@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000561264594 301930176 /nfs/dbraw/zinc/93/01/76/301930176.db2.gz GQGKUZFGUGUKLS-GFCCVEGCSA-N 1 0 300.362 2.627 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H]2CCC[NH2+]CC2)c1 ZINC000562975528 302020521 /nfs/dbraw/zinc/02/05/21/302020521.db2.gz MZLQKMDLHXWTOK-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO CC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000562998654 302023257 /nfs/dbraw/zinc/02/32/57/302023257.db2.gz AAXHJHKZFPEJIO-CQSZACIVSA-N 1 0 308.378 2.504 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000194469669 302039189 /nfs/dbraw/zinc/03/91/89/302039189.db2.gz INVJPUXBTLQKRR-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO C[NH2+]CCSCc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-] ZINC000563883428 302105484 /nfs/dbraw/zinc/10/54/84/302105484.db2.gz OTGYZIMTIJDTDF-UHFFFAOYSA-N 1 0 322.333 2.657 20 5 DFBDRO CCN(C(=O)CCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000563897848 302107363 /nfs/dbraw/zinc/10/73/63/302107363.db2.gz YTLOMISOHYBTQQ-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000565225165 302209733 /nfs/dbraw/zinc/20/97/33/302209733.db2.gz OCQAYFCLTRHKCA-OAHLLOKOSA-N 1 0 319.405 2.594 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000565226159 302210488 /nfs/dbraw/zinc/21/04/88/302210488.db2.gz KIXAODDFZUKCMB-ZDUSSCGKSA-N 1 0 322.409 2.698 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565230234 302210732 /nfs/dbraw/zinc/21/07/32/302210732.db2.gz QBTUUZPZNLNUTN-QLFBSQMISA-N 1 0 318.373 2.904 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000565396781 302221929 /nfs/dbraw/zinc/22/19/29/302221929.db2.gz VYZFBLLNBJDWGO-CZUORRHYSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000565992503 302251988 /nfs/dbraw/zinc/25/19/88/302251988.db2.gz ITPDEZLOLOCYCS-KSSFIOAISA-N 1 0 314.385 2.892 20 5 DFBDRO COCC1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566222352 302268628 /nfs/dbraw/zinc/26/86/28/302268628.db2.gz VJFUPRGVTVGJET-ZIAGYGMSSA-N 1 0 322.409 2.681 20 5 DFBDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473503 302290501 /nfs/dbraw/zinc/29/05/01/302290501.db2.gz BWLSTNWNFKZQHQ-ZDUSSCGKSA-N 1 0 306.362 2.904 20 5 DFBDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566473502 302290641 /nfs/dbraw/zinc/29/06/41/302290641.db2.gz BWLSTNWNFKZQHQ-CYBMUJFWSA-N 1 0 306.362 2.904 20 5 DFBDRO CC(C)[C@H](CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566788692 302311909 /nfs/dbraw/zinc/31/19/09/302311909.db2.gz MYVDZKHSOBXSHW-JKSUJKDBSA-N 1 0 306.406 2.770 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000567302753 302348172 /nfs/dbraw/zinc/34/81/72/302348172.db2.gz RXJRWNHDXWNUHX-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CCCSC1)Nc1ccccc1[N+](=O)[O-] ZINC000569214808 302505510 /nfs/dbraw/zinc/50/55/10/302505510.db2.gz UDDPYJRHCXIINB-LBPRGKRZSA-N 1 0 323.418 2.656 20 5 DFBDRO CCN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000571150631 302606376 /nfs/dbraw/zinc/60/63/76/302606376.db2.gz NFBGHPSHLJSSQS-CABCVRRESA-N 1 0 323.441 2.595 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572223460 302649674 /nfs/dbraw/zinc/64/96/74/302649674.db2.gz MMHGBFIMNNULMB-ZDUSSCGKSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180393734 316032856 /nfs/dbraw/zinc/03/28/56/316032856.db2.gz DPGJWIIQBKQFDW-ZDUSSCGKSA-N 1 0 313.357 2.908 20 5 DFBDRO CN(CCC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000182020142 316082844 /nfs/dbraw/zinc/08/28/44/316082844.db2.gz GAOLSYWLSMGOOX-UHFFFAOYSA-N 1 0 321.402 2.833 20 5 DFBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000182184990 316089034 /nfs/dbraw/zinc/08/90/34/316089034.db2.gz YVVPETCAEAMQAO-AWEZNQCLSA-N 1 0 308.378 2.597 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCO1 ZINC000182296819 316094992 /nfs/dbraw/zinc/09/49/92/316094992.db2.gz HFZRFZKEMZRXSQ-DGCLKSJQSA-N 1 0 305.334 2.783 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183039062 316127976 /nfs/dbraw/zinc/12/79/76/316127976.db2.gz CCODYFYMUSHKAQ-RYUDHWBXSA-N 1 0 323.393 2.956 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000183252753 316135213 /nfs/dbraw/zinc/13/52/13/316135213.db2.gz JSQZDXDKSSSQSC-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO O=[N+]([O-])c1ccc(COc2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000319120736 316250558 /nfs/dbraw/zinc/25/05/58/316250558.db2.gz ICZURDQGQIFVLX-UHFFFAOYSA-N 1 0 300.314 2.656 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000321559210 316256967 /nfs/dbraw/zinc/25/69/67/316256967.db2.gz FZPLXDZBTSXRDY-JKSUJKDBSA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2COc3ccccc3C2)cc1 ZINC000328497091 316263784 /nfs/dbraw/zinc/26/37/84/316263784.db2.gz VHNHIKGLHYHJQT-CQSZACIVSA-N 1 0 314.341 2.567 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C34CCC[NH+]3CCC4)n2)c1 ZINC000351176407 316481617 /nfs/dbraw/zinc/48/16/17/316481617.db2.gz BKROECOMLJKEFF-UHFFFAOYSA-N 1 0 300.318 2.730 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000360020997 316573901 /nfs/dbraw/zinc/57/39/01/316573901.db2.gz VNKWINNHERSJCE-UKRRQHHQSA-N 1 0 300.362 2.847 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414788241 316657517 /nfs/dbraw/zinc/65/75/17/316657517.db2.gz DBGMBRLQLKNKMS-HNNXBMFYSA-N 1 0 303.362 2.928 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421861129 316776219 /nfs/dbraw/zinc/77/62/19/316776219.db2.gz UAKYRNLREDFJLY-XEZPLFJOSA-N 1 0 319.405 2.927 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000446486489 317012872 /nfs/dbraw/zinc/01/28/72/317012872.db2.gz WGMKHSGENXJUHI-FZMZJTMJSA-N 1 0 306.366 2.507 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccsc1 ZINC000449247548 317031931 /nfs/dbraw/zinc/03/19/31/317031931.db2.gz GJWJWKAPKSSMGW-FZMZJTMJSA-N 1 0 306.387 2.911 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(F)C1 ZINC000449378034 317033859 /nfs/dbraw/zinc/03/38/59/317033859.db2.gz VAFUUUXWVCZWCG-VLRKGOCCSA-N 1 0 309.341 2.792 20 5 DFBDRO CC(C)(C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000449643084 317046466 /nfs/dbraw/zinc/04/64/66/317046466.db2.gz HQMFIVLARMYVIP-JSGCOSHPSA-N 1 0 319.405 2.506 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1 ZINC000451427931 317109353 /nfs/dbraw/zinc/10/93/53/317109353.db2.gz VZYMWLGMLPMSHE-GVDBMIGSSA-N 1 0 320.389 2.599 20 5 DFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000452031566 317118632 /nfs/dbraw/zinc/11/86/32/317118632.db2.gz AFGQXWYJJLQQQN-HZPDHXFCSA-N 1 0 308.378 2.911 20 5 DFBDRO CCc1ncc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453393347 317182182 /nfs/dbraw/zinc/18/21/82/317182182.db2.gz RNVDPWAKLVFLPN-STQMWFEESA-N 1 0 319.365 2.615 20 5 DFBDRO CCn1nncc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459503023 317325900 /nfs/dbraw/zinc/32/59/00/317325900.db2.gz GKEBUWIWRFSLHN-AWEZNQCLSA-N 1 0 315.377 2.586 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049561 317363114 /nfs/dbraw/zinc/36/31/14/317363114.db2.gz MMXNOGYPPXNEIR-HIFRSBDPSA-N 1 0 319.405 2.955 20 5 DFBDRO C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000566183082 317941486 /nfs/dbraw/zinc/94/14/86/317941486.db2.gz ANTMNLUXQDPYRV-LLVKDONJSA-N 1 0 323.418 2.655 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000570891326 317971052 /nfs/dbraw/zinc/97/10/52/317971052.db2.gz HIFANLYKKPZEPO-ZDUSSCGKSA-N 1 0 307.394 2.812 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000573395952 318017804 /nfs/dbraw/zinc/01/78/04/318017804.db2.gz ZHZLFAVTKSUMSC-ZHAHWJHGSA-N 1 0 313.304 2.555 20 5 DFBDRO COc1ccc(OCCOc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC000575039275 318058221 /nfs/dbraw/zinc/05/82/21/318058221.db2.gz CGYQZEQEWUZZFG-UHFFFAOYSA-N 1 0 318.329 2.520 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000575922484 318091930 /nfs/dbraw/zinc/09/19/30/318091930.db2.gz CYDKNPGEJZGJKH-LBPRGKRZSA-N 1 0 305.378 2.637 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2cccc(O)c2)n1 ZINC000576543581 318133499 /nfs/dbraw/zinc/13/34/99/318133499.db2.gz CMKSXALNCLYPMR-LSDHHAIUSA-N 1 0 316.361 2.770 20 5 DFBDRO CCOc1cc(N2CC[C@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000576809339 318151376 /nfs/dbraw/zinc/15/13/76/318151376.db2.gz QMUVNEPXYPZFAT-MRXNPFEDSA-N 1 0 305.378 2.573 20 5 DFBDRO Cc1nc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[nH]c1C ZINC000577192018 318177563 /nfs/dbraw/zinc/17/75/63/318177563.db2.gz FQHZCFPMQFDBBQ-UHFFFAOYSA-N 1 0 308.769 2.920 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1Cc1csc([N+](=O)[O-])c1 ZINC000577280534 318182906 /nfs/dbraw/zinc/18/29/06/318182906.db2.gz WLWHQKGCWKHVQH-AWEZNQCLSA-N 1 0 303.387 2.714 20 5 DFBDRO C[NH+](C)CCN(c1ncc([N+](=O)[O-])cc1Cl)C1CCCC1 ZINC000578305176 318251668 /nfs/dbraw/zinc/25/16/68/318251668.db2.gz PKWSLSCJHRLCPU-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946980 318296126 /nfs/dbraw/zinc/29/61/26/318296126.db2.gz CXVUTQKHJKYWJK-BBRMVZONSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000578949623 318296417 /nfs/dbraw/zinc/29/64/17/318296417.db2.gz NYVXSFPNWUUEAO-CHWSQXEVSA-N 1 0 300.362 2.879 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579258397 318318649 /nfs/dbraw/zinc/31/86/49/318318649.db2.gz LTJLKEFNWBJOON-ABAIWWIYSA-N 1 0 300.362 2.536 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccnn1C ZINC000579521392 318336195 /nfs/dbraw/zinc/33/61/95/318336195.db2.gz VKSKHDFEMJUZPL-NSHDSACASA-N 1 0 313.361 2.703 20 5 DFBDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000579795835 318354019 /nfs/dbraw/zinc/35/40/19/318354019.db2.gz SIXJDEJJZWWUMJ-RBSFLKMASA-N 1 0 324.425 2.662 20 5 DFBDRO CN(C)[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000580034691 318369937 /nfs/dbraw/zinc/36/99/37/318369937.db2.gz XPHAHWMOPQMPIR-IRXDYDNUSA-N 1 0 303.406 2.902 20 5 DFBDRO C[NH+](C)CCN(c1ncc(Cl)cc1[N+](=O)[O-])C1CCCC1 ZINC000580050807 318371790 /nfs/dbraw/zinc/37/17/90/318371790.db2.gz ABKYTZMPSVWPEZ-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO C[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093183 318375777 /nfs/dbraw/zinc/37/57/77/318375777.db2.gz BJGUHNOCTVISGQ-CZUORRHYSA-N 1 0 303.406 2.904 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000580112553 318376942 /nfs/dbraw/zinc/37/69/42/318376942.db2.gz HFDMROYOCIYWOL-AWEZNQCLSA-N 1 0 304.394 2.529 20 5 DFBDRO Cn1cncc1CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000580293188 323365456 /nfs/dbraw/zinc/36/54/56/323365456.db2.gz JRWLKSSIRQKVFR-QGZVFWFLSA-N 1 0 314.389 2.928 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000580364294 323375140 /nfs/dbraw/zinc/37/51/40/323375140.db2.gz JOUQTHRSUJTXDL-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO COCCC[NH+]1CCC(Nc2c(OC)cccc2[N+](=O)[O-])CC1 ZINC000581513919 323533253 /nfs/dbraw/zinc/53/32/53/323533253.db2.gz OSZVCYQSMSZQQL-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582542468 323690672 /nfs/dbraw/zinc/69/06/72/323690672.db2.gz XKCQFTJHPLNVGJ-FMKPAKJESA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582716123 323723604 /nfs/dbraw/zinc/72/36/04/323723604.db2.gz DPEJZDNCRZFTKP-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583510462 323870293 /nfs/dbraw/zinc/87/02/93/323870293.db2.gz SDBNIGGVNANXTB-OAHLLOKOSA-N 1 0 319.405 2.820 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@@H]1[NH3+] ZINC000423958594 337730008 /nfs/dbraw/zinc/73/00/08/337730008.db2.gz DSYJMNUTVFHKNG-PXAZEXFGSA-N 1 0 305.381 2.807 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430195055 500703857 /nfs/dbraw/zinc/70/38/57/500703857.db2.gz MQFJKHZKPSXJGN-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@H](CCNc1nc2sccn2c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302120621 533945829 /nfs/dbraw/zinc/94/58/29/533945829.db2.gz DJKFEAJWDHOYTM-LLVKDONJSA-N 1 0 323.422 2.980 20 5 DFBDRO CSc1ccc(C(=O)NCCC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000294936865 534184102 /nfs/dbraw/zinc/18/41/02/534184102.db2.gz VABWSGNDYVSJAD-GFCCVEGCSA-N 1 0 323.418 2.579 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)c1 ZINC000302113931 534244926 /nfs/dbraw/zinc/24/49/26/534244926.db2.gz VMLKKUSMFOEBCF-UHFFFAOYSA-N 1 0 321.377 2.666 20 5 DFBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1CC)[NH+](C)C ZINC000195344007 517539834 /nfs/dbraw/zinc/53/98/34/517539834.db2.gz WEZWWBJLCZJAFI-ZDUSSCGKSA-N 1 0 311.430 2.898 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000286194375 517723830 /nfs/dbraw/zinc/72/38/30/517723830.db2.gz PUVLNIYXJOGMKI-KGLIPLIRSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH2+]Cc2cccnc2)c1 ZINC000316429231 534328437 /nfs/dbraw/zinc/32/84/37/534328437.db2.gz LJFOBUAWYGIBEQ-UHFFFAOYSA-N 1 0 300.362 2.890 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000320409394 534332057 /nfs/dbraw/zinc/33/20/57/534332057.db2.gz XFIHNCCZEHGKPL-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1nc(NCC2CC[NH+](CCC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000297425033 534487361 /nfs/dbraw/zinc/48/73/61/534487361.db2.gz HLZMIQUPRXEDTO-UHFFFAOYSA-N 1 0 321.425 2.863 20 5 DFBDRO CCOc1cc(CN2CCC[N@@H+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000365190033 520697372 /nfs/dbraw/zinc/69/73/72/520697372.db2.gz MYHPISNGZAAQSO-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CCOc1cc(CN2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000365195177 520700934 /nfs/dbraw/zinc/70/09/34/520700934.db2.gz ZQKUJFWSJZNVMP-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO CC[NH+]1CCC(N(C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000157516253 521564662 /nfs/dbraw/zinc/56/46/62/521564662.db2.gz WDCYZMLWEIGYFX-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163913551 521878606 /nfs/dbraw/zinc/87/86/06/521878606.db2.gz FSKICOGHTAKQEF-NUTKFTJISA-N 1 0 306.406 2.913 20 5 DFBDRO COc1cc(N2CCC([NH2+]C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000268188659 522628848 /nfs/dbraw/zinc/62/88/48/522628848.db2.gz VOYYVLYPPMGDFL-UHFFFAOYSA-N 1 0 311.357 2.709 20 5 DFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000363641678 523179674 /nfs/dbraw/zinc/17/96/74/523179674.db2.gz QKWBPLRODKFCCQ-BPLDGKMQSA-N 1 0 308.353 2.979 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCCC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000364838783 523818899 /nfs/dbraw/zinc/81/88/99/523818899.db2.gz LAABGRHREZYGIC-UHFFFAOYSA-N 1 0 317.389 2.966 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@@]3(CCC[C@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365095073 523887527 /nfs/dbraw/zinc/88/75/27/523887527.db2.gz QHAZNYXVTMBXCH-WBVHZDCISA-N 1 0 317.389 2.501 20 5 DFBDRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000361455611 525401986 /nfs/dbraw/zinc/40/19/86/525401986.db2.gz DWPOGIFKHPZWMH-LLVKDONJSA-N 1 0 313.348 2.975 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000364899656 525574717 /nfs/dbraw/zinc/57/47/17/525574717.db2.gz DEKDKHTXYRHVPW-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1c(C[N@@H+]2CCOC3(CCOCC3)CC2)cccc1[N+](=O)[O-] ZINC000364240822 525704106 /nfs/dbraw/zinc/70/41/06/525704106.db2.gz LZLAGWIOHHLIHE-UHFFFAOYSA-N 1 0 320.389 2.675 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330716368 526732112 /nfs/dbraw/zinc/73/21/12/526732112.db2.gz UHBDLHQVZZYKIY-ZFWWWQNUSA-N 1 0 322.405 2.703 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cnc(C3CC3)nc2)cs1 ZINC000339499790 527329743 /nfs/dbraw/zinc/32/97/43/527329743.db2.gz UEFBFZHHTMEWAB-UHFFFAOYSA-N 1 0 304.375 2.656 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3[C@H]4COC[C@H]43)o2)cc1 ZINC000367604029 527342627 /nfs/dbraw/zinc/34/26/27/527342627.db2.gz QPKDYMBUGZCJAO-PHZGNYQRSA-N 1 0 314.341 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCN2 ZINC000365046081 527380432 /nfs/dbraw/zinc/38/04/32/527380432.db2.gz ABRYZLSVMYJXFO-VXGBXAGGSA-N 1 0 302.378 2.602 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@H+](Cc2ccncc2)C2CC2)c1 ZINC000180760081 527393943 /nfs/dbraw/zinc/39/39/43/527393943.db2.gz CHEQBDLPRMYSGC-QGZVFWFLSA-N 1 0 313.357 2.688 20 5 DFBDRO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296759470 528210803 /nfs/dbraw/zinc/21/08/03/528210803.db2.gz QJONZWDTDZQTNR-STQMWFEESA-N 1 0 307.394 2.940 20 5 DFBDRO CCOc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000301983385 528309331 /nfs/dbraw/zinc/30/93/31/528309331.db2.gz RMUKOGNCSDJZCB-DZGCQCFKSA-N 1 0 319.405 2.914 20 5 DFBDRO CCCNC(=O)CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000298836313 528361840 /nfs/dbraw/zinc/36/18/40/528361840.db2.gz HQIKRJNYFJZTSG-HNNXBMFYSA-N 1 0 307.394 2.942 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+]C2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000292859091 528511671 /nfs/dbraw/zinc/51/16/71/528511671.db2.gz AOUSSFHZXNXOIU-UHFFFAOYSA-N 1 0 321.377 2.710 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330735296 528990621 /nfs/dbraw/zinc/99/06/21/528990621.db2.gz MRYHDGMKPHIGKG-UHFFFAOYSA-N 1 0 305.378 2.540 20 5 DFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331745854 529249459 /nfs/dbraw/zinc/24/94/59/529249459.db2.gz YPYDHVCGYUZPHY-OCCSQVGLSA-N 1 0 317.389 2.747 20 5 DFBDRO CCC(CC)(C[NH3+])C(=O)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000261835939 534934580 /nfs/dbraw/zinc/93/45/80/534934580.db2.gz OQVHTLNULCDNIR-UHFFFAOYSA-N 1 0 313.785 2.630 20 5 DFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@@H]21 ZINC000172964699 535043737 /nfs/dbraw/zinc/04/37/37/535043737.db2.gz YPFBXXXPYZDPQO-BETUJISGSA-N 1 0 314.345 2.733 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000355871624 535060391 /nfs/dbraw/zinc/06/03/91/535060391.db2.gz HDIFUNBNNQIATN-UHFFFAOYSA-N 1 0 313.423 2.847 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000247004554 535875841 /nfs/dbraw/zinc/87/58/41/535875841.db2.gz QMDXIWXNPUTILG-CABCVRRESA-N 1 0 317.389 2.602 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCCC1 ZINC000361014132 535971054 /nfs/dbraw/zinc/97/10/54/535971054.db2.gz MAIALWCMPJVONC-GFCCVEGCSA-N 1 0 309.414 2.796 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CCC(C[NH+](C)C)CC1 ZINC000192709877 536144498 /nfs/dbraw/zinc/14/44/98/536144498.db2.gz ODPADCJFACOKCC-UHFFFAOYSA-N 1 0 309.414 2.652 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000261701714 536346164 /nfs/dbraw/zinc/34/61/64/536346164.db2.gz IBWOBAPYHSJZIW-QMMMGPOBSA-N 1 0 302.290 2.541 20 5 DFBDRO COc1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)cc1[N+](=O)[O-] ZINC000261967661 536823251 /nfs/dbraw/zinc/82/32/51/536823251.db2.gz YPJDCQPMUPTRBQ-CYBMUJFWSA-N 1 0 323.368 2.711 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000358030625 536896655 /nfs/dbraw/zinc/89/66/55/536896655.db2.gz XZNDFCCHHULXNZ-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820425720 606619528 /nfs/dbraw/zinc/61/95/28/606619528.db2.gz BGQWOJMEEPECND-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000820425719 606619647 /nfs/dbraw/zinc/61/96/47/606619647.db2.gz BGQWOJMEEPECND-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000278379456 214127931 /nfs/dbraw/zinc/12/79/31/214127931.db2.gz LNDRBDWGXKXKQP-NEPJUHHUSA-N 1 0 304.394 2.848 20 5 DFBDRO CSC[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272869469 210260472 /nfs/dbraw/zinc/26/04/72/210260472.db2.gz SILHBOIVPQOEDG-HNNXBMFYSA-N 1 0 321.402 2.977 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000162874994 197597448 /nfs/dbraw/zinc/59/74/48/197597448.db2.gz YGRCYLQGJZQASV-NSHDSACASA-N 1 0 311.407 2.564 20 5 DFBDRO CCC[C@H]([NH2+]CC1(O)CC(OCC)C1)c1cccc([N+](=O)[O-])c1 ZINC000278564754 214241229 /nfs/dbraw/zinc/24/12/29/214241229.db2.gz WWYZVOLZJWKBAU-CGZBRXJRSA-N 1 0 322.405 2.956 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000078966904 185136733 /nfs/dbraw/zinc/13/67/33/185136733.db2.gz SNCCFLGTJPCOCW-MRXNPFEDSA-N 1 0 313.357 2.935 20 5 DFBDRO Cc1c(C(=O)Nc2cccc3c2C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000323320303 231214946 /nfs/dbraw/zinc/21/49/46/231214946.db2.gz TVRHZCAJLFWCFB-UHFFFAOYSA-N 1 0 311.341 2.801 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000322122836 231209062 /nfs/dbraw/zinc/20/90/62/231209062.db2.gz RPNCBJXURBCTLN-GJZGRUSLSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1c(C[NH2+]Cc2c[nH]nc2-c2cccnc2)cccc1[N+](=O)[O-] ZINC000326244620 231227659 /nfs/dbraw/zinc/22/76/59/231227659.db2.gz YTJJVSRGTPWYTM-UHFFFAOYSA-N 1 0 323.356 2.978 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279267949 214749750 /nfs/dbraw/zinc/74/97/50/214749750.db2.gz NBLSDFJZMNXNGW-INWMFGNUSA-N 1 0 308.378 2.503 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000066137626 398358939 /nfs/dbraw/zinc/35/89/39/398358939.db2.gz BRJGFULKAINTHQ-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000066157079 398359945 /nfs/dbraw/zinc/35/99/45/398359945.db2.gz CPLXAAVVWMTBRS-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596229720 398363285 /nfs/dbraw/zinc/36/32/85/398363285.db2.gz DWKAMJKHZMJDGX-PWSUYJOCSA-N 1 0 320.349 2.830 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H](O)C(F)F ZINC000295016823 529624516 /nfs/dbraw/zinc/62/45/16/529624516.db2.gz KCPFHANWBYVGTH-WDEREUQCSA-N 1 0 308.712 2.742 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000090549465 185302431 /nfs/dbraw/zinc/30/24/31/185302431.db2.gz VVAXTLYBUGBERW-CQSZACIVSA-N 1 0 307.394 2.515 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000090549335 185302522 /nfs/dbraw/zinc/30/25/22/185302522.db2.gz SHNDBVZGJABJTI-KRWDZBQOSA-N 1 0 317.389 2.579 20 5 DFBDRO C[C@H](c1ccco1)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090559368 185303652 /nfs/dbraw/zinc/30/36/52/185303652.db2.gz XIPZMEYTGZERGN-GFCCVEGCSA-N 1 0 317.345 2.575 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCC[C@H]1O ZINC000245525594 398385728 /nfs/dbraw/zinc/38/57/28/398385728.db2.gz AALVADJZUXQKEY-WMLDXEAASA-N 1 0 322.405 2.847 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000596335993 398388981 /nfs/dbraw/zinc/38/89/81/398388981.db2.gz KGKXIBYLYXBYGG-SECBINFHSA-N 1 0 321.406 2.884 20 5 DFBDRO COCCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130381 398389327 /nfs/dbraw/zinc/38/93/27/398389327.db2.gz GKHNVBXWPONGQZ-WKILWMFISA-N 1 0 322.405 2.737 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1-c1ccccc1 ZINC000245887278 398388753 /nfs/dbraw/zinc/38/87/53/398388753.db2.gz NZHMLEQFPJQYHA-HNNXBMFYSA-N 1 0 324.384 2.941 20 5 DFBDRO C[N@H+](CCC(C)(C)C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000592144972 398391682 /nfs/dbraw/zinc/39/16/82/398391682.db2.gz LEMCARPCWCSTLP-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO C[C@H]1CC2(C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)CCOCC2 ZINC000592181100 398397058 /nfs/dbraw/zinc/39/70/58/398397058.db2.gz CECOHNQZROQHMT-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO C[C@@H](C(=O)NCC[NH+]1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000584697757 398398364 /nfs/dbraw/zinc/39/83/64/398398364.db2.gz PWQWKCUYFXXLRQ-CQSZACIVSA-N 1 0 319.405 2.691 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000592183635 398399145 /nfs/dbraw/zinc/39/91/45/398399145.db2.gz VBKPVJVKEBHYNU-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181550219 199315893 /nfs/dbraw/zinc/31/58/93/199315893.db2.gz VHZQOMUTXQZQGJ-BBRMVZONSA-N 1 0 319.405 2.894 20 5 DFBDRO CCCN(C(=O)Nc1cccc([N+](=O)[O-])c1C)[C@H]1CC[N@H+](C)C1 ZINC000592212800 398403003 /nfs/dbraw/zinc/40/30/03/398403003.db2.gz KVGNGZLMTCZEES-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(NCCNC(=O)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272802920 210204316 /nfs/dbraw/zinc/20/43/16/210204316.db2.gz FHMSLEGQRPBDRY-UHFFFAOYSA-N 1 0 316.361 2.636 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C)C1 ZINC000592252176 398408148 /nfs/dbraw/zinc/40/81/48/398408148.db2.gz VJPGQSAVXYEGIH-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254085 398408429 /nfs/dbraw/zinc/40/84/29/398408429.db2.gz SSXQTXXPWPAHEH-RYUDHWBXSA-N 1 0 323.418 2.508 20 5 DFBDRO C[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(F)F ZINC000592372825 398417101 /nfs/dbraw/zinc/41/71/01/398417101.db2.gz RTXXKPVVMUYJAN-SECBINFHSA-N 1 0 316.304 2.747 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000596446780 398414354 /nfs/dbraw/zinc/41/43/54/398414354.db2.gz NSZPXHYYKPCUFL-GFCCVEGCSA-N 1 0 306.366 2.589 20 5 DFBDRO CC(C)(c1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592356983 398414371 /nfs/dbraw/zinc/41/43/71/398414371.db2.gz OQCQTVPTJZMUNT-GFCCVEGCSA-N 1 0 302.334 2.728 20 5 DFBDRO O=[N+]([O-])c1ccc(Cc2nc([C@@H]3CCC[NH2+]3)no2)c(Cl)c1 ZINC000592356685 398414967 /nfs/dbraw/zinc/41/49/67/398414967.db2.gz FFEAVCPHVUKHQY-NSHDSACASA-N 1 0 308.725 2.647 20 5 DFBDRO C[N@H+](CCCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000294743810 529884885 /nfs/dbraw/zinc/88/48/85/529884885.db2.gz XBIBROFVJNRELI-UHFFFAOYSA-N 1 0 306.284 2.818 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000254916949 398423598 /nfs/dbraw/zinc/42/35/98/398423598.db2.gz IRLIXBSZORJYIT-ZDTYVGOBSA-N 1 0 312.373 2.831 20 5 DFBDRO C[NH+](C)Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000023899084 398427322 /nfs/dbraw/zinc/42/73/22/398427322.db2.gz ZKIAOXHWSGDHTE-UHFFFAOYSA-N 1 0 305.359 2.970 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000592396116 398421129 /nfs/dbraw/zinc/42/11/29/398421129.db2.gz HHBLDSBBVBXVTK-GUYCJALGSA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000067164620 398421351 /nfs/dbraw/zinc/42/13/51/398421351.db2.gz VJGHLKPNZTWGKA-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000067210202 398423041 /nfs/dbraw/zinc/42/30/41/398423041.db2.gz LGXFPEFCRQUBGI-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000592466671 398430296 /nfs/dbraw/zinc/43/02/96/398430296.db2.gz WPJYSLRIZDHQQY-CYBMUJFWSA-N 1 0 306.410 2.678 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000088720042 398440646 /nfs/dbraw/zinc/44/06/46/398440646.db2.gz XKHSQJPPPIVZBO-UHFFFAOYSA-N 1 0 319.405 2.960 20 5 DFBDRO CNC(=O)c1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000067446239 398434886 /nfs/dbraw/zinc/43/48/86/398434886.db2.gz PFLRPEQZCBAIPM-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO CCC[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000596516873 398436850 /nfs/dbraw/zinc/43/68/50/398436850.db2.gz ITCROJVAATZHEA-VIFPVBQESA-N 1 0 318.299 2.905 20 5 DFBDRO COCC[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268016162 398444364 /nfs/dbraw/zinc/44/43/64/398444364.db2.gz UBBSNURMSAPTKJ-CYBMUJFWSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[C@H]1CN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC[C@@H]1[NH3+] ZINC000592545469 398444986 /nfs/dbraw/zinc/44/49/86/398444986.db2.gz SZKTZQCAJNJKSP-KBPBESRZSA-N 1 0 319.405 2.719 20 5 DFBDRO Nc1c(F)c(NC[C@@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570465 398450133 /nfs/dbraw/zinc/45/01/33/398450133.db2.gz LZGKOTYDROFXCA-LBPRGKRZSA-N 1 0 322.384 2.850 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000026159413 398450919 /nfs/dbraw/zinc/45/09/19/398450919.db2.gz WVHHKSJMYUNAOZ-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[NH+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000459458832 299111087 /nfs/dbraw/zinc/11/10/87/299111087.db2.gz JRJQKNGTNZDCCS-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO CC1(C)Cc2n[nH]cc2CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000596598089 398457665 /nfs/dbraw/zinc/45/76/65/398457665.db2.gz ALSXSJMTECLNRN-UHFFFAOYSA-N 1 0 306.391 2.964 20 5 DFBDRO CCC[NH+](CCC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000027269943 398461445 /nfs/dbraw/zinc/46/14/45/398461445.db2.gz LSJBPECIULXIHZ-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1 ZINC000089724168 398464231 /nfs/dbraw/zinc/46/42/31/398464231.db2.gz AXFFFWROKLWABJ-BBRMVZONSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1ccc(C[N@H+](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000067826429 398459933 /nfs/dbraw/zinc/45/99/33/398459933.db2.gz NOSFNBOUYIDGEL-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC(CO)CC1 ZINC000089924501 398469308 /nfs/dbraw/zinc/46/93/08/398469308.db2.gz NXCOOHRYSWMVCN-UHFFFAOYSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)[NH+](CCCNc1cc(N)c([N+](=O)[O-])c(CO)c1)C(C)C ZINC000587989572 398474239 /nfs/dbraw/zinc/47/42/39/398474239.db2.gz UMLDLDACWOJUCP-UHFFFAOYSA-N 1 0 324.425 2.590 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCn2cnnc2C2CC2)cccc1[N+](=O)[O-] ZINC000090032378 398474553 /nfs/dbraw/zinc/47/45/53/398474553.db2.gz NSLVDBUPTLWWTI-LBPRGKRZSA-N 1 0 315.377 2.723 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000090046821 398475497 /nfs/dbraw/zinc/47/54/97/398475497.db2.gz FNGMWCFUVGNKAY-GJZGRUSLSA-N 1 0 321.421 2.665 20 5 DFBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000181764597 199349162 /nfs/dbraw/zinc/34/91/62/199349162.db2.gz PORHFGSTQKENQF-INIZCTEOSA-N 1 0 315.373 2.888 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000181783438 199351847 /nfs/dbraw/zinc/35/18/47/199351847.db2.gz MSUKAEYKJZNVKN-LBPRGKRZSA-N 1 0 317.345 2.728 20 5 DFBDRO Cn1cncc1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501969 299122502 /nfs/dbraw/zinc/12/25/02/299122502.db2.gz FQJBLZCHZSDNBK-OAHLLOKOSA-N 1 0 314.389 2.750 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000068223389 398487736 /nfs/dbraw/zinc/48/77/36/398487736.db2.gz DAFBZLRUCDSAAR-AWEZNQCLSA-N 1 0 307.394 2.609 20 5 DFBDRO CCCN(C(=O)c1ccc(CC)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592828111 398491311 /nfs/dbraw/zinc/49/13/11/398491311.db2.gz CBDQPBUVBQVLGN-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO CCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592829641 398492270 /nfs/dbraw/zinc/49/22/70/398492270.db2.gz TYUNGIFPGCPLIH-CZUORRHYSA-N 1 0 319.405 2.641 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000090800203 398492630 /nfs/dbraw/zinc/49/26/30/398492630.db2.gz IVRJTPSDFBOYPU-LMWSTFAQSA-N 1 0 308.378 2.948 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+](CCO)C2CCCCC2)cc1 ZINC000303452101 398498605 /nfs/dbraw/zinc/49/86/05/398498605.db2.gz IWZPPKOKXPGDOC-UHFFFAOYSA-N 1 0 322.405 2.991 20 5 DFBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000030269461 398499676 /nfs/dbraw/zinc/49/96/76/398499676.db2.gz JHDWCHXIRUWGMJ-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596788666 398501856 /nfs/dbraw/zinc/50/18/56/398501856.db2.gz TYPCJTZBMBAHSJ-NSHDSACASA-N 1 0 308.382 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+](CCO)C3CCCCC3)nc2c1 ZINC000304815865 398504162 /nfs/dbraw/zinc/50/41/62/398504162.db2.gz VHXOBXMDGYAADP-UHFFFAOYSA-N 1 0 319.361 2.863 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000305767823 398506547 /nfs/dbraw/zinc/50/65/47/398506547.db2.gz FYFRNIASADGMBW-ZDUSSCGKSA-N 1 0 300.358 2.980 20 5 DFBDRO O=C(CC[C@H]1CCC[NH2+]1)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000592966087 398512317 /nfs/dbraw/zinc/51/23/17/398512317.db2.gz YSZWQSXGAPCJDS-CQSZACIVSA-N 1 0 317.389 2.618 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000308663323 398512513 /nfs/dbraw/zinc/51/25/13/398512513.db2.gz BADRBBMRTUHFCL-UHFFFAOYSA-N 1 0 315.377 2.824 20 5 DFBDRO CC[NH+](CC)CCCCNc1nc2sccn2c1[N+](=O)[O-] ZINC000065944893 282467139 /nfs/dbraw/zinc/46/71/39/282467139.db2.gz RMZOGOQUAKXDPK-UHFFFAOYSA-N 1 0 311.411 2.838 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CCCSC1)OCCO2 ZINC000588928727 398517744 /nfs/dbraw/zinc/51/77/44/398517744.db2.gz MUOWOMNGSBHWLA-NSHDSACASA-N 1 0 324.402 2.599 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596865311 398517921 /nfs/dbraw/zinc/51/79/21/398517921.db2.gz DSYRCZSEFVRXQK-LBPRGKRZSA-N 1 0 308.382 2.673 20 5 DFBDRO COCC(C)(C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000588933654 398518913 /nfs/dbraw/zinc/51/89/13/398518913.db2.gz SIWWGEMMLAVTEI-UHFFFAOYSA-N 1 0 305.378 2.881 20 5 DFBDRO C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000314616543 398520163 /nfs/dbraw/zinc/52/01/63/398520163.db2.gz JKSTXTHFDHNAPZ-OLZOCXBDSA-N 1 0 305.378 2.552 20 5 DFBDRO COC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000588959989 398520257 /nfs/dbraw/zinc/52/02/57/398520257.db2.gz UQJLZXJRUNYMKI-INIZCTEOSA-N 1 0 303.362 2.633 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000314638259 398520304 /nfs/dbraw/zinc/52/03/04/398520304.db2.gz UNPRPSDLXYLNGZ-WFASDCNBSA-N 1 0 309.797 2.809 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000277715516 213714275 /nfs/dbraw/zinc/71/42/75/213714275.db2.gz SORBPRCLKGBINX-LLVKDONJSA-N 1 0 324.356 2.682 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](c2ccccn2)C2CCCC2)c1 ZINC000091399988 398527610 /nfs/dbraw/zinc/52/76/10/398527610.db2.gz LJXVDPCREURKBY-MRXNPFEDSA-N 1 0 315.377 2.707 20 5 DFBDRO C[C@H](CSc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593045384 398529145 /nfs/dbraw/zinc/52/91/45/398529145.db2.gz IPVLIHXJKTUZGX-CYBMUJFWSA-N 1 0 320.418 2.904 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000091457504 398530750 /nfs/dbraw/zinc/53/07/50/398530750.db2.gz WQIWWDSPRDJDII-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000091729167 398542304 /nfs/dbraw/zinc/54/23/04/398542304.db2.gz SYHXGHKOROPNEN-UHFFFAOYSA-N 1 0 321.421 2.934 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465683 398542854 /nfs/dbraw/zinc/54/28/54/398542854.db2.gz MCRAMIIPMNXHLK-BBRMVZONSA-N 1 0 307.369 2.698 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959448 398544567 /nfs/dbraw/zinc/54/45/67/398544567.db2.gz CRGUDCAGNMZMNU-OLZOCXBDSA-N 1 0 305.378 2.951 20 5 DFBDRO COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000320287304 398546685 /nfs/dbraw/zinc/54/66/85/398546685.db2.gz PTOPWBNKDCMMEU-ZDUSSCGKSA-N 1 0 322.361 2.521 20 5 DFBDRO C[NH+](C)C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCCC1 ZINC000320689301 398548409 /nfs/dbraw/zinc/54/84/09/398548409.db2.gz MJBMIMWNZGVXCB-UHFFFAOYSA-N 1 0 321.406 2.886 20 5 DFBDRO CN(CC[NH+]1CCCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000593112080 398548453 /nfs/dbraw/zinc/54/84/53/398548453.db2.gz JZQPTRWCPREBMM-UHFFFAOYSA-N 1 0 318.377 2.654 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321602951 398553600 /nfs/dbraw/zinc/55/36/00/398553600.db2.gz KSHSQVDJJKMRKE-GJZGRUSLSA-N 1 0 318.377 2.733 20 5 DFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000272571721 209990012 /nfs/dbraw/zinc/99/00/12/209990012.db2.gz TZVPKNHJTYUQJN-GFCCVEGCSA-N 1 0 308.378 2.847 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000321971820 398555533 /nfs/dbraw/zinc/55/55/33/398555533.db2.gz HSOAUKJIKNKWIQ-GJZGRUSLSA-N 1 0 313.361 2.577 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322087888 398556356 /nfs/dbraw/zinc/55/63/56/398556356.db2.gz JCNUWOFPKJNHFR-ZIAGYGMSSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000069249388 398559686 /nfs/dbraw/zinc/55/96/86/398559686.db2.gz KYVKMYDLLQXTNX-AWEZNQCLSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286998771 219262156 /nfs/dbraw/zinc/26/21/56/219262156.db2.gz QVRJVTSJCAVJRT-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)C[N@H+](C)CCCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593204165 398571672 /nfs/dbraw/zinc/57/16/72/398571672.db2.gz WFZCMNWKPMFCSV-AWEZNQCLSA-N 1 0 321.421 2.792 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000279887530 215207861 /nfs/dbraw/zinc/20/78/61/215207861.db2.gz KONAPTHFPZZISF-MBNYWOFBSA-N 1 0 306.362 2.662 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593232463 398576979 /nfs/dbraw/zinc/57/69/79/398576979.db2.gz OLPLLUXJIPRAIO-RYUDHWBXSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH3+] ZINC000593229211 398576217 /nfs/dbraw/zinc/57/62/17/398576217.db2.gz HVLSDUBYZXMVJL-RISCZKNCSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cs1 ZINC000589938381 398584167 /nfs/dbraw/zinc/58/41/67/398584167.db2.gz OFYXCMCPZFVPJQ-PSASIEDQSA-N 1 0 310.297 2.592 20 5 DFBDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936485 215251304 /nfs/dbraw/zinc/25/13/04/215251304.db2.gz XBJUGICNOSJGKP-DZGCQCFKSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123596 398583584 /nfs/dbraw/zinc/58/35/84/398583584.db2.gz JTNLVAGQIDHNIT-LBPRGKRZSA-N 1 0 317.389 2.821 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)c(F)c1 ZINC000589938944 398584467 /nfs/dbraw/zinc/58/44/67/398584467.db2.gz GJJUMQVKXBEYHX-CABZTGNLSA-N 1 0 322.258 2.669 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)C1CC1 ZINC000092650574 398589585 /nfs/dbraw/zinc/58/95/85/398589585.db2.gz XROQUIWYWCKKGH-GFCCVEGCSA-N 1 0 315.320 2.948 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000597204606 398590171 /nfs/dbraw/zinc/59/01/71/398590171.db2.gz JRAREBNVLJUMRQ-ZVVFDCPKSA-N 1 0 302.374 2.845 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459672934 299162124 /nfs/dbraw/zinc/16/21/24/299162124.db2.gz HKLCWPVGPVLMGF-NSHDSACASA-N 1 0 317.393 2.731 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000092672385 398592839 /nfs/dbraw/zinc/59/28/39/398592839.db2.gz XXMWWGZUXFGFSI-NXEZZACHSA-N 1 0 309.341 2.780 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000590083195 398594848 /nfs/dbraw/zinc/59/48/48/398594848.db2.gz DXXOMLZKJFYPGV-SMDDNHRTSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@@H](O)C1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC000597233892 398599654 /nfs/dbraw/zinc/59/96/54/398599654.db2.gz CBHYVSOVXZGMCK-LLVKDONJSA-N 1 0 302.330 2.858 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000590146699 398600449 /nfs/dbraw/zinc/60/04/49/398600449.db2.gz CZPFKBNGOKMDOV-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000597236489 398600584 /nfs/dbraw/zinc/60/05/84/398600584.db2.gz QRIXUWRSAXKWHT-RNULJOAKSA-N 1 0 304.390 2.948 20 5 DFBDRO CC(C)[NH+](CCCNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)C ZINC000080606287 192171995 /nfs/dbraw/zinc/17/19/95/192171995.db2.gz UPDAEMOBLXNYRI-UHFFFAOYSA-N 1 0 322.409 2.615 20 5 DFBDRO [NH3+]C1(c2noc(C(F)(F)c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000414610845 295808038 /nfs/dbraw/zinc/80/80/38/295808038.db2.gz BMBRMFOUVLIYAL-UHFFFAOYSA-N 1 0 324.287 2.846 20 5 DFBDRO C[C@@H]([NH2+]CCNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000171130811 197886026 /nfs/dbraw/zinc/88/60/26/197886026.db2.gz SMYIJOUXFFGJQH-LLVKDONJSA-N 1 0 309.366 2.770 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCCn2ccnc2)cc1[N+](=O)[O-] ZINC000152526174 186082244 /nfs/dbraw/zinc/08/22/44/186082244.db2.gz ZONZVWYNBVOFGX-ZDUSSCGKSA-N 1 0 318.377 2.931 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000072698062 398630675 /nfs/dbraw/zinc/63/06/75/398630675.db2.gz MKPNKHQLDIXPLN-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO O=C(CC[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152624209 186091476 /nfs/dbraw/zinc/09/14/76/186091476.db2.gz WWYRGWBIEJMIJW-CHWSQXEVSA-N 1 0 303.362 2.655 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(/C=C(\C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000414639876 295810102 /nfs/dbraw/zinc/81/01/02/295810102.db2.gz FWPXQMKRJUJXQL-UQSGXBNBSA-N 1 0 302.334 2.689 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593454422 398633866 /nfs/dbraw/zinc/63/38/66/398633866.db2.gz HRGXCYFGOOZYIU-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC[C@H](NC(=O)CCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000155802200 186113740 /nfs/dbraw/zinc/11/37/40/186113740.db2.gz PSOFMFYHTWFLHQ-INIZCTEOSA-N 1 0 319.405 2.942 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593461476 398635328 /nfs/dbraw/zinc/63/53/28/398635328.db2.gz PJQBZEDPIACYEP-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000593461559 398635483 /nfs/dbraw/zinc/63/54/83/398635483.db2.gz RADYBVKFRRCEQX-MRXNPFEDSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[NH+](C2CCC2)CC1 ZINC000593462218 398635799 /nfs/dbraw/zinc/63/57/99/398635799.db2.gz AXJXEUSHGCUYOP-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1nn(C)c(C)c1C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000590593906 398636346 /nfs/dbraw/zinc/63/63/46/398636346.db2.gz KJRGJLGGCLLILJ-LBPRGKRZSA-N 1 0 316.405 2.708 20 5 DFBDRO C[NH+](C)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000044364599 398641653 /nfs/dbraw/zinc/64/16/53/398641653.db2.gz QPCJKYKWYUFSDR-ZDUSSCGKSA-N 1 0 319.386 2.689 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000414664639 295813357 /nfs/dbraw/zinc/81/33/57/295813357.db2.gz UBDUEHYUIBNJEK-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072869692 398644076 /nfs/dbraw/zinc/64/40/76/398644076.db2.gz YEWMBXWKKSJQAK-UTUOFQBUSA-N 1 0 321.377 2.518 20 5 DFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000590655503 398646752 /nfs/dbraw/zinc/64/67/52/398646752.db2.gz ACZAXXGBAZWERM-BZNIZROVSA-N 1 0 324.377 2.517 20 5 DFBDRO C[C@H]1[NH2+]CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@H]1C ZINC000262867561 186316195 /nfs/dbraw/zinc/31/61/95/186316195.db2.gz URSZIHSVXVFOQJ-ZJUUUORDSA-N 1 0 319.386 2.632 20 5 DFBDRO Cc1c(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000414693584 295816761 /nfs/dbraw/zinc/81/67/61/295816761.db2.gz DXWRESVWXPZRQY-AWEZNQCLSA-N 1 0 320.393 2.932 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839880 186372308 /nfs/dbraw/zinc/37/23/08/186372308.db2.gz ANNRMZKNXGBBJN-GWCFXTLKSA-N 1 0 303.362 2.835 20 5 DFBDRO CC[N@H+](CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000094135924 398654224 /nfs/dbraw/zinc/65/42/24/398654224.db2.gz RAXFKQRKQXQYHI-UHFFFAOYSA-N 1 0 321.421 2.980 20 5 DFBDRO CSc1cccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC000597532370 398657061 /nfs/dbraw/zinc/65/70/61/398657061.db2.gz JFLBPDZQSSANQQ-VXGBXAGGSA-N 1 0 323.418 2.529 20 5 DFBDRO C[NH2+]C[C@@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414848095 295825790 /nfs/dbraw/zinc/82/57/90/295825790.db2.gz WRSLVJZEKQTMHN-GFCCVEGCSA-N 1 0 303.362 2.800 20 5 DFBDRO Cc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000045083862 398662447 /nfs/dbraw/zinc/66/24/47/398662447.db2.gz PCAVYUYARVOVPZ-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3CC[NH2+]C3)o2)c1 ZINC000414901942 295832457 /nfs/dbraw/zinc/83/24/57/295832457.db2.gz GRCALQBBAREHNG-GFCCVEGCSA-N 1 0 301.346 2.554 20 5 DFBDRO C[C@H](CC[NH3+])NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414899141 295831922 /nfs/dbraw/zinc/83/19/22/295831922.db2.gz UFSVMDKMGBKOSK-SNVBAGLBSA-N 1 0 306.391 2.545 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCSC[C@@H]1C ZINC000172594418 198119818 /nfs/dbraw/zinc/11/98/18/198119818.db2.gz WAMKNHIRSINPIO-LBPRGKRZSA-N 1 0 323.418 2.669 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C2CC2)C2CCOCC2)cc1[N+](=O)[O-] ZINC000593667988 398667971 /nfs/dbraw/zinc/66/79/71/398667971.db2.gz ADJFVTFTKDOGQM-QGZVFWFLSA-N 1 0 320.389 2.898 20 5 DFBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000590764441 398668826 /nfs/dbraw/zinc/66/88/26/398668826.db2.gz MDJJCDRZPSTVCB-DGCLKSJQSA-N 1 0 305.334 2.783 20 5 DFBDRO CCC[C@H]([NH2+]CC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287226790 219392484 /nfs/dbraw/zinc/39/24/84/219392484.db2.gz GKJLJVCNCFORAR-HNNXBMFYSA-N 1 0 310.394 2.813 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000593688501 398671157 /nfs/dbraw/zinc/67/11/57/398671157.db2.gz UREXYPRUSQCZSU-SHRNQRGKSA-N 1 0 320.389 2.519 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590776836 398671993 /nfs/dbraw/zinc/67/19/93/398671993.db2.gz JXNCOXWZUBSMHP-GUYCJALGSA-N 1 0 300.358 2.849 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000459773792 299188222 /nfs/dbraw/zinc/18/82/22/299188222.db2.gz TUUAHFOOVTWGEG-CABCVRRESA-N 1 0 306.362 2.651 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)n2)c1 ZINC000459774832 299189043 /nfs/dbraw/zinc/18/90/43/299189043.db2.gz JLRASXSTHPCCOX-DDTOSNHZSA-N 1 0 314.345 2.923 20 5 DFBDRO CC(C)c1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1[N+](=O)[O-] ZINC000414986454 295844107 /nfs/dbraw/zinc/84/41/07/295844107.db2.gz HIIJQRXYTHJEKY-LBPRGKRZSA-N 1 0 301.337 2.790 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CCF ZINC000593719013 398677373 /nfs/dbraw/zinc/67/73/73/398677373.db2.gz TXFXSZZBHAOHNZ-NEPJUHHUSA-N 1 0 316.398 2.776 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593724787 398678066 /nfs/dbraw/zinc/67/80/66/398678066.db2.gz ZQAVASRAIJCMMK-XJKSGUPXSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459787911 299193523 /nfs/dbraw/zinc/19/35/23/299193523.db2.gz QOPPVDHGDLGRSH-FIXIBIHLSA-N 1 0 303.362 2.700 20 5 DFBDRO O=[N+]([O-])c1cc(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cs1 ZINC000415039624 295849839 /nfs/dbraw/zinc/84/98/39/295849839.db2.gz JIMJRRWHMIOUHL-UONOGXRCSA-N 1 0 303.387 2.502 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000173162529 198191333 /nfs/dbraw/zinc/19/13/33/198191333.db2.gz HIXFLGJVHWENCI-AWEZNQCLSA-N 1 0 319.405 2.755 20 5 DFBDRO C[C@H]([N@H+](C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000045769598 398683961 /nfs/dbraw/zinc/68/39/61/398683961.db2.gz BUPHWLUDWMYZTL-LBPRGKRZSA-N 1 0 307.394 2.924 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1 ZINC000173362113 198206567 /nfs/dbraw/zinc/20/65/67/198206567.db2.gz CSZUIEGEHCBQKO-NWDGAFQWSA-N 1 0 305.378 2.693 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000045774767 398684254 /nfs/dbraw/zinc/68/42/54/398684254.db2.gz YIRLSZOEVJSHOL-INIZCTEOSA-N 1 0 319.405 2.835 20 5 DFBDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173406404 198211112 /nfs/dbraw/zinc/21/11/12/198211112.db2.gz RXQSDUFIYXGCCS-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173714240 198242998 /nfs/dbraw/zinc/24/29/98/198242998.db2.gz SJNZQPCILNKGKH-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO COCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccco1 ZINC000046061931 398693653 /nfs/dbraw/zinc/69/36/53/398693653.db2.gz MBVUVPVXFQNNBK-UHFFFAOYSA-N 1 0 320.345 2.715 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000174116663 198294015 /nfs/dbraw/zinc/29/40/15/198294015.db2.gz ATAMFLXQXFBWMB-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO C[C@H](C(=O)N(C)CC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000593882312 398699656 /nfs/dbraw/zinc/69/96/56/398699656.db2.gz HMNZIAPOQPQEFB-AWEZNQCLSA-N 1 0 319.405 2.643 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000174190971 198303224 /nfs/dbraw/zinc/30/32/24/198303224.db2.gz CVRNWMUERHEZDE-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000046273554 398702836 /nfs/dbraw/zinc/70/28/36/398702836.db2.gz ZGXMQRQYGPXTOR-LLVKDONJSA-N 1 0 307.394 2.572 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915728 398703055 /nfs/dbraw/zinc/70/30/55/398703055.db2.gz KLLDBXUTIAZDBS-IUODEOHRSA-N 1 0 319.405 2.747 20 5 DFBDRO C[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593914175 398703090 /nfs/dbraw/zinc/70/30/90/398703090.db2.gz AHVLWMWSFPZFDT-BBRMVZONSA-N 1 0 319.405 2.503 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597853402 398704798 /nfs/dbraw/zinc/70/47/98/398704798.db2.gz AAAMBAJDFMGAFO-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccccc1OCCC[N@@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000174830544 198390218 /nfs/dbraw/zinc/39/02/18/198390218.db2.gz GMFWNACHMINGKO-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000590970361 398711119 /nfs/dbraw/zinc/71/11/19/398711119.db2.gz ZYYABWORPFFWCP-GOEBONIOSA-N 1 0 302.374 2.904 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000046857922 398720796 /nfs/dbraw/zinc/72/07/96/398720796.db2.gz HOUCWRVUXLKESB-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1[N+](=O)[O-] ZINC000277026762 213247883 /nfs/dbraw/zinc/24/78/83/213247883.db2.gz NPQKEBCTDMMPDE-GXTWGEPZSA-N 1 0 305.378 2.524 20 5 DFBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415416305 295882345 /nfs/dbraw/zinc/88/23/45/295882345.db2.gz KEBCLHHPDDQFRE-VXGBXAGGSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415485416 295886923 /nfs/dbraw/zinc/88/69/23/295886923.db2.gz QEGSESMKWMBPOJ-GXTWGEPZSA-N 1 0 320.393 2.945 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415582962 295891908 /nfs/dbraw/zinc/89/19/08/295891908.db2.gz QDSZXSNYIRMQMG-STQMWFEESA-N 1 0 320.393 2.803 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000415583696 295891912 /nfs/dbraw/zinc/89/19/12/295891912.db2.gz RGNUPOHFSMNTFG-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000415583697 295892023 /nfs/dbraw/zinc/89/20/23/295892023.db2.gz RGNUPOHFSMNTFG-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000415572964 295891416 /nfs/dbraw/zinc/89/14/16/295891416.db2.gz BTQRNQIEJRIEKW-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627824 295894987 /nfs/dbraw/zinc/89/49/87/295894987.db2.gz CXIQTOUHJGNODN-AWEZNQCLSA-N 1 0 312.345 2.619 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000594066305 398736300 /nfs/dbraw/zinc/73/63/00/398736300.db2.gz VJNNQZQJVUUCHI-GFCCVEGCSA-N 1 0 308.378 2.727 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000074334069 398741257 /nfs/dbraw/zinc/74/12/57/398741257.db2.gz KUOHUYUBNGFSNS-GFCCVEGCSA-N 1 0 313.357 2.805 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594094188 398742609 /nfs/dbraw/zinc/74/26/09/398742609.db2.gz IGFUXJKYNJUGIK-CABCVRRESA-N 1 0 318.377 2.733 20 5 DFBDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@H]1[NH3+] ZINC000591301721 398746724 /nfs/dbraw/zinc/74/67/24/398746724.db2.gz UEFFMRPUGDMIFQ-CHWSQXEVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000591296414 398746227 /nfs/dbraw/zinc/74/62/27/398746227.db2.gz JEIRWWCTXRUNFB-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c(OC(F)F)c1 ZINC000591429995 398759468 /nfs/dbraw/zinc/75/94/68/398759468.db2.gz MNMQFFHDKNTREP-VIFPVBQESA-N 1 0 301.293 2.750 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(CC[NH2+]C2)CC1 ZINC000591440601 398760769 /nfs/dbraw/zinc/76/07/69/398760769.db2.gz BUXJFLWRGQXCSL-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591440649 398760932 /nfs/dbraw/zinc/76/09/32/398760932.db2.gz DLCXXNOKBXHQNV-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1cc(N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000591446268 398761978 /nfs/dbraw/zinc/76/19/78/398761978.db2.gz YELZOGJCOJIAHT-WBVHZDCISA-N 1 0 319.405 2.626 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000081330791 192250809 /nfs/dbraw/zinc/25/08/09/192250809.db2.gz WQLZSWJLWYKPCT-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000081290664 192245571 /nfs/dbraw/zinc/24/55/71/192245571.db2.gz VRFRNHKKUZNWBS-HNNXBMFYSA-N 1 0 317.389 2.589 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081517065 192279595 /nfs/dbraw/zinc/27/95/95/192279595.db2.gz XOVWNQSLEPYQBW-OAHLLOKOSA-N 1 0 321.421 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000591651629 398778513 /nfs/dbraw/zinc/77/85/13/398778513.db2.gz CKSKWDYIUUBCMO-CYBMUJFWSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000591763543 398785520 /nfs/dbraw/zinc/78/55/20/398785520.db2.gz AEIFTUVPUUYPNK-CQSZACIVSA-N 1 0 320.389 2.647 20 5 DFBDRO CCOc1cc(CN2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000276940887 213190862 /nfs/dbraw/zinc/19/08/62/213190862.db2.gz SGPJRULZMZFNKU-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000122523629 398792147 /nfs/dbraw/zinc/79/21/47/398792147.db2.gz IDSVKJCCRVIZAL-VIFPVBQESA-N 1 0 315.167 2.736 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000122525838 398792348 /nfs/dbraw/zinc/79/23/48/398792348.db2.gz FZBQJEIYDINYEB-SECBINFHSA-N 1 0 315.167 2.736 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@H]2[C@@H]1c1ccccc1 ZINC000377837919 283213974 /nfs/dbraw/zinc/21/39/74/283213974.db2.gz SPIZBMHDKQSHRQ-INMHGKMJSA-N 1 0 324.384 2.729 20 5 DFBDRO CCOc1cc(CN(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926526 213181344 /nfs/dbraw/zinc/18/13/44/213181344.db2.gz QAKNIFLWPGXDBE-HNNXBMFYSA-N 1 0 321.421 2.767 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)C[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000591849397 398794665 /nfs/dbraw/zinc/79/46/65/398794665.db2.gz NMVNDOBFUOXTMO-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000598342484 398796473 /nfs/dbraw/zinc/79/64/73/398796473.db2.gz NVDJHGUXLVBGNX-AWEZNQCLSA-N 1 0 319.405 2.734 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc(SC)ccc2[N+](=O)[O-])C1 ZINC000598342593 398796044 /nfs/dbraw/zinc/79/60/44/398796044.db2.gz LNXJXWKAKCUPAF-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276914489 213171976 /nfs/dbraw/zinc/17/19/76/213171976.db2.gz NZFUBGHVZOXZRS-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000276898911 213162003 /nfs/dbraw/zinc/16/20/03/213162003.db2.gz LGXJEPBHMFVYMO-AWEZNQCLSA-N 1 0 310.394 2.832 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)COCC(C)C ZINC000151435485 283284215 /nfs/dbraw/zinc/28/42/15/283284215.db2.gz VTYXAVZWHDYYJE-DZGCQCFKSA-N 1 0 310.394 2.587 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000594502779 398811444 /nfs/dbraw/zinc/81/14/44/398811444.db2.gz RPAQMIGLKSUNHW-CJNGLKHVSA-N 1 0 324.384 2.846 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000276739176 213078865 /nfs/dbraw/zinc/07/88/65/213078865.db2.gz ADXRVNXWUCRCTC-RYUDHWBXSA-N 1 0 304.346 2.731 20 5 DFBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000594516605 398814632 /nfs/dbraw/zinc/81/46/32/398814632.db2.gz XVIDWGKJFDMLQX-UHFFFAOYSA-N 1 0 316.304 2.712 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000594549453 398819460 /nfs/dbraw/zinc/81/94/60/398819460.db2.gz XGNBWBFXHBLIIP-ZDUSSCGKSA-N 1 0 322.409 2.744 20 5 DFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCO1 ZINC000051554749 398824378 /nfs/dbraw/zinc/82/43/78/398824378.db2.gz PPUAHHTYJMWKHO-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000051650558 398824934 /nfs/dbraw/zinc/82/49/34/398824934.db2.gz ILKVAXWUPBAXPU-MRXNPFEDSA-N 1 0 307.394 2.672 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000594595194 398826925 /nfs/dbraw/zinc/82/69/25/398826925.db2.gz VUMOJZOLOGJIIS-UHFFFAOYSA-N 1 0 323.422 2.615 20 5 DFBDRO C[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000594615903 398834937 /nfs/dbraw/zinc/83/49/37/398834937.db2.gz XIDKQQYJRJUHMW-UWVGGRQHSA-N 1 0 306.391 2.845 20 5 DFBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)CCCC1 ZINC000594691940 398843015 /nfs/dbraw/zinc/84/30/15/398843015.db2.gz BHMKNBDBDOMIEF-UHFFFAOYSA-N 1 0 301.293 2.880 20 5 DFBDRO Cc1cnc(N2CCC[C@H](C3CC[NH2+]CC3)C2)c([N+](=O)[O-])c1 ZINC000594693733 398843740 /nfs/dbraw/zinc/84/37/40/398843740.db2.gz SKGRSLRUFZHPRB-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO C[NH2+]C1(CNc2c(Br)cccc2[N+](=O)[O-])CCC1 ZINC000598636640 398844489 /nfs/dbraw/zinc/84/44/89/398844489.db2.gz ZMJBXFNXKDBPAB-UHFFFAOYSA-N 1 0 314.183 2.911 20 5 DFBDRO [NH3+]CC12CC(C1)CN2c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000594698547 398844621 /nfs/dbraw/zinc/84/46/21/398844621.db2.gz LJOAQTSREKAXQG-UHFFFAOYSA-N 1 0 316.386 2.646 20 5 DFBDRO CCOc1cncc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000598635577 398844961 /nfs/dbraw/zinc/84/49/61/398844961.db2.gz WIAKWSBGLKPWOL-UHFFFAOYSA-N 1 0 317.345 2.557 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1[N+](=O)[O-] ZINC000598668495 398851240 /nfs/dbraw/zinc/85/12/40/398851240.db2.gz VLJHYOJGMHFMLR-CXAGYDPISA-N 1 0 317.389 2.672 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180426396 199157802 /nfs/dbraw/zinc/15/78/02/199157802.db2.gz NPJMKCJAWBOELQ-LLVKDONJSA-N 1 0 319.386 2.623 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC(C)C ZINC000053361037 398869694 /nfs/dbraw/zinc/86/96/94/398869694.db2.gz JYTVVLNMVASOKS-GFCCVEGCSA-N 1 0 323.393 2.908 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594929613 398874074 /nfs/dbraw/zinc/87/40/74/398874074.db2.gz LDWWYVCWSRUQLK-APHBMKBZSA-N 1 0 320.389 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000594929927 398874248 /nfs/dbraw/zinc/87/42/48/398874248.db2.gz PWWYIGSNUWEYMN-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO COCCCOCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000180725532 199201650 /nfs/dbraw/zinc/20/16/50/199201650.db2.gz NGCQVMJFRBYULM-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO CC(C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)c(F)c1 ZINC000180857722 199218989 /nfs/dbraw/zinc/21/89/89/199218989.db2.gz WJFXKDPMLVZIIF-UHFFFAOYSA-N 1 0 310.304 2.594 20 5 DFBDRO C[NH+](C)C1(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000139415656 398883059 /nfs/dbraw/zinc/88/30/59/398883059.db2.gz MXIHUXCAPDBOJA-JXMROGBWSA-N 1 0 317.389 2.599 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000594964656 398883241 /nfs/dbraw/zinc/88/32/41/398883241.db2.gz LTBAJFHAEVRPRT-BZUAXINKSA-N 1 0 322.405 2.559 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cncc(C)n1 ZINC000594993717 398888042 /nfs/dbraw/zinc/88/80/42/398888042.db2.gz FZRZHGZRJQDRKR-JYRVWZFOSA-N 1 0 312.373 2.929 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCC(F)(F)F ZINC000595005090 398890029 /nfs/dbraw/zinc/89/00/29/398890029.db2.gz CNHUTTLPBLHHRV-VIFPVBQESA-N 1 0 322.283 2.833 20 5 DFBDRO COc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1[N+](=O)[O-] ZINC000595013808 398891483 /nfs/dbraw/zinc/89/14/83/398891483.db2.gz KLSCZDHBMZGNSN-UHFFFAOYSA-N 1 0 300.305 2.781 20 5 DFBDRO COc1ccc(C[NH2+][C@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595009635 398890921 /nfs/dbraw/zinc/89/09/21/398890921.db2.gz ZDNAZSZLBUGICB-SJCJKPOMSA-N 1 0 316.357 2.815 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cn1cccn1 ZINC000595015861 398892330 /nfs/dbraw/zinc/89/23/30/398892330.db2.gz UFAONKFCMWBJKC-NEPJUHHUSA-N 1 0 304.350 2.539 20 5 DFBDRO CCOc1cc(N(C)C[C@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000174917825 283395366 /nfs/dbraw/zinc/39/53/66/283395366.db2.gz FENAYYMHKSXXFC-CQSZACIVSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595062847 398900474 /nfs/dbraw/zinc/90/04/74/398900474.db2.gz WQIWDAXCJJCFON-CWRNSKLLSA-N 1 0 308.378 2.687 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595065871 398901033 /nfs/dbraw/zinc/90/10/33/398901033.db2.gz WFOLLBNOVBRMSV-UOJCXKCYSA-N 1 0 322.405 2.812 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595066386 398901216 /nfs/dbraw/zinc/90/12/16/398901216.db2.gz WSCUMFQIBPWSSC-BIFQWPCQSA-N 1 0 310.419 2.935 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@@H]1CC1(F)F ZINC000595066985 398901425 /nfs/dbraw/zinc/90/14/25/398901425.db2.gz CSWJZCLRJSSEMY-SMDDNHRTSA-N 1 0 314.332 2.930 20 5 DFBDRO COC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000595071066 398901753 /nfs/dbraw/zinc/90/17/53/398901753.db2.gz NVVBXXZLBZYQNE-JKSUJKDBSA-N 1 0 320.389 2.613 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCO[C@H]1CC1(F)F)CCC2 ZINC000595070839 398902070 /nfs/dbraw/zinc/90/20/70/398902070.db2.gz ZTMJXLMAXRIPOL-KBPBESRZSA-N 1 0 312.316 2.986 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000470156196 299292241 /nfs/dbraw/zinc/29/22/41/299292241.db2.gz KVEAYSYEYFJNGM-SHAKEMSNSA-N 1 0 318.373 2.882 20 5 DFBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)COc2ccccc2O1 ZINC000598985062 398903389 /nfs/dbraw/zinc/90/33/89/398903389.db2.gz HYOZJPWXYVHHNO-KRWDZBQOSA-N 1 0 314.341 2.915 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(CO)CC1 ZINC000186928049 200032287 /nfs/dbraw/zinc/03/22/87/200032287.db2.gz RYZAWQQNMSOQSE-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595092268 398903602 /nfs/dbraw/zinc/90/36/02/398903602.db2.gz WPPBHRPYNFIHIR-IUIKQTSFSA-N 1 0 320.389 2.948 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CC1 ZINC000595089903 398903765 /nfs/dbraw/zinc/90/37/65/398903765.db2.gz QKCLQKOLNFNIIQ-DZGCQCFKSA-N 1 0 306.406 2.914 20 5 DFBDRO Cc1cncc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000595089735 398903791 /nfs/dbraw/zinc/90/37/91/398903791.db2.gz KCUXGSVEJATYFP-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1cncc(C)n1 ZINC000595090346 398903977 /nfs/dbraw/zinc/90/39/77/398903977.db2.gz NQCDKWDWIMVJGB-GFCCVEGCSA-N 1 0 316.361 2.595 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1[N+](=O)[O-] ZINC000595092271 398904018 /nfs/dbraw/zinc/90/40/18/398904018.db2.gz WPPBHRPYNFIHIR-XZJROXQQSA-N 1 0 320.389 2.948 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000598989043 398904154 /nfs/dbraw/zinc/90/41/54/398904154.db2.gz YRIACZKHBHQDLN-AWEZNQCLSA-N 1 0 313.348 2.722 20 5 DFBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096834 398904555 /nfs/dbraw/zinc/90/45/55/398904555.db2.gz MUWCASYUZAMJNT-GOEBONIOSA-N 1 0 305.422 2.990 20 5 DFBDRO CN1C(=O)c2ccccc2[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599001205 398906253 /nfs/dbraw/zinc/90/62/53/398906253.db2.gz ZYDLIEYKVRRPFG-ZDUSSCGKSA-N 1 0 317.370 2.573 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)o2)cc1 ZINC000599007337 398906895 /nfs/dbraw/zinc/90/68/95/398906895.db2.gz OMYNDMUWXJLVCB-VDISTLRHSA-N 1 0 302.330 2.715 20 5 DFBDRO COc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000077506265 398907265 /nfs/dbraw/zinc/90/72/65/398907265.db2.gz KWQUERSVHUJKHH-UHFFFAOYSA-N 1 0 302.330 2.772 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000599042529 398911734 /nfs/dbraw/zinc/91/17/34/398911734.db2.gz TXPIZBWOBGQFRZ-CQSZACIVSA-N 1 0 324.743 2.861 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])cccc1[N+](=O)[O-] ZINC000595258154 398913432 /nfs/dbraw/zinc/91/34/32/398913432.db2.gz LVJYSNRLZOYCRE-IUODEOHRSA-N 1 0 319.405 2.883 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834831 283469311 /nfs/dbraw/zinc/46/93/11/283469311.db2.gz QCUWUBYRYDWCNA-VIFPVBQESA-N 1 0 314.183 2.532 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599068044 398916354 /nfs/dbraw/zinc/91/63/54/398916354.db2.gz BBIGFGVFUAFDGY-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]CC1CC=CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599063791 398915824 /nfs/dbraw/zinc/91/58/24/398915824.db2.gz HTVKCVQJUWJSIN-INIZCTEOSA-N 1 0 312.373 2.974 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000595297822 398919136 /nfs/dbraw/zinc/91/91/36/398919136.db2.gz PFMWCKBHOBESSY-HNNXBMFYSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)c2ccncc21 ZINC000599091623 398919618 /nfs/dbraw/zinc/91/96/18/398919618.db2.gz CWYKQVMNBKSPTB-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000281116496 216089492 /nfs/dbraw/zinc/08/94/92/216089492.db2.gz XDJHAAPCXGQHQK-INIZCTEOSA-N 1 0 313.357 2.781 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331249 398922832 /nfs/dbraw/zinc/92/28/32/398922832.db2.gz SXFCNHGGSLRDPC-ZDUSSCGKSA-N 1 0 309.385 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376283 398929280 /nfs/dbraw/zinc/92/92/80/398929280.db2.gz HFCYHWZSIJPROY-SWLSCSKDSA-N 1 0 309.385 2.896 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000055400900 398928786 /nfs/dbraw/zinc/92/87/86/398928786.db2.gz SHGFGWNYAPBEDQ-STQMWFEESA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@@H]3CCCO3)CC2)c1 ZINC000189202000 200362985 /nfs/dbraw/zinc/36/29/85/200362985.db2.gz PXLWWXOUBBWEIR-IRXDYDNUSA-N 1 0 320.389 2.519 20 5 DFBDRO Cc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000599160996 398932076 /nfs/dbraw/zinc/93/20/76/398932076.db2.gz SJWWYICGSQCKHB-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000189310869 200380180 /nfs/dbraw/zinc/38/01/80/200380180.db2.gz JVRAQMAUAZZKRY-BZPMIXESSA-N 1 0 308.378 2.805 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000189310904 200380691 /nfs/dbraw/zinc/38/06/91/200380691.db2.gz JVRAQMAUAZZKRY-DYEKYZERSA-N 1 0 308.378 2.805 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCC1 ZINC000189452192 200403596 /nfs/dbraw/zinc/40/35/96/200403596.db2.gz NVDPRLCOMRRISP-CYBMUJFWSA-N 1 0 307.394 2.885 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1cccc([N+](=O)[O-])c1 ZINC000595414952 398933965 /nfs/dbraw/zinc/93/39/65/398933965.db2.gz OWBJZKFNWDWLEZ-DDUYRFODSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342990 296011904 /nfs/dbraw/zinc/01/19/04/296011904.db2.gz NPDLBISHEFFQDS-VNBSIWGGSA-N 1 0 310.419 2.719 20 5 DFBDRO CO[C@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417344233 296012171 /nfs/dbraw/zinc/01/21/71/296012171.db2.gz PTMMBTYGBARQCO-IRXDYDNUSA-N 1 0 320.389 2.757 20 5 DFBDRO CSCCC[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000281190367 216141547 /nfs/dbraw/zinc/14/15/47/216141547.db2.gz IIEDPAOOKJSGPC-UHFFFAOYSA-N 1 0 312.391 2.646 20 5 DFBDRO CC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179602 398935408 /nfs/dbraw/zinc/93/54/08/398935408.db2.gz OHCOIZNQQFFOTJ-NWDGAFQWSA-N 1 0 300.362 2.720 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000417398642 296016969 /nfs/dbraw/zinc/01/69/69/296016969.db2.gz HPUCZGSFCKZJDI-NZUILWFCSA-N 1 0 304.390 2.809 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000417398643 296016998 /nfs/dbraw/zinc/01/69/98/296016998.db2.gz HPUCZGSFCKZJDI-UTXMOHQDSA-N 1 0 304.390 2.809 20 5 DFBDRO CC1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])C[C@@]2(CCOC2)O1 ZINC000595466838 398944684 /nfs/dbraw/zinc/94/46/84/398944684.db2.gz NPZQEONLTOSORH-MRXNPFEDSA-N 1 0 324.352 2.504 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)n1 ZINC000595480432 398947190 /nfs/dbraw/zinc/94/71/90/398947190.db2.gz KCNCCZIUABIJNB-HZSPNIEDSA-N 1 0 304.394 2.864 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595499070 398950498 /nfs/dbraw/zinc/95/04/98/398950498.db2.gz UQFHMPFTTUJIGZ-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO CC[C@H]([NH2+]CCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000599352295 398959042 /nfs/dbraw/zinc/95/90/42/398959042.db2.gz AMSFONPVGRFPBW-INIZCTEOSA-N 1 0 308.378 2.831 20 5 DFBDRO CCN(Cc1ccc([N+](=O)[O-])c(OC)c1)C[C@@H]1CCC[N@@H+]1CC ZINC000599368312 398964667 /nfs/dbraw/zinc/96/46/67/398964667.db2.gz AQVBEWOHXOSOTL-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292722876 223218894 /nfs/dbraw/zinc/21/88/94/223218894.db2.gz HOXUXEYPQFGDPL-KRWDZBQOSA-N 1 0 319.405 2.663 20 5 DFBDRO CCC(=O)c1ccc(N(C)CC[N@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000281428775 216291935 /nfs/dbraw/zinc/29/19/35/216291935.db2.gz JFXJFCFAKDENJL-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000193667854 201099916 /nfs/dbraw/zinc/09/99/16/201099916.db2.gz GBLMMGZJLIVHRV-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cnc(N2CCCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660914 398977617 /nfs/dbraw/zinc/97/76/17/398977617.db2.gz FXGUIVDKCPUPJE-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO CCCCOCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564750 297308447 /nfs/dbraw/zinc/30/84/47/297308447.db2.gz ZAXRTQOGYOFRSE-KBPBESRZSA-N 1 0 310.398 2.681 20 5 DFBDRO Cc1sc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000056529433 398977944 /nfs/dbraw/zinc/97/79/44/398977944.db2.gz XDNKIAXFCUHNPN-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000193926645 201147124 /nfs/dbraw/zinc/14/71/24/201147124.db2.gz JRXFFOAXSVEVCR-UONOGXRCSA-N 1 0 319.405 2.955 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000194341694 201206799 /nfs/dbraw/zinc/20/67/99/201206799.db2.gz HRNCNFADMFFDJH-UHFFFAOYSA-N 1 0 311.407 2.649 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000078723173 398982747 /nfs/dbraw/zinc/98/27/47/398982747.db2.gz ADVJMYDPOJPHSX-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595591052 398988535 /nfs/dbraw/zinc/98/85/35/398988535.db2.gz CJHSGZCWOJFUKR-MRXNPFEDSA-N 1 0 300.358 2.630 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595608347 398997366 /nfs/dbraw/zinc/99/73/66/398997366.db2.gz OAQRDQHBLURVBL-KGLIPLIRSA-N 1 0 315.377 2.578 20 5 DFBDRO C[NH+](C)CCOc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000195509514 201396571 /nfs/dbraw/zinc/39/65/71/201396571.db2.gz XQNSYNJTZGKHJH-UHFFFAOYSA-N 1 0 322.390 2.604 20 5 DFBDRO CC[C@H](NC(=O)N(C)CC(C)(C)C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417818650 296054297 /nfs/dbraw/zinc/05/42/97/296054297.db2.gz AYIDWBBPIVULRX-AWEZNQCLSA-N 1 0 322.409 2.672 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000417853818 296058236 /nfs/dbraw/zinc/05/82/36/296058236.db2.gz PNKUSJTUFZKJPK-LBPRGKRZSA-N 1 0 322.409 2.781 20 5 DFBDRO CC[C@@H](NC(=O)N[C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417854874 296058246 /nfs/dbraw/zinc/05/82/46/296058246.db2.gz QJUDWEZGHVAUBC-DZGCQCFKSA-N 1 0 322.409 2.719 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000275435940 212330031 /nfs/dbraw/zinc/33/00/31/212330031.db2.gz WAORBAFUXNKNGU-LBPRGKRZSA-N 1 0 304.394 2.707 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595642096 399015852 /nfs/dbraw/zinc/01/58/52/399015852.db2.gz NWOUHWXKULAROU-QWHCGFSZSA-N 1 0 310.394 2.749 20 5 DFBDRO CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000249771120 283811300 /nfs/dbraw/zinc/81/13/00/283811300.db2.gz BPYOPPGKWYDQII-VNQPRFMTSA-N 1 0 304.390 2.665 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000057156372 399020059 /nfs/dbraw/zinc/02/00/59/399020059.db2.gz RQYJCJVUCZMEGI-CYBMUJFWSA-N 1 0 307.394 2.835 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599605551 399028569 /nfs/dbraw/zinc/02/85/69/399028569.db2.gz IZRXKIPYXSMIMD-CQSZACIVSA-N 1 0 318.377 2.563 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000600315349 399032684 /nfs/dbraw/zinc/03/26/84/399032684.db2.gz SKXNVUHOZSHFAO-AWEZNQCLSA-N 1 0 319.405 2.673 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000599626040 399033315 /nfs/dbraw/zinc/03/33/15/399033315.db2.gz SEGIKRFHGWWWFM-PJPCKVBYSA-N 1 0 300.305 2.775 20 5 DFBDRO C[C@H](c1ccccn1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091703385 193094036 /nfs/dbraw/zinc/09/40/36/193094036.db2.gz HAPBXFOSZWZXDQ-WBMJQRKESA-N 1 0 301.346 2.716 20 5 DFBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092067384 193151706 /nfs/dbraw/zinc/15/17/06/193151706.db2.gz VSLACBQGYFGHJL-HNNXBMFYSA-N 1 0 308.378 2.531 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@H]21 ZINC000599648540 399043433 /nfs/dbraw/zinc/04/34/33/399043433.db2.gz AAPIJKLJZDPKTQ-ARFHVFGLSA-N 1 0 318.373 2.758 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc([N+](=O)[O-])c1 ZINC000600470023 399058704 /nfs/dbraw/zinc/05/87/04/399058704.db2.gz DSRNHPVWUFKSOW-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000293042971 223367655 /nfs/dbraw/zinc/36/76/55/223367655.db2.gz KXQIXWLHVMUCIH-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO COC(=O)C1C[C@@H](C)[NH+](Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000599688306 399064176 /nfs/dbraw/zinc/06/41/76/399064176.db2.gz CFRCKRXMOQKFIS-VXGBXAGGSA-N 1 0 306.362 2.757 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595748639 399068454 /nfs/dbraw/zinc/06/84/54/399068454.db2.gz BQHITEVLNISHIR-QGZVFWFLSA-N 1 0 320.389 2.730 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595777937 399081075 /nfs/dbraw/zinc/08/10/75/399081075.db2.gz MIFDZMMSHZGOOP-CVEARBPZSA-N 1 0 320.389 2.775 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC23CCOCC3)cc1 ZINC000618318300 399081280 /nfs/dbraw/zinc/08/12/80/399081280.db2.gz PCDWGSHLIAXMLH-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000079770769 399084346 /nfs/dbraw/zinc/08/43/46/399084346.db2.gz FDKTYWCFODYHTK-OAHLLOKOSA-N 1 0 308.378 2.585 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305151362 284037071 /nfs/dbraw/zinc/03/70/71/284037071.db2.gz ADUCHSKUFVSTQD-KBPBESRZSA-N 1 0 322.405 2.975 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785795 399085551 /nfs/dbraw/zinc/08/55/51/399085551.db2.gz GOWMXIIVEZJJJH-STQMWFEESA-N 1 0 309.366 2.672 20 5 DFBDRO CC[NH+](CC)CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000058835398 399097191 /nfs/dbraw/zinc/09/71/91/399097191.db2.gz GGVNZTSWLXEVOB-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000481172456 299392153 /nfs/dbraw/zinc/39/21/53/299392153.db2.gz GVMLNFXDBPKSBJ-RBSFLKMASA-N 1 0 322.405 2.893 20 5 DFBDRO C[N@H+](CCC(=O)NC1CCCC1)CCc1cccc([N+](=O)[O-])c1 ZINC000338349719 284103797 /nfs/dbraw/zinc/10/37/97/284103797.db2.gz GLUXIVRIXDNKMZ-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO CSc1ccc(C(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000261868128 203138859 /nfs/dbraw/zinc/13/88/59/203138859.db2.gz SBVTZBACZWXMNO-ZYHUDNBSSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419353065 296136283 /nfs/dbraw/zinc/13/62/83/296136283.db2.gz KSHFXUROMQMXKX-AGIUHOORSA-N 1 0 305.378 2.900 20 5 DFBDRO O=C1CC[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C2(CCC2)N1 ZINC000338632178 284127849 /nfs/dbraw/zinc/12/78/49/284127849.db2.gz HHGLUNZNVKWOIS-CYBMUJFWSA-N 1 0 323.780 2.539 20 5 DFBDRO O=[N+]([O-])c1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)c(F)c1 ZINC000600680016 399116240 /nfs/dbraw/zinc/11/62/40/399116240.db2.gz QZBOZZVQUDUDQL-UHFFFAOYSA-N 1 0 317.320 2.828 20 5 DFBDRO C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708824 399120234 /nfs/dbraw/zinc/12/02/34/399120234.db2.gz GPDZCQOVHCHBLA-UHOFOFEASA-N 1 0 303.406 2.646 20 5 DFBDRO CCC[C@@H](NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600709008 399120560 /nfs/dbraw/zinc/12/05/60/399120560.db2.gz MZXOVZQQPQATDV-OAHLLOKOSA-N 1 0 307.394 2.534 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712347 399120664 /nfs/dbraw/zinc/12/06/64/399120664.db2.gz XEWQINSVOLABHZ-LRDDRELGSA-N 1 0 319.405 2.929 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1=CCSC1 ZINC000595888807 399124090 /nfs/dbraw/zinc/12/40/90/399124090.db2.gz OVNRLFFKMUNDSB-NSHDSACASA-N 1 0 321.402 2.527 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600727585 399126344 /nfs/dbraw/zinc/12/63/44/399126344.db2.gz XUMBQQBDIZMCIJ-YPMHNXCESA-N 1 0 317.311 2.554 20 5 DFBDRO [NH3+][C@@H]1CCc2ccccc2N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595904211 399129223 /nfs/dbraw/zinc/12/92/23/399129223.db2.gz UEVFOBMZZSHYST-MRXNPFEDSA-N 1 0 311.385 2.917 20 5 DFBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000263769463 203555089 /nfs/dbraw/zinc/55/50/89/203555089.db2.gz CIXNKVIAHAHXQO-DGCLKSJQSA-N 1 0 300.362 2.741 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CC1(C)C ZINC000595910292 399131484 /nfs/dbraw/zinc/13/14/84/399131484.db2.gz STVMGOUGDQMZEZ-NWDGAFQWSA-N 1 0 305.378 2.900 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000600750255 399134857 /nfs/dbraw/zinc/13/48/57/399134857.db2.gz VSDDEPPITRVNHN-RWMBFGLXSA-N 1 0 303.362 2.702 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000420154155 296159741 /nfs/dbraw/zinc/15/97/41/296159741.db2.gz CABMGMGPUQOWHK-UWVGGRQHSA-N 1 0 315.320 2.996 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[NH2+]C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420164353 296160139 /nfs/dbraw/zinc/16/01/39/296160139.db2.gz GIVLXQNNACWWJH-GFCCVEGCSA-N 1 0 300.362 2.863 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000600762966 399138826 /nfs/dbraw/zinc/13/88/26/399138826.db2.gz YGYALYAGCAENCB-UONOGXRCSA-N 1 0 320.389 2.504 20 5 DFBDRO C[C@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420184784 296161071 /nfs/dbraw/zinc/16/10/71/296161071.db2.gz JUMHQGWFHYVHRP-SNVBAGLBSA-N 1 0 304.325 2.579 20 5 DFBDRO C[NH2+]CC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420188055 296161273 /nfs/dbraw/zinc/16/12/73/296161273.db2.gz MQUUKNGSZSJGHD-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO [NH3+]C[C@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420207657 296162429 /nfs/dbraw/zinc/16/24/29/296162429.db2.gz XBUNJKPSLDBFRB-GFCCVEGCSA-N 1 0 304.375 2.646 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000420194090 296161544 /nfs/dbraw/zinc/16/15/44/296161544.db2.gz DKVMGDRRZMSFNL-CABCVRRESA-N 1 0 324.384 2.988 20 5 DFBDRO CC(=O)c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000420215638 296162912 /nfs/dbraw/zinc/16/29/12/296162912.db2.gz LFHURJKUSIPZQJ-MRXNPFEDSA-N 1 0 317.389 2.766 20 5 DFBDRO Cc1cc(N2C[C@@H](C[NH3+])C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420220297 296163054 /nfs/dbraw/zinc/16/30/54/296163054.db2.gz RZXGCQFCBBUSMN-NWDGAFQWSA-N 1 0 300.362 2.625 20 5 DFBDRO Cc1nn(C)c(NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)c1[N+](=O)[O-] ZINC000420222045 296163275 /nfs/dbraw/zinc/16/32/75/296163275.db2.gz RCCQAHMVBXGVFB-CQSZACIVSA-N 1 0 317.393 2.872 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000420220874 296163302 /nfs/dbraw/zinc/16/33/02/296163302.db2.gz PVUVMWOSVAQJRF-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]([NH3+])c1ccccc1 ZINC000420223300 296163446 /nfs/dbraw/zinc/16/34/46/296163446.db2.gz UTVOILKHELNBKR-HNNXBMFYSA-N 1 0 301.346 2.853 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420226623 296163562 /nfs/dbraw/zinc/16/35/62/296163562.db2.gz ANPXLCUVZGXHEQ-OCCSQVGLSA-N 1 0 312.373 2.830 20 5 DFBDRO C[C@]1(C[NH3+])CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420249740 296165537 /nfs/dbraw/zinc/16/55/37/296165537.db2.gz YPOMFYOXKIAVEH-OAHLLOKOSA-N 1 0 318.402 2.893 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420252795 296165871 /nfs/dbraw/zinc/16/58/71/296165871.db2.gz ONOVCDIMHPXDNY-WCBMZHEXSA-N 1 0 303.284 2.848 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1[NH2+]CCc3ccccc31)CCN2 ZINC000420255512 296166250 /nfs/dbraw/zinc/16/62/50/296166250.db2.gz SXGXSIBGEZDGFZ-MRXNPFEDSA-N 1 0 324.384 2.862 20 5 DFBDRO [NH3+]CC[C@@H](Nc1ccc([N+](=O)[O-])cc1OC(F)F)C(F)F ZINC000420257626 296166570 /nfs/dbraw/zinc/16/65/70/296166570.db2.gz FFGWYMINMYZQCN-MRVPVSSYSA-N 1 0 311.235 2.591 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000596021824 399150453 /nfs/dbraw/zinc/15/04/53/399150453.db2.gz OAUYSWRRWYOMRI-CHWSQXEVSA-N 1 0 307.394 2.947 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC23CC(C2)C[NH2+]3)cc1C(F)(F)F ZINC000596027692 399150967 /nfs/dbraw/zinc/15/09/67/399150967.db2.gz SWFHOPFDMAJXQG-UHFFFAOYSA-N 1 0 301.268 2.778 20 5 DFBDRO C[C@H]([NH3+])Cc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600792460 399148770 /nfs/dbraw/zinc/14/87/70/399148770.db2.gz IRRSQKHODYHVNU-LBPRGKRZSA-N 1 0 300.358 2.686 20 5 DFBDRO CCOc1cccc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420265727 296167223 /nfs/dbraw/zinc/16/72/23/296167223.db2.gz FGJHQEKKRCADSD-KBPBESRZSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@]1(F)C[NH2+]CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420274007 296168240 /nfs/dbraw/zinc/16/82/40/296168240.db2.gz XVGBCMCCSGRXPC-LBPRGKRZSA-N 1 0 321.274 2.751 20 5 DFBDRO CCOC(=O)c1cc(NCC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000596030263 399152032 /nfs/dbraw/zinc/15/20/32/399152032.db2.gz QTOYFJDXZRHLRB-CYBMUJFWSA-N 1 0 309.366 2.557 20 5 DFBDRO C[NH2+]C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000596033232 399152183 /nfs/dbraw/zinc/15/21/83/399152183.db2.gz RYQQRPHPNBKQAZ-QMMMGPOBSA-N 1 0 302.172 2.686 20 5 DFBDRO CCOc1cccc(N2CCC([C@@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000420269678 296167634 /nfs/dbraw/zinc/16/76/34/296167634.db2.gz YAHBFGFRVVSGSM-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1NC[C@H]1C[NH2+]CCCO1 ZINC000420279385 296168664 /nfs/dbraw/zinc/16/86/64/296168664.db2.gz SSKHQHDSDGMJGC-SECBINFHSA-N 1 0 320.176 2.692 20 5 DFBDRO Cc1cc(N2CC[C@@H](C)[C@@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420277954 296168479 /nfs/dbraw/zinc/16/84/79/296168479.db2.gz ISBVZYZQTUKZTA-YPMHNXCESA-N 1 0 314.389 2.873 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(NC[C@@H]2CCNCC2(F)F)c(F)c1 ZINC000420283924 296169137 /nfs/dbraw/zinc/16/91/37/296169137.db2.gz OKOKWLBLOHGECI-ZETCQYMHSA-N 1 0 307.247 2.530 20 5 DFBDRO Cc1cc2c(c(-c3cc([N+](=O)[O-])ccc3CCO)c1)C[NH2+]CC2 ZINC000600848271 399160035 /nfs/dbraw/zinc/16/00/35/399160035.db2.gz FEAROFHDLFJYPO-UHFFFAOYSA-N 1 0 312.369 2.751 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000264956641 204303584 /nfs/dbraw/zinc/30/35/84/204303584.db2.gz LGZUHAGUSBDGRB-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO CNC(=O)CC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000265032702 204355320 /nfs/dbraw/zinc/35/53/20/204355320.db2.gz GLBLWXMRBACUBI-UHFFFAOYSA-N 1 0 319.386 2.549 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000596065548 399161240 /nfs/dbraw/zinc/16/12/40/399161240.db2.gz ROMLVNABNJGREW-MRXNPFEDSA-N 1 0 305.378 2.948 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000265012794 204341553 /nfs/dbraw/zinc/34/15/53/204341553.db2.gz XHEAFGGTPBOFIB-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+]([C@H](C)c1cccc([N+](=O)[O-])c1)CC2 ZINC000265086556 204387182 /nfs/dbraw/zinc/38/71/82/204387182.db2.gz SQYMWYWVYIJZGT-IUODEOHRSA-N 1 0 318.373 2.931 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@H]1CCOC1)CCC2 ZINC000618568502 399163019 /nfs/dbraw/zinc/16/30/19/399163019.db2.gz XRTKTMSFAOQYHD-GUYCJALGSA-N 1 0 320.389 2.615 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000080652864 399166992 /nfs/dbraw/zinc/16/69/92/399166992.db2.gz KWJZDRFEOLACBA-OAHLLOKOSA-N 1 0 307.394 2.662 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000080652851 399166700 /nfs/dbraw/zinc/16/67/00/399166700.db2.gz ZSPBGFUYVBJYKT-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596091520 399170011 /nfs/dbraw/zinc/17/00/11/399170011.db2.gz MBFSTEBKJYQWAB-SECBINFHSA-N 1 0 311.769 2.905 20 5 DFBDRO Cc1ccc([C@@H](CNc2cc[nH]c(=O)c2[N+](=O)[O-])[NH+](C)C)cc1 ZINC000596092153 399171014 /nfs/dbraw/zinc/17/10/14/399171014.db2.gz KZKRRYULQZEQJV-CQSZACIVSA-N 1 0 316.361 2.719 20 5 DFBDRO C[C@H](CCNc1c([N+](=O)[O-])ncn1C)[N@H+](C)Cc1ccccc1 ZINC000080694268 399171123 /nfs/dbraw/zinc/17/11/23/399171123.db2.gz QWDIJDKXIFOFOF-CYBMUJFWSA-N 1 0 317.393 2.651 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@H](C[NH3+])C1CCCCC1 ZINC000420370092 296181625 /nfs/dbraw/zinc/18/16/25/296181625.db2.gz YKDQNNZSDLTQOQ-OAHLLOKOSA-N 1 0 307.394 2.601 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1O ZINC000282650408 217152842 /nfs/dbraw/zinc/15/28/42/217152842.db2.gz CIFNWUVZOXBEDR-SWLSCSKDSA-N 1 0 310.369 2.963 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COc3ccc(F)cc3C2)c(F)c1 ZINC000342461073 284333171 /nfs/dbraw/zinc/33/31/71/284333171.db2.gz WCQQKLYYFYRJFS-CYBMUJFWSA-N 1 0 320.295 2.966 20 5 DFBDRO C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342474169 284340282 /nfs/dbraw/zinc/34/02/82/284340282.db2.gz PLVYZMLYNSHCGH-FRRDWIJNSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1cccc(N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600953249 399185465 /nfs/dbraw/zinc/18/54/65/399185465.db2.gz XSZLPOCMRACFNS-WDEREUQCSA-N 1 0 317.311 2.867 20 5 DFBDRO CCN(CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+]1CC ZINC000614236488 399185534 /nfs/dbraw/zinc/18/55/34/399185534.db2.gz WCWDSGNCCKDTCB-INIZCTEOSA-N 1 0 321.421 2.780 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000600952345 399185855 /nfs/dbraw/zinc/18/58/55/399185855.db2.gz ZDBKLMAVWZHLHX-LBPRGKRZSA-N 1 0 315.320 2.630 20 5 DFBDRO C[C@H]1C[C@@H]([NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000600962906 399188498 /nfs/dbraw/zinc/18/84/98/399188498.db2.gz PCLHLJCAKUTQEN-GXSJLCMTSA-N 1 0 304.375 2.644 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NCc1cccc2c1CC[NH2+]C2 ZINC000600959203 399187443 /nfs/dbraw/zinc/18/74/43/399187443.db2.gz SUCSWJKBLXDQNO-UHFFFAOYSA-N 1 0 301.321 2.992 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000600966871 399190634 /nfs/dbraw/zinc/19/06/34/399190634.db2.gz UPPFILMSQWGKMX-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO COc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266194696 205173548 /nfs/dbraw/zinc/17/35/48/205173548.db2.gz ZNUQEJGJABKGTM-ZDUSSCGKSA-N 1 0 305.334 2.911 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266256263 205219732 /nfs/dbraw/zinc/21/97/32/205219732.db2.gz OBFNDUGAQBNXJP-SWLSCSKDSA-N 1 0 319.405 2.964 20 5 DFBDRO C[NH+](C)C1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000420630678 296193998 /nfs/dbraw/zinc/19/39/98/296193998.db2.gz SWKYMOHSXXBJBF-UHFFFAOYSA-N 1 0 309.395 2.589 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420642225 296195149 /nfs/dbraw/zinc/19/51/49/296195149.db2.gz VMBMUNALESAYOM-NSHDSACASA-N 1 0 315.320 2.727 20 5 DFBDRO Cc1cc(C(=O)NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000016600092 182051597 /nfs/dbraw/zinc/05/15/97/182051597.db2.gz YYBXUISBOKNNGQ-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000266456613 205361327 /nfs/dbraw/zinc/36/13/27/205361327.db2.gz FKNREVNMHVBWAT-MJBXVCDLSA-N 1 0 319.405 2.515 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000266511656 205399037 /nfs/dbraw/zinc/39/90/37/205399037.db2.gz DTIXIHBDZLYJPY-KGLIPLIRSA-N 1 0 315.377 2.660 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1O ZINC000282932330 217334653 /nfs/dbraw/zinc/33/46/53/217334653.db2.gz FWXMRYKTRIJFBL-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000064009768 399214813 /nfs/dbraw/zinc/21/48/13/399214813.db2.gz VEITXUXGMJKAES-UHFFFAOYSA-N 1 0 305.422 2.944 20 5 DFBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942649 205694742 /nfs/dbraw/zinc/69/47/42/205694742.db2.gz QIDQBPCSLFGKMN-HOCLYGCPSA-N 1 0 314.389 2.744 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1cccs1 ZINC000601100098 399226498 /nfs/dbraw/zinc/22/64/98/399226498.db2.gz KZIAPUKRPCTDMP-NSHDSACASA-N 1 0 310.354 2.905 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342921672 284443274 /nfs/dbraw/zinc/44/32/74/284443274.db2.gz RJRUHZURLVYOKC-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601111450 399230666 /nfs/dbraw/zinc/23/06/66/399230666.db2.gz SAKBWLFVHPDXBO-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601123370 399233419 /nfs/dbraw/zinc/23/34/19/399233419.db2.gz AXTIXVXTLGEBKP-TXEJJXNPSA-N 1 0 323.368 2.727 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134699 399236913 /nfs/dbraw/zinc/23/69/13/399236913.db2.gz KCJQVWJHRIOLRP-RYUDHWBXSA-N 1 0 301.346 2.883 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136705 399238220 /nfs/dbraw/zinc/23/82/20/399238220.db2.gz JVHWKZMWGBQEMM-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601154072 399243449 /nfs/dbraw/zinc/24/34/49/399243449.db2.gz YEPVBGMFJVDALL-QGZVFWFLSA-N 1 0 318.348 2.817 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc([N+](=O)[O-])cc1F ZINC000267615596 206174171 /nfs/dbraw/zinc/17/41/71/206174171.db2.gz OXWYNFLDTJQGOI-HIFRSBDPSA-N 1 0 307.369 2.793 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc4cnccc4c3[N+](=O)[O-])C[C@@H]2C1 ZINC000601184370 399250021 /nfs/dbraw/zinc/25/00/21/399250021.db2.gz LGEAXLTUSSNNFA-KGLIPLIRSA-N 1 0 312.373 2.531 20 5 DFBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1(C)C ZINC000601187919 399251276 /nfs/dbraw/zinc/25/12/76/399251276.db2.gz ZZLXOKRJPIQDMC-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC([NH+]3CCCC3)C2)nc1-c1ccccc1 ZINC000601193414 399252533 /nfs/dbraw/zinc/25/25/33/399252533.db2.gz IHCWTIOYKLVWJM-UHFFFAOYSA-N 1 0 324.384 2.941 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000267769971 206269736 /nfs/dbraw/zinc/26/97/36/206269736.db2.gz GJRYIDRJUMHYGS-GVXVVHGQSA-N 1 0 305.378 2.818 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]31)OCCO2 ZINC000614662863 399257802 /nfs/dbraw/zinc/25/78/02/399257802.db2.gz FOUZXXOMYPGINS-AAEUAGOBSA-N 1 0 304.346 2.740 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000601269547 399267153 /nfs/dbraw/zinc/26/71/53/399267153.db2.gz HOQRLZGNVZYKGA-JYJNAYRXSA-N 1 0 318.373 2.521 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCc2nccn2C1 ZINC000614772371 399266585 /nfs/dbraw/zinc/26/65/85/399266585.db2.gz XHVAGOVXPQQKPZ-GFCCVEGCSA-N 1 0 318.352 2.625 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601292447 399270973 /nfs/dbraw/zinc/27/09/73/399270973.db2.gz XFQQKSNOGNZFTE-RWMBFGLXSA-N 1 0 310.419 2.826 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300997 399273831 /nfs/dbraw/zinc/27/38/31/399273831.db2.gz OJYXAPCDBGRANM-YGOYTEALSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1c(Cl)c(CN(C)CCc2cccc([N+](=O)[O-])c2)nn1C ZINC000421351075 296246746 /nfs/dbraw/zinc/24/67/46/296246746.db2.gz BJJAGNIATKJVKW-UHFFFAOYSA-N 1 0 322.796 2.965 20 5 DFBDRO [NH3+]C[C@@H]1Cc2ccccc2N(Cc2csc([N+](=O)[O-])c2)C1 ZINC000601335732 399279015 /nfs/dbraw/zinc/27/90/15/399279015.db2.gz QWAPSPSWEXUZLX-NSHDSACASA-N 1 0 303.387 2.794 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421374427 296250038 /nfs/dbraw/zinc/25/00/38/296250038.db2.gz OUKRMNLBJYGZGN-VFQAQYNWSA-N 1 0 302.374 2.987 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421374426 296250179 /nfs/dbraw/zinc/25/01/79/296250179.db2.gz OUKRMNLBJYGZGN-OMVNSRBRSA-N 1 0 302.374 2.987 20 5 DFBDRO CON1CCC([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000421401811 296252984 /nfs/dbraw/zinc/25/29/84/296252984.db2.gz UYRNLMGKQJBVHZ-CYBMUJFWSA-N 1 0 307.394 2.531 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487930069 299485937 /nfs/dbraw/zinc/48/59/37/299485937.db2.gz MALBWHJKPVHCGT-LBPRGKRZSA-N 1 0 302.378 2.707 20 5 DFBDRO C[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCCC1 ZINC000039536609 183020647 /nfs/dbraw/zinc/02/06/47/183020647.db2.gz VTHSHGSBHKKDSC-UHFFFAOYSA-N 1 0 305.378 2.848 20 5 DFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@@H]1[NH+]1CCCC1 ZINC000614978019 399287699 /nfs/dbraw/zinc/28/76/99/399287699.db2.gz RZGIHKPMRHWFME-QWRGUYRKSA-N 1 0 313.448 2.672 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000421525196 296263067 /nfs/dbraw/zinc/26/30/67/296263067.db2.gz FKWZIXQCDJPJIZ-KBPBESRZSA-N 1 0 317.389 2.568 20 5 DFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601541552 399298015 /nfs/dbraw/zinc/29/80/15/399298015.db2.gz YICFISGMZGTKEQ-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000601566258 399301562 /nfs/dbraw/zinc/30/15/62/399301562.db2.gz IBPRZJHMDIRETD-GFCCVEGCSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609135594 399305507 /nfs/dbraw/zinc/30/55/07/399305507.db2.gz SIEVGXIJYBASIY-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609258419 399310729 /nfs/dbraw/zinc/31/07/29/399310729.db2.gz UOYNTINGDLMVJT-AWEZNQCLSA-N 1 0 316.361 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258420 399310786 /nfs/dbraw/zinc/31/07/86/399310786.db2.gz UOYNTINGDLMVJT-CQSZACIVSA-N 1 0 316.361 2.507 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@H]1CCC[NH2+]C1 ZINC000043326916 183355434 /nfs/dbraw/zinc/35/54/34/183355434.db2.gz PDGYCYWEPNIUTC-VIFPVBQESA-N 1 0 300.156 2.521 20 5 DFBDRO Cc1c(NC(=O)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000043348061 183356823 /nfs/dbraw/zinc/35/68/23/183356823.db2.gz SNLFGJJYGXPYNF-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000609552416 399322837 /nfs/dbraw/zinc/32/28/37/399322837.db2.gz YRWOFDMAUDQQTH-ZDUSSCGKSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1cccc(C(=O)NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000421683500 296272415 /nfs/dbraw/zinc/27/24/15/296272415.db2.gz FDBMWHDBZFRMBW-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1cnc(Nc2cnn(-c3cc[nH+]cc3)c2)c(Cl)c1 ZINC000609892484 399335320 /nfs/dbraw/zinc/33/53/20/399335320.db2.gz HUDIESHWJFWRDW-UHFFFAOYSA-N 1 0 316.708 2.968 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000601792274 399337613 /nfs/dbraw/zinc/33/76/13/399337613.db2.gz UOTWODSNXDWUDY-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284410942 218016350 /nfs/dbraw/zinc/01/63/50/218016350.db2.gz QNIUNPZVDMZTAL-DUVNUKRYSA-N 1 0 324.421 2.712 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000104530099 194014098 /nfs/dbraw/zinc/01/40/98/194014098.db2.gz XTMQGOQTXGMMCZ-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO COC[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284591155 218091635 /nfs/dbraw/zinc/09/16/35/218091635.db2.gz QEIASGFRQXYSGZ-PMGBHYCQSA-N 1 0 320.389 2.734 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000045775079 183528983 /nfs/dbraw/zinc/52/89/83/183528983.db2.gz HWHKIWQLBBCHCW-INIZCTEOSA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000610227312 399347694 /nfs/dbraw/zinc/34/76/94/399347694.db2.gz JXYODSQJTXRFCT-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284695810 218137731 /nfs/dbraw/zinc/13/77/31/218137731.db2.gz IFDGOBLYLTWMBP-UKRRQHHQSA-N 1 0 306.362 2.617 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284757442 218163865 /nfs/dbraw/zinc/16/38/65/218163865.db2.gz LXGQQXYSFFOONC-BBRMVZONSA-N 1 0 306.362 2.747 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3C[C@H]3CO)s2)cc1 ZINC000619551653 399360709 /nfs/dbraw/zinc/36/07/09/399360709.db2.gz NRIBTMSGLVTYJP-SMDDNHRTSA-N 1 0 304.371 2.794 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H]1CC[C@H](C)[N@H+]1C ZINC000619581812 399364744 /nfs/dbraw/zinc/36/47/44/399364744.db2.gz QVIXAEKRTARGGS-JSGCOSHPSA-N 1 0 319.405 2.733 20 5 DFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284928931 218239162 /nfs/dbraw/zinc/23/91/62/218239162.db2.gz DKQXFKYZFYMBQG-XHDPSFHLSA-N 1 0 307.394 2.625 20 5 DFBDRO CC[C@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610453348 399369581 /nfs/dbraw/zinc/36/95/81/399369581.db2.gz UJFHHUAPPRHOOM-INIZCTEOSA-N 1 0 300.362 2.801 20 5 DFBDRO Cn1ccnc1CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000105875803 194152948 /nfs/dbraw/zinc/15/29/48/194152948.db2.gz WEUOHMMIUWICNI-UHFFFAOYSA-N 1 0 314.389 2.783 20 5 DFBDRO O=C(CC[NH2+][C@H]1CCCC12CC2)Nc1ccccc1[N+](=O)[O-] ZINC000601969050 399371298 /nfs/dbraw/zinc/37/12/98/399371298.db2.gz RWZDNRAZIPDJGF-AWEZNQCLSA-N 1 0 303.362 2.846 20 5 DFBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000610479323 399371659 /nfs/dbraw/zinc/37/16/59/399371659.db2.gz TXMPCEGXDVDELV-UHFFFAOYSA-N 1 0 313.423 2.958 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C12CC3CC(CC(C3)C1)C2 ZINC000610484728 399372346 /nfs/dbraw/zinc/37/23/46/399372346.db2.gz RTWBINFLAWZZQM-ORVZXPRGSA-N 1 0 318.421 2.986 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601971807 399372501 /nfs/dbraw/zinc/37/25/01/399372501.db2.gz WPMFEXKFERRHPA-BBRMVZONSA-N 1 0 319.405 2.907 20 5 DFBDRO C[NH+](C)CCCOC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610510524 399375563 /nfs/dbraw/zinc/37/55/63/399375563.db2.gz OZMFUUNNSQBLRI-UHFFFAOYSA-N 1 0 313.423 2.593 20 5 DFBDRO CCOc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000610515396 399376132 /nfs/dbraw/zinc/37/61/32/399376132.db2.gz GEAOXAZPJHNAQP-CYBMUJFWSA-N 1 0 307.394 2.960 20 5 DFBDRO COC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000615726080 399378103 /nfs/dbraw/zinc/37/81/03/399378103.db2.gz PMWSCQFMHGBIDJ-UVTDQMKNSA-N 1 0 320.389 2.783 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000610539412 399378675 /nfs/dbraw/zinc/37/86/75/399378675.db2.gz ODHCYDFVVRRTNM-WQGACYEGSA-N 1 0 305.378 2.502 20 5 DFBDRO COC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1C ZINC000602007848 399382130 /nfs/dbraw/zinc/38/21/30/399382130.db2.gz ZYAFJVULHUEEBP-NSHDSACASA-N 1 0 317.345 2.571 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000273736506 211017494 /nfs/dbraw/zinc/01/74/94/211017494.db2.gz NLSLWEJAXZWGQD-UWVGGRQHSA-N 1 0 314.769 2.926 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1 ZINC000285192042 218327242 /nfs/dbraw/zinc/32/72/42/218327242.db2.gz CKEWBEDXXHYXTN-QGZVFWFLSA-N 1 0 300.358 2.803 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000285319207 218379477 /nfs/dbraw/zinc/37/94/77/218379477.db2.gz MTSXYXQNRARZPG-QGZVFWFLSA-N 1 0 318.348 2.942 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000610668441 399390550 /nfs/dbraw/zinc/39/05/50/399390550.db2.gz IPFFBUJENXXDCI-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000602167613 399404600 /nfs/dbraw/zinc/40/46/00/399404600.db2.gz ODIUVISHYIFBRW-GASCZTMLSA-N 1 0 317.389 2.514 20 5 DFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000602168108 399404190 /nfs/dbraw/zinc/40/41/90/399404190.db2.gz SETGRPDMGWDBKC-PHIMTYICSA-N 1 0 323.780 2.605 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1(O)CCCC1)C1CC1 ZINC000610817159 399409017 /nfs/dbraw/zinc/40/90/17/399409017.db2.gz HNIRONFMBRSWNK-OAHLLOKOSA-N 1 0 304.390 2.811 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000610828285 399410407 /nfs/dbraw/zinc/41/04/07/399410407.db2.gz RAOXEOPDWRRLHC-WWGRRREGSA-N 1 0 319.405 2.811 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422721277 296321444 /nfs/dbraw/zinc/32/14/44/296321444.db2.gz UUZVVCGYQXVVHO-JKSUJKDBSA-N 1 0 313.357 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000058093322 184074423 /nfs/dbraw/zinc/07/44/23/184074423.db2.gz YMYGZQXGSLROCU-UHFFFAOYSA-N 1 0 314.341 2.698 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000268997222 207153334 /nfs/dbraw/zinc/15/33/34/207153334.db2.gz KWLYXRFPUZFMHH-IYXRBSQSSA-N 1 0 319.405 2.859 20 5 DFBDRO C[N@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(C)(C)O ZINC000602467081 399452251 /nfs/dbraw/zinc/45/22/51/399452251.db2.gz FKBCMEHHPGSRFU-UHFFFAOYSA-N 1 0 306.284 2.816 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602467581 399452427 /nfs/dbraw/zinc/45/24/27/399452427.db2.gz XSFDUTIJRVNTIP-HNNXBMFYSA-N 1 0 314.389 2.783 20 5 DFBDRO CCc1nc(C)c([C@@H](C)N(C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602471863 399452982 /nfs/dbraw/zinc/45/29/82/399452982.db2.gz LUICHZTWYPUHJX-SNVBAGLBSA-N 1 0 323.422 2.849 20 5 DFBDRO COc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000611209182 399445604 /nfs/dbraw/zinc/44/56/04/399445604.db2.gz BRCPXVKLPIIDII-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000611270114 399454736 /nfs/dbraw/zinc/45/47/36/399454736.db2.gz RRIJJLIFQZPGTE-QTONRWBISA-N 1 0 312.373 2.969 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CCCC[NH+](C)C ZINC000611281287 399457318 /nfs/dbraw/zinc/45/73/18/399457318.db2.gz YYKZIADKABANGB-UHFFFAOYSA-N 1 0 321.421 2.934 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCCO1 ZINC000602498775 399461233 /nfs/dbraw/zinc/46/12/33/399461233.db2.gz KTGVLDGOXVGHHK-NSHDSACASA-N 1 0 304.268 2.882 20 5 DFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000602517235 399466516 /nfs/dbraw/zinc/46/65/16/399466516.db2.gz CWOGXLLQDIOAMR-DYEKYZERSA-N 1 0 305.378 2.693 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000602517045 399466589 /nfs/dbraw/zinc/46/65/89/399466589.db2.gz ANLGHUHYCSFFCM-RYUDHWBXSA-N 1 0 303.366 2.661 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@@H]1C ZINC000602531555 399469161 /nfs/dbraw/zinc/46/91/61/399469161.db2.gz URBMQAOPSRFZOT-UONOGXRCSA-N 1 0 319.405 2.516 20 5 DFBDRO COC[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602531203 399469525 /nfs/dbraw/zinc/46/95/25/399469525.db2.gz REBVBIJSVOQWMR-SECBINFHSA-N 1 0 306.284 2.986 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000602535387 399470372 /nfs/dbraw/zinc/47/03/72/399470372.db2.gz YGCJFHJEIZQOCC-ZDUSSCGKSA-N 1 0 317.389 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CCO)c2ccccc2)cc1 ZINC000602552264 399474060 /nfs/dbraw/zinc/47/40/60/399474060.db2.gz MNKQUUHWESQTTI-QGZVFWFLSA-N 1 0 314.385 2.893 20 5 DFBDRO [NH3+]CCCCCCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000269235565 207363009 /nfs/dbraw/zinc/36/30/09/207363009.db2.gz UCRROVIGBSTVCX-UHFFFAOYSA-N 1 0 321.421 2.943 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)CO ZINC000602559754 399475944 /nfs/dbraw/zinc/47/59/44/399475944.db2.gz QKFFFADWCVAXTM-RKDXNWHRSA-N 1 0 306.284 2.720 20 5 DFBDRO CCC[C@@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564045 399477531 /nfs/dbraw/zinc/47/75/31/399477531.db2.gz CXWPCKLHOBNLGB-IUODEOHRSA-N 1 0 304.394 2.737 20 5 DFBDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611462796 399479039 /nfs/dbraw/zinc/47/90/39/399479039.db2.gz ZXCNTEUCSOEZIZ-INIZCTEOSA-N 1 0 319.361 2.863 20 5 DFBDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580030 399481519 /nfs/dbraw/zinc/48/15/19/399481519.db2.gz CCCUUWXJWMHBMF-AGIUHOORSA-N 1 0 305.378 2.693 20 5 DFBDRO CN1Cc2ccccc2[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602578376 399481783 /nfs/dbraw/zinc/48/17/83/399481783.db2.gz DVJIGZIOAHSBTL-GOSISDBHSA-N 1 0 311.385 2.914 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)Cc1ccccc1 ZINC000602583193 399482842 /nfs/dbraw/zinc/48/28/42/399482842.db2.gz RKMSJGRTWAMSHW-KBXCAEBGSA-N 1 0 314.385 2.719 20 5 DFBDRO CC(C)[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000611501787 399483222 /nfs/dbraw/zinc/48/32/22/399483222.db2.gz MAEVHCRDOXNXHG-MRXNPFEDSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[C@](C)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602593910 399486797 /nfs/dbraw/zinc/48/67/97/399486797.db2.gz QRMBZNWSATVROW-SNVBAGLBSA-N 1 0 323.212 2.669 20 5 DFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])s2)c2ccccc21 ZINC000602621308 399492540 /nfs/dbraw/zinc/49/25/40/399492540.db2.gz HGQDHJCFAOXDQP-JTQLQIEISA-N 1 0 317.370 2.749 20 5 DFBDRO Cc1ccccc1C[C@H](C)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602636465 399498590 /nfs/dbraw/zinc/49/85/90/399498590.db2.gz HNIBMIQZXPKRBS-ZDUSSCGKSA-N 1 0 302.378 2.700 20 5 DFBDRO CC(C)=CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602635928 399498800 /nfs/dbraw/zinc/49/88/00/399498800.db2.gz VRRHECPEXCEZKO-UHFFFAOYSA-N 1 0 304.394 2.905 20 5 DFBDRO CO[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000602638100 399499496 /nfs/dbraw/zinc/49/94/96/399499496.db2.gz RUSFIHHHJYVRMK-OAHLLOKOSA-N 1 0 318.377 2.766 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708621 399508514 /nfs/dbraw/zinc/50/85/14/399508514.db2.gz GWWIXHWLASAOQY-GFCCVEGCSA-N 1 0 315.377 2.505 20 5 DFBDRO C[C@H]1C[C@@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000611707735 399508757 /nfs/dbraw/zinc/50/87/57/399508757.db2.gz KVRRLBYVWGSKKL-WDEREUQCSA-N 1 0 313.361 2.575 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347063408 285008675 /nfs/dbraw/zinc/00/86/75/285008675.db2.gz JHODNLIUHVKBOF-ZDUSSCGKSA-N 1 0 315.373 2.896 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000422849728 296344655 /nfs/dbraw/zinc/34/46/55/296344655.db2.gz CLFGNWMQPYNSLL-INIZCTEOSA-N 1 0 307.394 2.821 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000347369830 285017403 /nfs/dbraw/zinc/01/74/03/285017403.db2.gz UKYMHLRCOBFJQU-QSOAKEGCSA-N 1 0 317.389 2.551 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422852842 296344885 /nfs/dbraw/zinc/34/48/85/296344885.db2.gz RIMBDABAHDJBLX-MLGOLLRUSA-N 1 0 319.405 2.918 20 5 DFBDRO CC[C@@H](C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)OC ZINC000602666838 399511147 /nfs/dbraw/zinc/51/11/47/399511147.db2.gz LTZKPKJWYDLKBO-ZETCQYMHSA-N 1 0 323.212 2.933 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC(C)(C)C[NH3+] ZINC000422887988 296350887 /nfs/dbraw/zinc/35/08/87/296350887.db2.gz BVNYOEYUNBIKFE-UHFFFAOYSA-N 1 0 307.394 2.577 20 5 DFBDRO Cc1c(Br)c(SCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000347415204 285042765 /nfs/dbraw/zinc/04/27/65/285042765.db2.gz VACULFZCWJQQRN-UHFFFAOYSA-N 1 0 320.212 2.714 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[C@@H]3CCOC3)nc2c1 ZINC000602681124 399517753 /nfs/dbraw/zinc/51/77/53/399517753.db2.gz KMUVPXWVRLIXDO-LLVKDONJSA-N 1 0 305.334 2.642 20 5 DFBDRO COc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935857 296357750 /nfs/dbraw/zinc/35/77/50/296357750.db2.gz ASPRUZVHJVYPOH-LSDHHAIUSA-N 1 0 313.357 2.838 20 5 DFBDRO COC1CC(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602704081 399528948 /nfs/dbraw/zinc/52/89/48/399528948.db2.gz CBHVBAHXIUQVLT-UHFFFAOYSA-N 1 0 305.334 2.641 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602708108 399531477 /nfs/dbraw/zinc/53/14/77/399531477.db2.gz ZGYGVHDJMVDZFJ-GFCCVEGCSA-N 1 0 318.377 2.698 20 5 DFBDRO COc1cc(N2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000270182851 208245210 /nfs/dbraw/zinc/24/52/10/208245210.db2.gz NGJCQVQBILKQQH-CQSZACIVSA-N 1 0 319.405 2.772 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000149420751 285091094 /nfs/dbraw/zinc/09/10/94/285091094.db2.gz UKSOMKACVNFTNB-LBPRGKRZSA-N 1 0 310.785 2.612 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CCCC3)CC2)cn1 ZINC000602719615 399537354 /nfs/dbraw/zinc/53/73/54/399537354.db2.gz ZXNJCQAOURRLTL-UHFFFAOYSA-N 1 0 302.378 2.659 20 5 DFBDRO CC(C)[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602719622 399537570 /nfs/dbraw/zinc/53/75/70/399537570.db2.gz ZZRUKGFEVQFSQD-QGZVFWFLSA-N 1 0 318.421 2.983 20 5 DFBDRO Cc1cc(N[C@H]2CCC[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611919020 399543980 /nfs/dbraw/zinc/54/39/80/399543980.db2.gz NBMHDFNHMFPRDW-WCQYABFASA-N 1 0 301.346 2.589 20 5 DFBDRO CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H]1C ZINC000611929752 399545037 /nfs/dbraw/zinc/54/50/37/399545037.db2.gz PFKYOFOQEZGDMO-CYBMUJFWSA-N 1 0 314.389 2.982 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000120194349 195116823 /nfs/dbraw/zinc/11/68/23/195116823.db2.gz IXUCWSHEQHDPHP-UHFFFAOYSA-N 1 0 320.393 2.675 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)nc1 ZINC000301203793 285123460 /nfs/dbraw/zinc/12/34/60/285123460.db2.gz RJROFWBJAXMBFK-OAHLLOKOSA-N 1 0 304.394 2.835 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120246502 195126886 /nfs/dbraw/zinc/12/68/86/195126886.db2.gz BQCWOVIRFUEIIM-MAZHCROVSA-N 1 0 320.389 2.719 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000296668091 285141412 /nfs/dbraw/zinc/14/14/12/285141412.db2.gz ZCENAUPZIYXXNG-JSGCOSHPSA-N 1 0 301.350 2.510 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000602777998 399568160 /nfs/dbraw/zinc/56/81/60/399568160.db2.gz AKUAPHWLYRFHMX-MRXNPFEDSA-N 1 0 314.389 2.664 20 5 DFBDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602783258 399571374 /nfs/dbraw/zinc/57/13/74/399571374.db2.gz KDOOFALRVINOOG-UONOGXRCSA-N 1 0 320.389 2.863 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000024212408 285163519 /nfs/dbraw/zinc/16/35/19/285163519.db2.gz KSJADTLKGSTTJW-UHFFFAOYSA-N 1 0 311.385 2.960 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CCCOC1)C1CC1 ZINC000178424975 285161494 /nfs/dbraw/zinc/16/14/94/285161494.db2.gz SRUOOXUXJIFIJP-CZUORRHYSA-N 1 0 304.390 2.932 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000602788863 399574142 /nfs/dbraw/zinc/57/41/42/399574142.db2.gz SHCMKJBPOCLIOS-AWEZNQCLSA-N 1 0 318.352 2.728 20 5 DFBDRO Cn1cc(CN(C2CC2)[C@@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602790841 399575007 /nfs/dbraw/zinc/57/50/07/399575007.db2.gz LBSRKBRKFVYOTA-MRXNPFEDSA-N 1 0 312.373 2.980 20 5 DFBDRO CC[C@H](c1ccncc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797736 399578579 /nfs/dbraw/zinc/57/85/79/399578579.db2.gz JYJJZDWUEVCZJD-CQSZACIVSA-N 1 0 303.366 2.578 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2nccs2)n1 ZINC000331534221 285169771 /nfs/dbraw/zinc/16/97/71/285169771.db2.gz FCEBLTUSHLIDPP-MNOVXSKESA-N 1 0 307.379 2.521 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602803009 399581242 /nfs/dbraw/zinc/58/12/42/399581242.db2.gz UNUCKJFNMNHIOD-LBPRGKRZSA-N 1 0 318.377 2.849 20 5 DFBDRO CC(C)C([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)C ZINC000612121396 399587172 /nfs/dbraw/zinc/58/71/72/399587172.db2.gz UDQRMDFKMZYZLC-CYBMUJFWSA-N 1 0 310.394 2.605 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000602827036 399591376 /nfs/dbraw/zinc/59/13/76/399591376.db2.gz NKEGQMFIEAHKLU-UHFFFAOYSA-N 1 0 312.373 2.889 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423269352 296398884 /nfs/dbraw/zinc/39/88/84/296398884.db2.gz FNOYMNZKXWLBJY-HUBLWGQQSA-N 1 0 307.394 2.700 20 5 DFBDRO NC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000423268789 296398925 /nfs/dbraw/zinc/39/89/25/296398925.db2.gz DYGKZTMIAPDXMT-IMJJTQAJSA-N 1 0 303.406 2.633 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156078365 197085505 /nfs/dbraw/zinc/08/55/05/197085505.db2.gz CHLOWOINQVGWOC-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423397082 296412406 /nfs/dbraw/zinc/41/24/06/296412406.db2.gz ULGNZPVOWKIOSG-SCRDCRAPSA-N 1 0 307.394 2.785 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000360994596 285241969 /nfs/dbraw/zinc/24/19/69/285241969.db2.gz JQZQNNOBIGCIFV-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2(CO)CC2)s1 ZINC000120374740 195153790 /nfs/dbraw/zinc/15/37/90/195153790.db2.gz DJMLJLQWQLQPKS-UHFFFAOYSA-N 1 0 304.371 2.938 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153860872 196916250 /nfs/dbraw/zinc/91/62/50/196916250.db2.gz CRIQINGKWWBNAU-NSHDSACASA-N 1 0 312.801 2.811 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000423524990 296426204 /nfs/dbraw/zinc/42/62/04/296426204.db2.gz PBPNJTSGJFSFBK-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CCOCC1 ZINC000120667428 195212143 /nfs/dbraw/zinc/21/21/43/195212143.db2.gz QXLLTNYDNIFISJ-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545860 296428366 /nfs/dbraw/zinc/42/83/66/296428366.db2.gz DWNWFBAUHHGIKN-JSGCOSHPSA-N 1 0 307.394 2.786 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612528 209060684 /nfs/dbraw/zinc/06/06/84/209060684.db2.gz CRDQOCGKPOOYJA-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000423617741 296434281 /nfs/dbraw/zinc/43/42/81/296434281.db2.gz TUZXBASHKOCVHH-NEPJUHHUSA-N 1 0 305.378 2.541 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423626600 296435049 /nfs/dbraw/zinc/43/50/49/296435049.db2.gz SQUSUKGECODEDT-AAEUAGOBSA-N 1 0 305.378 2.589 20 5 DFBDRO COc1cncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000289554669 221061814 /nfs/dbraw/zinc/06/18/14/221061814.db2.gz XLWPDNQGDCSIPL-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO Cc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000289626071 221111728 /nfs/dbraw/zinc/11/17/28/221111728.db2.gz LSLFWQQALVIGSU-XYPWUTKMSA-N 1 0 303.406 2.960 20 5 DFBDRO COc1c(O)cccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289682923 221151452 /nfs/dbraw/zinc/15/14/52/221151452.db2.gz ZRWFULWGMCFAFV-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289735998 221189604 /nfs/dbraw/zinc/18/96/04/221189604.db2.gz JHQNUMPHKBQZMA-HOTGVXAUSA-N 1 0 322.405 2.908 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294905412 224299465 /nfs/dbraw/zinc/29/94/65/224299465.db2.gz WDLXJYAWSYUQMU-GDJRKYJOSA-N 1 0 317.389 2.785 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cn[nH]c2)cc1[N+](=O)[O-] ZINC000289841945 221263556 /nfs/dbraw/zinc/26/35/56/221263556.db2.gz PWMGSUIIMSELRL-NSHDSACASA-N 1 0 304.350 2.610 20 5 DFBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1[C@H]1CCCO1 ZINC000289889668 221295500 /nfs/dbraw/zinc/29/55/00/221295500.db2.gz SIAJGDNXCJJCFB-XHSDSOJGSA-N 1 0 320.389 2.518 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1[C@H]1CCCO1 ZINC000289911562 221312402 /nfs/dbraw/zinc/31/24/02/221312402.db2.gz UFFVTAPRMZCIMD-HZPDHXFCSA-N 1 0 320.389 2.863 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000289930746 221325256 /nfs/dbraw/zinc/32/52/56/221325256.db2.gz WKGGWDMIJAORIT-NHYWBVRUSA-N 1 0 320.393 2.571 20 5 DFBDRO Cc1nsc(C)c1CN[C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000602962784 399641377 /nfs/dbraw/zinc/64/13/77/399641377.db2.gz OYTZLDQQPVTOIL-OAHLLOKOSA-N 1 0 321.402 2.665 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000602997705 399654387 /nfs/dbraw/zinc/65/43/87/399654387.db2.gz PDRVTSNTSCUJGH-FMKPAKJESA-N 1 0 320.389 2.729 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)c(F)c1 ZINC000602997224 399654395 /nfs/dbraw/zinc/65/43/95/399654395.db2.gz GAKQOQXXQOGANT-BMFZPTHFSA-N 1 0 308.353 2.859 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CCS1 ZINC000617322366 399661416 /nfs/dbraw/zinc/66/14/16/399661416.db2.gz MZGZDMCPJBVCII-NSHDSACASA-N 1 0 324.402 2.693 20 5 DFBDRO C[C@]1(C2CCCCC2)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000603029162 399661547 /nfs/dbraw/zinc/66/15/47/399661547.db2.gz KGEATCDHSHYDHA-QGZVFWFLSA-N 1 0 319.405 2.801 20 5 DFBDRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000602967478 399642595 /nfs/dbraw/zinc/64/25/95/399642595.db2.gz JFNZICLKYJQKDS-MXWKQRLJSA-N 1 0 320.315 2.843 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](O)C[C@@H]1C1CC1 ZINC000602974504 399644397 /nfs/dbraw/zinc/64/43/97/399644397.db2.gz PFSLRUFHFPONNQ-HZPDHXFCSA-N 1 0 320.389 2.727 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000602988277 399650895 /nfs/dbraw/zinc/65/08/95/399650895.db2.gz FNKFLKCUNYFJPW-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1Cn1cccn1 ZINC000612577380 399679940 /nfs/dbraw/zinc/67/99/40/399679940.db2.gz DQBGIXRMUXLOEN-INIZCTEOSA-N 1 0 300.362 2.764 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000612613189 399690120 /nfs/dbraw/zinc/69/01/20/399690120.db2.gz PIXJFYIBXBYTPS-LLVKDONJSA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)n1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000603185759 399705235 /nfs/dbraw/zinc/70/52/35/399705235.db2.gz LISCMNGBUBRRBF-HZMBPMFUSA-N 1 0 303.366 2.842 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000348090566 285340306 /nfs/dbraw/zinc/34/03/06/285340306.db2.gz WEHNHECQRLMGIE-UHFFFAOYSA-N 1 0 305.378 2.637 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000603250628 399723338 /nfs/dbraw/zinc/72/33/38/399723338.db2.gz KTSBTHQUSISQJB-ABAIWWIYSA-N 1 0 303.366 2.760 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)[C@@H](C)C1 ZINC000612790171 399724623 /nfs/dbraw/zinc/72/46/23/399724623.db2.gz ADMHZKISUMIGRV-CABZTGNLSA-N 1 0 315.320 2.948 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000423754646 296443947 /nfs/dbraw/zinc/44/39/47/296443947.db2.gz ZYHWYLVNFCIMBF-QWRGUYRKSA-N 1 0 323.418 2.564 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cn1C ZINC000348130638 285370587 /nfs/dbraw/zinc/37/05/87/285370587.db2.gz MNDPXSNEIFSZLQ-LLVKDONJSA-N 1 0 317.345 2.571 20 5 DFBDRO O=C(CC[N@@H+]1CCC2(CCC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000123315152 195567910 /nfs/dbraw/zinc/56/79/10/195567910.db2.gz GZMASERURPQKKD-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000603426711 399773738 /nfs/dbraw/zinc/77/37/38/399773738.db2.gz ITPYQRICEJZMRZ-CQSZACIVSA-N 1 0 308.378 2.634 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](CO)CC(F)(F)F ZINC000603427537 399773819 /nfs/dbraw/zinc/77/38/19/399773819.db2.gz MZVQZKOVGLFGMA-JSJZCHLLSA-N 1 0 318.295 2.901 20 5 DFBDRO CCC[NH+]1CCC(N(C)c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000299485389 132108305 /nfs/dbraw/zinc/10/83/05/132108305.db2.gz BAHDJYSBQCTRMQ-UHFFFAOYSA-N 1 0 323.422 2.615 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000164188505 132131951 /nfs/dbraw/zinc/13/19/51/132131951.db2.gz QTLVGBDUEYUEDN-WFASDCNBSA-N 1 0 320.393 2.753 20 5 DFBDRO C[C@@H](C(=O)Nc1cc(N(C)C)cc[nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000617762896 399793959 /nfs/dbraw/zinc/79/39/59/399793959.db2.gz OYBSOGDYWLHGNE-LLVKDONJSA-N 1 0 314.345 2.798 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000424137321 296487001 /nfs/dbraw/zinc/48/70/01/296487001.db2.gz LTHAPHBXJRUEDJ-JSGCOSHPSA-N 1 0 319.405 2.953 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000212085721 542870800 /nfs/dbraw/zinc/87/08/00/542870800.db2.gz IBHVAUCBZJHMMM-SREVYHEPSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000216077377 542874476 /nfs/dbraw/zinc/87/44/76/542874476.db2.gz IPUAJXSQOFKEOA-IUCAKERBSA-N 1 0 303.284 2.787 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271627860 209073161 /nfs/dbraw/zinc/07/31/61/209073161.db2.gz YMSPYBJNZXLZQY-VXGBXAGGSA-N 1 0 321.377 2.805 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCc3cccc([N+](=O)[O-])c3)C[C@H]2C1 ZINC000424279905 296498521 /nfs/dbraw/zinc/49/85/21/296498521.db2.gz HMCBJZBCRZAPFU-OOIBXKBGSA-N 1 0 304.390 2.931 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348522310 285583006 /nfs/dbraw/zinc/58/30/06/285583006.db2.gz WQOIFUAPNFDKAR-STQMWFEESA-N 1 0 316.304 2.724 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248591055 542936671 /nfs/dbraw/zinc/93/66/71/542936671.db2.gz ZMVWHRXZPGZYSK-UHIISALHSA-N 1 0 305.378 2.608 20 5 DFBDRO COc1ccnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000424304679 296500363 /nfs/dbraw/zinc/50/03/63/296500363.db2.gz BPGRLBJBJNMFHA-LBPRGKRZSA-N 1 0 316.361 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2c3ccccc3CC[C@H]2CO)cc1 ZINC000365165791 296504167 /nfs/dbraw/zinc/50/41/67/296504167.db2.gz CNPCCYLJEDNQPK-MAUKXSAKSA-N 1 0 312.369 2.980 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@H](CO)c2cccnc2)cccc1[N+](=O)[O-] ZINC000348697854 285644795 /nfs/dbraw/zinc/64/47/95/285644795.db2.gz NJPPIWLKTUHEKG-ZFWWWQNUSA-N 1 0 315.373 2.725 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)c2cccnc2)cc1[N+](=O)[O-] ZINC000348754187 285659347 /nfs/dbraw/zinc/65/93/47/285659347.db2.gz JVYWHUNPYJSILG-XJKSGUPXSA-N 1 0 315.373 2.725 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000348843547 285696307 /nfs/dbraw/zinc/69/63/07/285696307.db2.gz BWKKDHIKSFQVMG-CYBMUJFWSA-N 1 0 321.421 2.980 20 5 DFBDRO Cc1cccc(NC[C@H]2CCN(c3cccnc3[N+](=O)[O-])C2)[nH+]1 ZINC000604557782 399855312 /nfs/dbraw/zinc/85/53/12/399855312.db2.gz UUYIKZDKZYNHSP-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO CC[C@H]1C[C@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCO1 ZINC000348933332 285725272 /nfs/dbraw/zinc/72/52/72/285725272.db2.gz IOHFJTPJAARXMD-KGLIPLIRSA-N 1 0 307.394 2.565 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000604558079 399856516 /nfs/dbraw/zinc/85/65/16/399856516.db2.gz XEQHYRUIGTVQSX-CYBMUJFWSA-N 1 0 300.362 2.708 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000425261699 296562112 /nfs/dbraw/zinc/56/21/12/296562112.db2.gz ZBBVBLPSQLKHCA-UHFFFAOYSA-N 1 0 310.373 2.628 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000163399262 145222338 /nfs/dbraw/zinc/22/23/38/145222338.db2.gz JWYJSAFDFNGADO-LBPRGKRZSA-N 1 0 305.378 2.868 20 5 DFBDRO CC(C)[C@@H](O)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000165364767 145229033 /nfs/dbraw/zinc/22/90/33/145229033.db2.gz HYJBXSBBLOZOGI-RDJZCZTQSA-N 1 0 306.406 2.913 20 5 DFBDRO Cc1cc(NCCC[S@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167378922 145240538 /nfs/dbraw/zinc/24/05/38/145240538.db2.gz GVLTYESSJICNBC-OAQYLSRUSA-N 1 0 307.375 2.632 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000173051759 145331510 /nfs/dbraw/zinc/33/15/10/145331510.db2.gz XYRIVHUKVMTBJE-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000173054891 145331753 /nfs/dbraw/zinc/33/17/53/145331753.db2.gz LQUCXDSEWKBTDU-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c1 ZINC000174822740 145391979 /nfs/dbraw/zinc/39/19/79/145391979.db2.gz HYTYUQYPGURMMN-HNNXBMFYSA-N 1 0 318.352 2.638 20 5 DFBDRO [NH3+]CC1(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCCC1 ZINC000179165560 145544445 /nfs/dbraw/zinc/54/44/45/145544445.db2.gz IXBHSKKNLLVERF-UHFFFAOYSA-N 1 0 319.386 2.811 20 5 DFBDRO CO[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)C1CC1 ZINC000425419097 296580012 /nfs/dbraw/zinc/58/00/12/296580012.db2.gz MZKNIWRXHSXPNO-QGZVFWFLSA-N 1 0 320.389 2.863 20 5 DFBDRO C[NH2+]C[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000234394484 146017868 /nfs/dbraw/zinc/01/78/68/146017868.db2.gz CTHWUIPNPDYGKJ-QMMMGPOBSA-N 1 0 316.199 2.933 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000237227458 146038994 /nfs/dbraw/zinc/03/89/94/146038994.db2.gz JRHFYUCQIBNGQO-UHFFFAOYSA-N 1 0 314.341 2.980 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000249004820 146182441 /nfs/dbraw/zinc/18/24/41/146182441.db2.gz SFOWWWSBVXPQOM-TZMCWYRMSA-N 1 0 318.377 2.604 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000261698750 146261898 /nfs/dbraw/zinc/26/18/98/146261898.db2.gz JTZWBZLZIKSLHM-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261718292 146265011 /nfs/dbraw/zinc/26/50/11/146265011.db2.gz LSZJIKXASGMBTQ-INIZCTEOSA-N 1 0 319.405 2.567 20 5 DFBDRO [NH3+]C1(c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CCC1 ZINC000261726957 146266112 /nfs/dbraw/zinc/26/61/12/146266112.db2.gz JYNQBQVOZWOGBG-UHFFFAOYSA-N 1 0 308.725 2.560 20 5 DFBDRO [NH3+]CCN(CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000261864520 146291487 /nfs/dbraw/zinc/29/14/87/146291487.db2.gz ZSRWKWYBBPQPFD-UHFFFAOYSA-N 1 0 305.403 2.660 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000261952379 146308313 /nfs/dbraw/zinc/30/83/13/146308313.db2.gz WNRPSLSXLYDWPA-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000262031611 146324969 /nfs/dbraw/zinc/32/49/69/146324969.db2.gz YYEQUYSOFOBMMR-NWDGAFQWSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH2+]CC23CCCCC3)cc1 ZINC000262305645 146350041 /nfs/dbraw/zinc/35/00/41/146350041.db2.gz PCLVTSCRLCPNDZ-UHFFFAOYSA-N 1 0 303.406 2.745 20 5 DFBDRO C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262435329 146360191 /nfs/dbraw/zinc/36/01/91/146360191.db2.gz GHXSQKZVAWLDSX-SMDDNHRTSA-N 1 0 305.378 2.550 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262458566 146360892 /nfs/dbraw/zinc/36/08/92/146360892.db2.gz IJECNUMTHOEFRT-OAHLLOKOSA-N 1 0 305.378 2.509 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000354420319 147029562 /nfs/dbraw/zinc/02/95/62/147029562.db2.gz FBXVPASGNZMXIY-ZIAGYGMSSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000354420313 147030346 /nfs/dbraw/zinc/03/03/46/147030346.db2.gz FBXVPASGNZMXIY-KGLIPLIRSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000354435473 147034658 /nfs/dbraw/zinc/03/46/58/147034658.db2.gz PGTLWKDGHKXPNX-UONOGXRCSA-N 1 0 319.405 2.848 20 5 DFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000355588423 147374721 /nfs/dbraw/zinc/37/47/21/147374721.db2.gz WEDNENMASKBJBI-LBPRGKRZSA-N 1 0 324.377 2.623 20 5 DFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000355598739 147378576 /nfs/dbraw/zinc/37/85/76/147378576.db2.gz AZTOBIUGKVNNTL-LBPRGKRZSA-N 1 0 322.361 2.521 20 5 DFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1[NH+]1CCCC1 ZINC000356115585 147567850 /nfs/dbraw/zinc/56/78/50/147567850.db2.gz KMRRZEFTBUGNGD-CVEARBPZSA-N 1 0 321.446 2.919 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000357585604 148048743 /nfs/dbraw/zinc/04/87/43/148048743.db2.gz QQJCTVDSHRPREG-NSHDSACASA-N 1 0 323.780 2.523 20 5 DFBDRO Cc1ccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2F)c(C)n1 ZINC000357656873 148073991 /nfs/dbraw/zinc/07/39/91/148073991.db2.gz NIOUHLJUBNJDNP-UHFFFAOYSA-N 1 0 303.293 2.927 20 5 DFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000357918177 148175605 /nfs/dbraw/zinc/17/56/05/148175605.db2.gz BQPOPIYSWNWXGD-ZIAGYGMSSA-N 1 0 324.425 2.707 20 5 DFBDRO CCOCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000343934730 286029077 /nfs/dbraw/zinc/02/90/77/286029077.db2.gz OGAJTSPTQXVHOV-KBPBESRZSA-N 1 0 324.425 2.927 20 5 DFBDRO CC[C@@H]1C[C@@H](C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCO1 ZINC000425983945 296607455 /nfs/dbraw/zinc/60/74/55/296607455.db2.gz XSLXPTKXDPUNCD-DZGCQCFKSA-N 1 0 322.409 2.633 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000493086855 299712626 /nfs/dbraw/zinc/71/26/26/299712626.db2.gz FMMWIIUCMXLVDQ-YYRKOSNBSA-N 1 0 317.389 2.551 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000350656783 286070247 /nfs/dbraw/zinc/07/02/47/286070247.db2.gz LJQMQZUWPXCYMA-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO Cc1c(C(=O)NCC(C)(C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000360589586 148884200 /nfs/dbraw/zinc/88/42/00/148884200.db2.gz UCDKTUGZPACYNJ-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000350668344 286071864 /nfs/dbraw/zinc/07/18/64/286071864.db2.gz HRVKVCMSZKNYQN-UHFFFAOYSA-N 1 0 306.410 2.919 20 5 DFBDRO Cc1ccccc1C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000350685539 286074052 /nfs/dbraw/zinc/07/40/52/286074052.db2.gz QDRCGNYOZNMPSD-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)C1CC1 ZINC000361070283 149021958 /nfs/dbraw/zinc/02/19/58/149021958.db2.gz VAMWHZYQTPJHIN-RDJZCZTQSA-N 1 0 315.417 2.742 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])nc2)Cc2ccccc2C1 ZINC000361109365 149029591 /nfs/dbraw/zinc/02/95/91/149029591.db2.gz NCXWAEDNOLCAEC-UHFFFAOYSA-N 1 0 312.373 2.501 20 5 DFBDRO Cc1c(C[NH2+]Cc2cn(C)nc2C(F)F)cccc1[N+](=O)[O-] ZINC000361135056 149036842 /nfs/dbraw/zinc/03/68/42/149036842.db2.gz DIQMDVVSCKNTOT-UHFFFAOYSA-N 1 0 310.304 2.864 20 5 DFBDRO Cc1ccncc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000361412934 149108583 /nfs/dbraw/zinc/10/85/83/149108583.db2.gz NYBRTRUQBXXMGO-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000361437947 149116303 /nfs/dbraw/zinc/11/63/03/149116303.db2.gz RUDALKJVNPXYFT-UKRRQHHQSA-N 1 0 320.389 2.926 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](CC(N)=O)c1ccccc1 ZINC000361471723 149124004 /nfs/dbraw/zinc/12/40/04/149124004.db2.gz UACYLMGUJBTLKZ-MRXNPFEDSA-N 1 0 313.357 2.643 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1C)CC1CCC1 ZINC000361482950 149127850 /nfs/dbraw/zinc/12/78/50/149127850.db2.gz ZFPDRZSTMFBISE-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1csc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000361734228 149203601 /nfs/dbraw/zinc/20/36/01/149203601.db2.gz DWQKYBQUBUFFKC-MRXNPFEDSA-N 1 0 320.414 2.987 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC2(CCC[N@@H+]2C)CC1 ZINC000371695123 150082321 /nfs/dbraw/zinc/08/23/21/150082321.db2.gz WBAXVLWFDZPEEI-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000372810252 150187590 /nfs/dbraw/zinc/18/75/90/150187590.db2.gz OURQXHUIGIBEHV-CZUORRHYSA-N 1 0 306.362 2.651 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351633060 286176451 /nfs/dbraw/zinc/17/64/51/286176451.db2.gz YEXAULSKWFFBBS-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO C[NH+](C)CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000351647724 286181945 /nfs/dbraw/zinc/18/19/45/286181945.db2.gz DIMBVKLXQLXBOC-UHFFFAOYSA-N 1 0 324.356 2.539 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@H]1C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000374292730 150337551 /nfs/dbraw/zinc/33/75/51/150337551.db2.gz OGTOKIAHJVZWNI-AWEZNQCLSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000351722485 286202893 /nfs/dbraw/zinc/20/28/93/286202893.db2.gz NUIGZXCSAIKJKS-MRXNPFEDSA-N 1 0 300.362 2.633 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000354983510 286226479 /nfs/dbraw/zinc/22/64/79/286226479.db2.gz OALIYGQJMICEIE-IVMMDQJWSA-N 1 0 308.378 2.748 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000373767840 286249489 /nfs/dbraw/zinc/24/94/89/286249489.db2.gz CKBHSJSXEMRPIJ-CABCVRRESA-N 1 0 306.362 2.747 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427862209 296670635 /nfs/dbraw/zinc/67/06/35/296670635.db2.gz VLFOGKYEJTVRNF-DZGCQCFKSA-N 1 0 314.389 2.717 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359568 286353022 /nfs/dbraw/zinc/35/30/22/286353022.db2.gz HXOQLPARODIWQU-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CCN(CCC[NH+](C)C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360037 286353034 /nfs/dbraw/zinc/35/30/34/286353034.db2.gz LBRGGJLGUUDIHC-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000178781460 292288899 /nfs/dbraw/zinc/28/88/99/292288899.db2.gz ASBVDWGSGIXGQI-HIFRSBDPSA-N 1 0 316.405 2.751 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)F ZINC000429456423 296745784 /nfs/dbraw/zinc/74/57/84/296745784.db2.gz TYEHXFUDOPMEIG-CMPLNLGQSA-N 1 0 302.321 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(n2cncn2)CC1 ZINC000182723069 158006857 /nfs/dbraw/zinc/00/68/57/158006857.db2.gz NFXHIWWECSPCJP-CYBMUJFWSA-N 1 0 315.377 2.893 20 5 DFBDRO COc1cccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000185489865 158060865 /nfs/dbraw/zinc/06/08/65/158060865.db2.gz GOVGEMHLOFJHGP-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO COc1cccc(N(C)CC[C@H]2CCCC[N@@H+]2C)c1[N+](=O)[O-] ZINC000185489844 158060902 /nfs/dbraw/zinc/06/09/02/158060902.db2.gz GOVGEMHLOFJHGP-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)CC[N@H+](C)C1CC1 ZINC000186765464 158071967 /nfs/dbraw/zinc/07/19/67/158071967.db2.gz DDRYIHNRYMHOIQ-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000246353530 158086888 /nfs/dbraw/zinc/08/68/88/158086888.db2.gz WKYWHUZRTMQWJF-HOTGVXAUSA-N 1 0 316.361 2.579 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000246946742 158106529 /nfs/dbraw/zinc/10/65/29/158106529.db2.gz CBYILABZBZOTQU-CZUORRHYSA-N 1 0 300.362 2.874 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1ccnc1 ZINC000246946763 158107125 /nfs/dbraw/zinc/10/71/25/158107125.db2.gz CBYILABZBZOTQU-XJKSGUPXSA-N 1 0 300.362 2.874 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000248409863 158173508 /nfs/dbraw/zinc/17/35/08/158173508.db2.gz GKCSNLSTQOMNRW-HOTGVXAUSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248456340 158177934 /nfs/dbraw/zinc/17/79/34/158177934.db2.gz LNVKBRLMHDRICD-IUODEOHRSA-N 1 0 320.389 2.597 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252566859 158205852 /nfs/dbraw/zinc/20/58/52/158205852.db2.gz ZWRAAFGVBNHGDW-RYUDHWBXSA-N 1 0 311.769 2.523 20 5 DFBDRO COC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000265830613 158207935 /nfs/dbraw/zinc/20/79/35/158207935.db2.gz UIPULGYGBUOFAK-ZDUSSCGKSA-N 1 0 308.378 2.850 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000430923616 296812482 /nfs/dbraw/zinc/81/24/82/296812482.db2.gz FGTLNTPWOSGKCI-BETUJISGSA-N 1 0 307.394 2.564 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]CC12CCCCC2 ZINC000431067455 296819890 /nfs/dbraw/zinc/81/98/90/296819890.db2.gz FAQDXXLGEHEMEE-UHFFFAOYSA-N 1 0 307.369 2.842 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CC23CCOCC3)cc1[N+](=O)[O-] ZINC000431650010 296844382 /nfs/dbraw/zinc/84/43/82/296844382.db2.gz RWGLMPRWIKWVPI-CYBMUJFWSA-N 1 0 306.362 2.510 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)[C@@H]1C ZINC000128832561 195996050 /nfs/dbraw/zinc/99/60/50/195996050.db2.gz ZCYPEPUDWTXCCY-GHMZBOCLSA-N 1 0 309.341 2.793 20 5 DFBDRO Cc1n[nH]cc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130745460 196106763 /nfs/dbraw/zinc/10/67/63/196106763.db2.gz KYIABNOFAMXKHK-UHFFFAOYSA-N 1 0 316.361 2.670 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133042574 196307167 /nfs/dbraw/zinc/30/71/67/196307167.db2.gz CWJQZGSYNGHWEP-ZFWWWQNUSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@@]1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000134482713 196395799 /nfs/dbraw/zinc/39/57/99/196395799.db2.gz MCTDDXNJCXFFKP-KRWDZBQOSA-N 1 0 319.405 2.566 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1CCn2ccnc21 ZINC000296609697 226046527 /nfs/dbraw/zinc/04/65/27/226046527.db2.gz YKFAHFXJKTXMAG-LBPRGKRZSA-N 1 0 306.753 2.722 20 5 DFBDRO Cc1nc(NC[C@H](C2CCCCC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296671046 226107635 /nfs/dbraw/zinc/10/76/35/226107635.db2.gz ZLCAXDDHMUQKRS-CQSZACIVSA-N 1 0 307.398 2.616 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000296703479 226140853 /nfs/dbraw/zinc/14/08/53/226140853.db2.gz IIBWZZZJZUYUJC-CFVMTHIKSA-N 1 0 319.405 2.988 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000291019237 222076725 /nfs/dbraw/zinc/07/67/25/222076725.db2.gz GIZDLNLDKZVQAK-MRXNPFEDSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327759 222316238 /nfs/dbraw/zinc/31/62/38/222316238.db2.gz VJGBOQZDDXKRRN-YPMHNXCESA-N 1 0 323.393 2.587 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000298182339 228398849 /nfs/dbraw/zinc/39/88/49/228398849.db2.gz DSTFWVPKFQEMBH-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299307807 229041169 /nfs/dbraw/zinc/04/11/69/229041169.db2.gz AWYCXXJLTUSRGS-SECBINFHSA-N 1 0 314.773 2.710 20 5 DFBDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000299326484 229051761 /nfs/dbraw/zinc/05/17/61/229051761.db2.gz AISLJLQIMVLMMV-SECBINFHSA-N 1 0 314.773 2.710 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)CC1 ZINC000068837862 425922717 /nfs/dbraw/zinc/92/27/17/425922717.db2.gz MCMHUYVXQPKBML-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007406524 425643638 /nfs/dbraw/zinc/64/36/38/425643638.db2.gz SUQGXBJPTJVOCO-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000008130575 425661085 /nfs/dbraw/zinc/66/10/85/425661085.db2.gz JPBFDGOGWGJWDW-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000192611588 268042990 /nfs/dbraw/zinc/04/29/90/268042990.db2.gz PTIOCRVJECHFHM-AWEZNQCLSA-N 1 0 321.425 2.574 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245454758 268164341 /nfs/dbraw/zinc/16/43/41/268164341.db2.gz SERXLNWZNRTMSB-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[C@H]([NH2+]C[C@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269015516 268187203 /nfs/dbraw/zinc/18/72/03/268187203.db2.gz YFGRFTWHOLQPFJ-LSDHHAIUSA-N 1 0 310.419 2.894 20 5 DFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000270961042 268241088 /nfs/dbraw/zinc/24/10/88/268241088.db2.gz HAOAJRSUAICYTO-VAFIWLDWSA-N 1 0 318.295 2.899 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(CCC[NH+](C)C)CC1 ZINC000270979028 268243481 /nfs/dbraw/zinc/24/34/81/268243481.db2.gz RQYNYFBBXGFJMD-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1ccnn1C ZINC000278858172 268267955 /nfs/dbraw/zinc/26/79/55/268267955.db2.gz WCQWTEFLLQEBNB-JTQLQIEISA-N 1 0 308.769 2.875 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278880311 268268309 /nfs/dbraw/zinc/26/83/09/268268309.db2.gz TUFJUSCOHWGNMT-GXFFZTMASA-N 1 0 318.295 2.903 20 5 DFBDRO CC(=O)c1cc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000286564294 268274491 /nfs/dbraw/zinc/27/44/91/268274491.db2.gz FMHSFKANKAAVLH-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO CCOc1cccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c1[N+](=O)[O-] ZINC000317142462 268345407 /nfs/dbraw/zinc/34/54/07/268345407.db2.gz HPYQKGCXIMBYSO-GFCCVEGCSA-N 1 0 305.378 2.890 20 5 DFBDRO C[NH+](C)C1(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000317791433 268345973 /nfs/dbraw/zinc/34/59/73/268345973.db2.gz ZQFWYQZOLWHTGK-UHFFFAOYSA-N 1 0 303.366 2.757 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000319908959 268347265 /nfs/dbraw/zinc/34/72/65/268347265.db2.gz MGJTWTPTMRJESF-SECBINFHSA-N 1 0 318.299 2.905 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963481 425880878 /nfs/dbraw/zinc/88/08/78/425880878.db2.gz YHEDMKZBEZDVKR-SNVBAGLBSA-N 1 0 313.785 2.643 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000124828778 425939437 /nfs/dbraw/zinc/93/94/37/425939437.db2.gz IHRJJQDIIZQJBU-ZDUSSCGKSA-N 1 0 313.357 2.675 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107631820 425997914 /nfs/dbraw/zinc/99/79/14/425997914.db2.gz QDKGOHVDYNCYJF-INIZCTEOSA-N 1 0 317.389 2.685 20 5 DFBDRO COCCC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159194081 425956867 /nfs/dbraw/zinc/95/68/67/425956867.db2.gz XHUOKXGOHYDUKR-CQSZACIVSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125179385 425957419 /nfs/dbraw/zinc/95/74/19/425957419.db2.gz DZMMBPBCNIMVDC-VXGBXAGGSA-N 1 0 305.378 2.704 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000111253526 426041377 /nfs/dbraw/zinc/04/13/77/426041377.db2.gz KTFWSJHAIPYXHN-LLVKDONJSA-N 1 0 309.366 2.520 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000161939795 426045943 /nfs/dbraw/zinc/04/59/43/426045943.db2.gz LLKFSSCBWKRTCZ-CYBMUJFWSA-N 1 0 313.785 2.694 20 5 DFBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000162508200 426067093 /nfs/dbraw/zinc/06/70/93/426067093.db2.gz IKIZPLQZFBFGHU-CABCVRRESA-N 1 0 307.394 2.561 20 5 DFBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1c([N+](=O)[O-])ncn1C ZINC000071954794 426006687 /nfs/dbraw/zinc/00/66/87/426006687.db2.gz YPSXFMAKXOTDBD-UHFFFAOYSA-N 1 0 317.393 2.781 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076002430 426093703 /nfs/dbraw/zinc/09/37/03/426093703.db2.gz UMNYYRLMUNILCU-INIZCTEOSA-N 1 0 305.422 2.801 20 5 DFBDRO CC1(C)CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000076014685 426094145 /nfs/dbraw/zinc/09/41/45/426094145.db2.gz SQTRKRVDMMXKIA-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@H](C)C1 ZINC000077320964 426127950 /nfs/dbraw/zinc/12/79/50/426127950.db2.gz DNROTCUYPHWGDT-CHWSQXEVSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000077422532 426132824 /nfs/dbraw/zinc/13/28/24/426132824.db2.gz OHPJDOXJYGYYDB-QWRGUYRKSA-N 1 0 321.402 2.825 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)cc1[N+](=O)[O-] ZINC000168294883 426134335 /nfs/dbraw/zinc/13/43/35/426134335.db2.gz QBDGHSMPCBDUHR-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000170709408 426145947 /nfs/dbraw/zinc/14/59/47/426145947.db2.gz IPTNIYHHBDRNCB-LLVKDONJSA-N 1 0 320.393 2.622 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCCO[C@@H](C)C1 ZINC000170917183 426159324 /nfs/dbraw/zinc/15/93/24/426159324.db2.gz WBHKHTWOTFPWOI-ZDUSSCGKSA-N 1 0 308.378 2.993 20 5 DFBDRO CC(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000078251232 426162043 /nfs/dbraw/zinc/16/20/43/426162043.db2.gz IXLVNRZLPQWYHL-CQSZACIVSA-N 1 0 308.382 2.693 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133469032 426179507 /nfs/dbraw/zinc/17/95/07/426179507.db2.gz SJBYASBXQZEOJS-LSDHHAIUSA-N 1 0 300.362 2.717 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)n1 ZINC000133468641 426179765 /nfs/dbraw/zinc/17/97/65/426179765.db2.gz SJBYASBXQZEOJS-GJZGRUSLSA-N 1 0 300.362 2.717 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116126765 426179981 /nfs/dbraw/zinc/17/99/81/426179981.db2.gz BMHXJUNMRCXVDW-AWEZNQCLSA-N 1 0 307.394 2.691 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000171269301 426180289 /nfs/dbraw/zinc/18/02/89/426180289.db2.gz FHBRXXSIFHDCCZ-MJBXVCDLSA-N 1 0 319.405 2.515 20 5 DFBDRO Cc1nn(C)c(NC[C@@H](C2CCCCC2)[NH+](C)C)c1[N+](=O)[O-] ZINC000078727477 426182208 /nfs/dbraw/zinc/18/22/08/426182208.db2.gz RJDKIFVVNOPHGI-ZDUSSCGKSA-N 1 0 309.414 2.559 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000135582187 426223743 /nfs/dbraw/zinc/22/37/43/426223743.db2.gz PPRXRCREZJKVSN-HNNXBMFYSA-N 1 0 300.362 2.838 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000173080993 426234415 /nfs/dbraw/zinc/23/44/15/426234415.db2.gz ZUAJKFUMRWZSBX-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175018790 426274662 /nfs/dbraw/zinc/27/46/62/426274662.db2.gz MBEVIESOCJBIFB-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000175018778 426274671 /nfs/dbraw/zinc/27/46/71/426274671.db2.gz MBEVIESOCJBIFB-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000142083191 426257665 /nfs/dbraw/zinc/25/76/65/426257665.db2.gz KOJKCZIGIMXGBH-UTUOFQBUSA-N 1 0 323.393 2.955 20 5 DFBDRO CC[C@H](C)C[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117341021 426211632 /nfs/dbraw/zinc/21/16/32/426211632.db2.gz DMECEFCOSUIJFQ-LBPRGKRZSA-N 1 0 321.377 2.871 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CCC2CC2)cccc1[N+](=O)[O-] ZINC000135303687 426213199 /nfs/dbraw/zinc/21/31/99/426213199.db2.gz ADWUREDIWUDKCE-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)cs1 ZINC000151385954 426292273 /nfs/dbraw/zinc/29/22/73/426292273.db2.gz PAIRYPNKCFXJFE-DGCLKSJQSA-N 1 0 314.432 2.801 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)cc1[N+](=O)[O-] ZINC000151430289 426295369 /nfs/dbraw/zinc/29/53/69/426295369.db2.gz QSSIMUAKAUKXHQ-DZGCQCFKSA-N 1 0 310.394 2.587 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1 ZINC000089593757 426297833 /nfs/dbraw/zinc/29/78/33/426297833.db2.gz SXXLJMOHYUZXSI-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000151615686 426303851 /nfs/dbraw/zinc/30/38/51/426303851.db2.gz CMZAOAWIHNSBIY-DOMZBBRYSA-N 1 0 318.377 2.543 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000151888542 426317315 /nfs/dbraw/zinc/31/73/15/426317315.db2.gz RFHMSDAWJFCGKK-UHFFFAOYSA-N 1 0 313.785 2.660 20 5 DFBDRO CC[C@H](C)[C@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090526578 426327093 /nfs/dbraw/zinc/32/70/93/426327093.db2.gz KERRFTIDGWHJDI-STQMWFEESA-N 1 0 307.394 2.656 20 5 DFBDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554035 426328164 /nfs/dbraw/zinc/32/81/64/426328164.db2.gz RCSUJAQIPSIDQW-LSDHHAIUSA-N 1 0 321.421 2.951 20 5 DFBDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000090554032 426328256 /nfs/dbraw/zinc/32/82/56/426328256.db2.gz RCSUJAQIPSIDQW-CABCVRRESA-N 1 0 321.421 2.951 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)c1cccc([N+](=O)[O-])c1 ZINC000090801603 426332483 /nfs/dbraw/zinc/33/24/83/426332483.db2.gz APJNATHAOXKTQA-DZGCQCFKSA-N 1 0 312.373 2.919 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[C@@](O)(C(F)(F)F)C1 ZINC000119298097 426277303 /nfs/dbraw/zinc/27/73/03/426277303.db2.gz HXXXUYRCFUWUER-NSHDSACASA-N 1 0 324.686 2.747 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119325575 426279426 /nfs/dbraw/zinc/27/94/26/426279426.db2.gz JNDLXLJNXNKYKT-KBPBESRZSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000152547670 426345220 /nfs/dbraw/zinc/34/52/20/426345220.db2.gz FWAKZYXVKBLGLM-MRXNPFEDSA-N 1 0 313.357 2.952 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000152538754 426345800 /nfs/dbraw/zinc/34/58/00/426345800.db2.gz HOZHWDLWIXREHG-ZDUSSCGKSA-N 1 0 317.389 2.684 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000176212321 426361342 /nfs/dbraw/zinc/36/13/42/426361342.db2.gz HJQIZJQTVKFDFN-MRXNPFEDSA-N 1 0 314.389 2.889 20 5 DFBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246387 426363262 /nfs/dbraw/zinc/36/32/62/426363262.db2.gz PZBCVCNUPJMACR-DZGCQCFKSA-N 1 0 300.362 2.669 20 5 DFBDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176261765 426364091 /nfs/dbraw/zinc/36/40/91/426364091.db2.gz LCYHOYQBELQKKV-NSHDSACASA-N 1 0 323.422 2.812 20 5 DFBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249914 426364229 /nfs/dbraw/zinc/36/42/29/426364229.db2.gz MSCNMZOUWRECNT-GXTWGEPZSA-N 1 0 318.352 2.808 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249896 426364663 /nfs/dbraw/zinc/36/46/63/426364663.db2.gz MSCNMZOUWRECNT-TZMCWYRMSA-N 1 0 318.352 2.808 20 5 DFBDRO CC(C)COC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153286272 426378972 /nfs/dbraw/zinc/37/89/72/426378972.db2.gz XUOZVNKJVZBZDW-KRWDZBQOSA-N 1 0 322.405 2.593 20 5 DFBDRO COCCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000123010758 426409604 /nfs/dbraw/zinc/40/96/04/426409604.db2.gz GQXKYMKCXSQXAB-UHFFFAOYSA-N 1 0 317.183 2.826 20 5 DFBDRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)ccc1[N+](=O)[O-] ZINC000176944402 426427944 /nfs/dbraw/zinc/42/79/44/426427944.db2.gz OVNZFFBZWCAEJW-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO CS[C@@H](CO)[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154189245 426429493 /nfs/dbraw/zinc/42/94/93/426429493.db2.gz BJSWUZVMICNWPF-PJODQICGSA-N 1 0 324.446 2.618 20 5 DFBDRO CC(C)=CCC[C@H](C)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123433570 426433308 /nfs/dbraw/zinc/43/33/08/426433308.db2.gz FMGXIJCGGUATTB-RRQGHBQHSA-N 1 0 322.405 2.714 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CCC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC000123467164 426436076 /nfs/dbraw/zinc/43/60/76/426436076.db2.gz WLGZQUBTDZQLIP-UHFFFAOYSA-N 1 0 306.362 2.858 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)c1 ZINC000154430243 426440484 /nfs/dbraw/zinc/44/04/84/426440484.db2.gz YCDXUYRBGWRNTK-JYJNAYRXSA-N 1 0 322.430 2.988 20 5 DFBDRO Cc1cc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000341059787 269036611 /nfs/dbraw/zinc/03/66/11/269036611.db2.gz MLDIQMIMQOFFIU-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341061850 269036779 /nfs/dbraw/zinc/03/67/79/269036779.db2.gz OYOKSWARCPDNSJ-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000341068153 269038047 /nfs/dbraw/zinc/03/80/47/269038047.db2.gz YFYRTKPFSAQVFK-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341075967 269039547 /nfs/dbraw/zinc/03/95/47/269039547.db2.gz ZFRXGZGIMVNIKE-STQMWFEESA-N 1 0 305.378 2.588 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000177245516 426459355 /nfs/dbraw/zinc/45/93/55/426459355.db2.gz AIDJVTRODJOKBM-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000097473214 426467787 /nfs/dbraw/zinc/46/77/87/426467787.db2.gz XMBWNABQLBLWOJ-OAHLLOKOSA-N 1 0 307.394 2.672 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCSC1 ZINC000280159873 426509266 /nfs/dbraw/zinc/50/92/66/426509266.db2.gz SFWSOMSRFUKXJN-NWDGAFQWSA-N 1 0 323.418 2.655 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](c1cccs1)[NH+](C)C ZINC000288131930 426510165 /nfs/dbraw/zinc/51/01/65/426510165.db2.gz MNMHCGQSBIQJQE-NSHDSACASA-N 1 0 323.422 2.896 20 5 DFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000186363407 426512119 /nfs/dbraw/zinc/51/21/19/426512119.db2.gz OQUPDCXOAAFDSZ-LBPRGKRZSA-N 1 0 321.377 2.551 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+](C)C ZINC000195331183 426518228 /nfs/dbraw/zinc/51/82/28/426518228.db2.gz CAQUDLGPRCGEDG-CQSZACIVSA-N 1 0 317.393 2.834 20 5 DFBDRO C[C@H](NC(=O)C1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000195364762 426519973 /nfs/dbraw/zinc/51/99/73/426519973.db2.gz GCAPGCFVBZFTQQ-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000177814307 426525409 /nfs/dbraw/zinc/52/54/09/426525409.db2.gz UAYHDVRPHDCDPZ-CABCVRRESA-N 1 0 317.389 2.602 20 5 DFBDRO COc1c(O)cccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000272446315 426528234 /nfs/dbraw/zinc/52/82/34/426528234.db2.gz PCORGDMTHKXFKU-UHFFFAOYSA-N 1 0 302.330 2.641 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000177849090 426529661 /nfs/dbraw/zinc/52/96/61/426529661.db2.gz JECIJRYJIBUNSO-ZDUSSCGKSA-N 1 0 307.394 2.926 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000177855488 426530990 /nfs/dbraw/zinc/53/09/90/426530990.db2.gz SNXPWHQNGCRHAJ-LBPRGKRZSA-N 1 0 323.393 2.910 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177874932 426532563 /nfs/dbraw/zinc/53/25/63/426532563.db2.gz YAJIBZLSRJLNHD-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000280271702 426536384 /nfs/dbraw/zinc/53/63/84/426536384.db2.gz CUMRQLIJNZXWHN-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C1 ZINC000272534451 426550884 /nfs/dbraw/zinc/55/08/84/426550884.db2.gz BLDBADNZQHSXAK-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177561697 426495702 /nfs/dbraw/zinc/49/57/02/426495702.db2.gz NAJBSTUNXLLTHB-ZIAGYGMSSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000264575830 426574306 /nfs/dbraw/zinc/57/43/06/426574306.db2.gz IMCILVUCSQFHTQ-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c(C)c1 ZINC000280449734 426577073 /nfs/dbraw/zinc/57/70/73/426577073.db2.gz NNNCZZVFQIDSOM-HNNXBMFYSA-N 1 0 314.389 2.898 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264950727 426579703 /nfs/dbraw/zinc/57/97/03/426579703.db2.gz LBKNFKFJOIIASF-STQMWFEESA-N 1 0 312.373 2.816 20 5 DFBDRO CC(C)(CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178162096 426580712 /nfs/dbraw/zinc/58/07/12/426580712.db2.gz GJEPXFKYCBBBSB-HNNXBMFYSA-N 1 0 306.406 2.914 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000178240254 426592472 /nfs/dbraw/zinc/59/24/72/426592472.db2.gz YCCVZFNBVZLYFP-CQSZACIVSA-N 1 0 304.394 2.610 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)c1cccc(O)c1 ZINC000178375403 426618439 /nfs/dbraw/zinc/61/84/39/426618439.db2.gz IHSYOXIWKMRAQH-GFCCVEGCSA-N 1 0 304.350 2.580 20 5 DFBDRO CN(C)c1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000289340703 426631783 /nfs/dbraw/zinc/63/17/83/426631783.db2.gz HVIFSBGWYNXNQM-UHFFFAOYSA-N 1 0 320.418 2.792 20 5 DFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000178528131 426647272 /nfs/dbraw/zinc/64/72/72/426647272.db2.gz RUUUBIOGVJKNNH-CYBMUJFWSA-N 1 0 306.362 2.758 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346173 426648499 /nfs/dbraw/zinc/64/84/99/426648499.db2.gz BPWUXTQTOXJFOY-QWRGUYRKSA-N 1 0 324.356 2.728 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365802 426651331 /nfs/dbraw/zinc/65/13/31/426651331.db2.gz FYUFJZAHXVOSDQ-YGRLFVJLSA-N 1 0 324.356 2.538 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000273401068 426658655 /nfs/dbraw/zinc/65/86/55/426658655.db2.gz GKWWNKPPBLCAJX-KRWDZBQOSA-N 1 0 303.406 2.963 20 5 DFBDRO COCC(C)(C)[NH2+]CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000178599931 426662843 /nfs/dbraw/zinc/66/28/43/426662843.db2.gz FESDNOBAMCJOAY-UHFFFAOYSA-N 1 0 319.361 2.807 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280841947 426667828 /nfs/dbraw/zinc/66/78/28/426667828.db2.gz ASRGCWHTHJSAMZ-TZMCWYRMSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000178653201 426671308 /nfs/dbraw/zinc/67/13/08/426671308.db2.gz BENCSTVEQINNSI-GFCCVEGCSA-N 1 0 313.357 2.587 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178673861 426673269 /nfs/dbraw/zinc/67/32/69/426673269.db2.gz QSIAIYDMHRJMKV-SMDDNHRTSA-N 1 0 307.394 2.939 20 5 DFBDRO COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc([N+](=O)[O-])cc1C)CC2 ZINC000273487665 426673583 /nfs/dbraw/zinc/67/35/83/426673583.db2.gz VYVZHSOTNZOYBO-HNNXBMFYSA-N 1 0 318.373 2.678 20 5 DFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000178690286 426676961 /nfs/dbraw/zinc/67/69/61/426676961.db2.gz QZBZEKAAYJURKI-CHWSQXEVSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686123 426677071 /nfs/dbraw/zinc/67/70/71/426677071.db2.gz RNHKCHODTLQGQP-JSGCOSHPSA-N 1 0 305.378 2.563 20 5 DFBDRO CCC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000280646595 426625388 /nfs/dbraw/zinc/62/53/88/426625388.db2.gz DZJLCEBFJMQSKY-OCCSQVGLSA-N 1 0 319.405 2.964 20 5 DFBDRO CCC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000280646593 426625534 /nfs/dbraw/zinc/62/55/34/426625534.db2.gz DZJLCEBFJMQSKY-JSGCOSHPSA-N 1 0 319.405 2.964 20 5 DFBDRO C[NH2+]C[C@H](C)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000237183967 426690123 /nfs/dbraw/zinc/69/01/23/426690123.db2.gz YOOZVNRIXZIMLB-ZDUSSCGKSA-N 1 0 307.397 2.973 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCCC2)c([N+](=O)[O-])c1 ZINC000238134091 426710282 /nfs/dbraw/zinc/71/02/82/426710282.db2.gz ATKWOVKXMKOBIP-UHFFFAOYSA-N 1 0 323.349 2.678 20 5 DFBDRO C[C@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000273845247 426713763 /nfs/dbraw/zinc/71/37/63/426713763.db2.gz MPAHQHHQUAJFJT-BLLLJJGKSA-N 1 0 317.389 2.646 20 5 DFBDRO CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000290120155 426696583 /nfs/dbraw/zinc/69/65/83/426696583.db2.gz IUGASNUHANYXNM-HNNXBMFYSA-N 1 0 321.377 2.614 20 5 DFBDRO CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000290120168 426696946 /nfs/dbraw/zinc/69/69/46/426696946.db2.gz IUGASNUHANYXNM-OAHLLOKOSA-N 1 0 321.377 2.614 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000290457960 426768735 /nfs/dbraw/zinc/76/87/35/426768735.db2.gz MUPBQACFJPVNLN-UHFFFAOYSA-N 1 0 302.378 2.930 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000281561707 426723935 /nfs/dbraw/zinc/72/39/35/426723935.db2.gz JVRMNTKXNFSKPN-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO CSc1cccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000188125412 426724845 /nfs/dbraw/zinc/72/48/45/426724845.db2.gz UTAHDNDCLGDXPW-JTQLQIEISA-N 1 0 323.418 2.529 20 5 DFBDRO COc1cc(C[N@@H+]2CCC3(C2)CCOCC3)c([N+](=O)[O-])cc1F ZINC000274291149 426736279 /nfs/dbraw/zinc/73/62/79/426736279.db2.gz GQJDTZZYMZDKLS-UHFFFAOYSA-N 1 0 324.352 2.745 20 5 DFBDRO CCCN(CCC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000290322177 426740517 /nfs/dbraw/zinc/74/05/17/426740517.db2.gz DCPWZTDHLFXQAV-UHFFFAOYSA-N 1 0 309.410 2.767 20 5 DFBDRO Cc1ccc(NCC2([NH+]3CCCC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000266946716 426802374 /nfs/dbraw/zinc/80/23/74/426802374.db2.gz CUBGUGYMKLPSJL-UHFFFAOYSA-N 1 0 319.405 2.960 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000188934235 426803928 /nfs/dbraw/zinc/80/39/28/426803928.db2.gz DAXQVNSNRRDDBB-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO Cc1ccnc(NC2CC[NH+](CCOC(C)C)CC2)c1[N+](=O)[O-] ZINC000267014807 426811811 /nfs/dbraw/zinc/81/18/11/426811811.db2.gz HKZVLSDHWRKYBE-UHFFFAOYSA-N 1 0 322.409 2.600 20 5 DFBDRO CC(C)OCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000267033148 426813553 /nfs/dbraw/zinc/81/35/53/426813553.db2.gz KZCDLBSEHNSNQK-UHFFFAOYSA-N 1 0 307.394 2.896 20 5 DFBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000246255166 426814735 /nfs/dbraw/zinc/81/47/35/426814735.db2.gz PXGVGWGUVILAPH-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000179880115 426824165 /nfs/dbraw/zinc/82/41/65/426824165.db2.gz OJFCFDLWHUJYPK-CYBMUJFWSA-N 1 0 308.378 2.768 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1cccc(F)c1 ZINC000267144079 426831356 /nfs/dbraw/zinc/83/13/56/426831356.db2.gz AISQADYMXDBUKS-MEDUHNTESA-N 1 0 304.321 2.946 20 5 DFBDRO CNC(=O)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290787252 426839122 /nfs/dbraw/zinc/83/91/22/426839122.db2.gz CUHJBDRXMKSHQQ-UHFFFAOYSA-N 1 0 320.176 2.517 20 5 DFBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282169877 426844852 /nfs/dbraw/zinc/84/48/52/426844852.db2.gz MEQIDUBICUJCIL-ZIAGYGMSSA-N 1 0 308.378 2.898 20 5 DFBDRO C[N@H+](CCNc1ncccc1[N+](=O)[O-])Cc1ccc(F)cc1 ZINC000267246598 426853137 /nfs/dbraw/zinc/85/31/37/426853137.db2.gz YRENBQWRVHFFPN-UHFFFAOYSA-N 1 0 304.325 2.673 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000282219078 426855396 /nfs/dbraw/zinc/85/53/96/426855396.db2.gz YNBRAVNQFCNIFC-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000180403237 426856197 /nfs/dbraw/zinc/85/61/97/426856197.db2.gz GTTGMAVNRRCCCB-CYBMUJFWSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268128682 426922087 /nfs/dbraw/zinc/92/20/87/426922087.db2.gz BCASTYJQEPFIRE-NSHDSACASA-N 1 0 311.357 2.521 20 5 DFBDRO Cc1sc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295243433 426874823 /nfs/dbraw/zinc/87/48/23/426874823.db2.gz DESHAPRRFPBFLF-SNVBAGLBSA-N 1 0 323.418 2.521 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594117 426883862 /nfs/dbraw/zinc/88/38/62/426883862.db2.gz IPADETSOCKPMBZ-DOMZBBRYSA-N 1 0 314.389 2.919 20 5 DFBDRO C[C@H]1C[C@@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267996292 426890304 /nfs/dbraw/zinc/89/03/04/426890304.db2.gz RBSUGFCIVIHGJD-VHSXEESVSA-N 1 0 323.780 2.603 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000247038860 426892967 /nfs/dbraw/zinc/89/29/67/426892967.db2.gz UZTWEKDDWFNOAK-XJKSGUPXSA-N 1 0 322.405 2.975 20 5 DFBDRO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282381684 426896005 /nfs/dbraw/zinc/89/60/05/426896005.db2.gz GAOGMTKKEPRBTO-CYBMUJFWSA-N 1 0 319.405 2.516 20 5 DFBDRO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000275721198 426905863 /nfs/dbraw/zinc/90/58/63/426905863.db2.gz OJOKVRYVAHDAKJ-KRWDZBQOSA-N 1 0 317.389 2.570 20 5 DFBDRO CN(CC[NH+](C)C)Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291665728 426946794 /nfs/dbraw/zinc/94/67/94/426946794.db2.gz VUFZXOXQNMOTCH-UHFFFAOYSA-N 1 0 306.193 2.895 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000181785201 426979510 /nfs/dbraw/zinc/97/95/10/426979510.db2.gz YZFPZPBTSFTTBF-GFCCVEGCSA-N 1 0 314.345 2.669 20 5 DFBDRO C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000248184644 426986471 /nfs/dbraw/zinc/98/64/71/426986471.db2.gz XBHDJOHZZVFPGF-DOTOQJQBSA-N 1 0 303.406 2.553 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1 ZINC000276152265 426995131 /nfs/dbraw/zinc/99/51/31/426995131.db2.gz CSKISCNMXWSCJY-BUHFOSPRSA-N 1 0 319.405 2.798 20 5 DFBDRO Cc1cc(N[C@@H](C)c2ncn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275881492 426940266 /nfs/dbraw/zinc/94/02/66/426940266.db2.gz WRCSEXJXALMYRW-JTQLQIEISA-N 1 0 312.333 2.753 20 5 DFBDRO CCCC[N@H+](CCOC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283363990 427002878 /nfs/dbraw/zinc/00/28/78/427002878.db2.gz RUBSZXPIXHKTHY-UHFFFAOYSA-N 1 0 323.393 2.672 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248468762 427005477 /nfs/dbraw/zinc/00/54/77/427005477.db2.gz UHVNUVGRAIAWMH-LSDHHAIUSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000248563470 427012284 /nfs/dbraw/zinc/01/22/84/427012284.db2.gz BHGDBQCSXVAENF-HUUCEWRRSA-N 1 0 308.403 2.610 20 5 DFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000182147691 427019991 /nfs/dbraw/zinc/01/99/91/427019991.db2.gz ZPWUVFMSKLLQFF-OAHLLOKOSA-N 1 0 322.405 2.988 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cccc1[N+](=O)[O-] ZINC000283488243 427022795 /nfs/dbraw/zinc/02/27/95/427022795.db2.gz XRXDFCTVGMZKJQ-SWLSCSKDSA-N 1 0 317.389 2.755 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268464982 427026791 /nfs/dbraw/zinc/02/67/91/427026791.db2.gz LKBCNOMWZOOQDD-WCQYABFASA-N 1 0 315.377 2.962 20 5 DFBDRO C[C@H](NCc1cn(C(C)(C)C)nn1)c1ccc([N+](=O)[O-])cc1 ZINC000296007868 427044088 /nfs/dbraw/zinc/04/40/88/427044088.db2.gz LJBUKNSKGWNHDA-NSHDSACASA-N 1 0 303.366 2.792 20 5 DFBDRO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000296026148 427048431 /nfs/dbraw/zinc/04/84/31/427048431.db2.gz MWEXLYRYECQUPZ-JTQLQIEISA-N 1 0 310.304 2.907 20 5 DFBDRO CCn1cc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000292045377 427069279 /nfs/dbraw/zinc/06/92/79/427069279.db2.gz AYFDQFBQNMTLOP-UHFFFAOYSA-N 1 0 302.378 2.879 20 5 DFBDRO CO[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296090853 427072405 /nfs/dbraw/zinc/07/24/05/427072405.db2.gz QOUAPIDTKITXQS-OAHLLOKOSA-N 1 0 308.378 2.721 20 5 DFBDRO COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000276458060 427072542 /nfs/dbraw/zinc/07/25/42/427072542.db2.gz QHBBFLLGGRWQDX-YVLXSGLVSA-N 1 0 322.336 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000337999304 427085192 /nfs/dbraw/zinc/08/51/92/427085192.db2.gz SVILNUYVYUNGSR-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000296145009 427088512 /nfs/dbraw/zinc/08/85/12/427088512.db2.gz JGOXXCOOWWLNRJ-LBPRGKRZSA-N 1 0 306.366 2.543 20 5 DFBDRO Cc1ccoc1C[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000292124839 427100504 /nfs/dbraw/zinc/10/05/04/427100504.db2.gz HXPCXMPGDTUIJJ-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249520773 427121691 /nfs/dbraw/zinc/12/16/91/427121691.db2.gz MNHJYJRFWDLVFG-ZIAGYGMSSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000249522545 427123360 /nfs/dbraw/zinc/12/33/60/427123360.db2.gz OPMHTRWOYSAUJZ-TUVASFSCSA-N 1 0 322.405 2.749 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860472 427134277 /nfs/dbraw/zinc/13/42/77/427134277.db2.gz RIYHCKXKGDMGOO-GJZGRUSLSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c([N+](=O)[O-])c1 ZINC000268860479 427134969 /nfs/dbraw/zinc/13/49/69/427134969.db2.gz RIYHCKXKGDMGOO-LSDHHAIUSA-N 1 0 317.389 2.718 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 ZINC000284139340 427142580 /nfs/dbraw/zinc/14/25/80/427142580.db2.gz OSVWTXVWZCQVNV-CYBMUJFWSA-N 1 0 323.349 2.939 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc([N+](=O)[O-])c4cnccc43)C2)C1 ZINC000292251945 427147613 /nfs/dbraw/zinc/14/76/13/427147613.db2.gz KGXSGPUPZRMSGI-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO COc1ccc(OCC[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])c1 ZINC000173804461 271116454 /nfs/dbraw/zinc/11/64/54/271116454.db2.gz ZNNYGFNHVJZWSD-BETUJISGSA-N 1 0 306.362 2.570 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(F)cc3)CCCC2)c1 ZINC000174846187 271138985 /nfs/dbraw/zinc/13/89/85/271138985.db2.gz LAFLXJDWCCBREU-UHFFFAOYSA-N 1 0 318.352 2.990 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000189861917 271206745 /nfs/dbraw/zinc/20/67/45/271206745.db2.gz VJAPYVYLFMRSDT-GXSJLCMTSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000189861898 271206885 /nfs/dbraw/zinc/20/68/85/271206885.db2.gz VJAPYVYLFMRSDT-MWLCHTKSSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000227685937 271236581 /nfs/dbraw/zinc/23/65/81/271236581.db2.gz WMZDWXZOLJKZBL-GFCCVEGCSA-N 1 0 323.393 2.906 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000266136106 271283982 /nfs/dbraw/zinc/28/39/82/271283982.db2.gz FNQPOIYFSAALEF-MRXNPFEDSA-N 1 0 320.437 2.587 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000285388184 427218631 /nfs/dbraw/zinc/21/86/31/427218631.db2.gz BVZUYUSSASQWIW-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277373280 427183619 /nfs/dbraw/zinc/18/36/19/427183619.db2.gz FLAOFRDSEUHGDG-CQSZACIVSA-N 1 0 307.394 2.816 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269453543 427199668 /nfs/dbraw/zinc/19/96/68/427199668.db2.gz WMFMPAUCIVZNPZ-XJKSGUPXSA-N 1 0 316.405 2.751 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC(C)(C)O ZINC000292983249 427209738 /nfs/dbraw/zinc/20/97/38/427209738.db2.gz FKWZIOIILOENRR-UHFFFAOYSA-N 1 0 306.284 2.816 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000285379989 427213686 /nfs/dbraw/zinc/21/36/86/427213686.db2.gz RPLKGUBXNFVLSD-QGZVFWFLSA-N 1 0 314.385 2.673 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394157 427220339 /nfs/dbraw/zinc/22/03/39/427220339.db2.gz WWMKHZZDZFBICN-YPMHNXCESA-N 1 0 305.378 2.929 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000338277830 427226432 /nfs/dbraw/zinc/22/64/32/427226432.db2.gz SOJHTWBXTUJLLQ-MRXNPFEDSA-N 1 0 321.421 2.840 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000254943021 427227437 /nfs/dbraw/zinc/22/74/37/427227437.db2.gz YTWOLZMEPBUNTQ-JVCLFCCPSA-N 1 0 317.389 2.549 20 5 DFBDRO CC(C)SCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000338287764 427238274 /nfs/dbraw/zinc/23/82/74/427238274.db2.gz SHRVAIFWQBJRPC-GFCCVEGCSA-N 1 0 310.423 2.618 20 5 DFBDRO COc1cccc(N2CC[C@@H](C[NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000293184281 427238553 /nfs/dbraw/zinc/23/85/53/427238553.db2.gz WADMQVYVDUPDDA-ZDUSSCGKSA-N 1 0 305.378 2.526 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000183308577 427245776 /nfs/dbraw/zinc/24/57/76/427245776.db2.gz YKLXBXFSJQTKDY-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CC(=O)N1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000330492141 427251113 /nfs/dbraw/zinc/25/11/13/427251113.db2.gz JBHVGONMEFOMNM-UHFFFAOYSA-N 1 0 319.405 2.819 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000293233572 427255957 /nfs/dbraw/zinc/25/59/57/427255957.db2.gz YPBAFFBEQGWKGZ-QGZVFWFLSA-N 1 0 322.405 2.704 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@@H](C)c1ccccc1 ZINC000183383508 427259598 /nfs/dbraw/zinc/25/95/98/427259598.db2.gz ALQSWHHOFNLHAY-ZIAGYGMSSA-N 1 0 315.373 2.538 20 5 DFBDRO C[N@@H+](Cc1cccc(F)c1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269729901 427263091 /nfs/dbraw/zinc/26/30/91/427263091.db2.gz XJNUAQBLJXZTPV-MRXNPFEDSA-N 1 0 304.321 2.899 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330586085 427268587 /nfs/dbraw/zinc/26/85/87/427268587.db2.gz SKVGSIIOGZZSFL-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000285665633 427305584 /nfs/dbraw/zinc/30/55/84/427305584.db2.gz PZVUCMZWJMZGHL-HNNXBMFYSA-N 1 0 321.377 2.695 20 5 DFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000277782925 427315664 /nfs/dbraw/zinc/31/56/64/427315664.db2.gz MNFBVAAZGWXLAN-UHFFFAOYSA-N 1 0 318.377 2.591 20 5 DFBDRO COC(=O)C(C)(C)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338636241 271565843 /nfs/dbraw/zinc/56/58/43/271565843.db2.gz NPQQTXWFMPFJBS-UHFFFAOYSA-N 1 0 308.378 2.658 20 5 DFBDRO C[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1C[NH3+] ZINC000261943887 427346638 /nfs/dbraw/zinc/34/66/38/427346638.db2.gz LXUNEICOPMUTJW-XHDPSFHLSA-N 1 0 300.362 2.707 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000261962992 427347984 /nfs/dbraw/zinc/34/79/84/427347984.db2.gz PBICDCOMZVGYPR-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000330670961 427288769 /nfs/dbraw/zinc/28/87/69/427288769.db2.gz DUYPCQQLILWUIX-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285626748 427290864 /nfs/dbraw/zinc/29/08/64/427290864.db2.gz KOSISGHCBPEFCF-DOMZBBRYSA-N 1 0 318.377 2.685 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000285621766 427293134 /nfs/dbraw/zinc/29/31/34/427293134.db2.gz JURCTMIMRIIUSG-DJSGYFEHSA-N 1 0 319.405 2.939 20 5 DFBDRO Cc1c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000271027436 427378406 /nfs/dbraw/zinc/37/84/06/427378406.db2.gz OUATXAOEODWURA-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccncc1 ZINC000271053856 427387348 /nfs/dbraw/zinc/38/73/48/427387348.db2.gz YGZOJDFYQPZVDB-UHFFFAOYSA-N 1 0 301.346 2.891 20 5 DFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000285976371 427390861 /nfs/dbraw/zinc/39/08/61/427390861.db2.gz FBAOPEOHSOLRBN-TZMCWYRMSA-N 1 0 323.418 2.797 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000271058445 427390980 /nfs/dbraw/zinc/39/09/80/427390980.db2.gz VLEHOJDRYQSUQK-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000278090495 427402020 /nfs/dbraw/zinc/40/20/20/427402020.db2.gz YEYFVXFTOMMRJZ-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191669638 427402663 /nfs/dbraw/zinc/40/26/63/427402663.db2.gz LSXYWDAPYRPSFU-KRWDZBQOSA-N 1 0 322.405 2.976 20 5 DFBDRO COc1cc(NC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000271101116 427403961 /nfs/dbraw/zinc/40/39/61/427403961.db2.gz PMKGERWGAWGBET-UHFFFAOYSA-N 1 0 309.341 2.781 20 5 DFBDRO C[C@@H]1C[C@H](N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000286025414 427404324 /nfs/dbraw/zinc/40/43/24/427404324.db2.gz ARCGKADGBKZMFB-NXEZZACHSA-N 1 0 321.406 2.518 20 5 DFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCOC2)c([N+](=O)[O-])cc1F ZINC000184211887 427417851 /nfs/dbraw/zinc/41/78/51/427417851.db2.gz JUAPHVRZWQLMHX-NSHDSACASA-N 1 0 312.341 2.601 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C[NH3+] ZINC000262561914 427362859 /nfs/dbraw/zinc/36/28/59/427362859.db2.gz VPTODQKSRXKGPM-NEPJUHHUSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806803 427461080 /nfs/dbraw/zinc/46/10/80/427461080.db2.gz ZPCKKIZQPUKCKW-GOEBONIOSA-N 1 0 314.389 2.978 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231705 427461189 /nfs/dbraw/zinc/46/11/89/427461189.db2.gz ZFGMCXCJJLROCY-JLJPHGGASA-N 1 0 322.405 2.644 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCC(N)=O)CC1 ZINC000271243329 427465706 /nfs/dbraw/zinc/46/57/06/427465706.db2.gz PRAKWBHTOMDOLM-GFCCVEGCSA-N 1 0 305.378 2.633 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@]3(C2)CCC[N@@H+](C)C3)n1 ZINC000338746810 427466499 /nfs/dbraw/zinc/46/64/99/427466499.db2.gz RTLQHGMRKCMEKX-MRXNPFEDSA-N 1 0 304.394 2.529 20 5 DFBDRO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000286307700 427488464 /nfs/dbraw/zinc/48/84/64/427488464.db2.gz JYDKMVMONXQIIL-NWDGAFQWSA-N 1 0 323.368 2.806 20 5 DFBDRO Cc1ccc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000278858541 427479325 /nfs/dbraw/zinc/47/93/25/427479325.db2.gz YBORPJDXWFJUGA-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO COC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184544366 427483696 /nfs/dbraw/zinc/48/36/96/427483696.db2.gz APGZQASJZAZGNI-OAHLLOKOSA-N 1 0 320.345 2.934 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000338676819 427433951 /nfs/dbraw/zinc/43/39/51/427433951.db2.gz PDCFTDZYFLSBQO-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000271179621 427435347 /nfs/dbraw/zinc/43/53/47/427435347.db2.gz VXWNAIYKLXGZFE-MRXNPFEDSA-N 1 0 303.406 2.963 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)n1 ZINC000191886115 427438789 /nfs/dbraw/zinc/43/87/89/427438789.db2.gz UXCODJZWPPLCSP-HZPDHXFCSA-N 1 0 314.389 2.792 20 5 DFBDRO COC[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000278609067 427446083 /nfs/dbraw/zinc/44/60/83/427446083.db2.gz BBHKFHFMELNOGO-SWLSCSKDSA-N 1 0 308.378 2.568 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000192176081 427496258 /nfs/dbraw/zinc/49/62/58/427496258.db2.gz IRJBYYGIPUEROD-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184588279 427496363 /nfs/dbraw/zinc/49/63/63/427496363.db2.gz SWDSFVXPTKWKLH-AWEZNQCLSA-N 1 0 306.318 2.544 20 5 DFBDRO C[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293949114 427499007 /nfs/dbraw/zinc/49/90/07/427499007.db2.gz ZEQLDCLXSUUKQW-IAQYHMDHSA-N 1 0 301.346 2.561 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000184611125 427501406 /nfs/dbraw/zinc/50/14/06/427501406.db2.gz ITNFONDQAWAURI-WFASDCNBSA-N 1 0 308.378 2.503 20 5 DFBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000332072621 427501872 /nfs/dbraw/zinc/50/18/72/427501872.db2.gz XFUHLJMNAMPZEV-ZIAGYGMSSA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1noc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081603 427504523 /nfs/dbraw/zinc/50/45/23/427504523.db2.gz MKESZDYYCXRBMN-PWSUYJOCSA-N 1 0 302.334 2.837 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184616814 427505067 /nfs/dbraw/zinc/50/50/67/427505067.db2.gz DVYPDVMTSWTKCQ-LLVKDONJSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000184632481 427508595 /nfs/dbraw/zinc/50/85/95/427508595.db2.gz XGZYJRIMENKUKM-GFCCVEGCSA-N 1 0 317.389 2.652 20 5 DFBDRO C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000298270719 427555065 /nfs/dbraw/zinc/55/50/65/427555065.db2.gz GXDYUKIEEFDXIE-LLVKDONJSA-N 1 0 302.334 2.877 20 5 DFBDRO CCc1nc(CC[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000271418504 427528303 /nfs/dbraw/zinc/52/83/03/427528303.db2.gz BFQTWUBGZRCGTF-ZDUSSCGKSA-N 1 0 304.350 2.824 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286575088 427536887 /nfs/dbraw/zinc/53/68/87/427536887.db2.gz XVFKVKJHUSTGDH-AAEUAGOBSA-N 1 0 320.349 2.566 20 5 DFBDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000263687514 427541032 /nfs/dbraw/zinc/54/10/32/427541032.db2.gz GKPZYUCISMXTDH-CQSZACIVSA-N 1 0 319.405 2.579 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2ncc([N+](=O)[O-])s2)ccc1F ZINC000192456275 427546045 /nfs/dbraw/zinc/54/60/45/427546045.db2.gz ZBFYLEZCTJKZSW-UHFFFAOYSA-N 1 0 310.354 2.864 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287177798 427554188 /nfs/dbraw/zinc/55/41/88/427554188.db2.gz CHUTXIOMTWPBJM-KBPBESRZSA-N 1 0 317.389 2.600 20 5 DFBDRO COc1cccc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000185208634 427614032 /nfs/dbraw/zinc/61/40/32/427614032.db2.gz ZGMJEGWHWBNQSM-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000192810003 427614380 /nfs/dbraw/zinc/61/43/80/427614380.db2.gz PMBYGZCQSCDGOW-UHFFFAOYSA-N 1 0 301.774 2.628 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)c1ccccc1 ZINC000294302080 427614510 /nfs/dbraw/zinc/61/45/10/427614510.db2.gz NKQDPLPTZBVIFJ-JKDFXYPNSA-N 1 0 315.373 2.950 20 5 DFBDRO CCC1(CC)CN(CCc2ccc([N+](=O)[O-])cc2)CC[S@]1=O ZINC000185237799 427620284 /nfs/dbraw/zinc/62/02/84/427620284.db2.gz XGYLDRFUAZKBBL-JOCHJYFZSA-N 1 0 324.446 2.760 20 5 DFBDRO O=[N+]([O-])c1cnc(NCC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000192520041 427556952 /nfs/dbraw/zinc/55/69/52/427556952.db2.gz NLCRBUZVYCIARF-UHFFFAOYSA-N 1 0 319.390 2.775 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000271497603 427560418 /nfs/dbraw/zinc/56/04/18/427560418.db2.gz LQUWEVWEMZQXKR-GXFFZTMASA-N 1 0 320.311 2.819 20 5 DFBDRO CCC1(CC)CN(Cc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185262937 427622901 /nfs/dbraw/zinc/62/29/01/427622901.db2.gz SRTLDFIWHFTCMR-NRFANRHFSA-N 1 0 310.419 2.718 20 5 DFBDRO CC(C)(C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OCCO ZINC000287286448 427570381 /nfs/dbraw/zinc/57/03/81/427570381.db2.gz JWZNDVBTCXQEGC-HNNXBMFYSA-N 1 0 322.405 2.694 20 5 DFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279176343 427587531 /nfs/dbraw/zinc/58/75/31/427587531.db2.gz CKGZHGDITQBXMT-WFASDCNBSA-N 1 0 317.389 2.652 20 5 DFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000185084364 427593505 /nfs/dbraw/zinc/59/35/05/427593505.db2.gz QQLNUUDLEWYIHU-YPKPFQOOSA-N 1 0 317.389 2.600 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000271953878 427603358 /nfs/dbraw/zinc/60/33/58/427603358.db2.gz RWIFVMHXHUTMFM-SECBINFHSA-N 1 0 304.318 2.791 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cc(N)ccc1[N+](=O)[O-])c1cccs1 ZINC000192764331 427604168 /nfs/dbraw/zinc/60/41/68/427604168.db2.gz FZPULQBFYPJVGW-ZDUSSCGKSA-N 1 0 306.391 2.953 20 5 DFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccccc2[N+](=O)[O-])cc1 ZINC000339039109 427644469 /nfs/dbraw/zinc/64/44/69/427644469.db2.gz DVIWBTGYMKWTGJ-QGZVFWFLSA-N 1 0 315.373 2.975 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000342256844 271976786 /nfs/dbraw/zinc/97/67/86/271976786.db2.gz XBMVPTKVMQCSMK-JGNQBTRVSA-N 1 0 304.390 2.996 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000287625398 427658186 /nfs/dbraw/zinc/65/81/86/427658186.db2.gz ZHXZCVYYQWQWGF-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccc(OC)c2[N+](=O)[O-])C1 ZINC000185497106 427663273 /nfs/dbraw/zinc/66/32/73/427663273.db2.gz YXQGYUCGNMZXLY-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO CCOC(=O)CN(Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCC1 ZINC000342381861 272000254 /nfs/dbraw/zinc/00/02/54/272000254.db2.gz VKAGBYZHGSBGJZ-UHFFFAOYSA-N 1 0 322.361 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2COc3ccccc32)c(F)c1 ZINC000342419347 272008247 /nfs/dbraw/zinc/00/82/47/272008247.db2.gz AARCWBKYYBIUQK-GFCCVEGCSA-N 1 0 302.305 3.000 20 5 DFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000343066946 272081876 /nfs/dbraw/zinc/08/18/76/272081876.db2.gz JDBYZOPOCHUGBF-GHMZBOCLSA-N 1 0 311.407 2.649 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000343271269 272110201 /nfs/dbraw/zinc/11/02/01/272110201.db2.gz NVXPXZGATXSPBO-UHFFFAOYSA-N 1 0 312.801 2.955 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000343470776 272155089 /nfs/dbraw/zinc/15/50/89/272155089.db2.gz YGAQGVQMNMGQMB-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C(=O)N2CCCC2)cccc1[N+](=O)[O-] ZINC000343511149 272163178 /nfs/dbraw/zinc/16/31/78/272163178.db2.gz SSWWYFAIQMPYPT-CHWSQXEVSA-N 1 0 305.378 2.565 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000343566758 272172052 /nfs/dbraw/zinc/17/20/52/272172052.db2.gz KKSVFLLLLPVTAU-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccccc1[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000343602974 272181009 /nfs/dbraw/zinc/18/10/09/272181009.db2.gz GTCYVQLWXVNTIG-OAHLLOKOSA-N 1 0 300.362 2.878 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000295064814 427680111 /nfs/dbraw/zinc/68/01/11/427680111.db2.gz ZJMFJUAKHQTYTF-GFCCVEGCSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907502 272235381 /nfs/dbraw/zinc/23/53/81/272235381.db2.gz AGSPTVXTRJWFRY-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000343914693 272237244 /nfs/dbraw/zinc/23/72/44/272237244.db2.gz NXULTNGBRFEVGT-SNVBAGLBSA-N 1 0 309.395 2.590 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916969 272237263 /nfs/dbraw/zinc/23/72/63/272237263.db2.gz GXZZULDQEWFXAQ-PBHICJAKSA-N 1 0 303.406 2.696 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([N+](=O)[O-])cc(Cl)c1=O ZINC000339113459 427680413 /nfs/dbraw/zinc/68/04/13/427680413.db2.gz ANXPJEHBALPIHO-LLVKDONJSA-N 1 0 313.785 2.673 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931929 272240001 /nfs/dbraw/zinc/24/00/01/272240001.db2.gz PYJQMKMVHKPVDT-CHWSQXEVSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931930 272240103 /nfs/dbraw/zinc/24/01/03/272240103.db2.gz PYJQMKMVHKPVDT-OLZOCXBDSA-N 1 0 307.369 2.793 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000344065482 272255085 /nfs/dbraw/zinc/25/50/85/272255085.db2.gz OKMJZRBIYPPDAX-LSDHHAIUSA-N 1 0 320.389 2.623 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccc1O ZINC000344146838 272273487 /nfs/dbraw/zinc/27/34/87/272273487.db2.gz CAPGNRUIYXRLHJ-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167917 272279166 /nfs/dbraw/zinc/27/91/66/272279166.db2.gz UTPZKINNLFVFQP-KBPBESRZSA-N 1 0 322.405 2.703 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CCOCC1 ZINC000344312509 272310459 /nfs/dbraw/zinc/31/04/59/272310459.db2.gz ZWAJFZYAZLELEP-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO COCC[C@H](Cc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000344331348 272314349 /nfs/dbraw/zinc/31/43/49/272314349.db2.gz WSGXWQMESVPROX-CQSZACIVSA-N 1 0 304.346 2.925 20 5 DFBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185862949 427721081 /nfs/dbraw/zinc/72/10/81/427721081.db2.gz DHGUYBQQJYVWMB-CQSZACIVSA-N 1 0 305.378 2.848 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000344737016 272363928 /nfs/dbraw/zinc/36/39/28/272363928.db2.gz XPISZTZFISOHAX-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COCC(C)C ZINC000344788927 272368918 /nfs/dbraw/zinc/36/89/18/272368918.db2.gz GTDYWJHLOQPGHD-ROOCWEIGSA-N 1 0 322.405 2.621 20 5 DFBDRO CS[C@H](CO)[C@@H](C)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344858265 272377888 /nfs/dbraw/zinc/37/78/88/272377888.db2.gz MHUPRAIYSWUFGB-FGWOKABOSA-N 1 0 310.419 2.700 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000344923926 272385154 /nfs/dbraw/zinc/38/51/54/272385154.db2.gz XNRBMYYQWGBOKO-DGCLKSJQSA-N 1 0 306.366 2.507 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2COc3ccccc3O2)cs1 ZINC000345014360 272394458 /nfs/dbraw/zinc/39/44/58/272394458.db2.gz DELUYAQQVWYSGQ-LBPRGKRZSA-N 1 0 320.370 2.976 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2F)C[C@H](C)O1 ZINC000301092930 427775123 /nfs/dbraw/zinc/77/51/23/427775123.db2.gz PUUNOGTXOYHHPU-TXEJJXNPSA-N 1 0 311.357 2.645 20 5 DFBDRO Cc1nn(C)c(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301099358 427775406 /nfs/dbraw/zinc/77/54/06/427775406.db2.gz QOFBDUGSURDRLC-XHDPSFHLSA-N 1 0 309.414 2.559 20 5 DFBDRO CCCNC(=O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000298949400 427732463 /nfs/dbraw/zinc/73/24/63/427732463.db2.gz OMDKMGPHABFJEE-CYBMUJFWSA-N 1 0 307.394 2.860 20 5 DFBDRO CCC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2COC)CC1 ZINC000301368789 427792070 /nfs/dbraw/zinc/79/20/70/427792070.db2.gz UBBXKAIETZJVDN-UHFFFAOYSA-N 1 0 307.394 2.663 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)CC2CC[NH+](C)CC2)c1 ZINC000301446921 427797159 /nfs/dbraw/zinc/79/71/59/427797159.db2.gz QJFSYWOAXZRUFK-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339613396 427801538 /nfs/dbraw/zinc/80/15/38/427801538.db2.gz DPNCALRDNCYLJE-ZIAGYGMSSA-N 1 0 321.421 2.906 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)nc1 ZINC000301549198 427804484 /nfs/dbraw/zinc/80/44/84/427804484.db2.gz GEAFJXARYFPBDH-OAHLLOKOSA-N 1 0 312.373 2.748 20 5 DFBDRO C[C@H]1C[NH+](CCCCNc2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301545182 427805113 /nfs/dbraw/zinc/80/51/13/427805113.db2.gz DQPKXVMXSKIZIM-KBPBESRZSA-N 1 0 307.394 2.896 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301576216 427807190 /nfs/dbraw/zinc/80/71/90/427807190.db2.gz MFTRYSUUBODCBZ-YPMHNXCESA-N 1 0 321.377 2.666 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000339709678 427816543 /nfs/dbraw/zinc/81/65/43/427816543.db2.gz KQBJVCRRAVLXTE-QGZVFWFLSA-N 1 0 306.406 2.868 20 5 DFBDRO Cc1cc(N2CC[NH+](C3CC3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302024905 427845937 /nfs/dbraw/zinc/84/59/37/427845937.db2.gz PNMFWWNGEZUNBZ-UHFFFAOYSA-N 1 0 312.373 2.736 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302020885 427846280 /nfs/dbraw/zinc/84/62/80/427846280.db2.gz NSYIVXDOHFYPHU-MEDUHNTESA-N 1 0 314.389 2.838 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000359437172 427851353 /nfs/dbraw/zinc/85/13/53/427851353.db2.gz JKZVANHPBLZCLV-NWDGAFQWSA-N 1 0 309.414 2.794 20 5 DFBDRO Cc1cc(N2CC[C@@H](O)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302555206 427853285 /nfs/dbraw/zinc/85/32/85/427853285.db2.gz XPMFVLVXCOYHMV-MGPLVRAMSA-N 1 0 301.346 2.659 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354656 427862035 /nfs/dbraw/zinc/86/20/35/427862035.db2.gz BOQDTXLCTQGJFA-GXTWGEPZSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000337366001 427867084 /nfs/dbraw/zinc/86/70/84/427867084.db2.gz LKKQORYBMGJLHO-CHWSQXEVSA-N 1 0 320.393 2.979 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339935506 427879122 /nfs/dbraw/zinc/87/91/22/427879122.db2.gz IBLMVLIYRWELTB-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777562 427886386 /nfs/dbraw/zinc/88/63/86/427886386.db2.gz CDHAUPBSAANHDX-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000355781189 427888541 /nfs/dbraw/zinc/88/85/41/427888541.db2.gz PJENUOYIWMDRPV-OCCSQVGLSA-N 1 0 307.394 2.939 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784241 427892852 /nfs/dbraw/zinc/89/28/52/427892852.db2.gz IOQFNKUMOZEDQD-CTASWTNQSA-N 1 0 322.405 2.701 20 5 DFBDRO Cc1c(-c2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000351145346 428020759 /nfs/dbraw/zinc/02/07/59/428020759.db2.gz JVVUVVRTXXRMCA-CABZTGNLSA-N 1 0 302.334 2.618 20 5 DFBDRO C[N@H+](CCCCNc1nc2ccccc2cc1[N+](=O)[O-])C1CC1 ZINC000413344827 428025311 /nfs/dbraw/zinc/02/53/11/428025311.db2.gz DQKMAXFRVXFGOI-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO C[N@H+](CCCCNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413349250 428026661 /nfs/dbraw/zinc/02/66/61/428026661.db2.gz RCXMMQSHFYJXFF-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]2OC)c([N+](=O)[O-])cc1OC ZINC000341253356 428028881 /nfs/dbraw/zinc/02/88/81/428028881.db2.gz CCDAZIXEVIKAOK-FZMZJTMJSA-N 1 0 324.377 2.517 20 5 DFBDRO Cc1c(C[NH2+]Cc2ccc([S@@](C)=O)cc2)cccc1[N+](=O)[O-] ZINC000359835035 428036854 /nfs/dbraw/zinc/03/68/54/428036854.db2.gz VUYKCQLPVGCFNR-JOCHJYFZSA-N 1 0 318.398 2.930 20 5 DFBDRO C[C@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@@H+]1C ZINC000413240318 428001045 /nfs/dbraw/zinc/00/10/45/428001045.db2.gz JPAPIDQIMIKEMK-GZMMTYOYSA-N 1 0 318.299 2.903 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000340373992 428003956 /nfs/dbraw/zinc/00/39/56/428003956.db2.gz BGVPSUYGSXHLGA-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1sc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000377254605 428093116 /nfs/dbraw/zinc/09/31/16/428093116.db2.gz VYSAHOUCLVOUAU-UHFFFAOYSA-N 1 0 323.418 2.665 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000341542397 428099806 /nfs/dbraw/zinc/09/98/06/428099806.db2.gz JQXHAGYXAKFVCY-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000346271419 428102602 /nfs/dbraw/zinc/10/26/02/428102602.db2.gz DPRKGUOGILUJFF-OCCSQVGLSA-N 1 0 317.389 2.603 20 5 DFBDRO Cc1c(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)cccc1[N+](=O)[O-] ZINC000370017598 428111243 /nfs/dbraw/zinc/11/12/43/428111243.db2.gz KPNPSPVQLSTTLO-QWHCGFSZSA-N 1 0 303.362 2.716 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000377373524 428114814 /nfs/dbraw/zinc/11/48/14/428114814.db2.gz SVQRVFAFKICQLM-UHFFFAOYSA-N 1 0 306.366 2.544 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000370057214 428123714 /nfs/dbraw/zinc/12/37/14/428123714.db2.gz VURNCIFKBDACFX-QGZVFWFLSA-N 1 0 314.389 2.882 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000359893592 428064749 /nfs/dbraw/zinc/06/47/49/428064749.db2.gz BNBWURARKHSJGH-IYBDPMFKSA-N 1 0 324.384 2.558 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358228 428134700 /nfs/dbraw/zinc/13/47/00/428134700.db2.gz XBBOGBAEXUUXLF-ZIAGYGMSSA-N 1 0 314.389 3.428 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352541283 428141615 /nfs/dbraw/zinc/14/16/15/428141615.db2.gz VZJBBJODJSWXPC-KGLIPLIRSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[NH+](CC)CCOCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000360068913 428143807 /nfs/dbraw/zinc/14/38/07/428143807.db2.gz BOKYMJVAJQVSKZ-UHFFFAOYSA-N 1 0 313.373 2.813 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000341760434 428185315 /nfs/dbraw/zinc/18/53/15/428185315.db2.gz METBZRYBWURPQS-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609091 428168730 /nfs/dbraw/zinc/16/87/30/428168730.db2.gz RBADAKYQEBXRSZ-CQSZACIVSA-N 1 0 321.396 2.898 20 5 DFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000414099157 428206129 /nfs/dbraw/zinc/20/61/29/428206129.db2.gz JJVIQUJREVBCML-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c(F)c1 ZINC000360228456 428212024 /nfs/dbraw/zinc/21/20/24/428212024.db2.gz BTRFTMHWCMXKCZ-WBMJQRKESA-N 1 0 323.368 2.647 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352699832 428213056 /nfs/dbraw/zinc/21/30/56/428213056.db2.gz SGHCCDLDLRFECB-CABCVRRESA-N 1 0 308.378 2.727 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749484 428217185 /nfs/dbraw/zinc/21/71/85/428217185.db2.gz ZUCCXRUMIMKRHQ-COXVUDFISA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000352713849 428217223 /nfs/dbraw/zinc/21/72/23/428217223.db2.gz JCVPIFCZXQIPKP-UHFFFAOYSA-N 1 0 308.284 2.911 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749488 428218030 /nfs/dbraw/zinc/21/80/30/428218030.db2.gz ZUCCXRUMIMKRHQ-XOKHGSTOSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2COc3ccccc3O2)cc1 ZINC000360274495 428231891 /nfs/dbraw/zinc/23/18/91/428231891.db2.gz LHFJXZVYFSYNGS-OAHLLOKOSA-N 1 0 314.341 2.915 20 5 DFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414211658 428236209 /nfs/dbraw/zinc/23/62/09/428236209.db2.gz VSLIRHZAWCBOMT-OLZOCXBDSA-N 1 0 323.393 2.574 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCn2ccnc2C1 ZINC000377683477 428192675 /nfs/dbraw/zinc/19/26/75/428192675.db2.gz ZKZVBVKEHUZUGX-OAHLLOKOSA-N 1 0 314.389 2.528 20 5 DFBDRO C[C@H]1C[C@@H](c2ccsc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000377954038 428269253 /nfs/dbraw/zinc/26/92/53/428269253.db2.gz MZYXAKYOKKMUCP-WCQYABFASA-N 1 0 306.391 2.731 20 5 DFBDRO CCc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000414361240 428270017 /nfs/dbraw/zinc/27/00/17/428270017.db2.gz HUAXRDPNIFABED-UHFFFAOYSA-N 1 0 300.362 2.972 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000378058901 428297024 /nfs/dbraw/zinc/29/70/24/428297024.db2.gz LZMBDMJCTAAYHA-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780883 428246312 /nfs/dbraw/zinc/24/63/12/428246312.db2.gz WFYRXSYIRMUPGY-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000370579476 428246504 /nfs/dbraw/zinc/24/65/04/428246504.db2.gz KLAKJBRVXKGVFJ-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000352789955 428248961 /nfs/dbraw/zinc/24/89/61/428248961.db2.gz CQRNEJIUPWBDSI-SMDDNHRTSA-N 1 0 323.418 2.573 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000352796542 428253763 /nfs/dbraw/zinc/25/37/63/428253763.db2.gz GOFLAMBGTUFXLY-CHWSQXEVSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370620326 428253954 /nfs/dbraw/zinc/25/39/54/428253954.db2.gz PBNMWMXTOZXTMR-CYBMUJFWSA-N 1 0 312.369 2.775 20 5 DFBDRO CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342231 428261987 /nfs/dbraw/zinc/26/19/87/428261987.db2.gz MBCTWECALYNWOP-BHYGNILZSA-N 1 0 317.433 2.990 20 5 DFBDRO CC1(C)CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000331708381 273580963 /nfs/dbraw/zinc/58/09/63/273580963.db2.gz YZVUHPSNVJKCER-OAHLLOKOSA-N 1 0 317.389 2.822 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2Cn2cncn2)ccc1Cl ZINC000378169988 428325051 /nfs/dbraw/zinc/32/50/51/428325051.db2.gz PFXLPHIVSADTRQ-GFCCVEGCSA-N 1 0 321.768 2.504 20 5 DFBDRO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c(=O)[nH]1 ZINC000346806320 428325128 /nfs/dbraw/zinc/32/51/28/428325128.db2.gz KHGIJIYEUKHJEC-JTQLQIEISA-N 1 0 302.334 2.558 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1nccn1C ZINC000352966612 428332542 /nfs/dbraw/zinc/33/25/42/428332542.db2.gz JXJOAUURGXSVQN-SNVBAGLBSA-N 1 0 308.769 2.875 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000371017361 428341646 /nfs/dbraw/zinc/34/16/46/428341646.db2.gz IOBJURXZGDRKCG-QWHCGFSZSA-N 1 0 310.785 2.706 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414562791 428342078 /nfs/dbraw/zinc/34/20/78/428342078.db2.gz VLLBBJJRTGOHAV-MRXNPFEDSA-N 1 0 306.362 2.678 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353010650 428349835 /nfs/dbraw/zinc/34/98/35/428349835.db2.gz WCEXKVRQRIORME-LLVKDONJSA-N 1 0 316.304 2.535 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@H]2C(F)F)c1 ZINC000342209664 428351590 /nfs/dbraw/zinc/35/15/90/428351590.db2.gz LQWHFWCZTAKREI-BDAKNGLRSA-N 1 0 308.231 2.939 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000357115825 428395643 /nfs/dbraw/zinc/39/56/43/428395643.db2.gz FJRHHFYEDALVRO-UHFFFAOYSA-N 1 0 311.407 2.604 20 5 DFBDRO CC(C)CC[C@@H](O)C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000360676531 428395828 /nfs/dbraw/zinc/39/58/28/428395828.db2.gz PKGNINJWEWWRME-QGZVFWFLSA-N 1 0 321.421 2.514 20 5 DFBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC([NH3+])C1 ZINC000414766180 428399157 /nfs/dbraw/zinc/39/91/57/428399157.db2.gz DGXMETPNLHMZIO-UHFFFAOYSA-N 1 0 301.346 2.776 20 5 DFBDRO CCOC1CC2(C1)CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C2 ZINC000353025221 428357372 /nfs/dbraw/zinc/35/73/72/428357372.db2.gz RADKPDAFQGOJSW-UHFFFAOYSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1[N+](=O)[O-] ZINC000353032589 428364816 /nfs/dbraw/zinc/36/48/16/428364816.db2.gz XMVJELRZOQXXMK-NSHDSACASA-N 1 0 316.304 2.665 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414656726 428367818 /nfs/dbraw/zinc/36/78/18/428367818.db2.gz JBWUXFXAJKPHTD-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000414667529 428368071 /nfs/dbraw/zinc/36/80/71/428368071.db2.gz XZYSDYUKFDCUQL-AWEZNQCLSA-N 1 0 320.393 2.803 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925429 428459278 /nfs/dbraw/zinc/45/92/78/428459278.db2.gz JPHAQEAIOUWESG-IUODEOHRSA-N 1 0 315.373 2.942 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCc2nccn2C1 ZINC000372576252 428464953 /nfs/dbraw/zinc/46/49/53/428464953.db2.gz YBLCATGCUBQNLI-HNNXBMFYSA-N 1 0 314.389 2.528 20 5 DFBDRO C[NH2+][C@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414992210 428481598 /nfs/dbraw/zinc/48/15/98/428481598.db2.gz SULDYHVJOKZCAM-LLVKDONJSA-N 1 0 319.361 2.561 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353322203 428485013 /nfs/dbraw/zinc/48/50/13/428485013.db2.gz JMCBBLSCZBAYRM-LBPRGKRZSA-N 1 0 308.382 2.837 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000360909931 428487398 /nfs/dbraw/zinc/48/73/98/428487398.db2.gz NPXVGJPCBYDVPR-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000415037105 428496692 /nfs/dbraw/zinc/49/66/92/428496692.db2.gz GCXLLVYCNVRDJL-WBMJQRKESA-N 1 0 307.369 2.698 20 5 DFBDRO COc1ccc(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059789 428506841 /nfs/dbraw/zinc/50/68/41/428506841.db2.gz XMYVDTVCDZRANZ-CABCVRRESA-N 1 0 319.405 2.567 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000360959105 428511324 /nfs/dbraw/zinc/51/13/24/428511324.db2.gz FIMQDUJFSBLDMB-NEPJUHHUSA-N 1 0 309.414 2.794 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347279104 428525735 /nfs/dbraw/zinc/52/57/35/428525735.db2.gz WPBRNAPVQIRWRJ-UHFFFAOYSA-N 1 0 312.345 2.539 20 5 DFBDRO C[C@@H](CCNc1ccncc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000360991388 428527921 /nfs/dbraw/zinc/52/79/21/428527921.db2.gz SNFNHAOAPYYZFY-AWEZNQCLSA-N 1 0 314.389 2.734 20 5 DFBDRO C[NH2+]CCCN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000415124952 428529687 /nfs/dbraw/zinc/52/96/87/428529687.db2.gz DCWARANQBQGLDD-UHFFFAOYSA-N 1 0 303.362 2.896 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391525455 428479045 /nfs/dbraw/zinc/47/90/45/428479045.db2.gz FULSXPWIEKSWSE-UKRRQHHQSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415492316 428589304 /nfs/dbraw/zinc/58/93/04/428589304.db2.gz BQUNEWJJRBPIJX-NWDGAFQWSA-N 1 0 306.366 2.542 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2csc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000415128995 428533131 /nfs/dbraw/zinc/53/31/31/428533131.db2.gz TWEVJLHCYBNOJF-UONOGXRCSA-N 1 0 321.377 2.722 20 5 DFBDRO CC[C@@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000343249905 428540912 /nfs/dbraw/zinc/54/09/12/428540912.db2.gz FISWEDKBPMPRHG-NXEZZACHSA-N 1 0 310.379 3.186 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000361375291 428563590 /nfs/dbraw/zinc/56/35/90/428563590.db2.gz CHJAXRWGKFYSBY-KGLIPLIRSA-N 1 0 317.389 2.684 20 5 DFBDRO Cc1cc(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000415420158 428579389 /nfs/dbraw/zinc/57/93/89/428579389.db2.gz SJFVBGIDPJGBKA-CYBMUJFWSA-N 1 0 308.382 2.740 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000415419944 428579942 /nfs/dbraw/zinc/57/99/42/428579942.db2.gz RSNMJQXGVUCLFH-AAEUAGOBSA-N 1 0 306.366 2.542 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000408052330 428597106 /nfs/dbraw/zinc/59/71/06/428597106.db2.gz UDYDATSBWBKKCH-UPJWGTAASA-N 1 0 321.377 2.665 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)cc([N+](=O)[O-])c1 ZINC000373553011 428605531 /nfs/dbraw/zinc/60/55/31/428605531.db2.gz YOQJUMNLSRQYFA-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344014264 428606082 /nfs/dbraw/zinc/60/60/82/428606082.db2.gz WKRFKCXPCLQVCQ-WCQYABFASA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347573357 428607597 /nfs/dbraw/zinc/60/75/97/428607597.db2.gz VJRBFZYNVNJUJR-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834844 273974338 /nfs/dbraw/zinc/97/43/38/273974338.db2.gz OOIKBTUQWAGGAW-JTQLQIEISA-N 1 0 314.183 2.546 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000373585387 428611396 /nfs/dbraw/zinc/61/13/96/428611396.db2.gz NNZKHYHDFBUNTA-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000344031798 428611900 /nfs/dbraw/zinc/61/19/00/428611900.db2.gz CYRXAZCIZZHRSQ-HOCLYGCPSA-N 1 0 320.389 2.623 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1nc(C)cc(C)c1[N+](=O)[O-] ZINC000408171468 428614015 /nfs/dbraw/zinc/61/40/15/428614015.db2.gz JZAYLAYODJFHIT-KBPBESRZSA-N 1 0 304.394 2.670 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000373735552 428643211 /nfs/dbraw/zinc/64/32/11/428643211.db2.gz HUCAVXTZGWFPFI-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO Cc1nc(N2CCCC3(CC[NH+](C)CC3)C2)ccc1[N+](=O)[O-] ZINC000373959975 428657101 /nfs/dbraw/zinc/65/71/01/428657101.db2.gz XDGGRQNMFNAHHX-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO COCC1(C)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000358753317 428658799 /nfs/dbraw/zinc/65/87/99/428658799.db2.gz RJHHSLWWDJVIKP-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CCO)CCCCC1 ZINC000353673932 428651802 /nfs/dbraw/zinc/65/18/02/428651802.db2.gz GXUBBDYIKSJZFZ-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO COc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c(F)cc1[N+](=O)[O-] ZINC000408440729 428662670 /nfs/dbraw/zinc/66/26/70/428662670.db2.gz AJGBIXMZWUAIMZ-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO CN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416108137 428669434 /nfs/dbraw/zinc/66/94/34/428669434.db2.gz PNSSHCUJADKRNZ-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000086471383 274364314 /nfs/dbraw/zinc/36/43/14/274364314.db2.gz JJCUANDXEQEUKM-BDAKNGLRSA-N 1 0 303.284 2.800 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H]3CCOC3)CC2)cc1 ZINC000374583095 428703451 /nfs/dbraw/zinc/70/34/51/428703451.db2.gz FFOBESGVDHCFGM-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO CCc1ccc([C@@H](NCC[NH+](C)C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000348329234 428710834 /nfs/dbraw/zinc/71/08/34/428710834.db2.gz QLQDGFNGKZNXCW-KRWDZBQOSA-N 1 0 317.389 2.991 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](C1CC1)N(C)C ZINC000344842379 428712843 /nfs/dbraw/zinc/71/28/43/428712843.db2.gz BEUQXPNVXMULLJ-VEMDQMBVSA-N 1 0 303.406 2.928 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000229595895 274420540 /nfs/dbraw/zinc/42/05/40/274420540.db2.gz VELYTLIFNOQGJJ-WCBMZHEXSA-N 1 0 314.183 2.910 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCC(C(N)=O)CC1 ZINC000344881438 428718428 /nfs/dbraw/zinc/71/84/28/428718428.db2.gz XIHOZGRAHQGJKA-FMIVXFBMSA-N 1 0 317.389 2.632 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000374634326 428719737 /nfs/dbraw/zinc/71/97/37/428719737.db2.gz ZWFWAUBBWDONDG-CVEARBPZSA-N 1 0 306.362 2.651 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000344918942 428722839 /nfs/dbraw/zinc/72/28/39/428722839.db2.gz YAMFHJDIRGOBJD-PPHUUTPLSA-N 1 0 317.389 2.632 20 5 DFBDRO CCc1nccn1C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000362255415 428678242 /nfs/dbraw/zinc/67/82/42/428678242.db2.gz HICJCTFTZIIBHL-CYBMUJFWSA-N 1 0 315.377 2.726 20 5 DFBDRO CCOC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000348468773 428752377 /nfs/dbraw/zinc/75/23/77/428752377.db2.gz LCUDQWCCQBFSLJ-OAHLLOKOSA-N 1 0 324.377 2.612 20 5 DFBDRO CCOC[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000348480587 428757748 /nfs/dbraw/zinc/75/77/48/428757748.db2.gz RFVQXWYRSZWIGL-HNNXBMFYSA-N 1 0 323.393 2.574 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348523142 428768577 /nfs/dbraw/zinc/76/85/77/428768577.db2.gz BXLRBCNPSQKUFS-AAEUAGOBSA-N 1 0 316.304 2.853 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000359023983 428778436 /nfs/dbraw/zinc/77/84/36/428778436.db2.gz AIHSLEHKMJAMBS-HIFRSBDPSA-N 1 0 319.405 2.812 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000359033262 428781968 /nfs/dbraw/zinc/78/19/68/428781968.db2.gz HQAAJPFFXZVGOG-DZGCQCFKSA-N 1 0 319.405 2.812 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[C@H]1O ZINC000348545714 428784126 /nfs/dbraw/zinc/78/41/26/428784126.db2.gz LBLKIKOKMJLWOX-NWDGAFQWSA-N 1 0 316.304 2.541 20 5 DFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000353948051 428788770 /nfs/dbraw/zinc/78/87/70/428788770.db2.gz RAGGGYSTOGJYBS-KBXIAJHMSA-N 1 0 322.409 2.537 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NC(C)(C)C[NH+](C)C ZINC000411094735 428738326 /nfs/dbraw/zinc/73/83/26/428738326.db2.gz GHZDVUGMGRAFTF-UHFFFAOYSA-N 1 0 313.785 2.627 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000374774120 428747002 /nfs/dbraw/zinc/74/70/02/428747002.db2.gz AHPSXOSUUFPBCI-IIAWOOMASA-N 1 0 319.380 2.650 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000375302926 428847527 /nfs/dbraw/zinc/84/75/27/428847527.db2.gz MODGIBOZIAFWGS-KHIZAZIESA-N 1 0 317.389 2.611 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)c2cccnc2)cccc1[N+](=O)[O-] ZINC000348697851 428815346 /nfs/dbraw/zinc/81/53/46/428815346.db2.gz NJPPIWLKTUHEKG-UKRRQHHQSA-N 1 0 315.373 2.725 20 5 DFBDRO O=C(CC[N@@H+]1CCCC12CCC2)Nc1ccc([N+](=O)[O-])cc1 ZINC000411651019 428833510 /nfs/dbraw/zinc/83/35/10/428833510.db2.gz WQHDRODASOOEIL-UHFFFAOYSA-N 1 0 303.362 2.942 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000375276030 428840157 /nfs/dbraw/zinc/84/01/57/428840157.db2.gz QQDWMZDEUTWKNO-AWEZNQCLSA-N 1 0 304.394 2.835 20 5 DFBDRO COc1ccc(OCC[NH2+][C@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412020072 428909998 /nfs/dbraw/zinc/90/99/98/428909998.db2.gz HEKRRFNIXMINTP-GFCCVEGCSA-N 1 0 324.377 2.529 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417147691 428861201 /nfs/dbraw/zinc/86/12/01/428861201.db2.gz ZTUMMXLHDRDYNG-SWLSCSKDSA-N 1 0 322.409 2.671 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000348880867 428866627 /nfs/dbraw/zinc/86/66/27/428866627.db2.gz WCEIYEOOHVQYQP-NSHDSACASA-N 1 0 300.305 2.964 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411902431 428879648 /nfs/dbraw/zinc/87/96/48/428879648.db2.gz HEIDYURGELWULG-VBNZEHGJSA-N 1 0 319.405 2.545 20 5 DFBDRO Cn1cc(C[NH2+]C[C@H]2CC23CC3)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000418091948 428880094 /nfs/dbraw/zinc/88/00/94/428880094.db2.gz HGJTZAKFVPYRKF-CQSZACIVSA-N 1 0 312.373 2.885 20 5 DFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412040834 428919587 /nfs/dbraw/zinc/91/95/87/428919587.db2.gz KSWAWBCMWLHRDT-GFCCVEGCSA-N 1 0 305.378 2.678 20 5 DFBDRO CCC(=O)c1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000375654997 428932256 /nfs/dbraw/zinc/93/22/56/428932256.db2.gz KYHIIGLBKQHNQH-CQSZACIVSA-N 1 0 317.389 2.862 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C(F)F ZINC000349207004 428938226 /nfs/dbraw/zinc/93/82/26/428938226.db2.gz FTBJUHCPCZLKRR-MWLCHTKSSA-N 1 0 320.361 2.681 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2ccnc2C)cc1[N+](=O)[O-] ZINC000349201779 428939269 /nfs/dbraw/zinc/93/92/69/428939269.db2.gz MHLMKZFZJRYMKF-LBPRGKRZSA-N 1 0 318.377 2.849 20 5 DFBDRO [NH3+]C1CCC(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000420173640 428948131 /nfs/dbraw/zinc/94/81/31/428948131.db2.gz XMDCSHUQUGIGLE-UHFFFAOYSA-N 1 0 318.402 3.400 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420237230 428949503 /nfs/dbraw/zinc/94/95/03/428949503.db2.gz BUNWRKMBDLVIIX-GXFFZTMASA-N 1 0 318.402 3.271 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000375733782 428956212 /nfs/dbraw/zinc/95/62/12/428956212.db2.gz ZROWEMVDUFNXQY-UHFFFAOYSA-N 1 0 306.362 2.522 20 5 DFBDRO C[NH+](C)CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000349294908 428957379 /nfs/dbraw/zinc/95/73/79/428957379.db2.gz IYDMSYBOPXEFKV-UHFFFAOYSA-N 1 0 320.418 2.615 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1SCC[N@H+](C)Cc1ccccc1 ZINC000432919598 428968177 /nfs/dbraw/zinc/96/81/77/428968177.db2.gz VBMCYNUJMQCFTD-UHFFFAOYSA-N 1 0 306.391 2.552 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451908294 429015999 /nfs/dbraw/zinc/01/59/99/429015999.db2.gz IXZVPJDFNJKQBV-INIZCTEOSA-N 1 0 306.362 2.606 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433283428 429018823 /nfs/dbraw/zinc/01/88/23/429018823.db2.gz OMEOHFOZXPQDBZ-VXGBXAGGSA-N 1 0 300.305 2.533 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915650 429019145 /nfs/dbraw/zinc/01/91/45/429019145.db2.gz VUGCIJIDINFDFF-GBIKHYSHSA-N 1 0 318.295 2.901 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451915647 429020022 /nfs/dbraw/zinc/02/00/22/429020022.db2.gz VUGCIJIDINFDFF-BREBYQMCSA-N 1 0 318.295 2.901 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1=O ZINC000433304284 429021370 /nfs/dbraw/zinc/02/13/70/429021370.db2.gz MTQQUMGVWFVQRK-LSDHHAIUSA-N 1 0 317.389 2.528 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421755406 429028120 /nfs/dbraw/zinc/02/81/20/429028120.db2.gz GGFQRCULUXXVPZ-AWEZNQCLSA-N 1 0 319.405 2.673 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000375813193 428981088 /nfs/dbraw/zinc/98/10/88/428981088.db2.gz JFYOOLMPGFUZAM-IUODEOHRSA-N 1 0 318.377 2.685 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@@H](O)C(F)(F)F ZINC000349404153 428982122 /nfs/dbraw/zinc/98/21/22/428982122.db2.gz FIMBWTLRXZIWED-BCRSCGJKSA-N 1 0 318.295 2.853 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000375809588 428983195 /nfs/dbraw/zinc/98/31/95/428983195.db2.gz FHAXYVBITQTYMO-HUUCEWRRSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)c1 ZINC000433076701 428990530 /nfs/dbraw/zinc/99/05/30/428990530.db2.gz LGACNULNTQLKBP-OAHLLOKOSA-N 1 0 300.362 2.671 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000375987918 429034090 /nfs/dbraw/zinc/03/40/90/429034090.db2.gz WPTONUXWBUMANA-UONOGXRCSA-N 1 0 300.362 2.754 20 5 DFBDRO CCn1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1=O ZINC000433104332 428996117 /nfs/dbraw/zinc/99/61/17/428996117.db2.gz NJDXMEULPVAGAB-LBPRGKRZSA-N 1 0 301.346 2.627 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000451844031 428996722 /nfs/dbraw/zinc/99/67/22/428996722.db2.gz ODSYGJCXGWYTHS-GFCCVEGCSA-N 1 0 318.377 2.652 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000451850686 428997570 /nfs/dbraw/zinc/99/75/70/428997570.db2.gz XQHGMMNIQSWGAR-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859131 428998887 /nfs/dbraw/zinc/99/88/87/428998887.db2.gz ILVPHFMPQCFRJL-HOCLYGCPSA-N 1 0 317.389 2.684 20 5 DFBDRO CC(C)[C@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000433134349 428999405 /nfs/dbraw/zinc/99/94/05/428999405.db2.gz GQKFKJFOFAMALV-HNNXBMFYSA-N 1 0 307.394 2.563 20 5 DFBDRO Cc1cnn(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000192969115 274830319 /nfs/dbraw/zinc/83/03/19/274830319.db2.gz GPYWLTIKXUJRCT-INIZCTEOSA-N 1 0 300.362 2.767 20 5 DFBDRO CCn1cccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c1=O ZINC000433199770 429010430 /nfs/dbraw/zinc/01/04/30/429010430.db2.gz DZMHYFUALCNKMQ-YVMONPNESA-N 1 0 313.357 2.579 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423441232 429089705 /nfs/dbraw/zinc/08/97/05/429089705.db2.gz BDGDFALQXDORMJ-RYUDHWBXSA-N 1 0 305.378 2.528 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000421860768 429040353 /nfs/dbraw/zinc/04/03/53/429040353.db2.gz GXPVVBYXCRDCLB-CQSZACIVSA-N 1 0 319.405 2.814 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421867937 429042645 /nfs/dbraw/zinc/04/26/45/429042645.db2.gz COPUAYUIWNOWIQ-CZUORRHYSA-N 1 0 319.405 2.894 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CCCSC1 ZINC000355472294 429048165 /nfs/dbraw/zinc/04/81/65/429048165.db2.gz NCEQJAPSYZUDIQ-HNNXBMFYSA-N 1 0 310.419 2.593 20 5 DFBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000452100465 429056709 /nfs/dbraw/zinc/05/67/09/429056709.db2.gz IALLALIZMOFANQ-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452113369 429061660 /nfs/dbraw/zinc/06/16/60/429061660.db2.gz HLUVWJXPVSBSQC-HNNXBMFYSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423967643 429066729 /nfs/dbraw/zinc/06/67/29/429066729.db2.gz SYVWTJSKFNFFKT-LSDHHAIUSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000376226478 429080437 /nfs/dbraw/zinc/08/04/37/429080437.db2.gz NUHRIGXCQUEIOC-MRXNPFEDSA-N 1 0 314.389 2.746 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000376600356 429145994 /nfs/dbraw/zinc/14/59/94/429145994.db2.gz RBAUSGTZWDKQHX-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413138554 429147192 /nfs/dbraw/zinc/14/71/92/429147192.db2.gz JFCRPXJRZIZLPF-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)C[NH+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413029948 429124517 /nfs/dbraw/zinc/12/45/17/429124517.db2.gz UCGJTGNUKNEAFL-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000376512021 429125964 /nfs/dbraw/zinc/12/59/64/429125964.db2.gz GAZZOKAYWRZCDF-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000413034362 429125947 /nfs/dbraw/zinc/12/59/47/429125947.db2.gz BDIUMWZZLOUCOH-LBPRGKRZSA-N 1 0 310.354 2.905 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452576566 429128891 /nfs/dbraw/zinc/12/88/91/429128891.db2.gz UFWXNDQUOQRLQJ-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071374 429166193 /nfs/dbraw/zinc/16/61/93/429166193.db2.gz YWVMQDIALZWOHZ-NEPJUHHUSA-N 1 0 324.352 2.601 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000320702341 275034219 /nfs/dbraw/zinc/03/42/19/275034219.db2.gz OJNPLAAWESYHKG-NXEZZACHSA-N 1 0 319.390 2.638 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c(F)c1 ZINC000408468480 275040862 /nfs/dbraw/zinc/04/08/62/275040862.db2.gz NPZXKFYRYQBWEP-LBPRGKRZSA-N 1 0 308.357 2.584 20 5 DFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(Cl)c1 ZINC000301367275 275041184 /nfs/dbraw/zinc/04/11/84/275041184.db2.gz RFXZAEUYBGDWRH-ZKYQVNSYSA-N 1 0 322.796 2.564 20 5 DFBDRO O=[N+]([O-])c1cnc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(Cl)c1 ZINC000301367274 275041225 /nfs/dbraw/zinc/04/12/25/275041225.db2.gz RFXZAEUYBGDWRH-VHRBIJSZSA-N 1 0 322.796 2.564 20 5 DFBDRO C[NH+](C)C1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000487926421 429173274 /nfs/dbraw/zinc/17/32/74/429173274.db2.gz CQMZFNGYCVIWOE-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)s1 ZINC000364329922 429184460 /nfs/dbraw/zinc/18/44/60/429184460.db2.gz SXACEBPAONUILZ-LBPRGKRZSA-N 1 0 306.391 2.998 20 5 DFBDRO CCOc1cc(N2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000488747199 429195892 /nfs/dbraw/zinc/19/58/92/429195892.db2.gz ITGOWQCKLNGKHP-MRXNPFEDSA-N 1 0 305.378 2.526 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000495259262 429192638 /nfs/dbraw/zinc/19/26/38/429192638.db2.gz KVJPULZZJRWEGL-WBMJQRKESA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)n1 ZINC000488736383 429192790 /nfs/dbraw/zinc/19/27/90/429192790.db2.gz PSXGVBZWNAVRHI-YWPYICTPSA-N 1 0 318.421 2.773 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)n1 ZINC000488736381 429193350 /nfs/dbraw/zinc/19/33/50/429193350.db2.gz PSXGVBZWNAVRHI-SLEUVZQESA-N 1 0 318.421 2.773 20 5 DFBDRO COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495559140 429223078 /nfs/dbraw/zinc/22/30/78/429223078.db2.gz NNRBADORNGUGGB-GXTWGEPZSA-N 1 0 321.377 2.551 20 5 DFBDRO C[C@@H]1[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000436362809 429198096 /nfs/dbraw/zinc/19/80/96/429198096.db2.gz QDTVVRQVHWJWIA-RKDXNWHRSA-N 1 0 318.299 2.903 20 5 DFBDRO C[N@@H+]1CCCC12CCN(c1c(F)cc([N+](=O)[O-])cc1F)CC2 ZINC000364857337 429267455 /nfs/dbraw/zinc/26/74/55/429267455.db2.gz PKMPRXDVRHWOBS-UHFFFAOYSA-N 1 0 311.332 2.938 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000364986224 429271581 /nfs/dbraw/zinc/27/15/81/429271581.db2.gz KNOYKPPIXJRLAB-SJKOYZFVSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[C@]1(O)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000490057827 429277387 /nfs/dbraw/zinc/27/73/87/429277387.db2.gz UDLPDYCVRFKDSD-INIZCTEOSA-N 1 0 301.346 2.803 20 5 DFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1(C)CCCC1 ZINC000490179508 429281058 /nfs/dbraw/zinc/28/10/58/429281058.db2.gz ALDAWFDQRRCHDD-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCCCC1 ZINC000449069156 429324150 /nfs/dbraw/zinc/32/41/50/429324150.db2.gz DXLCNRQQAWQHSZ-HNNXBMFYSA-N 1 0 305.422 2.991 20 5 DFBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142991 429341583 /nfs/dbraw/zinc/34/15/83/429341583.db2.gz PHHVTUYUTPVNQN-GOEBONIOSA-N 1 0 305.422 2.990 20 5 DFBDRO Cc1cccc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365370281 429307319 /nfs/dbraw/zinc/30/73/19/429307319.db2.gz UPBCZMYXKUNKNT-GDBMZVCRSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425513670 429314538 /nfs/dbraw/zinc/31/45/38/429314538.db2.gz OKZAXSSZVBIAAR-DZGCQCFKSA-N 1 0 315.377 2.893 20 5 DFBDRO CC(C)c1nnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449404666 429405207 /nfs/dbraw/zinc/40/52/07/429405207.db2.gz DLIRMENNGNQNDR-NSHDSACASA-N 1 0 303.366 2.557 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C/C=C/c3ccncc3)CC2)n1 ZINC000425969008 429354619 /nfs/dbraw/zinc/35/46/19/429354619.db2.gz VGFVIMBYKCOMLS-OWOJBTEDSA-N 1 0 313.361 2.537 20 5 DFBDRO CCn1nnc(C)c1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000449227107 429361570 /nfs/dbraw/zinc/36/15/70/429361570.db2.gz ONELXKOHPPIPLC-UHFFFAOYSA-N 1 0 323.784 2.500 20 5 DFBDRO CCCN1CCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449319136 429386251 /nfs/dbraw/zinc/38/62/51/429386251.db2.gz ITJCZQYBJKJAFG-HOCLYGCPSA-N 1 0 305.422 2.990 20 5 DFBDRO Cc1ccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)cc1[N+](=O)[O-] ZINC000366448664 429454439 /nfs/dbraw/zinc/45/44/39/429454439.db2.gz DFXVXIWPALDABA-PBHICJAKSA-N 1 0 320.389 2.673 20 5 DFBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@@]2(CCCOC2)O1 ZINC000366466036 429457891 /nfs/dbraw/zinc/45/78/91/429457891.db2.gz PVVZEPULIGEHSD-QGZVFWFLSA-N 1 0 320.389 2.755 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC23CCCC3)c([N+](=O)[O-])c1 ZINC000366103656 429419356 /nfs/dbraw/zinc/41/93/56/429419356.db2.gz LZYHIUQFEPPCFB-UHFFFAOYSA-N 1 0 303.362 2.602 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457213738 429427722 /nfs/dbraw/zinc/42/77/22/429427722.db2.gz ZFMBSAVQSDINIW-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@](C)(C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449477227 429429318 /nfs/dbraw/zinc/42/93/18/429429318.db2.gz OQPWNWINIHJRFS-MLGOLLRUSA-N 1 0 323.393 2.717 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000449498426 429434866 /nfs/dbraw/zinc/43/48/66/429434866.db2.gz LHXRHKWGZMGJIJ-WFASDCNBSA-N 1 0 308.378 2.850 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000449688205 429481214 /nfs/dbraw/zinc/48/12/14/429481214.db2.gz TWKVVCYKAKWUEC-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748924 429506628 /nfs/dbraw/zinc/50/66/28/429506628.db2.gz CPCRJJYEPQQZNQ-UONOGXRCSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000366753111 429507665 /nfs/dbraw/zinc/50/76/65/429507665.db2.gz XENFRXDGFBSMGL-ZFWWWQNUSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC1(C)C ZINC000449784627 429510829 /nfs/dbraw/zinc/51/08/29/429510829.db2.gz XRSDSTNSCFPMDZ-AWEZNQCLSA-N 1 0 305.422 2.990 20 5 DFBDRO CC1(C)CC[C@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000331403175 275830746 /nfs/dbraw/zinc/83/07/46/275830746.db2.gz PRXNIBUEWRIPFI-ZDUSSCGKSA-N 1 0 304.394 2.691 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC[C@@H]1CCCO1)CCC2 ZINC000521536358 429555451 /nfs/dbraw/zinc/55/54/51/429555451.db2.gz ZBCQAWJEQNUOIB-RDJZCZTQSA-N 1 0 320.389 2.757 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492585533 429572056 /nfs/dbraw/zinc/57/20/56/429572056.db2.gz XMILZEGIIMVNJX-ZIAGYGMSSA-N 1 0 321.421 2.908 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCc2cn[nH]c2)c2cc([N+](=O)[O-])ccc21 ZINC000289851235 275867565 /nfs/dbraw/zinc/86/75/65/275867565.db2.gz QLQGVVDHTRZEMQ-HNNXBMFYSA-N 1 0 300.362 2.873 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000522191850 429586011 /nfs/dbraw/zinc/58/60/11/429586011.db2.gz DWFXNEQXFIUKKL-ZDUSSCGKSA-N 1 0 320.393 2.755 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492661050 429588648 /nfs/dbraw/zinc/58/86/48/429588648.db2.gz ZZCSLBIEHQQTBK-GJZGRUSLSA-N 1 0 320.389 2.994 20 5 DFBDRO COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908107 429538243 /nfs/dbraw/zinc/53/82/43/429538243.db2.gz CCPVVWABSMBRFB-LRDDRELGSA-N 1 0 322.336 2.509 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCO[C@@H]3CCC[C@H]32)c1 ZINC000366934705 429544271 /nfs/dbraw/zinc/54/42/71/429544271.db2.gz CJARFFCYUXBFQG-HZPDHXFCSA-N 1 0 306.362 2.617 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000521231299 429544631 /nfs/dbraw/zinc/54/46/31/429544631.db2.gz DCUPTUHZKTUAHA-HNNXBMFYSA-N 1 0 313.357 2.988 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429575689 429618071 /nfs/dbraw/zinc/61/80/71/429618071.db2.gz AFXHXWTVBFWMJX-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429575683 429618252 /nfs/dbraw/zinc/61/82/52/429618252.db2.gz AFXHXWTVBFWMJX-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1cccc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000450546295 429645303 /nfs/dbraw/zinc/64/53/03/429645303.db2.gz GMDXXBIJQLSZCO-ZDUSSCGKSA-N 1 0 319.405 2.914 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000366470817 275949755 /nfs/dbraw/zinc/94/97/55/275949755.db2.gz KQBSYKZKIZYUHZ-AWEZNQCLSA-N 1 0 317.389 2.862 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)nc1 ZINC000450556603 429647241 /nfs/dbraw/zinc/64/72/41/429647241.db2.gz AYOMREOPJUJTOZ-NSHDSACASA-N 1 0 312.320 2.521 20 5 DFBDRO CCC[NH+]1CCC(N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000450289997 429593253 /nfs/dbraw/zinc/59/32/53/429593253.db2.gz CMPSBTAGVUFNFA-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450279958 429593506 /nfs/dbraw/zinc/59/35/06/429593506.db2.gz VVLBVVAOLJRHNS-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DFBDRO CC(C)[N@H+](C)CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450305074 429596104 /nfs/dbraw/zinc/59/61/04/429596104.db2.gz UWHZDRUOVPPNHM-UHFFFAOYSA-N 1 0 320.418 3.470 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000450353351 429606446 /nfs/dbraw/zinc/60/64/46/429606446.db2.gz YOAKRWUWQMATKV-NWDGAFQWSA-N 1 0 317.393 2.780 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)C1CCOCC1 ZINC000430200125 429660396 /nfs/dbraw/zinc/66/03/96/429660396.db2.gz FUEGRCVRMLIUBO-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000430205184 429662401 /nfs/dbraw/zinc/66/24/01/429662401.db2.gz IYLHZHIBUSCWJB-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210553 429662820 /nfs/dbraw/zinc/66/28/20/429662820.db2.gz DOKSDCSJMFAVAQ-GOEBONIOSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218476 429664253 /nfs/dbraw/zinc/66/42/53/429664253.db2.gz LZDKXKHZYOTPEY-GJZGRUSLSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357050205 276052988 /nfs/dbraw/zinc/05/29/88/276052988.db2.gz LXJUKARBAVKULU-HUUCEWRRSA-N 1 0 303.406 2.760 20 5 DFBDRO CC(C)c1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000245723052 276053038 /nfs/dbraw/zinc/05/30/38/276053038.db2.gz IGKWUEQAUSEYPP-HNNXBMFYSA-N 1 0 303.406 2.998 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000367588799 429678667 /nfs/dbraw/zinc/67/86/67/429678667.db2.gz XQHYEFYHFFXDOU-RHSMWYFYSA-N 1 0 303.406 2.696 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274723736 276207034 /nfs/dbraw/zinc/20/70/34/276207034.db2.gz AQRGPTSWLSSIKY-JTQLQIEISA-N 1 0 309.366 2.709 20 5 DFBDRO CC[NH2+]CC1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000262074115 276264411 /nfs/dbraw/zinc/26/44/11/276264411.db2.gz GKSYUDHLGGWOMR-UHFFFAOYSA-N 1 0 311.357 2.568 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000354986801 276340596 /nfs/dbraw/zinc/34/05/96/276340596.db2.gz YIUBPLZDRBLXGK-UKPHBRMFSA-N 1 0 322.405 2.700 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000450828041 429709140 /nfs/dbraw/zinc/70/91/40/429709140.db2.gz JDOFPKXHHUKFPW-BXKDBHETSA-N 1 0 316.317 2.696 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000493198357 429710005 /nfs/dbraw/zinc/71/00/05/429710005.db2.gz ZPNVPJHGKOGFRA-YXZYKRAASA-N 1 0 312.329 2.627 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000450865992 429716294 /nfs/dbraw/zinc/71/62/94/429716294.db2.gz XGNBXAPODOOVHD-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO CCOc1cc(N(C)[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000450951578 429736048 /nfs/dbraw/zinc/73/60/48/429736048.db2.gz GIPWFXOOSHJUAW-CQSZACIVSA-N 1 0 307.394 2.912 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000493395972 429753033 /nfs/dbraw/zinc/75/30/33/429753033.db2.gz YDMWGMAWSKUELY-WAFBPQNNSA-N 1 0 323.368 2.592 20 5 DFBDRO C[C@@H]1[C@@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000451142148 429774898 /nfs/dbraw/zinc/77/48/98/429774898.db2.gz FTSAJIJOSKSMOH-HBNTYKKESA-N 1 0 320.315 2.843 20 5 DFBDRO CS[C@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000432332256 429815149 /nfs/dbraw/zinc/81/51/49/429815149.db2.gz VWKRPDRQIBYWJY-RYUDHWBXSA-N 1 0 315.826 2.730 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C(N)=O)C[C@H]2CCCC[C@@H]21 ZINC000368236268 429815231 /nfs/dbraw/zinc/81/52/31/429815231.db2.gz SSSXMNJFVWIOSB-KCXAZCMYSA-N 1 0 317.389 2.522 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccnc2c1cccc2[N+](=O)[O-] ZINC000432336665 429816017 /nfs/dbraw/zinc/81/60/17/429816017.db2.gz OIHQLLLZRBJATC-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451483687 429834282 /nfs/dbraw/zinc/83/42/82/429834282.db2.gz BGRJPLMQXLFLLA-KGLIPLIRSA-N 1 0 312.341 2.646 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000451485348 429834963 /nfs/dbraw/zinc/83/49/63/429834963.db2.gz COSZJOKDPUMKBQ-CHWSQXEVSA-N 1 0 300.305 2.776 20 5 DFBDRO CCO[C@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@@H]1C ZINC000451524946 429842056 /nfs/dbraw/zinc/84/20/56/429842056.db2.gz FMDRXMARRVIBKY-NHYWBVRUSA-N 1 0 318.377 2.718 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000432810755 429842897 /nfs/dbraw/zinc/84/28/97/429842897.db2.gz ATPOENOJGQMVNR-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000493888395 429847055 /nfs/dbraw/zinc/84/70/55/429847055.db2.gz MJPBGKPSEMWJKP-BETUJISGSA-N 1 0 307.394 2.564 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000432881083 429847246 /nfs/dbraw/zinc/84/72/46/429847246.db2.gz PSSKVUMPPFGRKN-CQSZACIVSA-N 1 0 307.394 2.816 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@@H]21 ZINC000368481705 429854646 /nfs/dbraw/zinc/85/46/46/429854646.db2.gz IDKIYSXCQYBJDU-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO CCN(Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)c1cccc(O)c1 ZINC000494580868 429881255 /nfs/dbraw/zinc/88/12/55/429881255.db2.gz SINKDAXKTNAONA-NSHDSACASA-N 1 0 304.350 2.617 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(n2cccn2)CC1 ZINC000369119592 429913910 /nfs/dbraw/zinc/91/39/10/429913910.db2.gz LRJIKJGICGKRRL-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO C[C@@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000573488687 429956241 /nfs/dbraw/zinc/95/62/41/429956241.db2.gz BUNBSQUJIWDULX-DGCLKSJQSA-N 1 0 304.394 2.669 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000573582919 429962700 /nfs/dbraw/zinc/96/27/00/429962700.db2.gz SNWCVTKWWDNVCS-LBPRGKRZSA-N 1 0 303.362 2.776 20 5 DFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000560483718 430049239 /nfs/dbraw/zinc/04/92/39/430049239.db2.gz HNRXMMFIMGNUBG-ONGXEEELSA-N 1 0 319.386 2.761 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146697 430014892 /nfs/dbraw/zinc/01/48/92/430014892.db2.gz FKQHKTUFMBGDQQ-BBRMVZONSA-N 1 0 319.405 2.689 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000535720908 430167480 /nfs/dbraw/zinc/16/74/80/430167480.db2.gz FCPQGZCLOBOPKS-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299574 430117641 /nfs/dbraw/zinc/11/76/41/430117641.db2.gz LSAHEGSHFWSIHE-KGLIPLIRSA-N 1 0 319.405 2.545 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000073996029 277215147 /nfs/dbraw/zinc/21/51/47/277215147.db2.gz GFRVXVUPVIDBEY-NWDGAFQWSA-N 1 0 323.780 2.557 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000566233767 430250237 /nfs/dbraw/zinc/25/02/37/430250237.db2.gz CGGYPEDMUSVVJW-NXEZZACHSA-N 1 0 306.391 3.256 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H](CO)Cc1ccco1 ZINC000566475655 430263952 /nfs/dbraw/zinc/26/39/52/430263952.db2.gz OCDGOSNLDUWLNR-WBMJQRKESA-N 1 0 316.357 2.616 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000566679581 430271686 /nfs/dbraw/zinc/27/16/86/430271686.db2.gz ZNSVULKIQOBUAM-MNOVXSKESA-N 1 0 318.352 3.334 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000544188814 430276009 /nfs/dbraw/zinc/27/60/09/430276009.db2.gz IOVMOTBBHAUHKS-HIFRSBDPSA-N 1 0 322.405 2.703 20 5 DFBDRO CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC)[NH+](CC)CC ZINC000582303796 430287351 /nfs/dbraw/zinc/28/73/51/430287351.db2.gz NSCLSZVQTOIBBF-AWEZNQCLSA-N 1 0 308.382 2.695 20 5 DFBDRO C[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000582460907 430301269 /nfs/dbraw/zinc/30/12/69/430301269.db2.gz ABTIAYXTGPAMRC-ZDUSSCGKSA-N 1 0 319.405 2.641 20 5 DFBDRO COc1ccc(OCc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000567986690 430302594 /nfs/dbraw/zinc/30/25/94/430302594.db2.gz BEEXIGZZCLJMDY-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000582503774 430307429 /nfs/dbraw/zinc/30/74/29/430307429.db2.gz UBLQQFSWSJUKQI-CJNGLKHVSA-N 1 0 319.405 2.689 20 5 DFBDRO CCc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1[N+](=O)[O-] ZINC000568150630 430320885 /nfs/dbraw/zinc/32/08/85/430320885.db2.gz OTDCEVININKLAD-UHFFFAOYSA-N 1 0 317.389 2.501 20 5 DFBDRO CC(C)(C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000583258104 430378711 /nfs/dbraw/zinc/37/87/11/430378711.db2.gz GUJTZPRVNFAUEY-AWEZNQCLSA-N 1 0 322.405 2.750 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000271344043 277622198 /nfs/dbraw/zinc/62/21/98/277622198.db2.gz DODFQQFMGCJKJS-IUODEOHRSA-N 1 0 306.362 2.931 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583510461 430403314 /nfs/dbraw/zinc/40/33/14/430403314.db2.gz SDBNIGGVNANXTB-HNNXBMFYSA-N 1 0 319.405 2.820 20 5 DFBDRO Cc1c(CN2CCc3ccccc3[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000583935055 430441928 /nfs/dbraw/zinc/44/19/28/430441928.db2.gz MJZWENPDKKUNRL-GOSISDBHSA-N 1 0 311.385 2.961 20 5 DFBDRO CCO[C@@H]1C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973568 430445632 /nfs/dbraw/zinc/44/56/32/430445632.db2.gz SBOBNXDXSLSKKT-UONOGXRCSA-N 1 0 319.386 2.985 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CC12CCOCC2 ZINC000569623092 430472515 /nfs/dbraw/zinc/47/25/15/430472515.db2.gz KZHROKAJYREXQK-WFASDCNBSA-N 1 0 302.374 2.988 20 5 DFBDRO C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000569659258 430473470 /nfs/dbraw/zinc/47/34/70/430473470.db2.gz CJTDPJOAPGTOEI-HIFRSBDPSA-N 1 0 319.405 2.641 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000548416230 430473569 /nfs/dbraw/zinc/47/35/69/430473569.db2.gz JLISQZFAWUKERE-NSHDSACASA-N 1 0 324.356 2.586 20 5 DFBDRO O=C(CC[NH2+]Cc1cccc(F)c1)Nc1ccccc1[N+](=O)[O-] ZINC000548761123 430499585 /nfs/dbraw/zinc/49/95/85/430499585.db2.gz ANODFGXUOQVFKF-UHFFFAOYSA-N 1 0 317.320 2.852 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043457 430508059 /nfs/dbraw/zinc/50/80/59/430508059.db2.gz XTJDYUBRDJUDEM-HUUCEWRRSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000570043459 430508414 /nfs/dbraw/zinc/50/84/14/430508414.db2.gz XTJDYUBRDJUDEM-LSDHHAIUSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000552080205 430582974 /nfs/dbraw/zinc/58/29/74/430582974.db2.gz OSOZHZYKUAHLLA-NSHDSACASA-N 1 0 311.332 2.543 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000552080204 430583737 /nfs/dbraw/zinc/58/37/37/430583737.db2.gz OSOZHZYKUAHLLA-LLVKDONJSA-N 1 0 311.332 2.543 20 5 DFBDRO C[C@@H](CN[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+](C)C ZINC000571171147 430609377 /nfs/dbraw/zinc/60/93/77/430609377.db2.gz DJSRFPCDWORZOJ-GXFFZTMASA-N 1 0 319.327 2.986 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(C3CC3)C1)CCC2 ZINC000571193344 430611633 /nfs/dbraw/zinc/61/16/33/430611633.db2.gz FMMHSHODMVFHSU-SUMWQHHRSA-N 1 0 301.390 2.799 20 5 DFBDRO C[C@H]1CCN(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507159 430633408 /nfs/dbraw/zinc/63/34/08/430633408.db2.gz SCIUIHRQAGFLAV-SUMWQHHRSA-N 1 0 303.406 2.904 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000571520239 430634527 /nfs/dbraw/zinc/63/45/27/430634527.db2.gz JIXRTENEFYDRNK-AWEZNQCLSA-N 1 0 313.357 2.988 20 5 DFBDRO COc1cccc(N2CC[C@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292659399 278016808 /nfs/dbraw/zinc/01/68/08/278016808.db2.gz CFVDWEYUCLHOKS-MRXNPFEDSA-N 1 0 305.378 2.526 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000188927161 278030764 /nfs/dbraw/zinc/03/07/64/278030764.db2.gz RISUACMLFBQAMD-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000182253775 278173756 /nfs/dbraw/zinc/17/37/56/278173756.db2.gz XJGGGBWDYYXDNB-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H](CCNc1ncc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000273639315 278234206 /nfs/dbraw/zinc/23/42/06/278234206.db2.gz RUXJIRRVTPLWBV-ZDUSSCGKSA-N 1 0 315.377 2.707 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000185422086 278255662 /nfs/dbraw/zinc/25/56/62/278255662.db2.gz AJBJZQIFPCEMJI-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO C[S@](=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000282336952 278573781 /nfs/dbraw/zinc/57/37/81/278573781.db2.gz OMLCMKXBDFMWRC-PEBXRYMYSA-N 1 0 322.430 2.818 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000365665265 278931366 /nfs/dbraw/zinc/93/13/66/278931366.db2.gz AVPKOAIBYJGJLG-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358268704 288089086 /nfs/dbraw/zinc/08/90/86/288089086.db2.gz SLXJZYVMRVRFBU-KKUMJFAQSA-N 1 0 305.378 2.550 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286575097 279088918 /nfs/dbraw/zinc/08/89/18/279088918.db2.gz XVFKVKJHUSTGDH-YPMHNXCESA-N 1 0 320.349 2.566 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133491256 279309174 /nfs/dbraw/zinc/30/91/74/279309174.db2.gz WPLVWIAIYQLEMG-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237554634 279417699 /nfs/dbraw/zinc/41/76/99/279417699.db2.gz NPFCFDXBZSAZSM-TVQRCGJNSA-N 1 0 311.769 2.590 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C[NH3+] ZINC000262552247 279728932 /nfs/dbraw/zinc/72/89/32/279728932.db2.gz SREOSCNYFCBKKI-RYUDHWBXSA-N 1 0 300.362 2.564 20 5 DFBDRO O=C(N[C@@H]1CCC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000238122781 279882034 /nfs/dbraw/zinc/88/20/34/279882034.db2.gz YBBHOLYQBQEQOW-CQSZACIVSA-N 1 0 305.381 2.870 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000216192270 279992565 /nfs/dbraw/zinc/99/25/65/279992565.db2.gz RJYYPYNOQQAWMN-DTWKUNHWSA-N 1 0 314.183 2.531 20 5 DFBDRO Cc1c(NC(=O)NCC[N@@H+](C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000105293593 280244232 /nfs/dbraw/zinc/24/42/32/280244232.db2.gz YEVIAJHXHOQNRL-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1c(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000079085371 280244500 /nfs/dbraw/zinc/24/45/00/280244500.db2.gz FSPSZHDMGRVRRP-LBPRGKRZSA-N 1 0 320.393 2.899 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094368158 280364427 /nfs/dbraw/zinc/36/44/27/280364427.db2.gz ACNIAWOHZFNKPS-HIFRSBDPSA-N 1 0 308.403 2.739 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000178234461 281010982 /nfs/dbraw/zinc/01/09/82/281010982.db2.gz ZVBMTWHPKQQKOW-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249750169 281195158 /nfs/dbraw/zinc/19/51/58/281195158.db2.gz QGNGAPLMHJYTQB-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000291524958 281257812 /nfs/dbraw/zinc/25/78/12/281257812.db2.gz MSWJYEGSBLAYKC-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1ccccc1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000266949652 281366320 /nfs/dbraw/zinc/36/63/20/281366320.db2.gz ZHEPPKHQTMZAET-CQSZACIVSA-N 1 0 300.362 2.589 20 5 DFBDRO Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174869495 281397372 /nfs/dbraw/zinc/39/73/72/281397372.db2.gz ZDWIZWSXWUVSOS-CABCVRRESA-N 1 0 314.389 2.978 20 5 DFBDRO Cc1ccnc(N2CC[NH+](CCC(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000301308578 281457806 /nfs/dbraw/zinc/45/78/06/281457806.db2.gz WSVLJLIRWFZKSL-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363414798 289092004 /nfs/dbraw/zinc/09/20/04/289092004.db2.gz RPEPYALUFCZZRG-PVAVHDDUSA-N 1 0 301.390 2.511 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000415702144 289121372 /nfs/dbraw/zinc/12/13/72/289121372.db2.gz PAWROLMEUNIVFO-GFCCVEGCSA-N 1 0 320.393 2.766 20 5 DFBDRO C[NH2+][C@@H](C)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704223 289122217 /nfs/dbraw/zinc/12/22/17/289122217.db2.gz RSQAERFSMHVXNB-JTQLQIEISA-N 1 0 308.382 2.622 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415732544 289127530 /nfs/dbraw/zinc/12/75/30/289127530.db2.gz AKNSLVVTIJETKC-NWDGAFQWSA-N 1 0 306.366 2.549 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415766737 289133145 /nfs/dbraw/zinc/13/31/45/289133145.db2.gz SQAQNZNHVPFVTH-MRXNPFEDSA-N 1 0 320.393 2.668 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415766354 289133314 /nfs/dbraw/zinc/13/33/14/289133314.db2.gz SFVUWDSVXIWOTH-UHFFFAOYSA-N 1 0 306.366 2.550 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415770919 289134027 /nfs/dbraw/zinc/13/40/27/289134027.db2.gz ZGABFMZINQDFKS-YPMHNXCESA-N 1 0 320.393 2.606 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435750671 296972100 /nfs/dbraw/zinc/97/21/00/296972100.db2.gz OEUWPSLRPJDXQK-LBPRGKRZSA-N 1 0 317.345 2.555 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000436059239 296985288 /nfs/dbraw/zinc/98/52/88/296985288.db2.gz KMGOWFFUYVMRGN-STQMWFEESA-N 1 0 307.394 2.564 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000437101135 297054371 /nfs/dbraw/zinc/05/43/71/297054371.db2.gz CHPMLIYBUDAABZ-GFCCVEGCSA-N 1 0 323.393 2.717 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000156250997 295333429 /nfs/dbraw/zinc/33/34/29/295333429.db2.gz RBMVVUCHPBZTLD-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO CC[NH+]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000157426696 295348022 /nfs/dbraw/zinc/34/80/22/295348022.db2.gz LTICRUPSVITNCM-UHFFFAOYSA-N 1 0 315.373 2.992 20 5 DFBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000157896191 295355270 /nfs/dbraw/zinc/35/52/70/295355270.db2.gz CXDQVXXWCRXWPH-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000411969467 295572140 /nfs/dbraw/zinc/57/21/40/295572140.db2.gz LOHRNQXRCFSJHO-QFYYESIMSA-N 1 0 318.377 2.764 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411969171 295572323 /nfs/dbraw/zinc/57/23/23/295572323.db2.gz LGCFCXGPYGCEOM-MEDUHNTESA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411975883 295572549 /nfs/dbraw/zinc/57/25/49/295572549.db2.gz VVHITWNXFVSGGU-BZNIZROVSA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)c1 ZINC000412010317 295576293 /nfs/dbraw/zinc/57/62/93/295576293.db2.gz IDVULHQKJJBLJE-UHFFFAOYSA-N 1 0 316.401 2.872 20 5 DFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000292233748 297084640 /nfs/dbraw/zinc/08/46/40/297084640.db2.gz IYWSTZVBYUNELF-NSHDSACASA-N 1 0 324.812 2.954 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438485747 297094739 /nfs/dbraw/zinc/09/47/39/297094739.db2.gz FHDISPXMSDIVFV-OLZOCXBDSA-N 1 0 305.378 2.900 20 5 DFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000441265625 297177694 /nfs/dbraw/zinc/17/76/94/297177694.db2.gz ZOLXMGVHOXTGQI-JSGCOSHPSA-N 1 0 304.350 2.518 20 5 DFBDRO COC[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444680658 297244531 /nfs/dbraw/zinc/24/45/31/297244531.db2.gz GOECJUKIMNGIGD-LBPRGKRZSA-N 1 0 318.377 2.720 20 5 DFBDRO C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO[C@@H]1C1CC1 ZINC000444688338 297244931 /nfs/dbraw/zinc/24/49/31/297244931.db2.gz JDVHREWUKQMCRY-HZPDHXFCSA-N 1 0 316.361 2.518 20 5 DFBDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446832510 297287535 /nfs/dbraw/zinc/28/75/35/297287535.db2.gz BRHDZZJLUAZZMQ-WCQYABFASA-N 1 0 318.377 2.766 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CCOCC2)n1 ZINC000447533232 297306968 /nfs/dbraw/zinc/30/69/68/297306968.db2.gz ZQFAHDGOCOSBEM-LSDHHAIUSA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1csc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000447531424 297307022 /nfs/dbraw/zinc/30/70/22/297307022.db2.gz RBFIDEUDBFGJOC-NWDGAFQWSA-N 1 0 321.406 2.830 20 5 DFBDRO COCCOC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447585801 297309628 /nfs/dbraw/zinc/30/96/28/297309628.db2.gz LOHGXLIYIMVTIU-BLLLJJGKSA-N 1 0 308.378 2.613 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CC(F)(F)C2)n1 ZINC000447597179 297309924 /nfs/dbraw/zinc/30/99/24/297309924.db2.gz FQMKFZXTENIPCX-QWRGUYRKSA-N 1 0 300.309 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CC(F)F)CCC2 ZINC000447602667 297310333 /nfs/dbraw/zinc/31/03/33/297310333.db2.gz VBKOQVIMFIJEFT-ZWNOBZJWSA-N 1 0 300.305 2.578 20 5 DFBDRO CCC(O)(CC)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600639 297310382 /nfs/dbraw/zinc/31/03/82/297310382.db2.gz NICIFUUSVPXMJY-KBPBESRZSA-N 1 0 324.425 2.806 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])c(N)c1F ZINC000447811834 297317925 /nfs/dbraw/zinc/31/79/25/297317925.db2.gz IETBWVCVSWOCLN-GFCCVEGCSA-N 1 0 310.373 2.848 20 5 DFBDRO COCCN(Cc1cncs1)Cc1ccccc1[N+](=O)[O-] ZINC000447852306 297321264 /nfs/dbraw/zinc/32/12/64/297321264.db2.gz ZQPGZIDCEHHTKK-UHFFFAOYSA-N 1 0 307.375 2.700 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C(F)F ZINC000449101975 297405573 /nfs/dbraw/zinc/40/55/73/297405573.db2.gz WOFIBQGDHUSPGH-SNVBAGLBSA-N 1 0 310.304 2.907 20 5 DFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131089 297410590 /nfs/dbraw/zinc/41/05/90/297410590.db2.gz JYUKWZKPNAVIQX-NWDGAFQWSA-N 1 0 302.378 2.919 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC1CCOCC1 ZINC000449155275 297414600 /nfs/dbraw/zinc/41/46/00/297414600.db2.gz ARLNXDXOZAPRSK-CQSZACIVSA-N 1 0 322.405 2.701 20 5 DFBDRO Cc1nc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000449199840 297421747 /nfs/dbraw/zinc/42/17/47/297421747.db2.gz APUJISKSDRYHAU-LLVKDONJSA-N 1 0 303.362 2.963 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1C(C)(C)C ZINC000449304304 297441616 /nfs/dbraw/zinc/44/16/16/297441616.db2.gz ALVCVGDMZPVYRP-GFCCVEGCSA-N 1 0 317.393 2.662 20 5 DFBDRO COc1cc(C[NH2+]CCCC2CCOCC2)c([N+](=O)[O-])cc1O ZINC000449354909 297452464 /nfs/dbraw/zinc/45/24/64/297452464.db2.gz SPWBMUYAESQWLE-UHFFFAOYSA-N 1 0 324.377 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000450353822 297617434 /nfs/dbraw/zinc/61/74/34/297617434.db2.gz HDAZTFUKTARTCM-CYBMUJFWSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000451109771 297749394 /nfs/dbraw/zinc/74/93/94/297749394.db2.gz ZBQJQQVPJXPAEJ-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451483696 297813717 /nfs/dbraw/zinc/81/37/17/297813717.db2.gz BGRJPLMQXLFLLA-ZIAGYGMSSA-N 1 0 312.341 2.646 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451483503 297813922 /nfs/dbraw/zinc/81/39/22/297813922.db2.gz XZQUSASJKOMQLZ-APHBMKBZSA-N 1 0 320.389 2.897 20 5 DFBDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373680 298087668 /nfs/dbraw/zinc/08/76/68/298087668.db2.gz SZDUKYUQTKYUSN-QWHCGFSZSA-N 1 0 324.425 2.662 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000453382964 298088605 /nfs/dbraw/zinc/08/86/05/298088605.db2.gz MGCCENOFIFJJJU-YQQAZPJKSA-N 1 0 304.390 2.667 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc21 ZINC000453402604 298090379 /nfs/dbraw/zinc/09/03/79/298090379.db2.gz CKMOIBQPNUCBHV-RHSMWYFYSA-N 1 0 317.389 2.576 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454352798 298160364 /nfs/dbraw/zinc/16/03/64/298160364.db2.gz HJVOOLCPLQXVJF-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454360089 298161748 /nfs/dbraw/zinc/16/17/48/298161748.db2.gz TWSQQGWIMZUOTE-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454630322 298210958 /nfs/dbraw/zinc/21/09/58/298210958.db2.gz KSPCSPIDUVFZRQ-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000455079785 298295961 /nfs/dbraw/zinc/29/59/61/298295961.db2.gz DFPMYFCCNMWCTI-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000497121915 300165186 /nfs/dbraw/zinc/16/51/86/300165186.db2.gz ANDORIISWCQGIJ-LBPRGKRZSA-N 1 0 323.393 2.988 20 5 DFBDRO C[C@H]1CN(c2ncc(Cl)cc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292168652 300302262 /nfs/dbraw/zinc/30/22/62/300302262.db2.gz DPMPJXYKPFGQRO-LLVKDONJSA-N 1 0 324.812 2.954 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000515498948 300310548 /nfs/dbraw/zinc/31/05/48/300310548.db2.gz LIESCRCOQGZQDW-IUODEOHRSA-N 1 0 320.389 2.756 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000516575503 300349730 /nfs/dbraw/zinc/34/97/30/300349730.db2.gz TYGBHXDGZUMAQI-BLLLJJGKSA-N 1 0 317.389 2.646 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000516663706 300354786 /nfs/dbraw/zinc/35/47/86/300354786.db2.gz YKKLBEKYTLMJDE-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC[C@H]3CCOC3)c2c1 ZINC000516816062 300361671 /nfs/dbraw/zinc/36/16/71/300361671.db2.gz GQTXMNYVBFSLHC-LBPRGKRZSA-N 1 0 303.362 2.635 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@@H]1CCCO1 ZINC000526046414 300619280 /nfs/dbraw/zinc/61/92/80/300619280.db2.gz DHPVTZZLOTUEIN-QXSWTLKVSA-N 1 0 320.389 2.783 20 5 DFBDRO CC(C)n1nccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000527518177 300657411 /nfs/dbraw/zinc/65/74/11/300657411.db2.gz PZBBEVKPPYQNBJ-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO CCC(=O)c1ccc(NC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000530475008 301050433 /nfs/dbraw/zinc/05/04/33/301050433.db2.gz CSFGPEYMJKDBTB-GFCCVEGCSA-N 1 0 305.378 2.941 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCOCC1 ZINC000530626855 301060549 /nfs/dbraw/zinc/06/05/49/301060549.db2.gz NWGHRIZQGWGTST-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO COC(=O)CCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000531239879 301086766 /nfs/dbraw/zinc/08/67/66/301086766.db2.gz OQBWTVQZKUWNAP-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CO[C@H]1CCOC1 ZINC000532232916 301138445 /nfs/dbraw/zinc/13/84/45/301138445.db2.gz FUBICMNLVMUECB-YDHLFZDLSA-N 1 0 308.378 2.748 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279278 301141825 /nfs/dbraw/zinc/14/18/25/301141825.db2.gz BMACDAFSPSGMNK-STQMWFEESA-N 1 0 304.346 2.690 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000532323451 301145005 /nfs/dbraw/zinc/14/50/05/301145005.db2.gz LQOILHFGNRHSHF-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532464644 301154169 /nfs/dbraw/zinc/15/41/69/301154169.db2.gz RJFVLJIJXISHCE-JQWIXIFHSA-N 1 0 317.311 2.882 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272969 301223280 /nfs/dbraw/zinc/22/32/80/301223280.db2.gz YQPBBUXWNJKPFC-OLZOCXBDSA-N 1 0 312.373 2.816 20 5 DFBDRO CCc1nc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000536854484 301291754 /nfs/dbraw/zinc/29/17/54/301291754.db2.gz VMPSASNRAPBSOY-LLVKDONJSA-N 1 0 304.350 2.742 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC1(C)C ZINC000536871225 301292041 /nfs/dbraw/zinc/29/20/41/301292041.db2.gz OHMWZJRGSXJWOS-NEPJUHHUSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCN1CCCC1=O ZINC000538712035 301329437 /nfs/dbraw/zinc/32/94/37/301329437.db2.gz WNFWCBLIJYMZOZ-ZDUSSCGKSA-N 1 0 305.378 2.518 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000539445703 301342467 /nfs/dbraw/zinc/34/24/67/301342467.db2.gz CTNHIKYWOYXVCU-NBUZRDOWSA-N 1 0 324.384 2.854 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000539493783 301343378 /nfs/dbraw/zinc/34/33/78/301343378.db2.gz XOQFMHZSFNXMIQ-HIFRSBDPSA-N 1 0 310.394 2.749 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000539882260 301353119 /nfs/dbraw/zinc/35/31/19/301353119.db2.gz MAFVOYXITORHPJ-NSHDSACASA-N 1 0 319.405 2.592 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1 ZINC000540184547 301359491 /nfs/dbraw/zinc/35/94/91/301359491.db2.gz QYXXBTHVGOERQB-JFILPPLUSA-N 1 0 317.389 2.563 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000548635152 301601757 /nfs/dbraw/zinc/60/17/57/301601757.db2.gz RZTJXBJKFTVXEW-QWHCGFSZSA-N 1 0 300.362 2.765 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[C@@H]1CC[NH2+]C1 ZINC000561264786 301930752 /nfs/dbraw/zinc/93/07/52/301930752.db2.gz RLTMBPDEBGYCKI-CYBMUJFWSA-N 1 0 316.336 2.594 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562949132 302016466 /nfs/dbraw/zinc/01/64/66/302016466.db2.gz HFRKDLGNAIFBLD-KGLIPLIRSA-N 1 0 319.405 2.812 20 5 DFBDRO CC(C)[NH2+]CCCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000563661455 302091288 /nfs/dbraw/zinc/09/12/88/302091288.db2.gz MGVNGJVJPZNQHG-UHFFFAOYSA-N 1 0 303.309 2.996 20 5 DFBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000564860147 302165378 /nfs/dbraw/zinc/16/53/78/302165378.db2.gz OCBPKVQGSOIPIX-DZGCQCFKSA-N 1 0 322.405 2.750 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000565992502 302251881 /nfs/dbraw/zinc/25/18/81/302251881.db2.gz ITPDEZLOLOCYCS-KDOFPFPSSA-N 1 0 314.385 2.892 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000566122101 302261744 /nfs/dbraw/zinc/26/17/44/302261744.db2.gz XRHVVVKLDGAZNQ-YOEHRIQHSA-N 1 0 320.389 2.503 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000566287127 302274693 /nfs/dbraw/zinc/27/46/93/302274693.db2.gz XJEIWQGVHKWEMP-GFCCVEGCSA-N 1 0 320.393 2.840 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000567367163 302354591 /nfs/dbraw/zinc/35/45/91/302354591.db2.gz WRXVIJWHIVIUAN-STQMWFEESA-N 1 0 322.409 2.696 20 5 DFBDRO COCC[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567523455 302366130 /nfs/dbraw/zinc/36/61/30/302366130.db2.gz JJUVTAFYQATTOZ-CZUORRHYSA-N 1 0 308.378 2.768 20 5 DFBDRO COC(=O)c1cc(OC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000567674657 302378578 /nfs/dbraw/zinc/37/85/78/302378578.db2.gz VXAYFRCMIURFSJ-HAQNSBGRSA-N 1 0 322.361 2.525 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000567686123 302379751 /nfs/dbraw/zinc/37/97/51/302379751.db2.gz XRFCEBKPOPOYED-KDOFPFPSSA-N 1 0 314.385 2.892 20 5 DFBDRO CC(C)[NH2+]CCCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000569087345 302497565 /nfs/dbraw/zinc/49/75/65/302497565.db2.gz ONQUYQZSGPAMLS-UHFFFAOYSA-N 1 0 317.187 2.552 20 5 DFBDRO C[C@H]1CSC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569554281 302524965 /nfs/dbraw/zinc/52/49/65/302524965.db2.gz ZXJGJWFQJZHKHF-ZUZCIYMTSA-N 1 0 305.403 2.960 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1C[C@H]1C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000569837780 302540694 /nfs/dbraw/zinc/54/06/94/302540694.db2.gz YJAIQSFVOVVLLN-KBPBESRZSA-N 1 0 317.389 2.949 20 5 DFBDRO CCCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])[C@@H]1CC[NH2+]C1 ZINC000571873918 302635730 /nfs/dbraw/zinc/63/57/30/302635730.db2.gz JTOGHXZNXJQKHC-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574182709 302745396 /nfs/dbraw/zinc/74/53/96/302745396.db2.gz GFGKEQONOVJVKX-OAHLLOKOSA-N 1 0 309.797 2.824 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000301738915 304800013 /nfs/dbraw/zinc/80/00/13/304800013.db2.gz JHTQBYDMPFZKSC-LBPRGKRZSA-N 1 0 310.785 2.708 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+](C1CCC1)C1CCC1 ZINC000292274688 304808316 /nfs/dbraw/zinc/80/83/16/304808316.db2.gz BGYRZLGOMKSBDK-HNNXBMFYSA-N 1 0 320.389 2.742 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173372279 315956786 /nfs/dbraw/zinc/95/67/86/315956786.db2.gz NAFGJTDXDYSCTN-VCANKDNSSA-N 1 0 305.378 2.693 20 5 DFBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181903722 316077465 /nfs/dbraw/zinc/07/74/65/316077465.db2.gz XKCUPFJRUCXHOM-CABCVRRESA-N 1 0 322.405 2.989 20 5 DFBDRO CC[C@]1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181928902 316078561 /nfs/dbraw/zinc/07/85/61/316078561.db2.gz XNMWKRJEHXQSKM-WMLDXEAASA-N 1 0 322.405 2.847 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414567398 316632233 /nfs/dbraw/zinc/63/22/33/316632233.db2.gz YBLFCLHHFNSPDU-ZBFHGGJFSA-N 1 0 322.405 2.595 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3CC[C@@H]4C[NH2+]C[C@@H]43)o2)c1 ZINC000414787823 316656765 /nfs/dbraw/zinc/65/67/65/316656765.db2.gz LQAONCLOLKYTIZ-CJNGLKHVSA-N 1 0 313.357 2.649 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000421853293 316774956 /nfs/dbraw/zinc/77/49/56/316774956.db2.gz IWQKBRBXJLXPFV-IHRRRGAJSA-N 1 0 319.405 2.846 20 5 DFBDRO CC(C)(C)NC(=O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433168104 316884984 /nfs/dbraw/zinc/88/49/84/316884984.db2.gz QHEGCNUUDYJHRE-AWEZNQCLSA-N 1 0 319.405 2.822 20 5 DFBDRO C[NH+](C)CC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450260116 317076048 /nfs/dbraw/zinc/07/60/48/317076048.db2.gz IKJIIPOEMKHXLV-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CN(C(=O)C[NH2+][C@H]1CCC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451463622 317116687 /nfs/dbraw/zinc/11/66/87/317116687.db2.gz XTSJLMRXJFMSJZ-HNNXBMFYSA-N 1 0 317.389 2.870 20 5 DFBDRO C[C@H](Cc1cnccn1)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000453202673 317169076 /nfs/dbraw/zinc/16/90/76/317169076.db2.gz ZDACJTNTSKYFEO-LLVKDONJSA-N 1 0 320.780 2.802 20 5 DFBDRO CC[C@](C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453291992 317176957 /nfs/dbraw/zinc/17/69/57/317176957.db2.gz CKPILIJUVRBTNC-VNHYZAJKSA-N 1 0 310.398 2.680 20 5 DFBDRO COc1cc(C[NH2+]CCC2CC(F)(F)C2)c([N+](=O)[O-])cc1O ZINC000453585058 317191059 /nfs/dbraw/zinc/19/10/59/317191059.db2.gz FXXIRPCIQCEKQK-UHFFFAOYSA-N 1 0 316.304 2.834 20 5 DFBDRO CC[N@H+](CCNc1c2ccccc2ncc1[N+](=O)[O-])C(C)C ZINC000488055850 317363994 /nfs/dbraw/zinc/36/39/94/317363994.db2.gz JIFLHICNOPMUBE-UHFFFAOYSA-N 1 0 302.378 2.707 20 5 DFBDRO C[C@@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000488085321 317365916 /nfs/dbraw/zinc/36/59/16/317365916.db2.gz SFOOUAQLYBBHFK-NEPJUHHUSA-N 1 0 312.373 2.602 20 5 DFBDRO C[C@H]1C[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000488085326 317366336 /nfs/dbraw/zinc/36/63/36/317366336.db2.gz SFOOUAQLYBBHFK-RYUDHWBXSA-N 1 0 312.373 2.602 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491826616 317593481 /nfs/dbraw/zinc/59/34/81/317593481.db2.gz AVFROOLQSIKKBQ-ZVTBTPLYSA-N 1 0 323.368 2.594 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513825423 317704272 /nfs/dbraw/zinc/70/42/72/317704272.db2.gz CAWYPLGPCBZZMD-NUEKZKHPSA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000573395950 318017836 /nfs/dbraw/zinc/01/78/36/318017836.db2.gz ZHZLFAVTKSUMSC-UWJYBYFXSA-N 1 0 313.304 2.555 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000573556700 318021592 /nfs/dbraw/zinc/02/15/92/318021592.db2.gz ZIZQDAHVOFDWSN-UHFFFAOYSA-N 1 0 311.407 2.564 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000573556407 318021785 /nfs/dbraw/zinc/02/17/85/318021785.db2.gz WOPUENRREXWGJT-OAHLLOKOSA-N 1 0 317.389 2.782 20 5 DFBDRO O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000574868703 318045789 /nfs/dbraw/zinc/04/57/89/318045789.db2.gz NYAPYCHUTTWXLL-MRXNPFEDSA-N 1 0 317.389 2.618 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000574875313 318046587 /nfs/dbraw/zinc/04/65/87/318046587.db2.gz XZCRQDAROROHKR-KKUMJFAQSA-N 1 0 320.389 2.599 20 5 DFBDRO [NH3+]CCN(Cc1ccc(F)cc1F)c1ccccc1[N+](=O)[O-] ZINC000575095679 318062863 /nfs/dbraw/zinc/06/28/63/318062863.db2.gz PLFRVKQOHAJBKW-UHFFFAOYSA-N 1 0 307.300 2.838 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2nccs2)n1 ZINC000575867599 318088237 /nfs/dbraw/zinc/08/82/37/318088237.db2.gz CGGNHDSXCIYFQJ-NWDGAFQWSA-N 1 0 321.406 2.564 20 5 DFBDRO CCn1ccnc1[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000575958618 318093960 /nfs/dbraw/zinc/09/39/60/318093960.db2.gz APDGYVCVWQRHSJ-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000576531104 318133187 /nfs/dbraw/zinc/13/31/87/318133187.db2.gz YMJPMXCDYMCWBZ-OAHLLOKOSA-N 1 0 313.357 2.963 20 5 DFBDRO CCC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000577408926 318191442 /nfs/dbraw/zinc/19/14/42/318191442.db2.gz KTUIHIZKPHGVLF-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3)CC2(C)C)cn1 ZINC000577817480 318217969 /nfs/dbraw/zinc/21/79/69/318217969.db2.gz JDRPICUVXPUDQJ-INIZCTEOSA-N 1 0 314.389 2.954 20 5 DFBDRO CN(CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)(F)F ZINC000577962926 318229571 /nfs/dbraw/zinc/22/95/71/318229571.db2.gz JSCXWJPVFJNOOS-LBPRGKRZSA-N 1 0 317.311 2.666 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578499404 318264853 /nfs/dbraw/zinc/26/48/53/318264853.db2.gz LNUCXRMOYJLRIY-IIAWOOMASA-N 1 0 322.405 2.750 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000578906173 318294700 /nfs/dbraw/zinc/29/47/00/318294700.db2.gz JWCRXJUVMAGIBB-LOWVWBTDSA-N 1 0 318.295 2.874 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946981 318296034 /nfs/dbraw/zinc/29/60/34/318296034.db2.gz CXVUTQKHJKYWJK-CJNGLKHVSA-N 1 0 319.405 2.641 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(OC)cccc2[N+](=O)[O-])C1 ZINC000579773173 318352549 /nfs/dbraw/zinc/35/25/49/318352549.db2.gz PDFVFYPMPWZXDN-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000579795837 318354008 /nfs/dbraw/zinc/35/40/08/318354008.db2.gz SIXJDEJJZWWUMJ-SOUVJXGZSA-N 1 0 324.425 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000579863426 318359539 /nfs/dbraw/zinc/35/95/39/318359539.db2.gz PSNSFIIHFQQCOU-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000579972177 318367597 /nfs/dbraw/zinc/36/75/97/318367597.db2.gz PHXHWFCHUUKIPA-HNNXBMFYSA-N 1 0 300.362 2.836 20 5 DFBDRO COc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000388662207 323331234 /nfs/dbraw/zinc/33/12/34/323331234.db2.gz GIXBJCXSWIPVIP-NSHDSACASA-N 1 0 311.357 2.885 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000580364293 323375209 /nfs/dbraw/zinc/37/52/09/323375209.db2.gz JOUQTHRSUJTXDL-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCSC[C@@H]2C2CC2)c1 ZINC000580404028 323379976 /nfs/dbraw/zinc/37/99/76/323379976.db2.gz GAENJCUARUAPPT-OAHLLOKOSA-N 1 0 308.403 2.801 20 5 DFBDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581603628 323547457 /nfs/dbraw/zinc/54/74/57/323547457.db2.gz JMSLNBPHWBVRMV-TZMCWYRMSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000582540144 323690734 /nfs/dbraw/zinc/69/07/34/323690734.db2.gz IWHMVIIPPHIILT-LRVUVFPRSA-N 1 0 319.405 2.687 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584341523 333804968 /nfs/dbraw/zinc/80/49/68/333804968.db2.gz UUXGGJIJZZYSBJ-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000584581009 337366845 /nfs/dbraw/zinc/36/68/45/337366845.db2.gz BQNHLLHAORMIFA-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294431493 534008155 /nfs/dbraw/zinc/00/81/55/534008155.db2.gz UUDUDNYKAHMHMT-NKFCBESUSA-N 1 0 305.378 2.785 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000302213276 534246851 /nfs/dbraw/zinc/24/68/51/534246851.db2.gz ZFMLFZSMZWNKGL-QWHCGFSZSA-N 1 0 321.377 2.666 20 5 DFBDRO Cc1nc(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)ncc1[N+](=O)[O-] ZINC000295572043 534487047 /nfs/dbraw/zinc/48/70/47/534487047.db2.gz RGYRXQYSCNPWST-NSHDSACASA-N 1 0 307.398 2.616 20 5 DFBDRO Cc1nc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000309921846 534498571 /nfs/dbraw/zinc/49/85/71/534498571.db2.gz WEJUCQCLFXKABL-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366423481 522974925 /nfs/dbraw/zinc/97/49/25/522974925.db2.gz VHOOWWKTISFENC-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc([N+](=O)[O-])ccc1Cl ZINC000317323796 534811243 /nfs/dbraw/zinc/81/12/43/534811243.db2.gz WGJIWNUQFOFIPV-QWRGUYRKSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608155 524941842 /nfs/dbraw/zinc/94/18/42/524941842.db2.gz LXISTTJEZVBHNE-GXTWGEPZSA-N 1 0 300.362 2.911 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1O ZINC000330700183 526731945 /nfs/dbraw/zinc/73/19/45/526731945.db2.gz GQKRDNLVDMNLCS-JKSUJKDBSA-N 1 0 306.406 2.866 20 5 DFBDRO Cc1n[nH]c(C2CC[NH+]([C@@H](C)c3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000364110435 526784940 /nfs/dbraw/zinc/78/49/40/526784940.db2.gz IHJOFSNNGHNZAA-NSHDSACASA-N 1 0 315.377 2.962 20 5 DFBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365097291 527361305 /nfs/dbraw/zinc/36/13/05/527361305.db2.gz YILDRYQKINFOJX-UKRRQHHQSA-N 1 0 323.780 2.592 20 5 DFBDRO CC(C)(O)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000305684203 527363266 /nfs/dbraw/zinc/36/32/66/527363266.db2.gz AAYZLNYFBBURSD-OAHLLOKOSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCN2 ZINC000365046075 527380116 /nfs/dbraw/zinc/38/01/16/527380116.db2.gz ABRYZLSVMYJXFO-NWDGAFQWSA-N 1 0 302.378 2.602 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)n1 ZINC000365800542 527407118 /nfs/dbraw/zinc/40/71/18/527407118.db2.gz PTYZTABETDZTLD-HZPDHXFCSA-N 1 0 312.373 2.984 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301504541 528019110 /nfs/dbraw/zinc/01/91/10/528019110.db2.gz GKIUAHLALDCIRJ-GFCCVEGCSA-N 1 0 311.357 2.503 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000297352150 528062336 /nfs/dbraw/zinc/06/23/36/528062336.db2.gz JNBRZDNTZUTTEN-LBPRGKRZSA-N 1 0 305.378 2.529 20 5 DFBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000302183088 528118613 /nfs/dbraw/zinc/11/86/13/528118613.db2.gz ZNTJLMMPDSWJKB-UHFFFAOYSA-N 1 0 306.322 2.567 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000299162731 528193079 /nfs/dbraw/zinc/19/30/79/528193079.db2.gz PLWPTHXERSDOIT-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)ccc1[N+](=O)[O-] ZINC000292837587 528266724 /nfs/dbraw/zinc/26/67/24/528266724.db2.gz UPUAUDSXFCAVNJ-INIZCTEOSA-N 1 0 320.389 2.873 20 5 DFBDRO CCOc1cc(N2CC[N@@H+]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301507175 528311224 /nfs/dbraw/zinc/31/12/24/528311224.db2.gz HHYWKYHJSJNVTQ-AWEZNQCLSA-N 1 0 305.378 2.668 20 5 DFBDRO CC[N@H+](CCCO)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292713592 528468669 /nfs/dbraw/zinc/46/86/69/528468669.db2.gz FHHGODRNMDDNAN-UHFFFAOYSA-N 1 0 306.284 2.818 20 5 DFBDRO CCOC(=O)CCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000322357830 528725977 /nfs/dbraw/zinc/72/59/77/528725977.db2.gz GINCEMVTGYRGJM-UHFFFAOYSA-N 1 0 317.345 2.841 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000299566620 528816786 /nfs/dbraw/zinc/81/67/86/528816786.db2.gz NTNHXHZGOPNJJP-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790789 529238543 /nfs/dbraw/zinc/23/85/43/529238543.db2.gz AZTBWRWFYADPNK-UKRRQHHQSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945507 529325682 /nfs/dbraw/zinc/32/56/82/529325682.db2.gz KALUUOOBFTZCSU-STQMWFEESA-N 1 0 305.378 2.678 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000357821145 535019182 /nfs/dbraw/zinc/01/91/82/535019182.db2.gz VEMHHZGDIUNZPH-STQMWFEESA-N 1 0 322.409 2.684 20 5 DFBDRO CC1(C)[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000172961812 535041120 /nfs/dbraw/zinc/04/11/20/535041120.db2.gz XXCAZOANYMXZJB-OKILXGFUSA-N 1 0 303.362 2.511 20 5 DFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354519 535075937 /nfs/dbraw/zinc/07/59/37/535075937.db2.gz LIYSMWBGMRNNLR-ZBFHGGJFSA-N 1 0 322.405 2.845 20 5 DFBDRO CC1(CNc2ccc([N+](=O)[O-])c3cccnc23)CC[NH2+]CC1 ZINC000262111412 535159151 /nfs/dbraw/zinc/15/91/51/535159151.db2.gz JVVUSRINNWQUMH-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358268707 535934800 /nfs/dbraw/zinc/93/48/00/535934800.db2.gz SLXJZYVMRVRFBU-QLFBSQMISA-N 1 0 305.378 2.550 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC2(CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173822863 535984624 /nfs/dbraw/zinc/98/46/24/535984624.db2.gz IFDZWDXOEYKKDT-UHFFFAOYSA-N 1 0 317.389 2.824 20 5 DFBDRO CCc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000245408086 536164579 /nfs/dbraw/zinc/16/45/79/536164579.db2.gz FOGLGIRAMLIDPZ-DOMZBBRYSA-N 1 0 319.405 2.569 20 5 DFBDRO 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 219041007 /nfs/dbraw/zinc/04/10/07/219041007.db2.gz NXBPNHHFKTWEQI-GWIBLVFBSA-N 1 0 306.337 2.589 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278439958 214155386 /nfs/dbraw/zinc/15/53/86/214155386.db2.gz KGXKTSFEHJCBHS-UHFFFAOYSA-N 1 0 303.366 2.756 20 5 DFBDRO O=[N+]([O-])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000412992208 295666971 /nfs/dbraw/zinc/66/69/71/295666971.db2.gz SXACQVJXURQMHG-UHFFFAOYSA-N 1 0 300.362 2.826 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCO1 ZINC000278548404 214227914 /nfs/dbraw/zinc/22/79/14/214227914.db2.gz BCJLHTFOKSINLD-ZIAGYGMSSA-N 1 0 314.769 2.532 20 5 DFBDRO COc1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000278624023 214282458 /nfs/dbraw/zinc/28/24/58/214282458.db2.gz JXZVGVKZEWSGEV-UHFFFAOYSA-N 1 0 320.389 2.636 20 5 DFBDRO CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000078997744 185143441 /nfs/dbraw/zinc/14/34/41/185143441.db2.gz RJIOUWHHXOFYDI-QWHCGFSZSA-N 1 0 307.394 2.811 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccc(F)cc1 ZINC000413068659 295673766 /nfs/dbraw/zinc/67/37/66/295673766.db2.gz JMZQYDFDTRADCM-CQSZACIVSA-N 1 0 322.315 2.983 20 5 DFBDRO Cn1nccc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000278681036 214322416 /nfs/dbraw/zinc/32/24/16/214322416.db2.gz RRJSNYSYQFDPDX-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000278684559 214323978 /nfs/dbraw/zinc/32/39/78/214323978.db2.gz IHRMROGEEUWFIX-UFBFGSQYSA-N 1 0 304.268 2.881 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000319354737 231183941 /nfs/dbraw/zinc/18/39/41/231183941.db2.gz WECMEXDHRFHEBV-BBWFWOEESA-N 1 0 304.390 2.763 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945506 529439619 /nfs/dbraw/zinc/43/96/19/529439619.db2.gz KALUUOOBFTZCSU-QWHCGFSZSA-N 1 0 305.378 2.678 20 5 DFBDRO C[N@@H+]1CCCC12CCN(c1c(Cl)cncc1[N+](=O)[O-])CC2 ZINC000596182570 398350130 /nfs/dbraw/zinc/35/01/30/398350130.db2.gz PPDXGVDDKQFFJU-UHFFFAOYSA-N 1 0 310.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@@H]1CC[N@H+](CC3CC3)C1)CCCC2 ZINC000591909799 398351935 /nfs/dbraw/zinc/35/19/35/398351935.db2.gz WAFJVZWPPOZHGX-CQSZACIVSA-N 1 0 316.405 2.765 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000081635394 398363971 /nfs/dbraw/zinc/36/39/71/398363971.db2.gz GALVTQMSQKIACD-KRWDZBQOSA-N 1 0 317.433 2.801 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633778 398364850 /nfs/dbraw/zinc/36/48/50/398364850.db2.gz NIUALPFQVPCEGR-MRXNPFEDSA-N 1 0 303.406 2.759 20 5 DFBDRO Cc1cc(NC2CC[NH2+]CC2)c(Br)cc1[N+](=O)[O-] ZINC000235855507 398361372 /nfs/dbraw/zinc/36/13/72/398361372.db2.gz KELQDEFBCBDBBQ-UHFFFAOYSA-N 1 0 314.183 2.830 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000596251078 398367716 /nfs/dbraw/zinc/36/77/16/398367716.db2.gz LSJLRZSMALTAQJ-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC([NH2+]Cc3ccccc3)CC2)s1 ZINC000596252642 398368279 /nfs/dbraw/zinc/36/82/79/398368279.db2.gz PTPQYZNEWJDJKE-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO C[N@@H+]1C[C@@H](CNc2ccc([N+](=O)[O-])nc2)[C@H](c2ccccc2)C1 ZINC000591988750 398368638 /nfs/dbraw/zinc/36/86/38/398368638.db2.gz JKWFYDDLFNMXQN-ZBFHGGJFSA-N 1 0 312.373 2.747 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000008337707 398372379 /nfs/dbraw/zinc/37/23/79/398372379.db2.gz ITTDEQIZCYSSQU-AWEZNQCLSA-N 1 0 317.393 2.823 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CCC([NH2+]C4CC4)CC3)c2c1 ZINC000413202836 295685961 /nfs/dbraw/zinc/68/59/61/295685961.db2.gz VIGUDPHVBIJFGG-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccccc1[N+](=O)[O-] ZINC000009917137 398375946 /nfs/dbraw/zinc/37/59/46/398375946.db2.gz PKCCWBGLHBRIFA-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068678 185280580 /nfs/dbraw/zinc/28/05/80/185280580.db2.gz CZNPULQJNZWBRZ-XUJVJEKNSA-N 1 0 307.394 2.939 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066534781 398383545 /nfs/dbraw/zinc/38/35/45/398383545.db2.gz ZEQBGTMIMFSHTE-ZDUSSCGKSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090453929 185297481 /nfs/dbraw/zinc/29/74/81/185297481.db2.gz WJYZJUISOWAYPK-RISCZKNCSA-N 1 0 300.362 2.834 20 5 DFBDRO CC(C)CC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552686 185302558 /nfs/dbraw/zinc/30/25/58/185302558.db2.gz HZESPFQKRHUNKB-AWEZNQCLSA-N 1 0 307.394 2.657 20 5 DFBDRO CCC[C@]1(C)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000090551300 185303010 /nfs/dbraw/zinc/30/30/10/185303010.db2.gz VDQBVDIQTPJIKY-MRXNPFEDSA-N 1 0 307.394 2.659 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000127829742 282958527 /nfs/dbraw/zinc/95/85/27/282958527.db2.gz WHFKGFJJWSVIJC-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[NH+]1CCC(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC1 ZINC000014523521 398391069 /nfs/dbraw/zinc/39/10/69/398391069.db2.gz QIKWKKZAZKQSTM-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO CC1(C)CCC[C@@H]1[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154397 398393462 /nfs/dbraw/zinc/39/34/62/398393462.db2.gz RQINLMVOEJFNQJ-DZGCQCFKSA-N 1 0 306.410 2.940 20 5 DFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc([N+](=O)[O-])s2)cc1 ZINC000015140419 398393186 /nfs/dbraw/zinc/39/31/86/398393186.db2.gz LGNLSULODDYMTL-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000015257943 398393984 /nfs/dbraw/zinc/39/39/84/398393984.db2.gz WFLBIMFIPCQHGH-VXGBXAGGSA-N 1 0 306.362 2.939 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000592180583 398397182 /nfs/dbraw/zinc/39/71/82/398397182.db2.gz FLDFOCGYRSWYCD-NJZAAPMLSA-N 1 0 303.362 2.620 20 5 DFBDRO Cc1cc(NC[C@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272817719 210217452 /nfs/dbraw/zinc/21/74/52/210217452.db2.gz IDPFGHSWQOXZIE-LBPRGKRZSA-N 1 0 315.251 2.787 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccncc1[N+](=O)[O-])Cc1ccccc1 ZINC000066796533 398399465 /nfs/dbraw/zinc/39/94/65/398399465.db2.gz JFNCICZCFVUMSB-AWEZNQCLSA-N 1 0 300.362 2.575 20 5 DFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181444700 199297742 /nfs/dbraw/zinc/29/77/42/199297742.db2.gz DMVOOXULOSJECX-VXGBXAGGSA-N 1 0 321.377 2.571 20 5 DFBDRO CC[N@H+](CCSC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000592199479 398400798 /nfs/dbraw/zinc/40/07/98/398400798.db2.gz POKCOQMXLSIAFY-UHFFFAOYSA-N 1 0 312.391 2.646 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000181526585 199311731 /nfs/dbraw/zinc/31/17/31/199311731.db2.gz MHADMFIEZFHZLW-ZDUSSCGKSA-N 1 0 318.333 2.571 20 5 DFBDRO CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C)C1 ZINC000592210999 398402878 /nfs/dbraw/zinc/40/28/78/398402878.db2.gz HJMAJHSAWZHFOS-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592210998 398403139 /nfs/dbraw/zinc/40/31/39/398403139.db2.gz HJMAJHSAWZHFOS-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CCOC(=O)c1cc(NCC[C@@H](C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000596428598 398410018 /nfs/dbraw/zinc/41/00/18/398410018.db2.gz FNIHUMCJHHXFOT-LLVKDONJSA-N 1 0 309.366 2.524 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592331244 398412502 /nfs/dbraw/zinc/41/25/02/398412502.db2.gz ZYGAVNBIRVYEPC-ZDUSSCGKSA-N 1 0 305.378 2.590 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000592331190 398412664 /nfs/dbraw/zinc/41/26/64/398412664.db2.gz XQGIMQGQJXRMPD-NSHDSACASA-N 1 0 323.418 2.579 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1/C=C/c1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356698 398414529 /nfs/dbraw/zinc/41/45/29/398414529.db2.gz FVAOLMHZVOMDBP-DUMNWFOQSA-N 1 0 304.281 2.712 20 5 DFBDRO C[C@@H](CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000584876144 398424516 /nfs/dbraw/zinc/42/45/16/398424516.db2.gz RCDKWMVRAHQJAI-KBPBESRZSA-N 1 0 319.405 2.546 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067232720 398424689 /nfs/dbraw/zinc/42/46/89/398424689.db2.gz ONJUKAJCEHXSGD-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CC1([NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000592431613 398425068 /nfs/dbraw/zinc/42/50/68/398425068.db2.gz POVPWBFYKQQERS-UHFFFAOYSA-N 1 0 315.320 2.509 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000592396075 398421068 /nfs/dbraw/zinc/42/10/68/398421068.db2.gz GLDYHUPBFLJMOL-DYVFJYSZSA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000592396117 398421094 /nfs/dbraw/zinc/42/10/94/398421094.db2.gz HHBLDSBBVBXVTK-SUMWQHHRSA-N 1 0 322.405 2.731 20 5 DFBDRO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397478 398421244 /nfs/dbraw/zinc/42/12/44/398421244.db2.gz MCAVOICHIUYSCP-WBVHZDCISA-N 1 0 322.405 2.813 20 5 DFBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000592400066 398421780 /nfs/dbraw/zinc/42/17/80/398421780.db2.gz QGPKXPFAAPGTCN-WUHRBBMRSA-N 1 0 310.423 2.759 20 5 DFBDRO CC(C)C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000024679816 398433384 /nfs/dbraw/zinc/43/33/84/398433384.db2.gz JMVXHYMJJIRJEZ-CQSZACIVSA-N 1 0 308.382 2.693 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnn(CC(F)F)c1 ZINC000294553716 529933842 /nfs/dbraw/zinc/93/38/42/529933842.db2.gz FLHCVHMLWVLYCM-UHFFFAOYSA-N 1 0 324.331 2.731 20 5 DFBDRO CCN(CCSC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000592530176 398443487 /nfs/dbraw/zinc/44/34/87/398443487.db2.gz OQEMNQYYVOXDHP-UHFFFAOYSA-N 1 0 312.391 2.566 20 5 DFBDRO CC(C)([NH3+])CCC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000592529838 398443857 /nfs/dbraw/zinc/44/38/57/398443857.db2.gz SXMSMNBFPJKOAF-UHFFFAOYSA-N 1 0 307.394 2.551 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592543917 398445366 /nfs/dbraw/zinc/44/53/66/398445366.db2.gz XXNRDJXSPGWNAR-UHFFFAOYSA-N 1 0 319.405 2.846 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1[N+](=O)[O-] ZINC000592570752 398446091 /nfs/dbraw/zinc/44/60/91/398446091.db2.gz QGINZPHNDQQJTM-HNNXBMFYSA-N 1 0 317.389 2.562 20 5 DFBDRO CC[C@@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413521007 295716278 /nfs/dbraw/zinc/71/62/78/295716278.db2.gz QMIVASUGEDOUTH-ZFWWWQNUSA-N 1 0 323.418 2.509 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000026159301 398450741 /nfs/dbraw/zinc/45/07/41/398450741.db2.gz HNRNKWLBKDCNGV-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO Cc1ncc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000089580633 398457555 /nfs/dbraw/zinc/45/75/55/398457555.db2.gz LLBKFWGWCHSORR-NSHDSACASA-N 1 0 316.361 2.731 20 5 DFBDRO C[C@H]([N@H+](C)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)(C)C ZINC000027137283 398460445 /nfs/dbraw/zinc/46/04/45/398460445.db2.gz QQTUMDXRZJBFPQ-LBPRGKRZSA-N 1 0 319.405 2.850 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090053355 398476343 /nfs/dbraw/zinc/47/63/43/398476343.db2.gz WBSSGWAOEDQQTN-SJORKVTESA-N 1 0 322.405 2.813 20 5 DFBDRO O=C(CC[NH+]1C[C@H]2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181741635 199346078 /nfs/dbraw/zinc/34/60/78/199346078.db2.gz JAJIKCVYVNWBID-VXGBXAGGSA-N 1 0 321.352 2.794 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000588231205 398490888 /nfs/dbraw/zinc/49/08/88/398490888.db2.gz HQJBNLHPTOEKFS-GXTWGEPZSA-N 1 0 310.394 2.909 20 5 DFBDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccc([N+](=O)[O-])o1 ZINC000068268698 398491164 /nfs/dbraw/zinc/49/11/64/398491164.db2.gz LONPLFMXGDNKJB-UHFFFAOYSA-N 1 0 309.366 2.524 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000286780766 219163034 /nfs/dbraw/zinc/16/30/34/219163034.db2.gz HIHZFCCMEVQCBZ-WMLDXEAASA-N 1 0 319.405 2.532 20 5 DFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000030269493 398499117 /nfs/dbraw/zinc/49/91/17/398499117.db2.gz JGNWWRSBSPLOLJ-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000030272325 398499609 /nfs/dbraw/zinc/49/96/09/398499609.db2.gz HNRYKTMGCUHXDF-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3nccs3)c2c1 ZINC000588933623 398518636 /nfs/dbraw/zinc/51/86/36/398518636.db2.gz IKPOMYZHPXNGNY-UHFFFAOYSA-N 1 0 302.359 2.865 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2CCC3(CC3)CC2)c1 ZINC000593019941 398522143 /nfs/dbraw/zinc/52/21/43/398522143.db2.gz SECSPYPJPYIMCO-UHFFFAOYSA-N 1 0 304.346 2.757 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000091453432 398529399 /nfs/dbraw/zinc/52/93/99/398529399.db2.gz ABIKLTWLVUHTCE-GFCCVEGCSA-N 1 0 323.368 2.807 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000091453525 398529479 /nfs/dbraw/zinc/52/94/79/398529479.db2.gz UEABLVCCFWGKPE-INIZCTEOSA-N 1 0 319.405 2.806 20 5 DFBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000589162885 398531230 /nfs/dbraw/zinc/53/12/30/398531230.db2.gz YEDUMOCRLWGCPL-STQMWFEESA-N 1 0 320.311 2.675 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000091483079 398532981 /nfs/dbraw/zinc/53/29/81/398532981.db2.gz SYTINPPXAFCATA-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO CCCCOC[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000279714510 215084783 /nfs/dbraw/zinc/08/47/83/215084783.db2.gz KWAQVENFKKNHGS-CVEARBPZSA-N 1 0 310.394 2.813 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000068902692 398536523 /nfs/dbraw/zinc/53/65/23/398536523.db2.gz UACLKGCQFXVSNG-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000068906756 398537586 /nfs/dbraw/zinc/53/75/86/398537586.db2.gz MDFIFRJWZUSFGH-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2cnnc2)CC1 ZINC000593075540 398538738 /nfs/dbraw/zinc/53/87/38/398538738.db2.gz GQRUWDQASFIWJA-CYBMUJFWSA-N 1 0 315.377 2.660 20 5 DFBDRO O=C1[C@H]([NH2+]C2(C3CCC3)CC2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000593079811 398539432 /nfs/dbraw/zinc/53/94/32/398539432.db2.gz GWWCJORIWMFLKO-OAHLLOKOSA-N 1 0 315.373 2.622 20 5 DFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000459605603 299145924 /nfs/dbraw/zinc/14/59/24/299145924.db2.gz DEARLJKPKHGSTN-UNEWFSDZSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@H](CO)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593084126 398541897 /nfs/dbraw/zinc/54/18/97/398541897.db2.gz MZNBLTIPASRUQX-CQSZACIVSA-N 1 0 322.405 2.704 20 5 DFBDRO CCc1nn(C)c(NC2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000091733354 398543448 /nfs/dbraw/zinc/54/34/48/398543448.db2.gz GTVXWGYDNVRVFA-UHFFFAOYSA-N 1 0 321.425 2.710 20 5 DFBDRO COc1ccc(CN2C[C@@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593093419 398543884 /nfs/dbraw/zinc/54/38/84/398543884.db2.gz SMZKFSPSDWCRDU-GFCCVEGCSA-N 1 0 306.362 2.747 20 5 DFBDRO CC(C)[N@@H+]1CCCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069080695 398547315 /nfs/dbraw/zinc/54/73/15/398547315.db2.gz OYVKSDOQYMAZCH-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(C(=O)OC)CCC1 ZINC000272609490 210009474 /nfs/dbraw/zinc/00/94/74/210009474.db2.gz ZDTYFJVNALBVJW-HNNXBMFYSA-N 1 0 320.389 2.849 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000459636928 299153020 /nfs/dbraw/zinc/15/30/20/299153020.db2.gz AIDUPSZYUZUDFA-KLPPZKSPSA-N 1 0 316.304 2.853 20 5 DFBDRO CSC1(CNc2ccc([N+](=O)[O-])s2)CC[NH+](C)CC1 ZINC000589604593 398563356 /nfs/dbraw/zinc/56/33/56/398563356.db2.gz FBXSXMAKFSRWCB-UHFFFAOYSA-N 1 0 301.437 2.896 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593232256 398576853 /nfs/dbraw/zinc/57/68/53/398576853.db2.gz LCDUXWXRGVUCNI-ZQIUZPCESA-N 1 0 319.405 2.626 20 5 DFBDRO C[NH2+]Cc1ccccc1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000593234078 398577365 /nfs/dbraw/zinc/57/73/65/398577365.db2.gz DBQICBHGSRBEKE-UHFFFAOYSA-N 1 0 312.373 2.894 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414368961 295793655 /nfs/dbraw/zinc/79/36/55/295793655.db2.gz UCYAVRQEMQVHRT-LBPRGKRZSA-N 1 0 317.393 2.554 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn(C)cn1 ZINC000459662740 299158404 /nfs/dbraw/zinc/15/84/04/299158404.db2.gz NSUQCOOSMMDRCO-JYRVWZFOSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000279936491 215251274 /nfs/dbraw/zinc/25/12/74/215251274.db2.gz XBJUGICNOSJGKP-HIFRSBDPSA-N 1 0 308.378 2.599 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)C(O)[C@@H](C)C1 ZINC000597207525 398590411 /nfs/dbraw/zinc/59/04/11/398590411.db2.gz YYPZBBLPJMCNBU-LSXSHFNWSA-N 1 0 304.390 2.947 20 5 DFBDRO CCOc1cc(N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000092656974 398591132 /nfs/dbraw/zinc/59/11/32/398591132.db2.gz VOXZKARNAXCJMR-TZMCWYRMSA-N 1 0 307.394 2.912 20 5 DFBDRO CCOc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000092685972 398594368 /nfs/dbraw/zinc/59/43/68/398594368.db2.gz RMUKOGNCSDJZCB-HIFRSBDPSA-N 1 0 319.405 2.914 20 5 DFBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000590134556 398599377 /nfs/dbraw/zinc/59/93/77/398599377.db2.gz WWFWXMWRNHFONB-NXEZZACHSA-N 1 0 315.295 2.578 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000597236486 398600516 /nfs/dbraw/zinc/60/05/16/398600516.db2.gz QRIXUWRSAXKWHT-ATWYWQRXSA-N 1 0 304.390 2.948 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCCO)C2CC2)c1 ZINC000590161710 398602209 /nfs/dbraw/zinc/60/22/09/398602209.db2.gz OAEYWJHOBVDRLS-UHFFFAOYSA-N 1 0 318.295 2.960 20 5 DFBDRO Cc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000043147137 398614633 /nfs/dbraw/zinc/61/46/33/398614633.db2.gz PCJVWQBHFNRUIS-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000043147073 398614759 /nfs/dbraw/zinc/61/47/59/398614759.db2.gz VJMMUZXMDOBJIS-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO O=c1cc(C[N@H+]2CCC[C@@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000072535694 398620035 /nfs/dbraw/zinc/62/00/35/398620035.db2.gz BEBWYBIFRXZWDN-OAHLLOKOSA-N 1 0 309.365 2.903 20 5 DFBDRO C[C@@H](c1ccncc1)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000072664924 398629631 /nfs/dbraw/zinc/62/96/31/398629631.db2.gz DTSIQVGYQKOLQL-JSGCOSHPSA-N 1 0 313.361 2.632 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ccc(N)c([N+](=O)[O-])n2)CC1 ZINC000590575441 398633536 /nfs/dbraw/zinc/63/35/36/398633536.db2.gz ZSIYMEBQKRTJRO-UHFFFAOYSA-N 1 0 321.425 2.520 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593465790 398637453 /nfs/dbraw/zinc/63/74/53/398637453.db2.gz SXGNTEWGWNNEGD-ZBEGNZNMSA-N 1 0 300.362 2.895 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000093460201 398637848 /nfs/dbraw/zinc/63/78/48/398637848.db2.gz GWYFWAHVFFUOET-UHFFFAOYSA-N 1 0 300.362 2.980 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000414655849 295812541 /nfs/dbraw/zinc/81/25/41/295812541.db2.gz HQDQTNINIMRFFP-RISCZKNCSA-N 1 0 306.366 2.637 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000590646743 398644749 /nfs/dbraw/zinc/64/47/49/398644749.db2.gz CSPUMPXISKLKFH-XBXGTLAGSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000414665141 295813279 /nfs/dbraw/zinc/81/32/79/295813279.db2.gz UOHKONHJXGSRHW-YPMHNXCESA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871799 398644022 /nfs/dbraw/zinc/64/40/22/398644022.db2.gz GJRYIDRJUMHYGS-WZRBSPASSA-N 1 0 305.378 2.818 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000093865876 398648015 /nfs/dbraw/zinc/64/80/15/398648015.db2.gz KJSWIQYVHBDIAR-INIZCTEOSA-N 1 0 313.357 2.952 20 5 DFBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000072924811 398648450 /nfs/dbraw/zinc/64/84/50/398648450.db2.gz JSNQLJGWKHCETE-CYBMUJFWSA-N 1 0 318.320 2.957 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000237451849 186290795 /nfs/dbraw/zinc/29/07/95/186290795.db2.gz KHCOHSKEOYHESU-IACUBPJLSA-N 1 0 305.378 2.598 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000292018783 222785157 /nfs/dbraw/zinc/78/51/57/222785157.db2.gz WIOFDSWQUOZGCS-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO Cc1c(NC(=O)N[C@](C)(C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000414706769 295817913 /nfs/dbraw/zinc/81/79/13/295817913.db2.gz OMINPDURQNTXCH-HNNXBMFYSA-N 1 0 308.382 2.788 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000094125530 398653582 /nfs/dbraw/zinc/65/35/82/398653582.db2.gz OCXYHYYCZKBJMR-UHFFFAOYSA-N 1 0 319.405 2.688 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414709462 295818159 /nfs/dbraw/zinc/81/81/59/295818159.db2.gz RFQRIDRCWHWFRV-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000094135326 398654498 /nfs/dbraw/zinc/65/44/98/398654498.db2.gz LUNLXQHDTCPWTC-GFCCVEGCSA-N 1 0 307.394 2.590 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC[C@H]1CCC[NH2+]1 ZINC000292046646 222805317 /nfs/dbraw/zinc/80/53/17/222805317.db2.gz ISRQQEMFAMUROJ-OAHLLOKOSA-N 1 0 319.405 2.864 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([N+](=O)[O-])cc1F ZINC000459739935 299178213 /nfs/dbraw/zinc/17/82/13/299178213.db2.gz BAOZWOMDKYDAPQ-LSDHHAIUSA-N 1 0 324.352 2.790 20 5 DFBDRO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000172100909 198039137 /nfs/dbraw/zinc/03/91/37/198039137.db2.gz HQEMGBMSHHDVOC-CQSZACIVSA-N 1 0 319.405 2.818 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000590765851 398668909 /nfs/dbraw/zinc/66/89/09/398668909.db2.gz ZFDZEFPLOHHJOC-MRXNPFEDSA-N 1 0 321.421 2.778 20 5 DFBDRO COc1cccc([C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000593679383 398669719 /nfs/dbraw/zinc/66/97/19/398669719.db2.gz CYJBQOSWIDEULS-QGZVFWFLSA-N 1 0 316.357 2.735 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459767635 299186433 /nfs/dbraw/zinc/18/64/33/299186433.db2.gz ASIRSUGVLFWUHJ-HUUCEWRRSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H](CO)CCF)o1 ZINC000593690473 398671177 /nfs/dbraw/zinc/67/11/77/398671177.db2.gz ZGSIENMNEYQZES-NSHDSACASA-N 1 0 308.309 2.665 20 5 DFBDRO C[NH2+][C@@H](C)CNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414992212 295844784 /nfs/dbraw/zinc/84/47/84/295844784.db2.gz SULDYHVJOKZCAM-NSHDSACASA-N 1 0 319.361 2.561 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172832725 198155215 /nfs/dbraw/zinc/15/52/15/198155215.db2.gz BGBWNDCIKYAGOL-AWEZNQCLSA-N 1 0 319.405 2.850 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H](CO)CCF)c2ccccc2)c1 ZINC000593718750 398676309 /nfs/dbraw/zinc/67/63/09/398676309.db2.gz QXNZMYBXTITKAI-WBVHZDCISA-N 1 0 318.348 2.994 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000172964479 198170498 /nfs/dbraw/zinc/17/04/98/198170498.db2.gz GANIGHAXKYUCOI-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277157821 213333265 /nfs/dbraw/zinc/33/32/65/213333265.db2.gz XQVXFFZRHLTSTE-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277157816 213333150 /nfs/dbraw/zinc/33/31/50/213333150.db2.gz XQVXFFZRHLTSTE-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000072950225 191255542 /nfs/dbraw/zinc/25/55/42/191255542.db2.gz QBCINYLUPHXXMC-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000173591865 198230646 /nfs/dbraw/zinc/23/06/46/198230646.db2.gz CJYYUMNJFPRWIT-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000173591853 198231143 /nfs/dbraw/zinc/23/11/43/198231143.db2.gz CJYYUMNJFPRWIT-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174178420 198301885 /nfs/dbraw/zinc/30/18/85/198301885.db2.gz YSANJGHRDGBRKF-YPMHNXCESA-N 1 0 306.366 2.541 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000174111291 198292903 /nfs/dbraw/zinc/29/29/03/198292903.db2.gz LOGZFCGCQYHIEN-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000597853564 398704504 /nfs/dbraw/zinc/70/45/04/398704504.db2.gz CDUCSUJOTFWADY-SNVBAGLBSA-N 1 0 311.407 2.507 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174532131 198347665 /nfs/dbraw/zinc/34/76/65/198347665.db2.gz YTOLBMYMYAUOOA-CQSZACIVSA-N 1 0 317.389 2.543 20 5 DFBDRO C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861717 398706468 /nfs/dbraw/zinc/70/64/68/398706468.db2.gz WAVBPMAXFRETMD-WFASDCNBSA-N 1 0 319.405 2.687 20 5 DFBDRO COCCC[N@H+](CCOC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174831011 198390952 /nfs/dbraw/zinc/39/09/52/198390952.db2.gz ABBUBPFIBVDJDE-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)c1 ZINC000174865123 198395465 /nfs/dbraw/zinc/39/54/65/198395465.db2.gz LTKDUQLUAOCHLQ-UHFFFAOYSA-N 1 0 318.352 2.843 20 5 DFBDRO C[C@H](c1cc(F)ccc1F)N(C)CCn1cc([N+](=O)[O-])cn1 ZINC000174823003 198390019 /nfs/dbraw/zinc/39/00/19/198390019.db2.gz CNVWRUDAERGDEZ-SNVBAGLBSA-N 1 0 310.304 2.763 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000332148094 234562147 /nfs/dbraw/zinc/56/21/47/234562147.db2.gz UPGGHHJSPWITKU-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000460361742 299212380 /nfs/dbraw/zinc/21/23/80/299212380.db2.gz IDHVZWJECQQUPQ-CABCVRRESA-N 1 0 319.405 2.998 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000594015026 398722187 /nfs/dbraw/zinc/72/21/87/398722187.db2.gz SREJSRFKBOTJKN-OAHLLOKOSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597925429 398723055 /nfs/dbraw/zinc/72/30/55/398723055.db2.gz PCFYYFDFVQLTRR-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(NC(=O)N[C@H](C[NH3+])C2CCCC2)ccc1[N+](=O)[O-] ZINC000415416861 295882320 /nfs/dbraw/zinc/88/23/20/295882320.db2.gz LFRKVORKMAAETH-CYBMUJFWSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415480555 295886433 /nfs/dbraw/zinc/88/64/33/295886433.db2.gz HOOSJGRQNLBMCP-OLZOCXBDSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415499707 295888165 /nfs/dbraw/zinc/88/81/65/295888165.db2.gz KMSXROYQOVSWNU-SMDDNHRTSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415579489 295891975 /nfs/dbraw/zinc/89/19/75/295891975.db2.gz KBJRDIFKNUWVGG-CYBMUJFWSA-N 1 0 320.393 2.865 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415627570 295894926 /nfs/dbraw/zinc/89/49/26/295894926.db2.gz BPHQSNXCCHVVRV-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO CCCN(C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000415633199 295895520 /nfs/dbraw/zinc/89/55/20/295895520.db2.gz PWOASIRJKAQHAS-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@@H](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597997554 398735214 /nfs/dbraw/zinc/73/52/14/398735214.db2.gz MXWYMNJKHSPFOM-LBPRGKRZSA-N 1 0 321.421 2.962 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000276975452 213213469 /nfs/dbraw/zinc/21/34/69/213213469.db2.gz FAQHRNACUQSHCA-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO CC[C@@H]1CN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC[C@@H]1[NH3+] ZINC000591301722 398746678 /nfs/dbraw/zinc/74/66/78/398746678.db2.gz UEFFMRPUGDMIFQ-OLZOCXBDSA-N 1 0 320.393 2.803 20 5 DFBDRO CC[C@@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@H]1[NH3+] ZINC000591298629 398746135 /nfs/dbraw/zinc/74/61/35/398746135.db2.gz GEGWCTMKUXBJHP-CHWSQXEVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591434930 398759991 /nfs/dbraw/zinc/75/99/91/398759991.db2.gz NDMFIMJBRNFWJH-IACUBPJLSA-N 1 0 312.373 2.625 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc1-c1ccccc1 ZINC000591438576 398761061 /nfs/dbraw/zinc/76/10/61/398761061.db2.gz NKBRJHOFGWRQSV-HIFRSBDPSA-N 1 0 324.384 2.845 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000591442238 398761760 /nfs/dbraw/zinc/76/17/60/398761760.db2.gz LJHJQGGXSXVHEL-RYUDHWBXSA-N 1 0 324.812 2.859 20 5 DFBDRO Cc1cc(N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000591446265 398761970 /nfs/dbraw/zinc/76/19/70/398761970.db2.gz YELZOGJCOJIAHT-DOTOQJQBSA-N 1 0 319.405 2.626 20 5 DFBDRO COc1cccc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591443164 398762125 /nfs/dbraw/zinc/76/21/25/398762125.db2.gz XKUUAKDFPKNVCS-UONOGXRCSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591443034 398762395 /nfs/dbraw/zinc/76/23/95/398762395.db2.gz WUMHLNNSMZTQHV-VXGBXAGGSA-N 1 0 324.812 2.859 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594199373 398764446 /nfs/dbraw/zinc/76/44/46/398764446.db2.gz YDCFZSKLOCHSPQ-HZPDHXFCSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000594201738 398764992 /nfs/dbraw/zinc/76/49/92/398764992.db2.gz QOLURUQUJMGYMC-GDBMZVCRSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204680 398765769 /nfs/dbraw/zinc/76/57/69/398765769.db2.gz WQQGADSYDXSRAK-GDBMZVCRSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353909 283160986 /nfs/dbraw/zinc/16/09/86/283160986.db2.gz GVQMCCFFIILNGM-JQWIXIFHSA-N 1 0 310.785 2.564 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000134136051 283174506 /nfs/dbraw/zinc/17/45/06/283174506.db2.gz OKSSWYBBFPHLSV-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577865 398772847 /nfs/dbraw/zinc/77/28/47/398772847.db2.gz JUQXSTKUBMSHRL-TZMCWYRMSA-N 1 0 307.394 2.786 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598219430 398773729 /nfs/dbraw/zinc/77/37/29/398773729.db2.gz LUBATSUQPMYJRV-NSHDSACASA-N 1 0 323.418 2.793 20 5 DFBDRO CCc1ccc([C@H](NC[C@H](C)[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000591580665 398773952 /nfs/dbraw/zinc/77/39/52/398773952.db2.gz JDRPVBWSQMKWBT-MEDUHNTESA-N 1 0 303.362 2.776 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261416 398779256 /nfs/dbraw/zinc/77/92/56/398779256.db2.gz FHPIMBFERRTOTH-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)C(C)(C)C ZINC000134422588 283185336 /nfs/dbraw/zinc/18/53/36/283185336.db2.gz IHUJPAXUCQNKQA-OAHLLOKOSA-N 1 0 310.394 2.703 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1COc1ccc2c(c1)OCC[NH2+]C2 ZINC000591687375 398780808 /nfs/dbraw/zinc/78/08/08/398780808.db2.gz VLZBULOSSUUPFS-UHFFFAOYSA-N 1 0 318.304 2.795 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598265932 398780850 /nfs/dbraw/zinc/78/08/50/398780850.db2.gz WFGOKHNOWWCOIX-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594388911 398790517 /nfs/dbraw/zinc/79/05/17/398790517.db2.gz CQLRQVJZPJFGGD-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276925173 213179463 /nfs/dbraw/zinc/17/94/63/213179463.db2.gz PWFDLTAISFDHDN-OAHLLOKOSA-N 1 0 310.394 2.832 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@@H](CO)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000276925171 213178688 /nfs/dbraw/zinc/17/86/88/213178688.db2.gz PWFDLTAISFDHDN-HNNXBMFYSA-N 1 0 310.394 2.832 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922141 213177766 /nfs/dbraw/zinc/17/77/66/213177766.db2.gz PGGXUOMWJVFOHZ-LRDDRELGSA-N 1 0 308.378 2.850 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000598341846 398796002 /nfs/dbraw/zinc/79/60/02/398796002.db2.gz HBADQPZIDJDRKM-LBPRGKRZSA-N 1 0 317.345 2.555 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276914479 213172206 /nfs/dbraw/zinc/17/22/06/213172206.db2.gz NZFUBGHVZOXZRS-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(SC)c2[N+](=O)[O-])C1 ZINC000598343457 398796234 /nfs/dbraw/zinc/79/62/34/398796234.db2.gz VQTRLKZNWFMGIG-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO C[NH+]1C[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]2C1 ZINC000362676203 283249953 /nfs/dbraw/zinc/24/99/53/283249953.db2.gz UPOAEEXLDBAIAB-GJZGRUSLSA-N 1 0 324.384 2.655 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCNC(=O)c2ccco2)cccc1[N+](=O)[O-] ZINC000178490869 198876559 /nfs/dbraw/zinc/87/65/59/198876559.db2.gz LQXYABVCOCHUDQ-LBPRGKRZSA-N 1 0 317.345 2.577 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000178684935 198911334 /nfs/dbraw/zinc/91/13/34/198911334.db2.gz FPSFSMSJRFSTGY-VXGBXAGGSA-N 1 0 307.394 2.857 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCC(=O)OC(C)(C)C ZINC000150826464 283268461 /nfs/dbraw/zinc/26/84/61/283268461.db2.gz MTPWKBXHHWVYSE-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184771713 199762297 /nfs/dbraw/zinc/76/22/97/199762297.db2.gz VFKPZKAXLNNKEB-GJZGRUSLSA-N 1 0 320.345 2.507 20 5 DFBDRO CSCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000151161563 283277389 /nfs/dbraw/zinc/27/73/89/283277389.db2.gz VXUICEMNSMVTSU-UHFFFAOYSA-N 1 0 311.407 2.527 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000594502781 398811677 /nfs/dbraw/zinc/81/16/77/398811677.db2.gz RPAQMIGLKSUNHW-XJKSGUPXSA-N 1 0 324.384 2.846 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179455750 199038731 /nfs/dbraw/zinc/03/87/31/199038731.db2.gz NXYCGRWPKJUHJM-AWEZNQCLSA-N 1 0 319.405 2.592 20 5 DFBDRO CN1CCC([NH+]2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000050954609 398815181 /nfs/dbraw/zinc/81/51/81/398815181.db2.gz IFLKFOUERHSNSG-UHFFFAOYSA-N 1 0 318.421 2.565 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000075712465 398818480 /nfs/dbraw/zinc/81/84/80/398818480.db2.gz NNXIFYYIRKYPJR-OLZOCXBDSA-N 1 0 306.362 2.741 20 5 DFBDRO Nc1c(F)c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594597951 398827587 /nfs/dbraw/zinc/82/75/87/398827587.db2.gz FKGLEXUIXFLBEA-CMPLNLGQSA-N 1 0 308.357 2.745 20 5 DFBDRO Nc1c(F)c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594597954 398827731 /nfs/dbraw/zinc/82/77/31/398827731.db2.gz FKGLEXUIXFLBEA-ZYHUDNBSSA-N 1 0 308.357 2.745 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000594599334 398828201 /nfs/dbraw/zinc/82/82/01/398828201.db2.gz JGUNYOZCRIIIMT-HIFRSBDPSA-N 1 0 315.377 2.900 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000594581448 398824042 /nfs/dbraw/zinc/82/40/42/398824042.db2.gz XRLVFSBTWRHIPP-FUNVUKJBSA-N 1 0 305.378 2.665 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000594590819 398825652 /nfs/dbraw/zinc/82/56/52/398825652.db2.gz CRINKYAEWSPLFR-TXEJJXNPSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[N@@H+]3CCCC[C@@H]13)CCN2 ZINC000594602506 398829073 /nfs/dbraw/zinc/82/90/73/398829073.db2.gz QUTRQPURBYRLEJ-CABCVRRESA-N 1 0 316.405 2.992 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CCC[N@@H+]3CCCC[C@@H]13)CCN2 ZINC000594602508 398829117 /nfs/dbraw/zinc/82/91/17/398829117.db2.gz QUTRQPURBYRLEJ-GJZGRUSLSA-N 1 0 316.405 2.992 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000052159779 398833580 /nfs/dbraw/zinc/83/35/80/398833580.db2.gz QCTVPDNCHARQEP-NSHDSACASA-N 1 0 323.422 2.838 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000594615326 398834192 /nfs/dbraw/zinc/83/41/92/398834192.db2.gz SLCKJVKZYHKSAM-IUODEOHRSA-N 1 0 312.373 2.631 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594611360 398832440 /nfs/dbraw/zinc/83/24/40/398832440.db2.gz ZGYWMLGGOAHMHK-RDBSUJKOSA-N 1 0 304.346 2.513 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000594615905 398834828 /nfs/dbraw/zinc/83/48/28/398834828.db2.gz XIDKQQYJRJUHMW-ZJUUUORDSA-N 1 0 306.391 2.845 20 5 DFBDRO C[NH+](C)CCOc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000052407966 398839529 /nfs/dbraw/zinc/83/95/29/398839529.db2.gz SVIAWNCTCOJLIU-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO CCN(c1ccncc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152637493 283332469 /nfs/dbraw/zinc/33/24/69/283332469.db2.gz MQEUORKBOOKOAH-UHFFFAOYSA-N 1 0 321.358 2.513 20 5 DFBDRO CCN(c1ccncc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000152648127 283333188 /nfs/dbraw/zinc/33/31/88/283333188.db2.gz GMTUUBBMEVIASO-UHFFFAOYSA-N 1 0 321.358 2.513 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594695216 398843831 /nfs/dbraw/zinc/84/38/31/398843831.db2.gz AETPCLVXFZXAMR-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO C[NH2+]C1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000598632504 398843955 /nfs/dbraw/zinc/84/39/55/398843955.db2.gz DZWVQKISKRCDNT-UHFFFAOYSA-N 1 0 304.272 2.563 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076158612 398845211 /nfs/dbraw/zinc/84/52/11/398845211.db2.gz MZRZEBJIBCSSTG-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000598647132 398847071 /nfs/dbraw/zinc/84/70/71/398847071.db2.gz BWWXKTTXJCMLQE-HIFRSBDPSA-N 1 0 322.405 2.832 20 5 DFBDRO O=[N+]([O-])c1ccc(CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1 ZINC000594738916 398853146 /nfs/dbraw/zinc/85/31/46/398853146.db2.gz JTWZOYBYPPEEHH-KRWDZBQOSA-N 1 0 313.357 2.868 20 5 DFBDRO CCOC(=O)c1cc(NCC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000152855029 283342637 /nfs/dbraw/zinc/34/26/37/283342637.db2.gz LPJFGYVOYODYBW-UHFFFAOYSA-N 1 0 309.366 2.525 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000180299025 199143085 /nfs/dbraw/zinc/14/30/85/199143085.db2.gz VHKZCCVTPVAEPJ-UHFFFAOYSA-N 1 0 319.405 2.686 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180435271 199158361 /nfs/dbraw/zinc/15/83/61/199158361.db2.gz WPMDHSMLZIBWMQ-OLZOCXBDSA-N 1 0 305.378 2.504 20 5 DFBDRO CCCCCCNC(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180442632 199159640 /nfs/dbraw/zinc/15/96/40/199159640.db2.gz ITJMOYMREZKQRB-ZDUSSCGKSA-N 1 0 307.394 2.942 20 5 DFBDRO CCO[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000076407039 398855131 /nfs/dbraw/zinc/85/51/31/398855131.db2.gz FACDJOLCMBOQPT-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO COc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000237334640 202234690 /nfs/dbraw/zinc/23/46/90/202234690.db2.gz OETHQVRJAKRRRF-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000153055985 283350981 /nfs/dbraw/zinc/35/09/81/283350981.db2.gz DDZXWONEGPOAPZ-MLGOLLRUSA-N 1 0 321.421 2.984 20 5 DFBDRO CC(=O)c1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000076850414 398872708 /nfs/dbraw/zinc/87/27/08/398872708.db2.gz XLRSTSYWTKAOJK-LBPRGKRZSA-N 1 0 305.378 2.941 20 5 DFBDRO Cn1ncc(C2CC2)c1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000594938822 398876978 /nfs/dbraw/zinc/87/69/78/398876978.db2.gz SIZDFMBJDMNIRC-UHFFFAOYSA-N 1 0 300.362 2.538 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000594956558 398880896 /nfs/dbraw/zinc/88/08/96/398880896.db2.gz LKPGAODXDCMFKS-AWEZNQCLSA-N 1 0 321.421 2.956 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962805 398882591 /nfs/dbraw/zinc/88/25/91/398882591.db2.gz KJJSAAVFVAWMKF-CYBMUJFWSA-N 1 0 307.394 2.566 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000594967583 398883098 /nfs/dbraw/zinc/88/30/98/398883098.db2.gz UBXITIDCMJIPSB-OAHLLOKOSA-N 1 0 321.421 2.956 20 5 DFBDRO COc1ccc(CN[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000594978987 398885826 /nfs/dbraw/zinc/88/58/26/398885826.db2.gz FMMTXCAYAJXQJO-AWEZNQCLSA-N 1 0 321.421 2.813 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000595000577 398889225 /nfs/dbraw/zinc/88/92/25/398889225.db2.gz LWJCGNMHJKCJHA-RISCZKNCSA-N 1 0 306.387 2.911 20 5 DFBDRO NC(=O)CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000595000837 398889367 /nfs/dbraw/zinc/88/93/67/398889367.db2.gz NNFJDUSOFUGWGC-UHFFFAOYSA-N 1 0 323.368 2.649 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC(CO)C3)cs2)c1 ZINC000595001570 398889382 /nfs/dbraw/zinc/88/93/82/398889382.db2.gz XLVABYAZCHZLAD-UHFFFAOYSA-N 1 0 319.386 2.579 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000595001713 398889405 /nfs/dbraw/zinc/88/94/05/398889405.db2.gz WEOUAVQLNRZMSW-YVEFUNNKSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@H]1CC2(CN1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000598913502 398892191 /nfs/dbraw/zinc/89/21/91/398892191.db2.gz JKBWRQJITCQNTJ-LBPRGKRZSA-N 1 0 318.377 2.591 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000598912820 398892227 /nfs/dbraw/zinc/89/22/27/398892227.db2.gz AQIFFTYFFMJEEF-CYBMUJFWSA-N 1 0 322.340 2.530 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C1CC1)[NH+](C)C ZINC000595016293 398892250 /nfs/dbraw/zinc/89/22/50/398892250.db2.gz KBWAVNMPQHGQPP-XHDPSFHLSA-N 1 0 307.394 2.594 20 5 DFBDRO [NH3+][C@@H]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000598913896 398892256 /nfs/dbraw/zinc/89/22/56/398892256.db2.gz RUKWOYRLNFZRMR-NEPJUHHUSA-N 1 0 324.768 2.640 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@H]1CC[NH2+]C12CCCC2 ZINC000598912821 398892295 /nfs/dbraw/zinc/89/22/95/398892295.db2.gz AQIFFTYFFMJEEF-ZDUSSCGKSA-N 1 0 322.340 2.530 20 5 DFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915505 398892755 /nfs/dbraw/zinc/89/27/55/398892755.db2.gz NGMQGIFAUDMKET-IUCAKERBSA-N 1 0 312.757 2.592 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000598915453 398892922 /nfs/dbraw/zinc/89/29/22/398892922.db2.gz MATMXNMMKJOILT-NSHDSACASA-N 1 0 324.768 2.606 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000595026562 398894014 /nfs/dbraw/zinc/89/40/14/398894014.db2.gz PPWQLSOSVFQDKN-SLEUVZQESA-N 1 0 308.378 2.805 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000276383663 212843655 /nfs/dbraw/zinc/84/36/55/212843655.db2.gz GYEADYLYUVPZDW-DOMZBBRYSA-N 1 0 320.393 2.625 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041959 398896529 /nfs/dbraw/zinc/89/65/29/398896529.db2.gz RHYMXXRQCQVRKN-STQMWFEESA-N 1 0 309.410 2.984 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@H](C)C[N@H+](C)C(C)C ZINC000595046535 398897312 /nfs/dbraw/zinc/89/73/12/398897312.db2.gz AIDWWIANQBSRRX-CHWSQXEVSA-N 1 0 309.410 2.983 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000142231308 398898193 /nfs/dbraw/zinc/89/81/93/398898193.db2.gz GBMMBDNEEMLFNV-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000595052024 398898361 /nfs/dbraw/zinc/89/83/61/398898361.db2.gz PPWQLSOSVFQDKN-TYNCELHUSA-N 1 0 308.378 2.805 20 5 DFBDRO COC[C@H](CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000595058452 398899275 /nfs/dbraw/zinc/89/92/75/398899275.db2.gz ARYUEOKDZUCCKT-BBRMVZONSA-N 1 0 322.405 2.958 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595066389 398901047 /nfs/dbraw/zinc/90/10/47/398901047.db2.gz WSCUMFQIBPWSSC-XXLGZCRASA-N 1 0 310.419 2.935 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000595067809 398901082 /nfs/dbraw/zinc/90/10/82/398901082.db2.gz IRXCZOOWKWFBLJ-ZWNOBZJWSA-N 1 0 300.305 2.978 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000595067806 398901134 /nfs/dbraw/zinc/90/11/34/398901134.db2.gz IRXCZOOWKWFBLJ-GXFFZTMASA-N 1 0 300.305 2.978 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595070555 398901946 /nfs/dbraw/zinc/90/19/46/398901946.db2.gz YAVSCBQOQOWLDJ-ZWNOBZJWSA-N 1 0 300.305 2.978 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCO[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000595070550 398902193 /nfs/dbraw/zinc/90/21/93/398902193.db2.gz YAVSCBQOQOWLDJ-GXFFZTMASA-N 1 0 300.305 2.978 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccoc1 ZINC000595079356 398902802 /nfs/dbraw/zinc/90/28/02/398902802.db2.gz WQNIQGJQSNAFQP-LBPRGKRZSA-N 1 0 317.345 2.737 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000089591957 192823844 /nfs/dbraw/zinc/82/38/44/192823844.db2.gz CIQHYZOFACHPSZ-LBPRGKRZSA-N 1 0 305.378 2.613 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000470156197 299292601 /nfs/dbraw/zinc/29/26/01/299292601.db2.gz KVEAYSYEYFJNGM-UMBJVVCDSA-N 1 0 318.373 2.882 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](CO)CC1CC1)C1CC1 ZINC000595090793 398903688 /nfs/dbraw/zinc/90/36/88/398903688.db2.gz RBXQBODBTOPWDT-RHSMWYFYSA-N 1 0 318.417 2.914 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595088396 398903702 /nfs/dbraw/zinc/90/37/02/398903702.db2.gz BQIJOCHYPIHIIY-UHOFOFEASA-N 1 0 304.390 2.809 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](CO)CC1CC1 ZINC000595089905 398904082 /nfs/dbraw/zinc/90/40/82/398904082.db2.gz QKCLQKOLNFNIIQ-UKRRQHHQSA-N 1 0 306.406 2.914 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000598989581 398904201 /nfs/dbraw/zinc/90/42/01/398904201.db2.gz MQAULNXOWOGYEL-LBPRGKRZSA-N 1 0 314.267 2.685 20 5 DFBDRO CCC[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OCC ZINC000598989421 398904218 /nfs/dbraw/zinc/90/42/18/398904218.db2.gz HPWJRSZLBMWLEB-CYBMUJFWSA-N 1 0 324.377 2.661 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595107412 398906425 /nfs/dbraw/zinc/90/64/25/398906425.db2.gz YHAKLTMWRZEMOT-OLZOCXBDSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1cc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])cc1OC ZINC000281004144 216016323 /nfs/dbraw/zinc/01/63/23/216016323.db2.gz PXLNCXYQDDLNAP-UHFFFAOYSA-N 1 0 321.377 2.652 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599023762 398909318 /nfs/dbraw/zinc/90/93/18/398909318.db2.gz WWSWNAQDUHLJKI-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599040337 398911501 /nfs/dbraw/zinc/91/15/01/398911501.db2.gz ITHNNRNQTCCTNL-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000595229083 398911825 /nfs/dbraw/zinc/91/18/25/398911825.db2.gz QGVGPICBULHHRN-RISCZKNCSA-N 1 0 305.378 2.528 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066618 398916281 /nfs/dbraw/zinc/91/62/81/398916281.db2.gz TVSHSCQMMGCRGV-FZMZJTMJSA-N 1 0 313.348 2.975 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000187957373 200183378 /nfs/dbraw/zinc/18/33/78/200183378.db2.gz HPWDTYZYXIJPHG-LBPRGKRZSA-N 1 0 321.377 2.664 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599057064 398914335 /nfs/dbraw/zinc/91/43/35/398914335.db2.gz CDYIHQJMGVWNSS-DGCLKSJQSA-N 1 0 301.346 2.883 20 5 DFBDRO CCNC(=O)C(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599057463 398914338 /nfs/dbraw/zinc/91/43/38/398914338.db2.gz DUNGQEFKQDVRFT-UHFFFAOYSA-N 1 0 316.361 2.717 20 5 DFBDRO CC(C)CNC(=O)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000595286672 398915905 /nfs/dbraw/zinc/91/59/05/398915905.db2.gz FYPVQVWGOJYPIE-UHFFFAOYSA-N 1 0 307.394 2.579 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]CC1CC=CC1)c1cccc([N+](=O)[O-])c1 ZINC000599065150 398915897 /nfs/dbraw/zinc/91/58/97/398915897.db2.gz PAZNWURUXFWIHS-INIZCTEOSA-N 1 0 312.373 2.974 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599089036 398919181 /nfs/dbraw/zinc/91/91/81/398919181.db2.gz WIRPTTIDIKSRKZ-NSHDSACASA-N 1 0 317.345 2.945 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CC1CC(O)C1 ZINC000599083515 398918455 /nfs/dbraw/zinc/91/84/55/398918455.db2.gz YFXGBYNJDMEUPB-FQSHHYAASA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](CCCF)CC2)c2ncccc12 ZINC000599093008 398919969 /nfs/dbraw/zinc/91/99/69/398919969.db2.gz LVPFIFITIFYAMV-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000599093706 398920021 /nfs/dbraw/zinc/92/00/21/398920021.db2.gz QEIYZEMUBDKHSA-BLLLJJGKSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188420682 200243236 /nfs/dbraw/zinc/24/32/36/200243236.db2.gz PLJDLIKGIPJRBJ-INIZCTEOSA-N 1 0 300.362 2.764 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000237771655 202350875 /nfs/dbraw/zinc/35/08/75/202350875.db2.gz HBCNYPOOCHQLRO-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO CC[NH+](CC)CCN(Cc1onc(C)c1[N+](=O)[O-])CC(C)C ZINC000595339530 398924385 /nfs/dbraw/zinc/92/43/85/398924385.db2.gz QVYWRXXKXFLHPK-UHFFFAOYSA-N 1 0 312.414 2.691 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCO[C@@H]2CC2(F)F)C2CC2)c1 ZINC000595355016 398926286 /nfs/dbraw/zinc/92/62/86/398926286.db2.gz UDAGPMFGYRCKSV-CQSZACIVSA-N 1 0 312.316 2.983 20 5 DFBDRO O=c1[nH]ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599127143 398925329 /nfs/dbraw/zinc/92/53/29/398925329.db2.gz PQBRWFXHGVCNBU-GFCCVEGCSA-N 1 0 306.366 2.514 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000189084476 200346537 /nfs/dbraw/zinc/34/65/37/200346537.db2.gz BBZAREJVNTYMEV-ZDUSSCGKSA-N 1 0 319.405 2.790 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000595377228 398929709 /nfs/dbraw/zinc/92/97/09/398929709.db2.gz NAZBNBWILCNVRX-LBPRGKRZSA-N 1 0 304.325 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCCC2 ZINC000417311454 296008946 /nfs/dbraw/zinc/00/89/46/296008946.db2.gz LWEKNFWBOXAFKW-QEORTHHSSA-N 1 0 302.374 2.889 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cnccn1)CCCC2 ZINC000417314029 296009288 /nfs/dbraw/zinc/00/92/88/296009288.db2.gz XWHUPAWNHCLDRB-QGZVFWFLSA-N 1 0 312.373 2.985 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000189310928 200380742 /nfs/dbraw/zinc/38/07/42/200380742.db2.gz JVRAQMAUAZZKRY-OBJOEFQTSA-N 1 0 308.378 2.805 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417348750 296012464 /nfs/dbraw/zinc/01/24/64/296012464.db2.gz ZCXGDWRWZLYJSI-INIZCTEOSA-N 1 0 300.362 2.886 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424199 398935626 /nfs/dbraw/zinc/93/56/26/398935626.db2.gz ULKDHIOTESVIJX-QWHCGFSZSA-N 1 0 309.366 2.530 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363275 296013932 /nfs/dbraw/zinc/01/39/32/296013932.db2.gz ATQCCXGSPOAUQR-GXTWGEPZSA-N 1 0 313.348 2.975 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(C)C ZINC000417360231 296013561 /nfs/dbraw/zinc/01/35/61/296013561.db2.gz JTAIJZGAZRNSHN-KKUMJFAQSA-N 1 0 324.425 2.926 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC[C@@H]2CCCO2)C2CC2)c1 ZINC000153305585 398936082 /nfs/dbraw/zinc/93/60/82/398936082.db2.gz YCGCAUKDWQJEDA-KRWDZBQOSA-N 1 0 320.389 2.755 20 5 DFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCC2(CC1)OCCO2 ZINC000190172638 200497183 /nfs/dbraw/zinc/49/71/83/200497183.db2.gz OQNPNZKZSUNBQG-UHFFFAOYSA-N 1 0 320.389 2.960 20 5 DFBDRO Cn1cnc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417385733 296015748 /nfs/dbraw/zinc/01/57/48/296015748.db2.gz XZNAXBYHUTXNMV-QGZVFWFLSA-N 1 0 314.389 2.928 20 5 DFBDRO Cc1noc(CN2CCC=C(c3ccncc3)C2)c1[N+](=O)[O-] ZINC000595485029 398947939 /nfs/dbraw/zinc/94/79/39/398947939.db2.gz UROYYSAARFCURR-UHFFFAOYSA-N 1 0 300.318 2.576 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504402 398952483 /nfs/dbraw/zinc/95/24/83/398952483.db2.gz IPMOWWMNUOKHEY-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO Cc1cc(=O)[nH]c(C(C)(C)NCc2cccc([N+](=O)[O-])c2C)n1 ZINC000595517860 398955154 /nfs/dbraw/zinc/95/51/54/398955154.db2.gz FYOPUWYTICEPPV-UHFFFAOYSA-N 1 0 316.361 2.732 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H](C[NH+]3CCCCC3)C2)c(Cl)c1 ZINC000078424867 398955611 /nfs/dbraw/zinc/95/56/11/398955611.db2.gz JAOPZHBISOHDQS-GFCCVEGCSA-N 1 0 324.812 2.955 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000595525333 398956901 /nfs/dbraw/zinc/95/69/01/398956901.db2.gz RDOGDLDMWGRPDV-GDBMZVCRSA-N 1 0 308.353 2.621 20 5 DFBDRO COc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000078455934 398957232 /nfs/dbraw/zinc/95/72/32/398957232.db2.gz DFUPLUWJVZHCER-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471946746 299316368 /nfs/dbraw/zinc/31/63/68/299316368.db2.gz AVPCVKBLFLDWHX-HNNXBMFYSA-N 1 0 321.421 2.863 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOC2CCOCC2)C2CC2)cc1 ZINC000599339849 398956253 /nfs/dbraw/zinc/95/62/53/398956253.db2.gz WIEVHGMHKVRGHW-UHFFFAOYSA-N 1 0 320.389 2.755 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000595536124 398959229 /nfs/dbraw/zinc/95/92/29/398959229.db2.gz MQKBWWTYYJRGOR-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CCCCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000056284580 398959527 /nfs/dbraw/zinc/95/95/27/398959527.db2.gz VILLEWCGDQDBGI-UHFFFAOYSA-N 1 0 307.394 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000600133743 398963098 /nfs/dbraw/zinc/96/30/98/398963098.db2.gz ABROVECTADDVRV-UHFFFAOYSA-N 1 0 303.318 2.629 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078562967 398966816 /nfs/dbraw/zinc/96/68/16/398966816.db2.gz DRWYYQDBPHKKRF-NSHDSACASA-N 1 0 312.801 2.811 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078584067 398969819 /nfs/dbraw/zinc/96/98/19/398969819.db2.gz XYRHQXFMGZYPMB-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595568491 398976710 /nfs/dbraw/zinc/97/67/10/398976710.db2.gz VQKYACBCLOKAEZ-HUBLWGQQSA-N 1 0 303.362 2.796 20 5 DFBDRO COc1ccc(OCC[N@@H+]2C[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000595567537 398976870 /nfs/dbraw/zinc/97/68/70/398976870.db2.gz ROLHWEFIMQQGOH-JSGCOSHPSA-N 1 0 306.362 2.857 20 5 DFBDRO Cc1c(NC(=O)N(C)CCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000281484373 216334342 /nfs/dbraw/zinc/33/43/42/216334342.db2.gz VPHDJQOLBBBLCO-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000194035848 201166998 /nfs/dbraw/zinc/16/69/98/201166998.db2.gz GMUQWZUTSVCYKM-JHJVBQTASA-N 1 0 305.378 2.948 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000194415438 201222375 /nfs/dbraw/zinc/22/23/75/201222375.db2.gz AIBBYVJMLZXZEE-OAHLLOKOSA-N 1 0 300.362 2.538 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](CO)Cc1ccccc1 ZINC000595595213 398990232 /nfs/dbraw/zinc/99/02/32/398990232.db2.gz IHBZKXIPZGGGMJ-KRWDZBQOSA-N 1 0 300.358 2.630 20 5 DFBDRO Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000195308153 201376406 /nfs/dbraw/zinc/37/64/06/201376406.db2.gz UTIGPOREUDPERE-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C1CCC1 ZINC000595613881 399000649 /nfs/dbraw/zinc/00/06/49/399000649.db2.gz BNGRLMHEQMXHKZ-HNNXBMFYSA-N 1 0 308.378 2.633 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc(=O)c(OC)co1)c1cccc([N+](=O)[O-])c1 ZINC000271843852 209261095 /nfs/dbraw/zinc/26/10/95/209261095.db2.gz ZVEHFSPVWZANGR-AWEZNQCLSA-N 1 0 318.329 2.798 20 5 DFBDRO COC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791554 299338743 /nfs/dbraw/zinc/33/87/43/299338743.db2.gz RUDBEGVMNDDHID-NEPJUHHUSA-N 1 0 321.377 2.584 20 5 DFBDRO COC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C)c1[N+](=O)[O-] ZINC000474791557 299338855 /nfs/dbraw/zinc/33/88/55/299338855.db2.gz RUDBEGVMNDDHID-VXGBXAGGSA-N 1 0 321.377 2.584 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417842048 296056900 /nfs/dbraw/zinc/05/69/00/296056900.db2.gz GLIXMRLHVPAGGT-ZFWWWQNUSA-N 1 0 322.409 2.863 20 5 DFBDRO CC[C@H](NC(=O)N1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860939 296058521 /nfs/dbraw/zinc/05/85/21/296058521.db2.gz ZLSIVUDHJBIJOD-CABCVRRESA-N 1 0 320.393 2.569 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595631424 399010719 /nfs/dbraw/zinc/01/07/19/399010719.db2.gz ICCIOGMZQCMUAG-FVQBIDKESA-N 1 0 322.405 2.559 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552377 399012028 /nfs/dbraw/zinc/01/20/28/399012028.db2.gz AWJKZKZWRMDLEB-OLZOCXBDSA-N 1 0 308.403 2.944 20 5 DFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600229046 399013462 /nfs/dbraw/zinc/01/34/62/399013462.db2.gz NXJLYUBYECWECK-INIZCTEOSA-N 1 0 317.389 2.732 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599625049 399031959 /nfs/dbraw/zinc/03/19/59/399031959.db2.gz LBXCBNJRTZYZTJ-JFILPPLUSA-N 1 0 308.378 2.765 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599625051 399032120 /nfs/dbraw/zinc/03/21/20/399032120.db2.gz LBXCBNJRTZYZTJ-OQMKEHIESA-N 1 0 308.378 2.765 20 5 DFBDRO C[C@@H]1CC(F)(F)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599624768 399031761 /nfs/dbraw/zinc/03/17/61/399031761.db2.gz XWXQKWROBRAPFL-SNVBAGLBSA-N 1 0 313.304 2.653 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000418108912 296079086 /nfs/dbraw/zinc/07/90/86/296079086.db2.gz HIMOKXNGKPUEMT-WGRBQBNCSA-N 1 0 319.386 2.721 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418228958 296082349 /nfs/dbraw/zinc/08/23/49/296082349.db2.gz FZCGIBYGFFWWBV-SWLSCSKDSA-N 1 0 322.409 2.671 20 5 DFBDRO Cc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000092043254 193145375 /nfs/dbraw/zinc/14/53/75/193145375.db2.gz LLZYSDMWHPURHL-HZPDHXFCSA-N 1 0 303.406 2.819 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000595695496 399039046 /nfs/dbraw/zinc/03/90/46/399039046.db2.gz HZFDUKHFYLCKTR-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000057464612 399047032 /nfs/dbraw/zinc/04/70/32/399047032.db2.gz CWHFOOAZZNEJIE-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000079551220 399057171 /nfs/dbraw/zinc/05/71/71/399057171.db2.gz VPVQLPQBJVQQQW-UKRRQHHQSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000273612251 296094619 /nfs/dbraw/zinc/09/46/19/296094619.db2.gz RNLTYOMUZDZSRJ-MLGOLLRUSA-N 1 0 317.389 2.646 20 5 DFBDRO COCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000618275876 399065932 /nfs/dbraw/zinc/06/59/32/399065932.db2.gz FZJPFHXTGBSNNS-UHFFFAOYSA-N 1 0 318.377 2.862 20 5 DFBDRO COC(=O)C1C[C@@H](C)[NH+](Cc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000599704992 399071185 /nfs/dbraw/zinc/07/11/85/399071185.db2.gz FRYQJPLUAPWCPG-VXGBXAGGSA-N 1 0 306.362 2.757 20 5 DFBDRO C[N@H+](CCCNc1ncccc1[N+](=O)[O-])Cc1ccccc1 ZINC000057877763 399069158 /nfs/dbraw/zinc/06/91/58/399069158.db2.gz MSVOKKCMPSARPQ-UHFFFAOYSA-N 1 0 300.362 2.924 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292784192 284008214 /nfs/dbraw/zinc/00/82/14/284008214.db2.gz ULEWHMLMJDOHKV-MRZGDXHCSA-N 1 0 319.405 2.750 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)c1ccccc1 ZINC000181771030 296127160 /nfs/dbraw/zinc/12/71/60/296127160.db2.gz XWNNBVADQLJANS-CYBMUJFWSA-N 1 0 302.378 2.747 20 5 DFBDRO COC(=O)c1cc(NCC[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000079914704 399097107 /nfs/dbraw/zinc/09/71/07/399097107.db2.gz RILRDKZVNQHVRG-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000481196371 299392791 /nfs/dbraw/zinc/39/27/91/299392791.db2.gz XJXGHUGXDMBEIR-UNEWFSDZSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[C@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261729032 203102866 /nfs/dbraw/zinc/10/28/66/203102866.db2.gz KSEZWTBHYUCXDK-GLQYFDAESA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419376460 296137608 /nfs/dbraw/zinc/13/76/08/296137608.db2.gz TUKRYZJTNHUHIN-AVGNSLFASA-N 1 0 305.378 2.818 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000419374684 296137612 /nfs/dbraw/zinc/13/76/12/296137612.db2.gz QITNBGLMJZPNNI-XQQFMLRXSA-N 1 0 305.378 2.818 20 5 DFBDRO C[C@@H]1[C@H](C)C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000419370472 296137219 /nfs/dbraw/zinc/13/72/19/296137219.db2.gz JPLFIUTYXQQIOR-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000419369995 296137284 /nfs/dbraw/zinc/13/72/84/296137284.db2.gz ISJWAULJDYSJHG-AGIUHOORSA-N 1 0 305.378 2.534 20 5 DFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000419369996 296137296 /nfs/dbraw/zinc/13/72/96/296137296.db2.gz ISJWAULJDYSJHG-FRRDWIJNSA-N 1 0 305.378 2.534 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000600678633 399115729 /nfs/dbraw/zinc/11/57/29/399115729.db2.gz NRJWFIXATPVVRM-BBRMVZONSA-N 1 0 303.406 2.790 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000595873209 399118979 /nfs/dbraw/zinc/11/89/79/399118979.db2.gz YJOVXFITHWQBRT-OAHLLOKOSA-N 1 0 319.405 2.801 20 5 DFBDRO C[C@@H]1CC[C@@H](N[C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708821 399120898 /nfs/dbraw/zinc/12/08/98/399120898.db2.gz GPDZCQOVHCHBLA-DAXOMENPSA-N 1 0 303.406 2.646 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000060333535 399122428 /nfs/dbraw/zinc/12/24/28/399122428.db2.gz XRNMKBMRHFRKTE-ZDUSSCGKSA-N 1 0 305.378 2.941 20 5 DFBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093481304 193257960 /nfs/dbraw/zinc/25/79/60/193257960.db2.gz SMNSFHPGQWDIOT-SECBINFHSA-N 1 0 317.183 2.560 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000595889231 399123881 /nfs/dbraw/zinc/12/38/81/399123881.db2.gz SFTOLNCFZIEFEW-UHFFFAOYSA-N 1 0 321.402 2.528 20 5 DFBDRO Cc1ccoc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000093534650 193266432 /nfs/dbraw/zinc/26/64/32/193266432.db2.gz DLSRQVGZPWAZOP-GFCCVEGCSA-N 1 0 302.334 2.578 20 5 DFBDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000093899215 193324901 /nfs/dbraw/zinc/32/49/01/193324901.db2.gz QNBAAFGUGTVMAK-GFCCVEGCSA-N 1 0 307.394 2.532 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[NH+]1CCCCC1 ZINC000093969969 193332536 /nfs/dbraw/zinc/33/25/36/193332536.db2.gz RLNLZOLPXJNDTO-UHFFFAOYSA-N 1 0 319.405 2.736 20 5 DFBDRO CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000340526238 284189629 /nfs/dbraw/zinc/18/96/29/284189629.db2.gz OWRCKVPBTVZFCI-GXTWGEPZSA-N 1 0 303.366 2.624 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)C[C@@H]2CC2(C)C)c1 ZINC000595908322 399130412 /nfs/dbraw/zinc/13/04/12/399130412.db2.gz HJABWVPUPPMCEF-ZDUSSCGKSA-N 1 0 306.362 2.859 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C[C@H]1CC1(C)C ZINC000595911006 399131930 /nfs/dbraw/zinc/13/19/30/399131930.db2.gz WCCZUZFKPLWLNN-GFCCVEGCSA-N 1 0 305.378 2.901 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(CO)CC3)cs2)c1 ZINC000080246822 399131629 /nfs/dbraw/zinc/13/16/29/399131629.db2.gz SNXUJYJJCGUOBD-UHFFFAOYSA-N 1 0 319.386 2.580 20 5 DFBDRO CCOC(=O)c1cc(NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000420129482 296159286 /nfs/dbraw/zinc/15/92/86/296159286.db2.gz VCWWWEVNLYXSDZ-UHFFFAOYSA-N 1 0 321.377 2.845 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000420173713 296160353 /nfs/dbraw/zinc/16/03/53/296160353.db2.gz XPXKRTGGYMNZPP-VXGBXAGGSA-N 1 0 321.377 2.572 20 5 DFBDRO Cc1cc(N2CC[C@H](C[NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420172473 296160366 /nfs/dbraw/zinc/16/03/66/296160366.db2.gz PRBXBNMRKHHLTQ-SECBINFHSA-N 1 0 303.284 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420170401 296160367 /nfs/dbraw/zinc/16/03/67/296160367.db2.gz NDRBUQAOYTYPMR-VIFPVBQESA-N 1 0 301.293 2.608 20 5 DFBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000600758035 399137789 /nfs/dbraw/zinc/13/77/89/399137789.db2.gz VFWCMZGWCIKZPT-LAQFHYBYSA-N 1 0 317.389 2.949 20 5 DFBDRO [NH3+]C[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420169765 296160406 /nfs/dbraw/zinc/16/04/06/296160406.db2.gz LVCXYTBXHIUHFR-JTQLQIEISA-N 1 0 304.375 2.503 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420179238 296160626 /nfs/dbraw/zinc/16/06/26/296160626.db2.gz BWAQCZQIFURMEP-WCQYABFASA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H]1C[NH3+] ZINC000420179866 296160648 /nfs/dbraw/zinc/16/06/48/296160648.db2.gz CKOSUNUOGBHQSU-ABAIWWIYSA-N 1 0 300.362 2.707 20 5 DFBDRO CN(c1ccc(Br)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420141753 296159713 /nfs/dbraw/zinc/15/97/13/296159713.db2.gz SENFQJDAGULCAF-UHFFFAOYSA-N 1 0 314.183 2.546 20 5 DFBDRO Cc1cc(N2CCCC[C@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420161384 296159896 /nfs/dbraw/zinc/15/98/96/296159896.db2.gz CIDAAJVOQHARCY-LBPRGKRZSA-N 1 0 300.362 2.769 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420163125 296160150 /nfs/dbraw/zinc/16/01/50/296160150.db2.gz ZKIVQYDSFQPMHR-GFCCVEGCSA-N 1 0 318.402 2.907 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420186643 296161288 /nfs/dbraw/zinc/16/12/88/296161288.db2.gz MFYRYPVRLBLWBD-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420210610 296162493 /nfs/dbraw/zinc/16/24/93/296162493.db2.gz SGFCTIRHCTURII-SNVBAGLBSA-N 1 0 315.320 2.998 20 5 DFBDRO CCCN(c1nccc2cc([N+](=O)[O-])ccc21)[C@H]1CC[NH2+]C1 ZINC000420209420 296162549 /nfs/dbraw/zinc/16/25/49/296162549.db2.gz GOCAOQQNCAKHOH-AWEZNQCLSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420213818 296162652 /nfs/dbraw/zinc/16/26/52/296162652.db2.gz IDPRKQZORBUBKH-QWHCGFSZSA-N 1 0 312.373 2.830 20 5 DFBDRO C[C@H]1C[C@@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420217181 296162885 /nfs/dbraw/zinc/16/28/85/296162885.db2.gz NJVFGLORPVFABZ-QWRGUYRKSA-N 1 0 318.402 2.892 20 5 DFBDRO Cc1cc(NC[C@@H]2CC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420229561 296163977 /nfs/dbraw/zinc/16/39/77/296163977.db2.gz OCQLIVDWAGXAFK-SECBINFHSA-N 1 0 303.284 2.943 20 5 DFBDRO CO[C@@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)[C@@H](C)[NH3+] ZINC000600781171 399144316 /nfs/dbraw/zinc/14/43/16/399144316.db2.gz SYNRXMFUJXSNAB-PIGZYNQJSA-N 1 0 316.357 2.789 20 5 DFBDRO CC1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CC[NH2+]CC1 ZINC000420231491 296164256 /nfs/dbraw/zinc/16/42/56/296164256.db2.gz SBJUDWQKWIMPNJ-UHFFFAOYSA-N 1 0 315.320 2.998 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420249180 296165621 /nfs/dbraw/zinc/16/56/21/296165621.db2.gz XQTBQDSVRCVXAT-JTQLQIEISA-N 1 0 315.320 2.761 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000596014897 399148040 /nfs/dbraw/zinc/14/80/40/399148040.db2.gz WBSAFMKCMNGDJU-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2[NH2+]CCc3ccccc32)n1 ZINC000420254397 296166200 /nfs/dbraw/zinc/16/62/00/296166200.db2.gz RKJBMRMLMGVZDU-HNNXBMFYSA-N 1 0 312.373 2.906 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CCC[NH3+] ZINC000420256959 296166388 /nfs/dbraw/zinc/16/63/88/296166388.db2.gz HXQIGIKXJTVTJE-QMMMGPOBSA-N 1 0 315.757 2.574 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000264687923 204078441 /nfs/dbraw/zinc/07/84/41/204078441.db2.gz CYXRPSNYUKHGPF-NEPJUHHUSA-N 1 0 323.393 2.908 20 5 DFBDRO CCc1nn(C)c(NC[C@H]([NH3+])c2ccccc2CC)c1[N+](=O)[O-] ZINC000420263890 296166960 /nfs/dbraw/zinc/16/69/60/296166960.db2.gz ALZHMBLJCQVXKH-ZDUSSCGKSA-N 1 0 317.393 2.565 20 5 DFBDRO C[C@@]1(F)C[NH2+]CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000420263298 296167050 /nfs/dbraw/zinc/16/70/50/296167050.db2.gz NRIJWTFBWQQGSE-GFCCVEGCSA-N 1 0 321.274 2.751 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000420282006 296168907 /nfs/dbraw/zinc/16/89/07/296168907.db2.gz WIDLAKAQFCBBPN-DTWKUNHWSA-N 1 0 301.293 2.736 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264849888 204207241 /nfs/dbraw/zinc/20/72/41/204207241.db2.gz BUSKDZFFUFAMLV-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@H]1C[NH3+] ZINC000420289403 296169983 /nfs/dbraw/zinc/16/99/83/296169983.db2.gz UNLURUFFKGBGCA-DGCLKSJQSA-N 1 0 300.362 2.564 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000061509806 399156885 /nfs/dbraw/zinc/15/68/85/399156885.db2.gz GCCSMAHDUZMVRE-VMPITWQZSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000420291202 296170135 /nfs/dbraw/zinc/17/01/35/296170135.db2.gz XBUAPJISGSLZRU-VHSXEESVSA-N 1 0 315.320 2.617 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000080644664 399165947 /nfs/dbraw/zinc/16/59/47/399165947.db2.gz FLGXVPWTSZIXPV-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO C[C@@H]1CCC[C@](CNc2cc[nH]c(=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000596089237 399170103 /nfs/dbraw/zinc/17/01/03/399170103.db2.gz XBMPUAPFONTFNS-ABAIWWIYSA-N 1 0 308.382 2.618 20 5 DFBDRO O=c1[nH]ccc(NC2CC[NH+](CC3CCCC3)CC2)c1[N+](=O)[O-] ZINC000596093531 399170900 /nfs/dbraw/zinc/17/09/00/399170900.db2.gz FWYWTSMUJLWBQZ-UHFFFAOYSA-N 1 0 320.393 2.762 20 5 DFBDRO [NH3+][C@@H]1Cc2ccccc2N(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000420395829 296185720 /nfs/dbraw/zinc/18/57/20/296185720.db2.gz CMBUBIRCYJCOEB-GFCCVEGCSA-N 1 0 301.321 2.624 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400528 296186433 /nfs/dbraw/zinc/18/64/33/296186433.db2.gz IPCCJGFIMRNHAL-HIFRSBDPSA-N 1 0 321.421 2.799 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000596124090 399182189 /nfs/dbraw/zinc/18/21/89/399182189.db2.gz SCEOHSCRVRYWSB-LLVKDONJSA-N 1 0 310.785 2.708 20 5 DFBDRO COCCCn1nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282756427 217227387 /nfs/dbraw/zinc/22/73/87/217227387.db2.gz VNOIXKTWJRBEHM-CYBMUJFWSA-N 1 0 318.377 2.679 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1nccc3c1cccc3[N+](=O)[O-])C2 ZINC000600956269 399186472 /nfs/dbraw/zinc/18/64/72/399186472.db2.gz RDFQPTQMBIKNAM-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO C[NH2+]CCOCCNc1cc(C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000600952489 399185110 /nfs/dbraw/zinc/18/51/10/399185110.db2.gz XKRCHXMAYTVAAG-UHFFFAOYSA-N 1 0 321.299 2.570 20 5 DFBDRO CCC(=O)c1ccc(N[C@@H]2CC[NH2+]C23CCC3)c([N+](=O)[O-])c1 ZINC000600952138 399185186 /nfs/dbraw/zinc/18/51/86/399185186.db2.gz WXVDLWSYUOONDE-OAHLLOKOSA-N 1 0 303.362 2.884 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[NH2+]C23CCC3)cc1OC(F)F ZINC000600952284 399185490 /nfs/dbraw/zinc/18/54/90/399185490.db2.gz YKRCCQXNDNEREG-LBPRGKRZSA-N 1 0 313.304 2.893 20 5 DFBDRO [NH3+]C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600951751 399185833 /nfs/dbraw/zinc/18/58/33/399185833.db2.gz MTUFMBJIVDDGDU-WPRPVWTQSA-N 1 0 321.274 2.697 20 5 DFBDRO C[C@@H]1C[C@@H]([NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000600962910 399188438 /nfs/dbraw/zinc/18/84/38/399188438.db2.gz PCLHLJCAKUTQEN-MWLCHTKSSA-N 1 0 304.375 2.644 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000600959435 399187344 /nfs/dbraw/zinc/18/73/44/399187344.db2.gz WLZSYZOESRYYID-LBPRGKRZSA-N 1 0 300.362 2.851 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1NCc1cccc2c1CC[NH2+]C2 ZINC000600959383 399187529 /nfs/dbraw/zinc/18/75/29/399187529.db2.gz VKTQIENCQWEEEA-UHFFFAOYSA-N 1 0 318.764 2.901 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000266168483 205154530 /nfs/dbraw/zinc/15/45/30/205154530.db2.gz QFNXYFQBQCDALO-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000266170346 205155400 /nfs/dbraw/zinc/15/54/00/205155400.db2.gz QVIDDCFTJJUHIB-CQSZACIVSA-N 1 0 310.737 2.839 20 5 DFBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000266179552 205162351 /nfs/dbraw/zinc/16/23/51/205162351.db2.gz UUEPNVGDMJMHGD-INIZCTEOSA-N 1 0 304.346 2.802 20 5 DFBDRO COc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156394 399194278 /nfs/dbraw/zinc/19/42/78/399194278.db2.gz OVCFSSJEJLUNJJ-RYUDHWBXSA-N 1 0 305.378 2.949 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000266253064 205215969 /nfs/dbraw/zinc/21/59/69/205215969.db2.gz SLZUPASJLSWOAK-GFCCVEGCSA-N 1 0 323.418 2.604 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@H]1C(C)C ZINC000063618496 399198418 /nfs/dbraw/zinc/19/84/18/399198418.db2.gz KGYALILLFJISIR-AWEZNQCLSA-N 1 0 321.377 2.662 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nccc2c1cccc2[N+](=O)[O-] ZINC000420628035 296193675 /nfs/dbraw/zinc/19/36/75/296193675.db2.gz AFDBDZVPAMIDKN-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)c1 ZINC000420630779 296194098 /nfs/dbraw/zinc/19/40/98/296194098.db2.gz TZRAEBKOOQAECA-UHFFFAOYSA-N 1 0 321.377 2.666 20 5 DFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000601005692 399201152 /nfs/dbraw/zinc/20/11/52/399201152.db2.gz MRXIZAWCCUHMLF-LBPRGKRZSA-N 1 0 323.368 2.586 20 5 DFBDRO COC(=O)[C@]1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000282871226 217291181 /nfs/dbraw/zinc/29/11/81/217291181.db2.gz XYPZUYLBDUTIFD-MLGOLLRUSA-N 1 0 306.362 2.534 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011463 399203107 /nfs/dbraw/zinc/20/31/07/399203107.db2.gz RKGPFTXRPLUPCG-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000420635324 296194613 /nfs/dbraw/zinc/19/46/13/296194613.db2.gz MGUSDZUQRXSFIQ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000420636576 296194728 /nfs/dbraw/zinc/19/47/28/296194728.db2.gz NTADKPNQLDPBBQ-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO CS[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000342595242 284374760 /nfs/dbraw/zinc/37/47/60/284374760.db2.gz ZENRLVSMYMPEFD-KCPJHIHWSA-N 1 0 309.435 2.633 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCCSC2)c([N+](=O)[O-])cc1O ZINC000288505039 220184702 /nfs/dbraw/zinc/18/47/02/220184702.db2.gz SHKQDQJTWHYKGJ-SNVBAGLBSA-N 1 0 312.391 2.542 20 5 DFBDRO CC(C)(C)OCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000618761696 399231665 /nfs/dbraw/zinc/23/16/65/399231665.db2.gz QFRZKKSALMWYRP-UHFFFAOYSA-N 1 0 310.398 2.633 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601125161 399234003 /nfs/dbraw/zinc/23/40/03/399234003.db2.gz NDNPLXFCTJTCTR-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO COc1cncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1C ZINC000601118434 399232833 /nfs/dbraw/zinc/23/28/33/399232833.db2.gz MTZWSXJCKOWRLD-UHFFFAOYSA-N 1 0 301.346 2.905 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1[N+](=O)[O-] ZINC000267431678 206061166 /nfs/dbraw/zinc/06/11/66/206061166.db2.gz MRNPAZSUBUCDQE-CYBMUJFWSA-N 1 0 316.361 2.706 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139575 399239462 /nfs/dbraw/zinc/23/94/62/399239462.db2.gz GDOWCLUAUADNRT-SJKOYZFVSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601152195 399242649 /nfs/dbraw/zinc/24/26/49/399242649.db2.gz BUBJWYYTXJAGIA-QGZVFWFLSA-N 1 0 318.348 2.817 20 5 DFBDRO C[C@](CO)([NH2+]Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601149811 399241836 /nfs/dbraw/zinc/24/18/36/399241836.db2.gz PVXRBOKORNHCKE-MRXNPFEDSA-N 1 0 304.321 2.731 20 5 DFBDRO CN(CCC[N@H+](C)Cc1ccco1)c1ncc(F)cc1[N+](=O)[O-] ZINC000601164087 399245326 /nfs/dbraw/zinc/24/53/26/399245326.db2.gz UJZDWLGKERFLTJ-UHFFFAOYSA-N 1 0 322.340 2.680 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000267594126 206164570 /nfs/dbraw/zinc/16/45/70/206164570.db2.gz IPADETSOCKPMBZ-WFASDCNBSA-N 1 0 314.389 2.919 20 5 DFBDRO Cc1nc(N2CCC(C)([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000601216626 399256781 /nfs/dbraw/zinc/25/67/81/399256781.db2.gz TZDXDKOAPXEBJS-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1cnc(Nc2cnn(C3CC[NH+](C)CC3)c2)c([N+](=O)[O-])c1 ZINC000601226238 399259173 /nfs/dbraw/zinc/25/91/73/399259173.db2.gz MTJXKAFBPQEMGD-UHFFFAOYSA-N 1 0 316.365 2.505 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601250109 399263494 /nfs/dbraw/zinc/26/34/94/399263494.db2.gz KFDZRNIWSYMCDK-GFCCVEGCSA-N 1 0 323.368 2.680 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000421476579 296258629 /nfs/dbraw/zinc/25/86/29/296258629.db2.gz JYAUIYVOUOVZHV-ZIAGYGMSSA-N 1 0 319.405 2.766 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000421503869 296261384 /nfs/dbraw/zinc/26/13/84/296261384.db2.gz JNKQZMZLLFUCKP-UHFFFAOYSA-N 1 0 319.405 2.768 20 5 DFBDRO CS[C@@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000614977743 399287724 /nfs/dbraw/zinc/28/77/24/399287724.db2.gz HDGNKKDKTIIGQE-VXGBXAGGSA-N 1 0 313.448 2.672 20 5 DFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)Nc1ccc([N+](=O)[O-])cc1 ZINC000608912689 399301054 /nfs/dbraw/zinc/30/10/54/399301054.db2.gz ZNSSPMZVGYLLLL-UHFFFAOYSA-N 1 0 324.300 2.820 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601566175 399301416 /nfs/dbraw/zinc/30/14/16/399301416.db2.gz HDSKDWWFAKVHLZ-ZDUSSCGKSA-N 1 0 320.393 2.803 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@H+]2CCc3ccc(O)cc3CC2)cs1 ZINC000609133302 399304611 /nfs/dbraw/zinc/30/46/11/399304611.db2.gz IEOCNRXVPFSWNT-UHFFFAOYSA-N 1 0 304.371 2.963 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601596513 399305860 /nfs/dbraw/zinc/30/58/60/399305860.db2.gz QERYROPPPCBFCW-GXTWGEPZSA-N 1 0 319.405 2.676 20 5 DFBDRO COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000601622835 399310304 /nfs/dbraw/zinc/31/03/04/399310304.db2.gz WERLNEBVQJSVON-UHFFFAOYSA-N 1 0 319.317 2.510 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000609258487 399311118 /nfs/dbraw/zinc/31/11/18/399311118.db2.gz ZGLFVNSDHVYVSR-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000043149725 183341365 /nfs/dbraw/zinc/34/13/65/183341365.db2.gz PQHZRFFRWMEUNR-UHFFFAOYSA-N 1 0 320.393 2.709 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c([N+](=O)[O-])c1 ZINC000609384425 399316810 /nfs/dbraw/zinc/31/68/10/399316810.db2.gz UMBMIJIZXPEBTR-AWEZNQCLSA-N 1 0 303.362 2.694 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)[NH+](C)C ZINC000043596672 183375120 /nfs/dbraw/zinc/37/51/20/183375120.db2.gz YJURYCWECSAQNW-QMMMGPOBSA-N 1 0 302.172 2.719 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2cccnc2[N+](=O)[O-])ccc1F ZINC000609670636 399329428 /nfs/dbraw/zinc/32/94/28/399329428.db2.gz CCZYONBKSYBBDT-UHFFFAOYSA-N 1 0 304.325 2.803 20 5 DFBDRO CCCNC(=O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344877708 284701430 /nfs/dbraw/zinc/70/14/30/284701430.db2.gz UVBUHQDHZRKCHX-JLHYYAGUSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])cc2Cl)CC1 ZINC000609892121 399335527 /nfs/dbraw/zinc/33/55/27/399335527.db2.gz LESUUCSAQBBSIC-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC([NH+](C)C)CC1 ZINC000104945962 194054820 /nfs/dbraw/zinc/05/48/20/194054820.db2.gz QWFSBLXDEYQGMR-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000104970179 194059828 /nfs/dbraw/zinc/05/98/28/194059828.db2.gz JUEVZDPJPLDSFL-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CS[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCCC1 ZINC000273916178 211171023 /nfs/dbraw/zinc/17/10/23/211171023.db2.gz BBRMBXCYGLGHJY-CVEARBPZSA-N 1 0 321.446 2.606 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000610239998 399349749 /nfs/dbraw/zinc/34/97/49/399349749.db2.gz UAEIRMJPZUUASW-JKSUJKDBSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000619531772 399358710 /nfs/dbraw/zinc/35/87/10/399358710.db2.gz KWDWMFNXAMFDJQ-AWEZNQCLSA-N 1 0 307.394 2.566 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(Cn2cccn2)CC1 ZINC000105886319 194157911 /nfs/dbraw/zinc/15/79/11/194157911.db2.gz HIAUNUYMARPNBC-UHFFFAOYSA-N 1 0 300.362 2.704 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](C(F)F)CC1 ZINC000601973608 399372216 /nfs/dbraw/zinc/37/22/16/399372216.db2.gz RITNCSWQPUVQDW-CYBMUJFWSA-N 1 0 300.305 2.759 20 5 DFBDRO Cc1cc(N2C[C@@H](O)CC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000615730130 399378152 /nfs/dbraw/zinc/37/81/52/399378152.db2.gz DBDMWZFGVBQCBH-NSHDSACASA-N 1 0 323.299 2.658 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285045650 218269690 /nfs/dbraw/zinc/26/96/90/218269690.db2.gz IFSMSDPYYNGVSO-RISCZKNCSA-N 1 0 313.357 2.831 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC1CCCC1 ZINC000615724121 399377627 /nfs/dbraw/zinc/37/76/27/399377627.db2.gz KLDMJVHENCJHQK-UKTHLTGXSA-N 1 0 317.389 2.647 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285087238 218285450 /nfs/dbraw/zinc/28/54/50/218285450.db2.gz JWANAFCLMPGYJN-JTQLQIEISA-N 1 0 319.336 2.659 20 5 DFBDRO COC(=O)CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000610581741 399382570 /nfs/dbraw/zinc/38/25/70/399382570.db2.gz HWSGZSUUSMMLJS-UHFFFAOYSA-N 1 0 321.333 2.510 20 5 DFBDRO C[C@H]1C[C@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582602 399383003 /nfs/dbraw/zinc/38/30/03/399383003.db2.gz CSWGZLXXUPYRPL-NWDGAFQWSA-N 1 0 318.377 2.651 20 5 DFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285202041 218330913 /nfs/dbraw/zinc/33/09/13/218330913.db2.gz FKYIYKWEAOTJOU-ZIAGYGMSSA-N 1 0 300.305 2.920 20 5 DFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285202034 218331091 /nfs/dbraw/zinc/33/10/91/218331091.db2.gz FKYIYKWEAOTJOU-KGLIPLIRSA-N 1 0 300.305 2.920 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000285233288 218343205 /nfs/dbraw/zinc/34/32/05/218343205.db2.gz GDIJLLSYLNIECS-AWEZNQCLSA-N 1 0 318.373 2.555 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107523439 194255948 /nfs/dbraw/zinc/25/59/48/194255948.db2.gz TVZZRXVCDZPATG-GFCCVEGCSA-N 1 0 323.418 2.747 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cc1 ZINC000109756272 194282388 /nfs/dbraw/zinc/28/23/88/194282388.db2.gz BCOGCQZREQQYCE-STQMWFEESA-N 1 0 318.295 2.525 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([NH+](C)C)C1 ZINC000109808911 194287756 /nfs/dbraw/zinc/28/77/56/194287756.db2.gz RTFHOSJWVKLRNN-INIZCTEOSA-N 1 0 321.421 2.908 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000610682538 399392755 /nfs/dbraw/zinc/39/27/55/399392755.db2.gz PUBYRFZWTRTRPX-DAXOMENPSA-N 1 0 306.362 2.536 20 5 DFBDRO CC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000602115193 399397168 /nfs/dbraw/zinc/39/71/68/399397168.db2.gz GUYPUEIUHQIWLR-DOMZBBRYSA-N 1 0 305.378 2.504 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602126979 399398459 /nfs/dbraw/zinc/39/84/59/399398459.db2.gz YPUUQMMPKXZLRT-INIZCTEOSA-N 1 0 317.389 2.570 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000111158484 194397378 /nfs/dbraw/zinc/39/73/78/194397378.db2.gz HEYCIGSDQZNAFK-CHWSQXEVSA-N 1 0 309.797 2.965 20 5 DFBDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000268916005 207083919 /nfs/dbraw/zinc/08/39/19/207083919.db2.gz NTSPNDSDOFETFP-YVEFUNNKSA-N 1 0 316.357 2.988 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000055903094 184000100 /nfs/dbraw/zinc/00/01/00/184000100.db2.gz DLMPVUVHXVLMBQ-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422709111 296319669 /nfs/dbraw/zinc/31/96/69/296319669.db2.gz CSYUJZQXBPJJIZ-BZUAXINKSA-N 1 0 319.405 2.614 20 5 DFBDRO CC[C@H]([NH2+]CCN1C[C@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610798669 399407925 /nfs/dbraw/zinc/40/79/25/399407925.db2.gz MRBBNSQIVFWQRE-ZQIUZPCESA-N 1 0 321.421 2.745 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000610803579 399408012 /nfs/dbraw/zinc/40/80/12/399408012.db2.gz LKBKMKAQZLMACH-OAGGEKHMSA-N 1 0 304.390 2.809 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000610831055 399410803 /nfs/dbraw/zinc/41/08/03/399410803.db2.gz FNICWPDAWGSAGS-SNVBAGLBSA-N 1 0 305.359 2.946 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610815059 399409187 /nfs/dbraw/zinc/40/91/87/399409187.db2.gz ITIIZUOCIHFLCE-ZIAGYGMSSA-N 1 0 308.378 2.607 20 5 DFBDRO CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815073 399409192 /nfs/dbraw/zinc/40/91/92/399409192.db2.gz KYALUXYFBKBYBO-CJNGLKHVSA-N 1 0 308.378 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC[C@@H]1CCOC1 ZINC000610815090 399409244 /nfs/dbraw/zinc/40/92/44/399409244.db2.gz POMQIKZPLRVGNN-UONOGXRCSA-N 1 0 308.378 2.607 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(N(C)C)CCSC2)cc1[N+](=O)[O-] ZINC000269000848 207155305 /nfs/dbraw/zinc/15/53/05/207155305.db2.gz UTXPBNJUIUAQGO-CJNGLKHVSA-N 1 0 323.462 2.991 20 5 DFBDRO CCC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000611153937 399439381 /nfs/dbraw/zinc/43/93/81/399439381.db2.gz NZYJMOPURRDPCF-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CCC[N@@H+](C3CC3)CC2)cc1 ZINC000061040807 184160194 /nfs/dbraw/zinc/16/01/94/184160194.db2.gz SDZFZWOLRCANHL-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602432795 399442613 /nfs/dbraw/zinc/44/26/13/399442613.db2.gz IKOKYLWNMZLURI-CQSZACIVSA-N 1 0 319.405 2.650 20 5 DFBDRO Cn1cc(C[N@@H+]2CCCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602453780 399448395 /nfs/dbraw/zinc/44/83/95/399448395.db2.gz OXHFLXKQUBEQAG-MRXNPFEDSA-N 1 0 314.389 2.926 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269076197 207224303 /nfs/dbraw/zinc/22/43/03/207224303.db2.gz BVNBYTOQWFGVCY-LSDHHAIUSA-N 1 0 317.389 2.718 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000611274779 399456601 /nfs/dbraw/zinc/45/66/01/399456601.db2.gz GFARFZCGEBRMIC-WLYXZUNZSA-N 1 0 302.374 2.966 20 5 DFBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478450 399457338 /nfs/dbraw/zinc/45/73/38/399457338.db2.gz YKMBXFATLWLFAZ-DOMZBBRYSA-N 1 0 300.362 2.706 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000611280900 399457551 /nfs/dbraw/zinc/45/75/51/399457551.db2.gz MLOSYOXPLJTWDO-CQSZACIVSA-N 1 0 319.405 2.544 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337436 399463011 /nfs/dbraw/zinc/46/30/11/399463011.db2.gz GQZCZSLHSZTUKW-FZMZJTMJSA-N 1 0 308.378 2.805 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(CNCCC[NH+]3CCCCC3)nc2c1 ZINC000602511607 399464994 /nfs/dbraw/zinc/46/49/94/399464994.db2.gz IUSPAVYKKZZBTC-UHFFFAOYSA-N 1 0 318.377 2.702 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602519816 399467176 /nfs/dbraw/zinc/46/71/76/399467176.db2.gz BGTRTASXDJDNBH-CHWSQXEVSA-N 1 0 306.410 2.983 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602513811 399465741 /nfs/dbraw/zinc/46/57/41/399465741.db2.gz DQYSXRPAQRSFTH-GFCCVEGCSA-N 1 0 318.377 2.558 20 5 DFBDRO CN1CCC[C@@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602529924 399468875 /nfs/dbraw/zinc/46/88/75/399468875.db2.gz PZPAFPODDVGXSD-GFCCVEGCSA-N 1 0 317.311 2.797 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602519817 399467262 /nfs/dbraw/zinc/46/72/62/399467262.db2.gz BGTRTASXDJDNBH-OLZOCXBDSA-N 1 0 306.410 2.983 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269187847 207307743 /nfs/dbraw/zinc/30/77/43/207307743.db2.gz HDOYQSXSZUVWFW-NSHDSACASA-N 1 0 305.334 2.588 20 5 DFBDRO CC(C)C[C@@H](C[NH+](C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602538291 399470984 /nfs/dbraw/zinc/47/09/84/399470984.db2.gz CAGWQIKXWSQTBE-LBPRGKRZSA-N 1 0 320.393 2.802 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@H]1[NH3+] ZINC000269223625 207344445 /nfs/dbraw/zinc/34/44/45/207344445.db2.gz SNUPJLSKIHQQBC-BXKDBHETSA-N 1 0 319.386 2.619 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000066532398 184413536 /nfs/dbraw/zinc/41/35/36/184413536.db2.gz NUYBQTQYWAFHAT-NFAWXSAZSA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000422753966 296326843 /nfs/dbraw/zinc/32/68/43/296326843.db2.gz JBWKHUCSDAOGNA-UONOGXRCSA-N 1 0 319.405 2.638 20 5 DFBDRO CC[S@](=O)[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602565088 399477581 /nfs/dbraw/zinc/47/75/81/399477581.db2.gz PIAIBYBJGAXXPK-RQVMVGKASA-N 1 0 324.446 2.807 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000422763477 296328913 /nfs/dbraw/zinc/32/89/13/296328913.db2.gz OSHAOFOXKLGQLT-PBWFPOADSA-N 1 0 317.389 2.731 20 5 DFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000602580091 399481746 /nfs/dbraw/zinc/48/17/46/399481746.db2.gz MTSXMNHOWIZPEG-JTQLQIEISA-N 1 0 311.769 2.592 20 5 DFBDRO COc1cc(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000602587334 399484618 /nfs/dbraw/zinc/48/46/18/399484618.db2.gz ZWEWNUYTJXIYSW-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000602599508 399487523 /nfs/dbraw/zinc/48/75/23/399487523.db2.gz QSDDOAWIYSFAFH-XYPYZODXSA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CC34CCOCC4)nc2c1 ZINC000602625953 399494895 /nfs/dbraw/zinc/49/48/95/399494895.db2.gz VYIXILBKQUZZHA-LLVKDONJSA-N 1 0 317.345 2.642 20 5 DFBDRO CO[C@H](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000602629134 399495675 /nfs/dbraw/zinc/49/56/75/399495675.db2.gz IWJSFMMPTKMTDB-GFCCVEGCSA-N 1 0 306.284 2.694 20 5 DFBDRO COc1cc(N(C)CC2([NH+](C)C)CCC2)c([N+](=O)[O-])cc1F ZINC000302481039 532950799 /nfs/dbraw/zinc/95/07/99/532950799.db2.gz GNPXWCAABSYBSV-UHFFFAOYSA-N 1 0 311.357 2.663 20 5 DFBDRO CO[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000602652316 399502712 /nfs/dbraw/zinc/50/27/12/399502712.db2.gz WSHLXZLOBGJIDX-QGZVFWFLSA-N 1 0 322.405 2.511 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1N ZINC000602659500 399505800 /nfs/dbraw/zinc/50/58/00/399505800.db2.gz RQNDFCYKWGSSRU-UHFFFAOYSA-N 1 0 303.337 2.991 20 5 DFBDRO C[NH2+]CC1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000422813069 296337998 /nfs/dbraw/zinc/33/79/98/296337998.db2.gz XIIPNVAWCVWBDT-UHFFFAOYSA-N 1 0 319.405 2.790 20 5 DFBDRO C[NH2+]C1CCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000422817373 296338719 /nfs/dbraw/zinc/33/87/19/296338719.db2.gz CYIKCRMTTICWCH-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@H](O)C1CC1 ZINC000602661579 399507312 /nfs/dbraw/zinc/50/73/12/399507312.db2.gz FQHPXARSUNGHPV-ZDUSSCGKSA-N 1 0 318.295 2.816 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422830635 296341067 /nfs/dbraw/zinc/34/10/67/296341067.db2.gz VZTVPEDBYGEHAS-CYBMUJFWSA-N 1 0 319.405 2.838 20 5 DFBDRO C[C@@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000611707731 399508177 /nfs/dbraw/zinc/50/81/77/399508177.db2.gz KVRRLBYVWGSKKL-MNOVXSKESA-N 1 0 313.361 2.575 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000422842594 296343054 /nfs/dbraw/zinc/34/30/54/296343054.db2.gz GBPMRWHRFKQYDH-UONOGXRCSA-N 1 0 319.405 2.719 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)CCNC(=O)C(C)C ZINC000347360085 285013456 /nfs/dbraw/zinc/01/34/56/285013456.db2.gz NZKVBEPMBSCWNG-GXDHUFHOSA-N 1 0 319.405 2.702 20 5 DFBDRO CCn1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000616786171 399512467 /nfs/dbraw/zinc/51/24/67/399512467.db2.gz NCOFVCMGSQBQQK-UHFFFAOYSA-N 1 0 303.362 2.927 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000347401340 285034106 /nfs/dbraw/zinc/03/41/06/285034106.db2.gz CUZLAEIEMPLALP-NEPJUHHUSA-N 1 0 313.361 2.577 20 5 DFBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602675536 399515875 /nfs/dbraw/zinc/51/58/75/399515875.db2.gz UEVZOWFLUNXZFF-YGRLFVJLSA-N 1 0 307.350 2.887 20 5 DFBDRO CO[C@H]([C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602680773 399518240 /nfs/dbraw/zinc/51/82/40/399518240.db2.gz KIEAVQFOSOPWOD-RFAUZJTJSA-N 1 0 305.334 2.639 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000602679790 399518316 /nfs/dbraw/zinc/51/83/16/399518316.db2.gz BVNBIDFLFRDHDP-GZMMTYOYSA-N 1 0 306.284 2.863 20 5 DFBDRO CO[C@@]1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602684625 399519633 /nfs/dbraw/zinc/51/96/33/399519633.db2.gz ICTBEGWYYGLWRP-NVXWUHKLSA-N 1 0 320.389 2.580 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nnc(C3CC3)s2)cc1 ZINC000602693424 399522796 /nfs/dbraw/zinc/52/27/96/399522796.db2.gz MIHQDPQBTKCSCK-UHFFFAOYSA-N 1 0 304.375 2.656 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000301333248 285077092 /nfs/dbraw/zinc/07/70/92/285077092.db2.gz FIXGSKGZAUPMIZ-OBJOEFQTSA-N 1 0 305.353 2.654 20 5 DFBDRO CC[C@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000616866205 399529095 /nfs/dbraw/zinc/52/90/95/399529095.db2.gz WGSRBXPUFHIOHM-INIZCTEOSA-N 1 0 317.345 2.909 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])on1 ZINC000602715310 399535228 /nfs/dbraw/zinc/53/52/28/399535228.db2.gz ZZILZJNRKSMJLK-LLVKDONJSA-N 1 0 305.334 2.702 20 5 DFBDRO CO[C@@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000602730953 399544659 /nfs/dbraw/zinc/54/46/59/399544659.db2.gz HAKGTIBLGYIGMO-DLBZAZTESA-N 1 0 322.405 2.597 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000611930156 399545105 /nfs/dbraw/zinc/54/51/05/399545105.db2.gz WWRVJUZEPLGYQK-APPDUMDISA-N 1 0 314.389 2.625 20 5 DFBDRO C[C@@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000294901060 533055590 /nfs/dbraw/zinc/05/55/90/533055590.db2.gz DTKMAWMPZQRUQH-CJNGLKHVSA-N 1 0 321.421 2.630 20 5 DFBDRO CC[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423045519 296371316 /nfs/dbraw/zinc/37/13/16/296371316.db2.gz SLESRDYWNDUMPG-KGLIPLIRSA-N 1 0 311.813 2.911 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286305918 218907593 /nfs/dbraw/zinc/90/75/93/218907593.db2.gz VVSGVQBPDHRNDT-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000602735798 399547882 /nfs/dbraw/zinc/54/78/82/399547882.db2.gz KTYCIEFJQUHHPO-QKIRZYONSA-N 1 0 317.389 2.599 20 5 DFBDRO CCC1([NH+](C)C)CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000602739077 399550453 /nfs/dbraw/zinc/55/04/53/399550453.db2.gz QDGVLXBDVJANCW-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000423071491 296374950 /nfs/dbraw/zinc/37/49/50/296374950.db2.gz OKSPKLLDBUOYRA-CJNGLKHVSA-N 1 0 319.405 2.720 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)cc1 ZINC000275457846 285115710 /nfs/dbraw/zinc/11/57/10/285115710.db2.gz GWQANTMICWPUJO-DLBZAZTESA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000302015017 285116417 /nfs/dbraw/zinc/11/64/17/285116417.db2.gz BVMABJGIEPQZTR-HNNXBMFYSA-N 1 0 319.405 2.542 20 5 DFBDRO Cc1c(CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077012 296375711 /nfs/dbraw/zinc/37/57/11/296375711.db2.gz LBEJMFMOMQXFOR-PBHICJAKSA-N 1 0 313.401 2.951 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCCCC3)C2)nc1 ZINC000301203791 285124329 /nfs/dbraw/zinc/12/43/29/285124329.db2.gz RJROFWBJAXMBFK-HNNXBMFYSA-N 1 0 304.394 2.835 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000602767479 399562213 /nfs/dbraw/zinc/56/22/13/399562213.db2.gz WMEOKXMFHVZLDH-HNNXBMFYSA-N 1 0 300.362 2.589 20 5 DFBDRO COC[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000272892014 210280949 /nfs/dbraw/zinc/28/09/49/210280949.db2.gz YBSDHKAYIOKARJ-LBPRGKRZSA-N 1 0 301.346 2.924 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000158271694 197259183 /nfs/dbraw/zinc/25/91/83/197259183.db2.gz AYFJZSVVCOGLDQ-CYBMUJFWSA-N 1 0 302.378 2.920 20 5 DFBDRO C[C@@H]1OCC[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602783256 399571966 /nfs/dbraw/zinc/57/19/66/399571966.db2.gz KDOOFALRVINOOG-KBPBESRZSA-N 1 0 320.389 2.863 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCN1CCC1 ZINC000358342659 285161906 /nfs/dbraw/zinc/16/19/06/285161906.db2.gz FYUKLVRCLGWPJG-ZBFHGGJFSA-N 1 0 303.406 2.601 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CCN1CCOc2ccccc2[C@@H]1C ZINC000602788230 399573706 /nfs/dbraw/zinc/57/37/06/399573706.db2.gz NORSSEQUVYSHIH-LBPRGKRZSA-N 1 0 316.361 2.555 20 5 DFBDRO Cn1cc(C[NH2+][C@@H](c2ccccc2)C2CCC2)c([N+](=O)[O-])n1 ZINC000602792356 399576051 /nfs/dbraw/zinc/57/60/51/399576051.db2.gz OZNRAKFQGRMPGJ-HNNXBMFYSA-N 1 0 300.362 2.959 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)c1 ZINC000157554774 197196251 /nfs/dbraw/zinc/19/62/51/197196251.db2.gz QPQHQQZWOBQPKB-OAHLLOKOSA-N 1 0 304.325 2.768 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccccn2)n1 ZINC000351517563 285169796 /nfs/dbraw/zinc/16/97/96/285169796.db2.gz OBKCNJNPXINSIS-CABCVRRESA-N 1 0 315.377 2.502 20 5 DFBDRO Cn1cc(C[NH2+][C@@H](CC2CC2)c2ccccc2)c([N+](=O)[O-])n1 ZINC000602803848 399581442 /nfs/dbraw/zinc/58/14/42/399581442.db2.gz FCVJCXIBCNTFMC-HNNXBMFYSA-N 1 0 300.362 2.959 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCSC[C@@H]2c2ccccc2)c1 ZINC000174865058 285189153 /nfs/dbraw/zinc/18/91/53/285189153.db2.gz FLOFKLFDBMNMSY-OAHLLOKOSA-N 1 0 318.402 2.581 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000602825561 399590094 /nfs/dbraw/zinc/59/00/94/399590094.db2.gz GVWNOGRXIGENHV-UHFFFAOYSA-N 1 0 320.315 2.764 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1cccc(C)c1C ZINC000602836077 399594673 /nfs/dbraw/zinc/59/46/73/399594673.db2.gz FCXBPBIURHQTEL-UHFFFAOYSA-N 1 0 302.378 2.849 20 5 DFBDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271471329 208937928 /nfs/dbraw/zinc/93/79/28/208937928.db2.gz IXPVYTXTVLZJRQ-PVSQZPHNSA-N 1 0 324.446 2.663 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(F)(F)F)C[C@@H]1C ZINC000602838303 399596912 /nfs/dbraw/zinc/59/69/12/399596912.db2.gz BDNINQZPSPTTCM-ONGXEEELSA-N 1 0 320.315 2.763 20 5 DFBDRO COc1ccc(C)cc1[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602840019 399597598 /nfs/dbraw/zinc/59/75/98/399597598.db2.gz GVZZJEBZPBVXBP-GFCCVEGCSA-N 1 0 318.377 2.768 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000156058077 197083263 /nfs/dbraw/zinc/08/32/63/197083263.db2.gz LRNQNJZNXXUMAJ-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](NC[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349532 296407331 /nfs/dbraw/zinc/40/73/31/296407331.db2.gz VYSNHFTXXOJIHX-KDOFPFPSSA-N 1 0 311.385 2.883 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H](C)C2)cc1[N+](=O)[O-] ZINC000423386733 296411477 /nfs/dbraw/zinc/41/14/77/296411477.db2.gz RNMLFFMWKMXINP-MBNYWOFBSA-N 1 0 307.394 2.785 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294732153 224199030 /nfs/dbraw/zinc/19/90/30/224199030.db2.gz KRXZWMHGYLIGAW-MWLCHTKSSA-N 1 0 313.448 2.676 20 5 DFBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000294794286 224226702 /nfs/dbraw/zinc/22/67/02/224226702.db2.gz MGDRXPRQDOFWQC-KRWDZBQOSA-N 1 0 300.358 2.942 20 5 DFBDRO CC[N@H+]1[C@H](C)CN(CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000602875347 399612334 /nfs/dbraw/zinc/61/23/34/399612334.db2.gz ZUJKBGUCSNIYJS-GASCZTMLSA-N 1 0 321.421 2.778 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602883891 399614406 /nfs/dbraw/zinc/61/44/06/399614406.db2.gz YRJDXCUQIIWTRJ-ZDUSSCGKSA-N 1 0 302.334 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)c(F)c1 ZINC000602886749 399616151 /nfs/dbraw/zinc/61/61/51/399616151.db2.gz DPCYIXZYYLWJTI-CYBMUJFWSA-N 1 0 319.340 2.553 20 5 DFBDRO CC(C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000120582200 195195396 /nfs/dbraw/zinc/19/53/96/195195396.db2.gz GKHHQPNCBXTTCB-PBHICJAKSA-N 1 0 321.421 2.602 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271556235 209009495 /nfs/dbraw/zinc/00/94/95/209009495.db2.gz VUGQLCBMOGMMEP-JKSUJKDBSA-N 1 0 301.346 2.764 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271556233 209009776 /nfs/dbraw/zinc/00/97/76/209009776.db2.gz VUGQLCBMOGMMEP-HZPDHXFCSA-N 1 0 301.346 2.764 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577412 209027073 /nfs/dbraw/zinc/02/70/73/209027073.db2.gz RNRFAFNLIMMTBY-GUTXKFCHSA-N 1 0 308.378 2.597 20 5 DFBDRO CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271563310 209015911 /nfs/dbraw/zinc/01/59/11/209015911.db2.gz UOXMHFKTBUFKKD-RYUDHWBXSA-N 1 0 306.284 2.949 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000423598266 296432326 /nfs/dbraw/zinc/43/23/26/296432326.db2.gz VYISYOHDTMOALV-STQMWFEESA-N 1 0 305.378 2.520 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000602907313 399621741 /nfs/dbraw/zinc/62/17/41/399621741.db2.gz WBBKONFVBZDINN-OAHLLOKOSA-N 1 0 314.389 2.762 20 5 DFBDRO 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 ZINC000289620737 221107856 /nfs/dbraw/zinc/10/78/56/221107856.db2.gz LOISKTFTFIOUSM-WLRQEKSISA-N 1 0 302.374 2.758 20 5 DFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(C)c([N+](=O)[O-])c4)[C@H]1[C@H]3C2 ZINC000289620723 221108752 /nfs/dbraw/zinc/10/87/52/221108752.db2.gz LOISKTFTFIOUSM-CUINURIISA-N 1 0 302.374 2.758 20 5 DFBDRO CC[C@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000602924997 399629086 /nfs/dbraw/zinc/62/90/86/399629086.db2.gz SOCUMFSOFWBKFH-HNNXBMFYSA-N 1 0 306.341 2.845 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000602950890 399637029 /nfs/dbraw/zinc/63/70/29/399637029.db2.gz PAHXCARLYHXOGC-UHFFFAOYSA-N 1 0 322.409 2.732 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997508 399654440 /nfs/dbraw/zinc/65/44/40/399654440.db2.gz LUBVPJMTXYDJPX-DZKIICNBSA-N 1 0 308.353 2.859 20 5 DFBDRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602967289 399642574 /nfs/dbraw/zinc/64/25/74/399642574.db2.gz FTSAJIJOSKSMOH-VWYCJHECSA-N 1 0 320.315 2.843 20 5 DFBDRO CCC1([NH+](C)C)CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602967870 399642658 /nfs/dbraw/zinc/64/26/58/399642658.db2.gz SWFZCUPCOHYSJV-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO C[C@@H]1C[C@H](CC(F)(F)F)[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602967286 399642788 /nfs/dbraw/zinc/64/27/88/399642788.db2.gz FTSAJIJOSKSMOH-GMTAPVOTSA-N 1 0 320.315 2.843 20 5 DFBDRO CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612580297 399680666 /nfs/dbraw/zinc/68/06/66/399680666.db2.gz NVULQECGVIFFAR-YOEHRIQHSA-N 1 0 319.405 2.640 20 5 DFBDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000294985036 224359486 /nfs/dbraw/zinc/35/94/86/224359486.db2.gz GYCIDJGRYJRSEA-SECBINFHSA-N 1 0 318.320 2.835 20 5 DFBDRO CCC[C@@H]([NH3+])c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248365 399722419 /nfs/dbraw/zinc/72/24/19/399722419.db2.gz CGNIDEMOWIJNBF-BXUZGUMPSA-N 1 0 303.366 2.904 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCO[C@H](c2ccco2)C1 ZINC000120950176 195270126 /nfs/dbraw/zinc/27/01/26/195270126.db2.gz DFRCXXQPXORLOC-INIZCTEOSA-N 1 0 318.329 2.640 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121689932 195330718 /nfs/dbraw/zinc/33/07/18/195330718.db2.gz MTGXSJGDAQMSCT-OAGGEKHMSA-N 1 0 302.374 2.685 20 5 DFBDRO CCC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000121783234 195346343 /nfs/dbraw/zinc/34/63/43/195346343.db2.gz LWFKMYVKRFFWSB-QGZVFWFLSA-N 1 0 321.421 2.528 20 5 DFBDRO Cc1cc(C(=O)NCC[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000121998162 195387736 /nfs/dbraw/zinc/38/77/36/195387736.db2.gz DYCUBJCKCDCSHY-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000123062750 195539070 /nfs/dbraw/zinc/53/90/70/195539070.db2.gz IJOKBUCPHSYNKI-AWEZNQCLSA-N 1 0 319.405 2.816 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000296641662 533415571 /nfs/dbraw/zinc/41/55/71/533415571.db2.gz CEBRVMLKWYODSF-PXAZEXFGSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294966127 533513764 /nfs/dbraw/zinc/51/37/64/533513764.db2.gz ZEQLDCLXSUUKQW-ABAIWWIYSA-N 1 0 301.346 2.561 20 5 DFBDRO C[C@@H](CCCC[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000311019399 533540531 /nfs/dbraw/zinc/54/05/31/533540531.db2.gz QRGUZOKYXTZUAD-QMMMGPOBSA-N 1 0 317.187 2.682 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N(C)CCCC[NH+]1CCCCC1 ZINC000603422787 399771977 /nfs/dbraw/zinc/77/19/77/399771977.db2.gz IWSPFEUBXXRRIS-UHFFFAOYSA-N 1 0 323.441 2.822 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603407876 399768196 /nfs/dbraw/zinc/76/81/96/399768196.db2.gz IJUHBCDVRADYPL-UHFFFAOYSA-N 1 0 305.378 2.650 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000603426710 399774353 /nfs/dbraw/zinc/77/43/53/399774353.db2.gz ITPYQRICEJZMRZ-AWEZNQCLSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366629662 131046448 /nfs/dbraw/zinc/04/64/48/131046448.db2.gz NLLBFAJZPSSULN-IUODEOHRSA-N 1 0 306.362 2.604 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000266971625 285493637 /nfs/dbraw/zinc/49/36/37/285493637.db2.gz MCQFICBPNSYAGC-INIZCTEOSA-N 1 0 319.405 2.806 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000348522986 285583393 /nfs/dbraw/zinc/58/33/93/285583393.db2.gz AXNRUQUXFUBVKM-CHWSQXEVSA-N 1 0 300.305 2.887 20 5 DFBDRO Cc1ccnc(NC[C@H](Cc2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000301300796 543046491 /nfs/dbraw/zinc/04/64/91/543046491.db2.gz QWLNJGCPWNACBI-HNNXBMFYSA-N 1 0 314.389 2.883 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000604539175 399854006 /nfs/dbraw/zinc/85/40/06/399854006.db2.gz RMKXOXQOQCPBQF-ZDUSSCGKSA-N 1 0 306.366 2.589 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000072897493 145192612 /nfs/dbraw/zinc/19/26/12/145192612.db2.gz STWOHZFODOIAMV-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000163399151 145222510 /nfs/dbraw/zinc/22/25/10/145222510.db2.gz JWYJSAFDFNGADO-GFCCVEGCSA-N 1 0 305.378 2.868 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cccc1[N+](=O)[O-] ZINC000173054884 145331615 /nfs/dbraw/zinc/33/16/15/145331615.db2.gz LQUCXDSEWKBTDU-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000173255376 145339062 /nfs/dbraw/zinc/33/90/62/145339062.db2.gz PXKHXBPCCRPPTI-HNNXBMFYSA-N 1 0 317.389 2.589 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000173366713 145341327 /nfs/dbraw/zinc/34/13/27/145341327.db2.gz QAEAQBFRIYZZHH-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173395375 145342107 /nfs/dbraw/zinc/34/21/07/145342107.db2.gz HQDRUOZMPBNSRS-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173591453 145348885 /nfs/dbraw/zinc/34/88/85/145348885.db2.gz HSZWRZDDLJDOAL-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245896607 146108192 /nfs/dbraw/zinc/10/81/92/146108192.db2.gz KMZJETLNBHSABF-QWHCGFSZSA-N 1 0 305.378 2.536 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)CO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000247004074 146158588 /nfs/dbraw/zinc/15/85/88/146158588.db2.gz KATSUYNSRRQHSZ-KCXAZCMYSA-N 1 0 308.378 2.830 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000247349588 146166135 /nfs/dbraw/zinc/16/61/35/146166135.db2.gz JPZYEHMXUFGRMM-DZGCQCFKSA-N 1 0 319.405 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C1CC1 ZINC000249148516 146190120 /nfs/dbraw/zinc/19/01/20/146190120.db2.gz XGFNLTURMCSZLG-MAZHCROVSA-N 1 0 304.390 2.667 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000249889752 146208456 /nfs/dbraw/zinc/20/84/56/146208456.db2.gz SBYDAMJCZCIYPQ-SDDRHHMPSA-N 1 0 323.393 2.955 20 5 DFBDRO COCC1(CNc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000261598889 146244151 /nfs/dbraw/zinc/24/41/51/146244151.db2.gz BAFSVSOVHGOWAN-UHFFFAOYSA-N 1 0 313.785 2.676 20 5 DFBDRO [NH3+]C1(c2noc(CSc3ccc([N+](=O)[O-])cc3)n2)CCC1 ZINC000261610260 146246940 /nfs/dbraw/zinc/24/69/40/146246940.db2.gz ASIPUIKITSYQCK-UHFFFAOYSA-N 1 0 306.347 2.608 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cs1 ZINC000261701721 146262352 /nfs/dbraw/zinc/26/23/52/146262352.db2.gz JUHQMHULCFCZAX-AWEZNQCLSA-N 1 0 321.377 2.942 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261718296 146265616 /nfs/dbraw/zinc/26/56/16/146265616.db2.gz LSZJIKXASGMBTQ-MRXNPFEDSA-N 1 0 319.405 2.567 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261798577 146279095 /nfs/dbraw/zinc/27/90/95/146279095.db2.gz URFKLACFMOUVSC-HNNXBMFYSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1[N+](=O)[O-] ZINC000261932758 146304635 /nfs/dbraw/zinc/30/46/35/146304635.db2.gz SYOCKNNAKGKSLC-CYBMUJFWSA-N 1 0 321.377 2.840 20 5 DFBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000261975808 146312698 /nfs/dbraw/zinc/31/26/98/146312698.db2.gz QRYNNCBPSZXNAH-RYUDHWBXSA-N 1 0 300.362 2.943 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000354371751 147011366 /nfs/dbraw/zinc/01/13/66/147011366.db2.gz JRINKVBOXZGLPD-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1c([N+](=O)[O-])c(CC)nn1C ZINC000354564412 147079840 /nfs/dbraw/zinc/07/98/40/147079840.db2.gz KMJSVLQDSJDBHA-ZDUSSCGKSA-N 1 0 323.441 2.957 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000354706585 147121794 /nfs/dbraw/zinc/12/17/94/147121794.db2.gz BFAOCWYYEDKIMZ-JSGCOSHPSA-N 1 0 319.405 2.542 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355257205 147241707 /nfs/dbraw/zinc/24/17/07/147241707.db2.gz WGQXHZKMDOKKHH-INIZCTEOSA-N 1 0 319.405 2.979 20 5 DFBDRO Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cn2ccnc12 ZINC000355489206 147335444 /nfs/dbraw/zinc/33/54/44/147335444.db2.gz YXBQLEUYCUYAGH-UHFFFAOYSA-N 1 0 312.285 2.509 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1cccn1 ZINC000358013377 148211755 /nfs/dbraw/zinc/21/17/55/148211755.db2.gz ALYAUCFKXJALSN-CYBMUJFWSA-N 1 0 320.418 2.952 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000358169891 148270666 /nfs/dbraw/zinc/27/06/66/148270666.db2.gz DKYNBUCABVGNPJ-PNESKVBLSA-N 1 0 305.378 2.598 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CNc1cc[nH+]c(C)c1Cl ZINC000350285888 286024688 /nfs/dbraw/zinc/02/46/88/286024688.db2.gz IYBZQRSLOZPRHN-UHFFFAOYSA-N 1 0 307.737 2.994 20 5 DFBDRO C[C@H](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[S@](C)=O ZINC000358303321 148322474 /nfs/dbraw/zinc/32/24/74/148322474.db2.gz QPCZLCXKHFYRAO-SIMDFCGZSA-N 1 0 324.446 2.663 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000358378374 148345735 /nfs/dbraw/zinc/34/57/35/148345735.db2.gz VAMUBLDYLRHXBP-ZJUUUORDSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)Cc2cnccn2)cc1[N+](=O)[O-] ZINC000360855671 148955727 /nfs/dbraw/zinc/95/57/27/148955727.db2.gz FQRCFAFZYXTEGO-CHWSQXEVSA-N 1 0 300.362 2.975 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000361057379 149019368 /nfs/dbraw/zinc/01/93/68/149019368.db2.gz LYZQUXZJCINCMR-CYBMUJFWSA-N 1 0 309.414 2.652 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)C1CC1 ZINC000361070282 149022171 /nfs/dbraw/zinc/02/21/71/149022171.db2.gz VAMWHZYQTPJHIN-NVXWUHKLSA-N 1 0 315.417 2.742 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCN2CCCCC2=O)cccc1[N+](=O)[O-] ZINC000361218538 149057154 /nfs/dbraw/zinc/05/71/54/149057154.db2.gz ZSAVZPSJZWKBTB-AWEZNQCLSA-N 1 0 319.405 2.956 20 5 DFBDRO CC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361483300 149127516 /nfs/dbraw/zinc/12/75/16/149127516.db2.gz CZFJYLFHIFHTRY-UHFFFAOYSA-N 1 0 305.378 2.680 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC1CCC1 ZINC000361484087 149127592 /nfs/dbraw/zinc/12/75/92/149127592.db2.gz HKWOLVPQSMHVMD-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO Cc1cnn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000362684059 149341412 /nfs/dbraw/zinc/34/14/12/149341412.db2.gz FUBBIUWOIMOSCA-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC23CCC(CO)CC3)cc1[N+](=O)[O-] ZINC000371477594 150052880 /nfs/dbraw/zinc/05/28/80/150052880.db2.gz NMOXWAOWSMFCIU-UHFFFAOYSA-N 1 0 320.389 2.730 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000371480706 150054127 /nfs/dbraw/zinc/05/41/27/150054127.db2.gz QEHMRZLUCUGPEN-GXTWGEPZSA-N 1 0 300.362 2.765 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372197556 150148494 /nfs/dbraw/zinc/14/84/94/150148494.db2.gz QAODTWGNEJLPCV-CQSZACIVSA-N 1 0 320.389 2.927 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372356274 150166655 /nfs/dbraw/zinc/16/66/55/150166655.db2.gz IGRGYMVKPAYNKZ-SJORKVTESA-N 1 0 320.389 2.519 20 5 DFBDRO CCCC(=O)N1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000372427594 150171572 /nfs/dbraw/zinc/17/15/72/150171572.db2.gz HFZOFJUFDHUDSV-UHFFFAOYSA-N 1 0 319.405 2.738 20 5 DFBDRO CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372998090 150213763 /nfs/dbraw/zinc/21/37/63/150213763.db2.gz OTQHWHQQYIWIAG-ZBFHGGJFSA-N 1 0 324.425 2.760 20 5 DFBDRO COc1ccc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000351627298 286174493 /nfs/dbraw/zinc/17/44/93/286174493.db2.gz GCVASUWEQVPJAP-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc(N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000374153508 150313667 /nfs/dbraw/zinc/31/36/67/150313667.db2.gz JSKHNWBBJFRWGS-UONOGXRCSA-N 1 0 305.378 2.666 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374526644 150373232 /nfs/dbraw/zinc/37/32/32/150373232.db2.gz KDTINGJESZSEBL-NOLJZWGESA-N 1 0 306.362 2.584 20 5 DFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC000375057540 150394384 /nfs/dbraw/zinc/39/43/84/150394384.db2.gz BFKXTCGYRYYKMG-UHFFFAOYSA-N 1 0 315.304 2.632 20 5 DFBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000351738041 286206853 /nfs/dbraw/zinc/20/68/53/286206853.db2.gz VJCXALZIWVVSJQ-ZJUUUORDSA-N 1 0 300.305 2.778 20 5 DFBDRO COc1cc(C[N@H+](C[C@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351977932 286258940 /nfs/dbraw/zinc/25/89/40/286258940.db2.gz LZNGBGDNUKYKPW-CYBMUJFWSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1[nH+]ccc(NCCNc2ccccc2[N+](=O)[O-])c1Cl ZINC000352069783 286284998 /nfs/dbraw/zinc/28/49/98/286284998.db2.gz OCPFILIOUQEDHJ-UHFFFAOYSA-N 1 0 306.753 2.898 20 5 DFBDRO COC1CC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000352219879 286321004 /nfs/dbraw/zinc/32/10/04/286321004.db2.gz FZZBXAANHKKRJS-UHFFFAOYSA-N 1 0 308.378 2.991 20 5 DFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000352407505 286365911 /nfs/dbraw/zinc/36/59/11/286365911.db2.gz UVVDDGKBAPWCKW-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO CC(C)[C@H]1CN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000352422261 286369181 /nfs/dbraw/zinc/36/91/81/286369181.db2.gz QPSUNKVSHUZHRT-OAHLLOKOSA-N 1 0 313.348 2.645 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000371529541 292296664 /nfs/dbraw/zinc/29/66/64/292296664.db2.gz SQHQSYYBCBXCDR-JJRVBVJISA-N 1 0 303.406 2.990 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(O)CCOCC1 ZINC000353052830 286539406 /nfs/dbraw/zinc/53/94/06/286539406.db2.gz LNKYUJPBAZRRIL-SDNWHVSQSA-N 1 0 320.389 2.519 20 5 DFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182846974 158008585 /nfs/dbraw/zinc/00/85/85/158008585.db2.gz WEEVFMMIGDYVDV-MLGOLLRUSA-N 1 0 306.362 2.849 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000183372175 158017728 /nfs/dbraw/zinc/01/77/28/158017728.db2.gz CQQALSIQSHTGBV-KRWDZBQOSA-N 1 0 313.357 2.952 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000246871772 158103890 /nfs/dbraw/zinc/10/38/90/158103890.db2.gz CZNPULQJNZWBRZ-SLEUVZQESA-N 1 0 307.394 2.939 20 5 DFBDRO CN1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247022171 158113857 /nfs/dbraw/zinc/11/38/57/158113857.db2.gz LUPQONSVDYBHNA-JKSUJKDBSA-N 1 0 303.406 2.600 20 5 DFBDRO CN1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247022125 158113975 /nfs/dbraw/zinc/11/39/75/158113975.db2.gz LUPQONSVDYBHNA-HZPDHXFCSA-N 1 0 303.406 2.600 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000247175295 158122481 /nfs/dbraw/zinc/12/24/81/158122481.db2.gz STFMTPOOPPBNDW-YDHLFZDLSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@@H]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000247468964 158138180 /nfs/dbraw/zinc/13/81/80/158138180.db2.gz VBBHOHGAVCYNIB-IHRRRGAJSA-N 1 0 317.389 2.962 20 5 DFBDRO CCN1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248030146 158156592 /nfs/dbraw/zinc/15/65/92/158156592.db2.gz QDCBSQKLQKVJET-DLBZAZTESA-N 1 0 317.433 2.990 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247998288 158157478 /nfs/dbraw/zinc/15/74/78/158157478.db2.gz KCOLMTCCXLFQSB-XJKSGUPXSA-N 1 0 319.405 2.520 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248667359 158195726 /nfs/dbraw/zinc/19/57/26/158195726.db2.gz PNCNTHFDDOIYBS-VXGBXAGGSA-N 1 0 309.414 2.652 20 5 DFBDRO CCOC(=O)c1coc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000354588792 158235240 /nfs/dbraw/zinc/23/52/40/158235240.db2.gz XAPGMRDNGKPEMW-UHFFFAOYSA-N 1 0 318.329 2.697 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000355133393 158282261 /nfs/dbraw/zinc/28/22/61/158282261.db2.gz LVXCHZGFCNTZRV-CJNGLKHVSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000357024416 158350806 /nfs/dbraw/zinc/35/08/06/158350806.db2.gz NDKPPXAHEHSAGL-KGLIPLIRSA-N 1 0 321.421 2.906 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000493654268 299805272 /nfs/dbraw/zinc/80/52/72/299805272.db2.gz NVKLGFJDBUMZDG-KTKRTIGZSA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)(C)SCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374773382 158809635 /nfs/dbraw/zinc/80/96/35/158809635.db2.gz FKZQLDMYWWXGNT-UHFFFAOYSA-N 1 0 312.439 2.960 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430566854 296795640 /nfs/dbraw/zinc/79/56/40/296795640.db2.gz DKTSZAONYICCJZ-CZUORRHYSA-N 1 0 321.421 2.941 20 5 DFBDRO COc1cc(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000129079883 196017883 /nfs/dbraw/zinc/01/78/83/196017883.db2.gz PKVRPCZGDVNOPS-MFKMUULPSA-N 1 0 311.357 2.883 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000129378196 196043256 /nfs/dbraw/zinc/04/32/56/196043256.db2.gz NLHVWOVTZUZJJW-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000129763886 196074127 /nfs/dbraw/zinc/07/41/27/196074127.db2.gz FAAKSFAICMAKAK-GWCFXTLKSA-N 1 0 308.338 2.644 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000129810854 196077576 /nfs/dbraw/zinc/07/75/76/196077576.db2.gz LSOXOBZMQLHVSX-UHFFFAOYSA-N 1 0 311.407 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000131722211 196193930 /nfs/dbraw/zinc/19/39/30/196193930.db2.gz RWYHOWMSFMBTEF-OAHLLOKOSA-N 1 0 320.389 2.612 20 5 DFBDRO [NH3+][C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000132404508 196253823 /nfs/dbraw/zinc/25/38/23/196253823.db2.gz HXLCMFACFAAVCP-VIFPVBQESA-N 1 0 300.156 2.507 20 5 DFBDRO COc1ccc(OCC[N@H+](C)Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000132554890 196265206 /nfs/dbraw/zinc/26/52/06/196265206.db2.gz KAGZTPVVRHBRSS-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO CSC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000433065942 296897623 /nfs/dbraw/zinc/89/76/23/296897623.db2.gz FLWJJHJXLADIQA-NEPJUHHUSA-N 1 0 310.423 2.760 20 5 DFBDRO C[NH+](C)CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000054455620 425890364 /nfs/dbraw/zinc/89/03/64/425890364.db2.gz LKFIWZXIIUWQQC-UHFFFAOYSA-N 1 0 307.394 2.574 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000296680958 226115731 /nfs/dbraw/zinc/11/57/31/226115731.db2.gz IGZVPSGJTSRVFI-XJKSGUPXSA-N 1 0 316.357 2.685 20 5 DFBDRO CC[N@H+](C)CCNCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290943924 222019332 /nfs/dbraw/zinc/01/93/32/222019332.db2.gz UIJOXHQSCWOPOV-UHFFFAOYSA-N 1 0 306.193 2.943 20 5 DFBDRO C[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@H]1[NH+](C)C ZINC000297560101 227302558 /nfs/dbraw/zinc/30/25/58/227302558.db2.gz RLSAGXIRMZHSQZ-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294720013 533682806 /nfs/dbraw/zinc/68/28/06/533682806.db2.gz FIMVZHAQSRSEMK-NSHDSACASA-N 1 0 315.377 2.701 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CCC[N@@H+](C3CCCCC3)C2)nc1 ZINC000302106922 230096793 /nfs/dbraw/zinc/09/67/93/230096793.db2.gz AESSIERTUUNDSD-LBPRGKRZSA-N 1 0 305.382 2.594 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000065654144 425903269 /nfs/dbraw/zinc/90/32/69/425903269.db2.gz HUEJTGUQTKZOIQ-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066532181 425904591 /nfs/dbraw/zinc/90/45/91/425904591.db2.gz GOEKYUBCODZMOW-CHWSQXEVSA-N 1 0 305.378 2.821 20 5 DFBDRO O=C(NC1CC[NH+](CC2CCCC2)CC1)c1ccc([N+](=O)[O-])o1 ZINC000068812119 425921004 /nfs/dbraw/zinc/92/10/04/425921004.db2.gz PXYLFXGURCYKOQ-UHFFFAOYSA-N 1 0 321.377 2.572 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000124470320 425921128 /nfs/dbraw/zinc/92/11/28/425921128.db2.gz FKGZZPGAYOMWAI-CQSZACIVSA-N 1 0 319.405 2.693 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000026718421 425812956 /nfs/dbraw/zinc/81/29/56/425812956.db2.gz KVDIKVCKHANDLO-UHFFFAOYSA-N 1 0 311.385 2.960 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](CC(C)C)C(C)C ZINC000031582042 425835113 /nfs/dbraw/zinc/83/51/13/425835113.db2.gz MJOZTHPZZPWDRD-UHFFFAOYSA-N 1 0 323.393 2.908 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033471525 425842205 /nfs/dbraw/zinc/84/22/05/425842205.db2.gz AWAJXDOUTKUQCO-ZDUSSCGKSA-N 1 0 319.386 2.689 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[NH2+]C2)c(Br)c1 ZINC000044503150 425856995 /nfs/dbraw/zinc/85/69/95/425856995.db2.gz CPSHGBZCVJSGDE-VIFPVBQESA-N 1 0 314.183 2.769 20 5 DFBDRO O=[N+]([O-])c1ccn(CCN2CCc3cc(Cl)ccc3C2)n1 ZINC000192246096 268026704 /nfs/dbraw/zinc/02/67/04/268026704.db2.gz PXERCCLNIJBRLA-UHFFFAOYSA-N 1 0 306.753 2.503 20 5 DFBDRO CSc1ccc(C(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000192683955 268045417 /nfs/dbraw/zinc/04/54/17/268045417.db2.gz DVWYILHEAHXVLD-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192722802 268046979 /nfs/dbraw/zinc/04/69/79/268046979.db2.gz GZFGYNBUUQIYIM-DOTOQJQBSA-N 1 0 322.405 2.595 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194319529 268098366 /nfs/dbraw/zinc/09/83/66/268098366.db2.gz JDFKYGVOQMPKJE-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195163702 268128943 /nfs/dbraw/zinc/12/89/43/268128943.db2.gz VDACQBKEQRBXNK-WFASDCNBSA-N 1 0 317.389 2.652 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000249764363 268167313 /nfs/dbraw/zinc/16/73/13/268167313.db2.gz ZMSUVFVMWFUARS-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[N@@H+](Cc1ccncc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000270980688 268244087 /nfs/dbraw/zinc/24/40/87/268244087.db2.gz GDVVJGZUNWKHJR-INIZCTEOSA-N 1 0 301.346 2.545 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000296260212 268301189 /nfs/dbraw/zinc/30/11/89/268301189.db2.gz OCFUQCCOJJFJNM-CFVMTHIKSA-N 1 0 306.337 2.781 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)c(Cl)c1 ZINC000298733491 268317202 /nfs/dbraw/zinc/31/72/02/268317202.db2.gz UHOIRXNLQPMFHO-UHFFFAOYSA-N 1 0 313.785 2.773 20 5 DFBDRO Cc1ccc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c([N+](=O)[O-])c1 ZINC000301059653 268322170 /nfs/dbraw/zinc/32/21/70/268322170.db2.gz BHIULKYHOXDSMN-KRWDZBQOSA-N 1 0 320.437 2.587 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000308663290 268335399 /nfs/dbraw/zinc/33/53/99/268335399.db2.gz ANQPWZZRWVGZJA-UHFFFAOYSA-N 1 0 303.366 2.757 20 5 DFBDRO CC(C)(C)C[N@H+](CCCO)CCOc1ccccc1[N+](=O)[O-] ZINC000106934702 425981281 /nfs/dbraw/zinc/98/12/81/425981281.db2.gz BMQQJYVGRNAMPD-UHFFFAOYSA-N 1 0 310.394 2.704 20 5 DFBDRO C[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CCCC1 ZINC000071377600 425986131 /nfs/dbraw/zinc/98/61/31/425986131.db2.gz JEZORBZCHGLVMY-UHFFFAOYSA-N 1 0 309.395 2.590 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107635001 425997031 /nfs/dbraw/zinc/99/70/31/425997031.db2.gz FXIIMSSYGAQCNG-GFCCVEGCSA-N 1 0 323.418 2.747 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000069786643 425958044 /nfs/dbraw/zinc/95/80/44/425958044.db2.gz IFBVHRGIJMPKRD-UHFFFAOYSA-N 1 0 302.378 2.784 20 5 DFBDRO CC(C)[C@H](C(=O)NCc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000104274439 425962634 /nfs/dbraw/zinc/96/26/34/425962634.db2.gz TYMALTLVHAEACO-MRXNPFEDSA-N 1 0 319.405 2.722 20 5 DFBDRO COCC(C)(C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162225669 426057853 /nfs/dbraw/zinc/05/78/53/426057853.db2.gz TVLOHFSYSAZKGK-UHFFFAOYSA-N 1 0 317.183 2.872 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000162511052 426067466 /nfs/dbraw/zinc/06/74/66/426067466.db2.gz NZDPEPOKOKQGOK-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000126167991 426007961 /nfs/dbraw/zinc/00/79/61/426007961.db2.gz BOIQULSBUMPHSY-ZDUSSCGKSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000126170996 426008991 /nfs/dbraw/zinc/00/89/91/426008991.db2.gz QARZGLRQBFDVPK-GFCCVEGCSA-N 1 0 323.368 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCO[C@H](c3cccc(O)c3)C2)cc1 ZINC000126302280 426014099 /nfs/dbraw/zinc/01/40/99/426014099.db2.gz DLFJRRKKKGQOMY-KRWDZBQOSA-N 1 0 314.341 2.874 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072492478 426016844 /nfs/dbraw/zinc/01/68/44/426016844.db2.gz SNFDUKMRHWQDDN-CQSZACIVSA-N 1 0 319.405 2.926 20 5 DFBDRO CC[N@H+](CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000112928395 426098056 /nfs/dbraw/zinc/09/80/56/426098056.db2.gz ONYXJHYOSYRCPE-SOFGYWHQSA-N 1 0 323.368 2.594 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000163542551 426102946 /nfs/dbraw/zinc/10/29/46/426102946.db2.gz FNCAMCSZFRANGO-CQSZACIVSA-N 1 0 319.405 2.693 20 5 DFBDRO CN(C)[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202677 426126292 /nfs/dbraw/zinc/12/62/92/426126292.db2.gz NMUSPTZZFPCPKA-SJLPKXTDSA-N 1 0 317.433 2.846 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C(C)C)C2CCC2)c([N+](=O)[O-])c1 ZINC000077357297 426128756 /nfs/dbraw/zinc/12/87/56/426128756.db2.gz MQZDBFNAFMDSNH-UHFFFAOYSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N(C)C)CCOCC1 ZINC000168303628 426134589 /nfs/dbraw/zinc/13/45/89/426134589.db2.gz XCJBOZQVLHYTDY-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114459894 426136334 /nfs/dbraw/zinc/13/63/34/426136334.db2.gz JIUPHKUQLHBXOZ-HOTGVXAUSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000127761863 426084775 /nfs/dbraw/zinc/08/47/75/426084775.db2.gz CKPTXJJUGFEJKH-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834349 426086271 /nfs/dbraw/zinc/08/62/71/426086271.db2.gz TXWJYWMOZSNYCZ-MRXNPFEDSA-N 1 0 303.406 2.903 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000129757847 426140032 /nfs/dbraw/zinc/14/00/32/426140032.db2.gz GDFMNSPTKNMIFJ-ZANVPECISA-N 1 0 311.769 2.590 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000114675272 426140979 /nfs/dbraw/zinc/14/09/79/426140979.db2.gz UTPVEWYOIRVGCN-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000132868506 426170849 /nfs/dbraw/zinc/17/08/49/426170849.db2.gz UUSHKYCAIVAALK-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116126873 426180009 /nfs/dbraw/zinc/18/00/09/426180009.db2.gz CYWNLXMWCIGJNA-CQSZACIVSA-N 1 0 307.394 2.691 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000116130052 426180371 /nfs/dbraw/zinc/18/03/71/426180371.db2.gz YKEPTUQADHAQPL-OAHLLOKOSA-N 1 0 321.421 2.620 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000134083723 426184484 /nfs/dbraw/zinc/18/44/84/426184484.db2.gz LQZNPWZWNXHMGT-RBSFLKMASA-N 1 0 321.421 2.663 20 5 DFBDRO CS[C@@H]1CCCCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000134552256 426186994 /nfs/dbraw/zinc/18/69/94/426186994.db2.gz TWMMCMIDYSLVQK-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO CC[C@]1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000134546376 426187207 /nfs/dbraw/zinc/18/72/07/426187207.db2.gz KWZGJACAYWIBIF-BLLLJJGKSA-N 1 0 305.378 2.613 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000171375652 426187514 /nfs/dbraw/zinc/18/75/14/426187514.db2.gz HPTMMHSRPMPXTA-OCCSQVGLSA-N 1 0 306.362 2.741 20 5 DFBDRO CCC(CC)(CC)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000081219277 426221294 /nfs/dbraw/zinc/22/12/94/426221294.db2.gz OOOFSRNDJIUDCS-AWEZNQCLSA-N 1 0 310.394 2.893 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173664978 426245332 /nfs/dbraw/zinc/24/53/32/426245332.db2.gz PGYCBYYAYZZUOI-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000174345821 426253693 /nfs/dbraw/zinc/25/36/93/426253693.db2.gz FQCBVNVIHDMDLJ-ZDUSSCGKSA-N 1 0 319.405 2.571 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000174666569 426261867 /nfs/dbraw/zinc/26/18/67/426261867.db2.gz UZSHHHVPSGUJCM-UHFFFAOYSA-N 1 0 307.394 2.619 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000119104894 426263076 /nfs/dbraw/zinc/26/30/76/426263076.db2.gz WZKVEITYIQNMQM-UONOGXRCSA-N 1 0 308.378 2.749 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150851447 426264456 /nfs/dbraw/zinc/26/44/56/426264456.db2.gz KGNWQMWOTZUNJT-GFCCVEGCSA-N 1 0 323.418 2.747 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@H](c2ccco2)C1 ZINC000174882894 426267088 /nfs/dbraw/zinc/26/70/88/426267088.db2.gz MHBNXWDXXGTIJZ-OCCSQVGLSA-N 1 0 304.350 2.858 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H]3CO)o2)c1 ZINC000119279303 426275089 /nfs/dbraw/zinc/27/50/89/426275089.db2.gz NAGGDZYCDPNZCI-AWEZNQCLSA-N 1 0 302.330 2.812 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(CCc2cccc([N+](=O)[O-])c2)n1 ZINC000339397166 268807208 /nfs/dbraw/zinc/80/72/08/268807208.db2.gz QEHQOZVNMBQXKQ-ZDUSSCGKSA-N 1 0 304.350 2.809 20 5 DFBDRO CC(C)CO[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000119577199 426298370 /nfs/dbraw/zinc/29/83/70/426298370.db2.gz XKRMTZZHUIPBMM-CQSZACIVSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000175732043 426323869 /nfs/dbraw/zinc/32/38/69/426323869.db2.gz BONXCMPVWRVVLF-UKRRQHHQSA-N 1 0 321.421 2.766 20 5 DFBDRO C[C@H]1CC[C@H](C)[NH+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000122927854 426404199 /nfs/dbraw/zinc/40/41/99/426404199.db2.gz PVZXBEPYVJXDKA-RYUDHWBXSA-N 1 0 319.361 2.766 20 5 DFBDRO Cc1ccnc(N2CC[NH+](C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000152427824 426343226 /nfs/dbraw/zinc/34/32/26/426343226.db2.gz XAWAZFSCGHSAHT-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000121751308 426352323 /nfs/dbraw/zinc/35/23/23/426352323.db2.gz VETGUPMMKVDQAX-GHMZBOCLSA-N 1 0 311.332 2.936 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCCn2cccn2)cc1[N+](=O)[O-] ZINC000152766691 426353098 /nfs/dbraw/zinc/35/30/98/426353098.db2.gz BEJYWKGNYOIHIA-ZDUSSCGKSA-N 1 0 318.377 2.931 20 5 DFBDRO O=C(CN1C[C@@H]2CCC[C@@H]2C1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000152886675 426359478 /nfs/dbraw/zinc/35/94/78/426359478.db2.gz FNLNVLQKDGERSS-PHIMTYICSA-N 1 0 323.780 2.919 20 5 DFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176246355 426363057 /nfs/dbraw/zinc/36/30/57/426363057.db2.gz PZBCVCNUPJMACR-ZFWWWQNUSA-N 1 0 300.362 2.669 20 5 DFBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176244068 426363079 /nfs/dbraw/zinc/36/30/79/426363079.db2.gz GQPXOFJJEDQRBC-KRWDZBQOSA-N 1 0 314.389 2.845 20 5 DFBDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCn1ccc([N+](=O)[O-])n1)CCC2 ZINC000176240018 426363234 /nfs/dbraw/zinc/36/32/34/426363234.db2.gz POBAEQZCJCHVFG-GFCCVEGCSA-N 1 0 321.406 2.566 20 5 DFBDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000122401880 426374232 /nfs/dbraw/zinc/37/42/32/426374232.db2.gz MYZUGVJLZHINJT-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3C[C@H]4CCC[C@@H]4C3)n2)cc1 ZINC000153273242 426378352 /nfs/dbraw/zinc/37/83/52/426378352.db2.gz NJQNWFJSNRUHNW-CHWSQXEVSA-N 1 0 314.345 2.877 20 5 DFBDRO CC(C)(C)OC[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153300456 426379572 /nfs/dbraw/zinc/37/95/72/426379572.db2.gz MYKVEHGJWNZZLU-MRXNPFEDSA-N 1 0 322.405 2.735 20 5 DFBDRO COCCCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000122702534 426390106 /nfs/dbraw/zinc/39/01/06/426390106.db2.gz VYQGQYBIJGNIRL-UHFFFAOYSA-N 1 0 308.378 2.612 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000123172938 426417937 /nfs/dbraw/zinc/41/79/37/426417937.db2.gz OGRXGHZJECIKAE-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000123176643 426418195 /nfs/dbraw/zinc/41/81/95/426418195.db2.gz HOHIDPYRMTWZFH-HNNXBMFYSA-N 1 0 307.394 2.609 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123396992 426430607 /nfs/dbraw/zinc/43/06/07/426430607.db2.gz AKSDYYMVZKMILB-YOEHRIQHSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(C(F)(F)F)CC2)c1 ZINC000154380184 426437834 /nfs/dbraw/zinc/43/78/34/426437834.db2.gz LNFPETJDUPMMDA-CYBMUJFWSA-N 1 0 318.295 2.903 20 5 DFBDRO Cc1sc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123601502 426442874 /nfs/dbraw/zinc/44/28/74/426442874.db2.gz YINCVIBFTMDCCW-MWLCHTKSSA-N 1 0 311.407 2.519 20 5 DFBDRO CO[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000340793141 269014112 /nfs/dbraw/zinc/01/41/12/269014112.db2.gz ZRKYMPSULLZUOI-INIZCTEOSA-N 1 0 303.362 2.956 20 5 DFBDRO Cc1cc(NC[C@@]2(C)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340844406 269020788 /nfs/dbraw/zinc/02/07/88/269020788.db2.gz RUYCUTYMOWWXBA-MRXNPFEDSA-N 1 0 301.346 2.712 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341290395 269061294 /nfs/dbraw/zinc/06/12/94/269061294.db2.gz PGAFRHWPOCJXJX-STQMWFEESA-N 1 0 320.393 2.979 20 5 DFBDRO Cc1cnc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000341291225 269061476 /nfs/dbraw/zinc/06/14/76/269061476.db2.gz RZISWNPESKKRJF-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177220964 426455099 /nfs/dbraw/zinc/45/50/99/426455099.db2.gz QUTYUHUOFNJVQS-BXKDBHETSA-N 1 0 323.780 2.603 20 5 DFBDRO Cc1cc(NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1[N+](=O)[O-] ZINC000097473215 426467158 /nfs/dbraw/zinc/46/71/58/426467158.db2.gz XMBWNABQLBLWOJ-HNNXBMFYSA-N 1 0 307.394 2.672 20 5 DFBDRO CCC[NH+]1CCC(NCc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000098124485 426479874 /nfs/dbraw/zinc/47/98/74/426479874.db2.gz VYXFDNRJPNCEHA-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO CCCC(=O)N[C@@H]1CCCN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000101563497 426484678 /nfs/dbraw/zinc/48/46/78/426484678.db2.gz NJLZZXDYYXOTBR-GFCCVEGCSA-N 1 0 311.407 2.537 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000195343961 426518136 /nfs/dbraw/zinc/51/81/36/426518136.db2.gz PMNSNINKNOBVPW-ZDUSSCGKSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@H](NC(=O)N(C)CCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000186397009 426519611 /nfs/dbraw/zinc/51/96/11/426519611.db2.gz GICMEGKSXXQSFN-HNNXBMFYSA-N 1 0 322.409 2.639 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[N@H+]1CC=CCC1 ZINC000280254184 426531922 /nfs/dbraw/zinc/53/19/22/426531922.db2.gz NJRRNVVAOCOGDA-UHFFFAOYSA-N 1 0 316.283 2.682 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000280288038 426542370 /nfs/dbraw/zinc/54/23/70/426542370.db2.gz DYGMWMNYBABISV-CVEARBPZSA-N 1 0 308.378 2.519 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280299485 426543514 /nfs/dbraw/zinc/54/35/14/426543514.db2.gz FSFITURNNMIZOH-XJKCOSOUSA-N 1 0 306.362 2.536 20 5 DFBDRO CCOC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000186540941 426546820 /nfs/dbraw/zinc/54/68/20/426546820.db2.gz NPCCXWARNAGBBD-UHFFFAOYSA-N 1 0 312.366 2.517 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177488337 426489230 /nfs/dbraw/zinc/48/92/30/426489230.db2.gz KSMKTBBFEUFFAV-QWHCGFSZSA-N 1 0 305.378 2.506 20 5 DFBDRO CC(C)C1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000186196446 426493424 /nfs/dbraw/zinc/49/34/24/426493424.db2.gz OYCFVJRDTFCKFJ-UHFFFAOYSA-N 1 0 307.394 2.515 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000177692197 426505402 /nfs/dbraw/zinc/50/54/02/426505402.db2.gz FTZMZWYWDZFUIW-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c(C)c1 ZINC000280449736 426577342 /nfs/dbraw/zinc/57/73/42/426577342.db2.gz NNNCZZVFQIDSOM-OAHLLOKOSA-N 1 0 314.389 2.898 20 5 DFBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000280447088 426577819 /nfs/dbraw/zinc/57/78/19/426577819.db2.gz DKRPJMWIMWWIPA-UHFFFAOYSA-N 1 0 324.768 2.632 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206643 426587337 /nfs/dbraw/zinc/58/73/37/426587337.db2.gz RXWPQRZLLVPYFT-VXGBXAGGSA-N 1 0 305.378 2.948 20 5 DFBDRO COc1ccsc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289140175 426591648 /nfs/dbraw/zinc/59/16/48/426591648.db2.gz AFWTXYZGJNHKDL-UHFFFAOYSA-N 1 0 307.375 2.630 20 5 DFBDRO CCOc1cccc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000273213515 426616578 /nfs/dbraw/zinc/61/65/78/426616578.db2.gz UJFNNBRNUNDCHN-OLZOCXBDSA-N 1 0 305.378 2.666 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H](C)c1cccc(O)c1 ZINC000178375374 426618312 /nfs/dbraw/zinc/61/83/12/426618312.db2.gz RSANNMBTPMBMGH-GFCCVEGCSA-N 1 0 304.350 2.580 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)c1cccc(O)c1 ZINC000178375359 426618895 /nfs/dbraw/zinc/61/88/95/426618895.db2.gz RSANNMBTPMBMGH-LBPRGKRZSA-N 1 0 304.350 2.580 20 5 DFBDRO COCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273274945 426632211 /nfs/dbraw/zinc/63/22/11/426632211.db2.gz MXARQNOKMPFGGW-CABCVRRESA-N 1 0 320.345 2.589 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000230047929 426642069 /nfs/dbraw/zinc/64/20/69/426642069.db2.gz KJGOEBUYFNJRAM-DDTOSNHZSA-N 1 0 309.797 2.807 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000273409300 426659332 /nfs/dbraw/zinc/65/93/32/426659332.db2.gz HOVHZPOFHARMQO-UHFFFAOYSA-N 1 0 320.389 2.878 20 5 DFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000235464036 426661416 /nfs/dbraw/zinc/66/14/16/426661416.db2.gz CBYYAYHGISMNQF-LLVKDONJSA-N 1 0 309.366 2.598 20 5 DFBDRO Cc1cc(N[C@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235857918 426662376 /nfs/dbraw/zinc/66/23/76/426662376.db2.gz DIXCJNLMJDOXLV-VIFPVBQESA-N 1 0 314.183 2.830 20 5 DFBDRO CC(C)c1ccc(CN2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187545523 426669072 /nfs/dbraw/zinc/66/90/72/426669072.db2.gz BNZFHSJKQJYRPF-QGZVFWFLSA-N 1 0 320.389 2.710 20 5 DFBDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686710 426676672 /nfs/dbraw/zinc/67/66/72/426676672.db2.gz DTIZAAKHQLRXQH-QWHCGFSZSA-N 1 0 307.394 2.892 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686227 426677280 /nfs/dbraw/zinc/67/72/80/426677280.db2.gz AXUVQYLOHXRVTK-DZGCQCFKSA-N 1 0 319.405 2.953 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000281323539 426712930 /nfs/dbraw/zinc/71/29/30/426712930.db2.gz LJWBNTRLUVPXIT-UHFFFAOYSA-N 1 0 324.356 2.684 20 5 DFBDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000290231977 426721348 /nfs/dbraw/zinc/72/13/48/426721348.db2.gz IRQDPOTYXCYCSM-KCTSRDHCSA-N 1 0 314.341 2.740 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@H](C[NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000265797383 426691385 /nfs/dbraw/zinc/69/13/85/426691385.db2.gz JCYAFXHABBPFPX-CQSZACIVSA-N 1 0 317.389 2.720 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC=C(C)C2)c([N+](=O)[O-])c1 ZINC000280965404 426695230 /nfs/dbraw/zinc/69/52/30/426695230.db2.gz ZLZTZYXHJKKKCH-UHFFFAOYSA-N 1 0 319.361 2.584 20 5 DFBDRO O=[N+]([O-])c1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)nc1 ZINC000273620234 426698446 /nfs/dbraw/zinc/69/84/46/426698446.db2.gz OHUGPCRPMQSSGV-UHFFFAOYSA-N 1 0 313.361 2.767 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@@]12CCCO2 ZINC000273620514 426698556 /nfs/dbraw/zinc/69/85/56/426698556.db2.gz QNNSHRPTTFHNJM-BBWFWOEESA-N 1 0 320.389 2.719 20 5 DFBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cn1)[N@H+](C)Cc1ccccc1 ZINC000273639313 426701472 /nfs/dbraw/zinc/70/14/72/426701472.db2.gz RUXJIRRVTPLWBV-CYBMUJFWSA-N 1 0 315.377 2.707 20 5 DFBDRO O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc2c(c1)C[NH2+]C2 ZINC000188722803 426781751 /nfs/dbraw/zinc/78/17/51/426781751.db2.gz MKYAIHVQVXVOFZ-BQYQJAHWSA-N 1 0 323.352 2.528 20 5 DFBDRO COc1cc(CN(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])cc1F ZINC000274214587 426725546 /nfs/dbraw/zinc/72/55/46/426725546.db2.gz BJBZYNILHDZBGX-LBPRGKRZSA-N 1 0 312.341 2.743 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000266511657 426728869 /nfs/dbraw/zinc/72/88/69/426728869.db2.gz DTIXIHBDZLYJPY-UONOGXRCSA-N 1 0 315.377 2.660 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000245431983 426737248 /nfs/dbraw/zinc/73/72/48/426737248.db2.gz OKLQPZXGGKRBDN-HOCLYGCPSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000266565733 426740181 /nfs/dbraw/zinc/74/01/81/426740181.db2.gz ZOHAFPOHJZCLHR-YSVLISHTSA-N 1 0 320.389 2.599 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000245496464 426742528 /nfs/dbraw/zinc/74/25/28/426742528.db2.gz RLILVYVRQFDUCF-GDBMZVCRSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@@](C[NH3+])(NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC1 ZINC000179175578 426761827 /nfs/dbraw/zinc/76/18/27/426761827.db2.gz HVAFCYWXOUHFFM-HNNXBMFYSA-N 1 0 319.386 2.667 20 5 DFBDRO CC(C)c1ccc(C(=O)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000188925213 426800679 /nfs/dbraw/zinc/80/06/79/426800679.db2.gz WMTZRVCEVAGAHF-UHFFFAOYSA-N 1 0 319.405 2.934 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](OCCO)C2)cc1[N+](=O)[O-] ZINC000179576130 426803144 /nfs/dbraw/zinc/80/31/44/426803144.db2.gz KGQPUTBFJBHTCL-HNNXBMFYSA-N 1 0 322.405 2.692 20 5 DFBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)(C)n1cncn1 ZINC000290648321 426812307 /nfs/dbraw/zinc/81/23/07/426812307.db2.gz JWXNJLDXCKOJCR-SNVBAGLBSA-N 1 0 323.784 2.753 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000267037549 426814613 /nfs/dbraw/zinc/81/46/13/426814613.db2.gz MAOFYEMAGDEVGS-CYBMUJFWSA-N 1 0 307.394 2.519 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000189081363 426815522 /nfs/dbraw/zinc/81/55/22/426815522.db2.gz JHRUXLHJZFPNMG-GFCCVEGCSA-N 1 0 310.785 2.708 20 5 DFBDRO CC(=O)c1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290764901 426833603 /nfs/dbraw/zinc/83/36/03/426833603.db2.gz KNTQNMAUARZJNP-GWCFXTLKSA-N 1 0 303.362 2.835 20 5 DFBDRO COc1cc(N[C@H](C)C[N@H+](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000290799318 426840743 /nfs/dbraw/zinc/84/07/43/426840743.db2.gz YLDMSBINPZLQQH-LLVKDONJSA-N 1 0 311.382 2.753 20 5 DFBDRO COc1cc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000267199237 426843395 /nfs/dbraw/zinc/84/33/95/426843395.db2.gz IXOXFCWSNQUJHT-UHFFFAOYSA-N 1 0 307.394 2.912 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)CC)cc1[N+](=O)[O-] ZINC000189404822 426849990 /nfs/dbraw/zinc/84/99/90/426849990.db2.gz SKMYGWUCZPZBKI-RYUDHWBXSA-N 1 0 323.393 2.511 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000274578599 426795011 /nfs/dbraw/zinc/79/50/11/426795011.db2.gz NWGLZXZTUPTHOR-UHFFFAOYSA-N 1 0 317.345 2.507 20 5 DFBDRO Cc1cc(NC(=O)N2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000274577726 426795873 /nfs/dbraw/zinc/79/58/73/426795873.db2.gz CEIPFYFBDXRUGC-UHFFFAOYSA-N 1 0 318.377 2.605 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181444545 426948306 /nfs/dbraw/zinc/94/83/06/426948306.db2.gz QKSNYRZNKHYYOK-CJNGLKHVSA-N 1 0 322.405 2.976 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)c1cccnc1 ZINC000295429517 426954174 /nfs/dbraw/zinc/95/41/74/426954174.db2.gz FPRYUNJTANAWNW-QGZVFWFLSA-N 1 0 315.373 2.934 20 5 DFBDRO CC(C)(C)OC(=O)NCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291728697 426967305 /nfs/dbraw/zinc/96/73/05/426967305.db2.gz NNRRMVAUDFPLKP-UHFFFAOYSA-N 1 0 323.393 2.944 20 5 DFBDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283292977 426990421 /nfs/dbraw/zinc/99/04/21/426990421.db2.gz MTIPOOQAMKKENY-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO Cc1cc(N[C@H](C)c2ncn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275881495 426939961 /nfs/dbraw/zinc/93/99/61/426939961.db2.gz WRCSEXJXALMYRW-SNVBAGLBSA-N 1 0 312.333 2.753 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000283692192 427059405 /nfs/dbraw/zinc/05/94/05/427059405.db2.gz YVNIHLILJIXCOU-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO CC1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)OCCO1 ZINC000276352840 427043411 /nfs/dbraw/zinc/04/34/11/427043411.db2.gz WXFCWWZWNDVUNF-ZDUSSCGKSA-N 1 0 324.352 2.709 20 5 DFBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000182291847 427048250 /nfs/dbraw/zinc/04/82/50/427048250.db2.gz FVLCMPZONWHYNK-HZPDHXFCSA-N 1 0 308.378 2.911 20 5 DFBDRO CC(=O)c1cc(N2CC[NH+](C3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000283673246 427053344 /nfs/dbraw/zinc/05/33/44/427053344.db2.gz WYKMMEKVKKWTDI-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000292004229 427054450 /nfs/dbraw/zinc/05/44/50/427054450.db2.gz TUSYIVDPMNPLCI-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@H](C)C1 ZINC000248963006 427067828 /nfs/dbraw/zinc/06/78/28/427067828.db2.gz CETNYJYNQPEEBO-VXGBXAGGSA-N 1 0 323.418 2.607 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000276470578 427076399 /nfs/dbraw/zinc/07/63/99/427076399.db2.gz YRFFHYWZMSYOSO-UHFFFAOYSA-N 1 0 311.357 2.538 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249034481 427079634 /nfs/dbraw/zinc/07/96/34/427079634.db2.gz FTULDJKZNFYGIE-TYNCELHUSA-N 1 0 306.362 2.787 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276484558 427081534 /nfs/dbraw/zinc/08/15/34/427081534.db2.gz RGYJUWQFUYKWTF-UHFFFAOYSA-N 1 0 307.394 2.789 20 5 DFBDRO C[C@H]([NH2+]CCc1ccccc1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283890824 427091796 /nfs/dbraw/zinc/09/17/96/427091796.db2.gz CMSDGEWCTHQHBR-NSHDSACASA-N 1 0 301.346 2.776 20 5 DFBDRO CS[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000296152987 427092007 /nfs/dbraw/zinc/09/20/07/427092007.db2.gz GWUDAZNNTGNOKI-CYBMUJFWSA-N 1 0 323.418 2.669 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283886436 427092680 /nfs/dbraw/zinc/09/26/80/427092680.db2.gz AVBGFJIDHICXOX-HNNXBMFYSA-N 1 0 323.349 2.630 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000190415887 427099407 /nfs/dbraw/zinc/09/94/07/427099407.db2.gz DFBLYXDZOOMCJF-SWLSCSKDSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000249409948 427113475 /nfs/dbraw/zinc/11/34/75/427113475.db2.gz XTWZRPZSRRVRIB-NJZAAPMLSA-N 1 0 305.378 2.598 20 5 DFBDRO C[C@H]1CSCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000190460959 427115058 /nfs/dbraw/zinc/11/50/58/427115058.db2.gz XQJKITBTPVUDBT-GFCCVEGCSA-N 1 0 323.418 2.608 20 5 DFBDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000276801821 427123618 /nfs/dbraw/zinc/12/36/18/427123618.db2.gz MPVZFPUCQJGJHB-LLVKDONJSA-N 1 0 324.402 2.789 20 5 DFBDRO CCOCC[NH+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182751162 427138829 /nfs/dbraw/zinc/13/88/29/427138829.db2.gz AUCCRKOREJKJQK-OAHLLOKOSA-N 1 0 321.421 2.618 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000284133845 427138993 /nfs/dbraw/zinc/13/89/93/427138993.db2.gz PVEDWHHXYQLNNC-MNOVXSKESA-N 1 0 313.348 2.788 20 5 DFBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)O1 ZINC000284139345 427142392 /nfs/dbraw/zinc/14/23/92/427142392.db2.gz OSVWTXVWZCQVNV-ZDUSSCGKSA-N 1 0 323.349 2.939 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292249571 427144405 /nfs/dbraw/zinc/14/44/05/427144405.db2.gz XNUZBEHQPKOMNY-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO Cc1cccc2c1C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC2 ZINC000277283444 427150251 /nfs/dbraw/zinc/15/02/51/427150251.db2.gz SNGNDRXKOBCKCQ-GOSISDBHSA-N 1 0 312.369 2.995 20 5 DFBDRO CC(C)([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292266997 427153268 /nfs/dbraw/zinc/15/32/68/427153268.db2.gz ZEJOFAVACBTYND-VIFPVBQESA-N 1 0 306.284 2.733 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000171694233 271105368 /nfs/dbraw/zinc/10/53/68/271105368.db2.gz HCOGGWIJQBRVBB-LLVKDONJSA-N 1 0 323.418 2.669 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000171980347 271108007 /nfs/dbraw/zinc/10/80/07/271108007.db2.gz SBXLARHVHMBVRI-VAWYXSNFSA-N 1 0 319.405 2.846 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000174157551 271129409 /nfs/dbraw/zinc/12/94/09/271129409.db2.gz LONRYPFFTFAQAM-FDMDGMSGSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000175054314 271145340 /nfs/dbraw/zinc/14/53/40/271145340.db2.gz RRHSEGWIXXLRGV-NVXWUHKLSA-N 1 0 303.406 2.696 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1c[nH]c2ccccc12 ZINC000190503361 271211064 /nfs/dbraw/zinc/21/10/64/271211064.db2.gz TULKIEUWFRZBDF-UHFFFAOYSA-N 1 0 313.361 2.795 20 5 DFBDRO [NH3+]CC1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000238002632 271256345 /nfs/dbraw/zinc/25/63/45/271256345.db2.gz LZDQDYRMIAEGQB-UHFFFAOYSA-N 1 0 319.405 2.553 20 5 DFBDRO C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270445577 271293999 /nfs/dbraw/zinc/29/39/99/271293999.db2.gz KGJOTWSXOLQRDB-MRXNPFEDSA-N 1 0 303.406 2.759 20 5 DFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCC1 ZINC000270481606 271296030 /nfs/dbraw/zinc/29/60/30/271296030.db2.gz FUJQKZAUDVKOEK-UHFFFAOYSA-N 1 0 307.394 2.657 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000277364580 427178690 /nfs/dbraw/zinc/17/86/90/427178690.db2.gz WOHWNRFIVYTQBK-OAHLLOKOSA-N 1 0 319.405 2.942 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183051305 427190669 /nfs/dbraw/zinc/19/06/69/427190669.db2.gz QOTYMAUWCUDISE-NWDGAFQWSA-N 1 0 305.378 2.508 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183051326 427191647 /nfs/dbraw/zinc/19/16/47/427191647.db2.gz QOTYMAUWCUDISE-NEPJUHHUSA-N 1 0 305.378 2.508 20 5 DFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292763641 427199243 /nfs/dbraw/zinc/19/92/43/427199243.db2.gz KLGYKNGEAHKHMB-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296495662 427200396 /nfs/dbraw/zinc/20/03/96/427200396.db2.gz BNLMAWRKEDQPQZ-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000190951477 427212893 /nfs/dbraw/zinc/21/28/93/427212893.db2.gz VKKSUUPDWZQOTJ-UHFFFAOYSA-N 1 0 308.382 2.790 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000293145685 427225342 /nfs/dbraw/zinc/22/53/42/427225342.db2.gz UOZHXTHWCLPOLY-OAHLLOKOSA-N 1 0 322.405 2.882 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000330407346 427230491 /nfs/dbraw/zinc/23/04/91/427230491.db2.gz RKNUPMQZUYPYKK-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccccc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269702781 427255741 /nfs/dbraw/zinc/25/57/41/427255741.db2.gz MHSXXFHCJQGSOB-INIZCTEOSA-N 1 0 316.357 2.769 20 5 DFBDRO CCOCC(C)(C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000293240602 427258771 /nfs/dbraw/zinc/25/87/71/427258771.db2.gz LGKMZNYGKIDLED-UHFFFAOYSA-N 1 0 323.393 2.637 20 5 DFBDRO CO[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000191138177 427264819 /nfs/dbraw/zinc/26/48/19/427264819.db2.gz CRBJVJUNHZLLMT-JTQLQIEISA-N 1 0 307.375 2.843 20 5 DFBDRO COC[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000183442437 427270116 /nfs/dbraw/zinc/27/01/16/427270116.db2.gz GFHCULOBBWWLKU-HNNXBMFYSA-N 1 0 317.345 2.764 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338358403 427277184 /nfs/dbraw/zinc/27/71/84/427277184.db2.gz NFBHGBGJVIARBI-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000191175827 427278063 /nfs/dbraw/zinc/27/80/63/427278063.db2.gz LBJQUDXIWNLIKF-CHWSQXEVSA-N 1 0 308.378 2.597 20 5 DFBDRO CCC[C@]1([NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCOC1 ZINC000285659889 427301336 /nfs/dbraw/zinc/30/13/36/427301336.db2.gz SUYNEYUKDDMNOJ-INIZCTEOSA-N 1 0 322.361 2.510 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000183729436 427327205 /nfs/dbraw/zinc/32/72/05/427327205.db2.gz LFDGZRHSURTCDZ-IAGOWNOFSA-N 1 0 322.405 2.549 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1cc(OC)ccc1[N+](=O)[O-] ZINC000338706016 271581814 /nfs/dbraw/zinc/58/18/14/271581814.db2.gz QYHDYYBDEZXKJR-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000270367516 427335873 /nfs/dbraw/zinc/33/58/73/427335873.db2.gz AWKKMZCDZGNTGY-ZBFHGGJFSA-N 1 0 306.362 2.806 20 5 DFBDRO CO[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000338776696 271592308 /nfs/dbraw/zinc/59/23/08/271592308.db2.gz LQXBIVJUQIUICE-MRXNPFEDSA-N 1 0 301.346 2.710 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000183817421 427344567 /nfs/dbraw/zinc/34/45/67/427344567.db2.gz AMACXQBILXRDBW-CQSZACIVSA-N 1 0 310.737 2.839 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000331121303 427350908 /nfs/dbraw/zinc/35/09/08/427350908.db2.gz PPGIGWOWMXTGNL-MJBXVCDLSA-N 1 0 319.405 2.953 20 5 DFBDRO C[N@@H+]1CCc2ncnc(SCc3ccc([N+](=O)[O-])cc3)c2C1 ZINC000269882845 427297210 /nfs/dbraw/zinc/29/72/10/427297210.db2.gz ALJLCRRVYUFACF-UHFFFAOYSA-N 1 0 316.386 2.665 20 5 DFBDRO CO[C@H](C)C[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000285648283 427297701 /nfs/dbraw/zinc/29/77/01/427297701.db2.gz LPHNMUCVMLHSQO-GFCCVEGCSA-N 1 0 319.361 2.759 20 5 DFBDRO C[C@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628348 427386261 /nfs/dbraw/zinc/38/62/61/427386261.db2.gz HJGVYOGFVONQJO-STQMWFEESA-N 1 0 306.410 2.560 20 5 DFBDRO CCOc1cccc(N2CC[C@H]([NH+](CC)CC)C2)c1[N+](=O)[O-] ZINC000184126625 427397677 /nfs/dbraw/zinc/39/76/77/427397677.db2.gz HXGYPVLVCZZQJT-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000262305057 427356730 /nfs/dbraw/zinc/35/67/30/427356730.db2.gz RETZOSVCGJEJMD-IPYPFGDCSA-N 1 0 305.378 2.680 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285867117 427360289 /nfs/dbraw/zinc/36/02/89/427360289.db2.gz XYSHLBCVVZVOST-UHFFFAOYSA-N 1 0 320.393 2.935 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000184405791 427453024 /nfs/dbraw/zinc/45/30/24/427453024.db2.gz NSGFEHUULPRKKU-JSGCOSHPSA-N 1 0 312.341 2.790 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CCO)c1ccco1 ZINC000184503894 427474604 /nfs/dbraw/zinc/47/46/04/427474604.db2.gz SDUOHOWBRPFCDS-BOTMBNHJSA-N 1 0 302.330 2.914 20 5 DFBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293918105 427488965 /nfs/dbraw/zinc/48/89/65/427488965.db2.gz XERIWVYCSBYMEA-PXAZEXFGSA-N 1 0 315.373 2.735 20 5 DFBDRO COc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c([N+](=O)[O-])cc1F ZINC000184244757 427422935 /nfs/dbraw/zinc/42/29/35/427422935.db2.gz SYHBWBFQLVPFPQ-NSHDSACASA-N 1 0 324.352 2.743 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293753345 427427551 /nfs/dbraw/zinc/42/75/51/427427551.db2.gz OHBGHBHCJNLSGA-MEDUHNTESA-N 1 0 301.346 2.561 20 5 DFBDRO CC(C)N1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278358895 427430978 /nfs/dbraw/zinc/43/09/78/427430978.db2.gz BHKMIMWRYMCRTO-BBRMVZONSA-N 1 0 317.389 2.571 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@@]1=O ZINC000286147033 427436972 /nfs/dbraw/zinc/43/69/72/427436972.db2.gz VTIQSBIYCDOUHH-QUSSIACISA-N 1 0 310.419 2.635 20 5 DFBDRO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000286403497 427516667 /nfs/dbraw/zinc/51/66/67/427516667.db2.gz PUJPZBDPDUBCLP-NWDGAFQWSA-N 1 0 323.368 2.806 20 5 DFBDRO CN(c1ncc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286415382 427522146 /nfs/dbraw/zinc/52/21/46/427522146.db2.gz PKBFBKKOIWQAGI-FOSCPWQOSA-N 1 0 310.785 2.705 20 5 DFBDRO CC[N@H+](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000263735693 427555324 /nfs/dbraw/zinc/55/53/24/427555324.db2.gz NOMYFHVBHRQPRQ-UHFFFAOYSA-N 1 0 317.345 2.555 20 5 DFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271429200 427536114 /nfs/dbraw/zinc/53/61/14/427536114.db2.gz WFNOMMUQDZBVSQ-LLVKDONJSA-N 1 0 315.320 2.727 20 5 DFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271438318 427539409 /nfs/dbraw/zinc/53/94/09/427539409.db2.gz BPGWYIDHSZETQN-OLZOCXBDSA-N 1 0 305.378 2.821 20 5 DFBDRO CCC[C@H](C(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000271449046 427542189 /nfs/dbraw/zinc/54/21/89/427542189.db2.gz QWYRIWTYDOFBST-HUUCEWRRSA-N 1 0 307.394 2.892 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000298245221 427544720 /nfs/dbraw/zinc/54/47/20/427544720.db2.gz CUHOBZNOWYOGQR-RBSFLKMASA-N 1 0 310.419 2.636 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000293919164 427489386 /nfs/dbraw/zinc/48/93/86/427489386.db2.gz XSTUGAFGMLGRRG-YVEFUNNKSA-N 1 0 318.348 2.988 20 5 DFBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000279258960 427618047 /nfs/dbraw/zinc/61/80/47/427618047.db2.gz LZRJRSUJWXYICD-SWLSCSKDSA-N 1 0 317.389 2.652 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000192524322 427556435 /nfs/dbraw/zinc/55/64/35/427556435.db2.gz PNCNTHFDDOIYBS-RYUDHWBXSA-N 1 0 309.414 2.652 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000263739040 427556586 /nfs/dbraw/zinc/55/65/86/427556586.db2.gz ZUZYMNQNJXUDKZ-CQSZACIVSA-N 1 0 318.348 2.675 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)C ZINC000263775104 427568423 /nfs/dbraw/zinc/56/84/23/427568423.db2.gz KTPGTIWNVOQJTC-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]Cc2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000271533334 427576220 /nfs/dbraw/zinc/57/62/20/427576220.db2.gz SGFBCISZOYWAOL-JTQLQIEISA-N 1 0 304.350 2.876 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332326185 427581205 /nfs/dbraw/zinc/58/12/05/427581205.db2.gz OLRYFHDCESWMCP-RYUDHWBXSA-N 1 0 301.350 2.654 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CC2(C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000263844038 427588792 /nfs/dbraw/zinc/58/87/92/427588792.db2.gz ZENYCNCVKZSKRF-CQSZACIVSA-N 1 0 300.362 2.883 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@]2(O)CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279198051 427592170 /nfs/dbraw/zinc/59/21/70/427592170.db2.gz XBWXLMGDVHSWDW-GOEBONIOSA-N 1 0 322.430 2.775 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000185175157 427608416 /nfs/dbraw/zinc/60/84/16/427608416.db2.gz UPDVSRWYEWPEBS-ZJTSMVRJSA-N 1 0 317.389 2.549 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000272082015 427625736 /nfs/dbraw/zinc/62/57/36/427625736.db2.gz HJSHPLGJPNDLTG-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1ccc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000279310536 427635132 /nfs/dbraw/zinc/63/51/32/427635132.db2.gz NAPVHGVUOURSMD-MEDUHNTESA-N 1 0 306.362 2.603 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000264024827 427639119 /nfs/dbraw/zinc/63/91/19/427639119.db2.gz XYOHZCSLOQOYJF-DOTOQJQBSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000185435008 427651663 /nfs/dbraw/zinc/65/16/63/427651663.db2.gz GXALAMGCTOWNGO-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO C[N@H+](CC[C@H]1CCCO1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000342565685 272025553 /nfs/dbraw/zinc/02/55/53/272025553.db2.gz HNROUBHKVZGIBF-GFCCVEGCSA-N 1 0 305.334 2.737 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342579560 272027984 /nfs/dbraw/zinc/02/79/84/272027984.db2.gz UKCCGLYRQLFRQP-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO CC(=O)c1cc(N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000343220622 272098405 /nfs/dbraw/zinc/09/84/05/272098405.db2.gz YEPVRFXHSJVSIR-INIZCTEOSA-N 1 0 305.378 2.574 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000343246589 272103643 /nfs/dbraw/zinc/10/36/43/272103643.db2.gz FFHDNJHKQOFATB-CMPLNLGQSA-N 1 0 305.338 2.519 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000343321522 272118587 /nfs/dbraw/zinc/11/85/87/272118587.db2.gz LEGCDJVQDBTACS-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343446129 272148831 /nfs/dbraw/zinc/14/88/31/272148831.db2.gz LWGCXYWMUHLIQP-ZIAGYGMSSA-N 1 0 319.405 2.733 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000343576939 272175453 /nfs/dbraw/zinc/17/54/53/272175453.db2.gz TUSSJGDTWXLDNG-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(NCc2ccccc2Cn2ccnc2)cn1 ZINC000344422863 272329832 /nfs/dbraw/zinc/32/98/32/272329832.db2.gz CMHIMMCYEOAYAI-UHFFFAOYSA-N 1 0 309.329 2.847 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])nc2)[C@H](C)C1 ZINC000344425843 272330536 /nfs/dbraw/zinc/33/05/36/272330536.db2.gz WQESDTZEPVQZLK-HIFRSBDPSA-N 1 0 322.409 2.539 20 5 DFBDRO CC(C)(C)OC(=O)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344741622 272364610 /nfs/dbraw/zinc/36/46/10/272364610.db2.gz OAGQJGZSVOQTGV-UHFFFAOYSA-N 1 0 300.380 2.868 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1NCC1([NH+]2CCCC2)CCOCC1 ZINC000287950429 427721479 /nfs/dbraw/zinc/72/14/79/427721479.db2.gz QLBISWWLDWOHFF-UHFFFAOYSA-N 1 0 323.368 2.791 20 5 DFBDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344796482 272370950 /nfs/dbraw/zinc/37/09/50/272370950.db2.gz OQQFYRYNCIEKFV-GXIIQHASSA-N 1 0 317.389 2.502 20 5 DFBDRO CO[C@@H](CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(F)(F)F ZINC000344808520 272372258 /nfs/dbraw/zinc/37/22/58/272372258.db2.gz IEBKYYLVERJULX-LBPRGKRZSA-N 1 0 306.284 2.960 20 5 DFBDRO CCc1nc(CC[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)no1 ZINC000344830186 272375996 /nfs/dbraw/zinc/37/59/96/272375996.db2.gz RGTXHMQHJHRYAC-XFXZXTDPSA-N 1 0 316.361 2.776 20 5 DFBDRO CS[C@H](CO)[C@H](C)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344858269 272377617 /nfs/dbraw/zinc/37/76/17/272377617.db2.gz MHUPRAIYSWUFGB-WKHXAAGLSA-N 1 0 310.419 2.700 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCC(=O)NC1CC1 ZINC000344885626 272381274 /nfs/dbraw/zinc/38/12/74/272381274.db2.gz ULAXURIXVFPPMH-JLHYYAGUSA-N 1 0 317.389 2.647 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344910200 272384731 /nfs/dbraw/zinc/38/47/31/272384731.db2.gz FDJNJFJULVZXDY-WCQYABFASA-N 1 0 306.366 2.507 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCO[C@H]1CCOC1 ZINC000345045081 272397668 /nfs/dbraw/zinc/39/76/68/272397668.db2.gz STHAQZUQSNKWPE-SHRNQRGKSA-N 1 0 320.389 2.783 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](SC)C2)c([N+](=O)[O-])cc1OC ZINC000295080901 427685605 /nfs/dbraw/zinc/68/56/05/427685605.db2.gz QIQJWZJGVIVDMI-LLVKDONJSA-N 1 0 312.391 2.549 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CC[NH+](C)CC1 ZINC000298737256 427693219 /nfs/dbraw/zinc/69/32/19/427693219.db2.gz POWTWZFKNDBNGR-UHFFFAOYSA-N 1 0 317.345 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000339132066 427693644 /nfs/dbraw/zinc/69/36/44/427693644.db2.gz NAEZVRCUTFCVCE-CYBMUJFWSA-N 1 0 308.353 2.982 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000298763449 427700105 /nfs/dbraw/zinc/70/01/05/427700105.db2.gz VPVQLPQBJVQQQW-HIFRSBDPSA-N 1 0 318.377 2.652 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000287987183 427724142 /nfs/dbraw/zinc/72/41/42/427724142.db2.gz ATEOIHQQNFVJQC-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1nc(CC[N@@H+](C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000272330159 427712146 /nfs/dbraw/zinc/71/21/46/427712146.db2.gz MJHZRTQHMYAGHU-NSHDSACASA-N 1 0 304.350 2.830 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193853635 427719682 /nfs/dbraw/zinc/71/96/82/427719682.db2.gz UCNWPELISTYHDH-GFCCVEGCSA-N 1 0 316.361 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193865223 427720637 /nfs/dbraw/zinc/72/06/37/427720637.db2.gz RRLOZUBQZJWTGG-ZDUSSCGKSA-N 1 0 316.361 2.576 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000336858760 427763229 /nfs/dbraw/zinc/76/32/29/427763229.db2.gz BDJJPSIXIZHWIL-CYBMUJFWSA-N 1 0 305.378 2.648 20 5 DFBDRO CC1CC[NH+](C[C@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000299604264 427767119 /nfs/dbraw/zinc/76/71/19/427767119.db2.gz WHWHWOJJQYTHAQ-OAHLLOKOSA-N 1 0 318.421 2.938 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(COc2ccc([N+](=O)[O-])cc2)n1 ZINC000339396001 427767545 /nfs/dbraw/zinc/76/75/45/427767545.db2.gz SOYQPRHCVLVMSO-LBPRGKRZSA-N 1 0 306.322 2.603 20 5 DFBDRO CC1CC[NH+](CCNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000336871389 427769032 /nfs/dbraw/zinc/76/90/32/427769032.db2.gz FRRNXFJPXVEOMZ-UHFFFAOYSA-N 1 0 314.389 2.709 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428265 427772458 /nfs/dbraw/zinc/77/24/58/427772458.db2.gz GXHIJJJPAHRRLH-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C(=O)OC)c2)CC1 ZINC000301087401 427774270 /nfs/dbraw/zinc/77/42/70/427774270.db2.gz QQKGLPHOKIDBDX-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000336986407 427783615 /nfs/dbraw/zinc/78/36/15/427783615.db2.gz HOXDIILPHADMDC-ZDUSSCGKSA-N 1 0 308.382 2.693 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nccnc1C ZINC000339532201 427788833 /nfs/dbraw/zinc/78/88/33/427788833.db2.gz BBCYIZCTGJALOI-JLHYYAGUSA-N 1 0 312.373 2.929 20 5 DFBDRO COCC1=CCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000185899017 427727206 /nfs/dbraw/zinc/72/72/06/427727206.db2.gz GWKQPSBCSNUPEL-UHFFFAOYSA-N 1 0 310.325 2.521 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)NC1CC[NH+](CC2CC2)CC1 ZINC000194247896 427735488 /nfs/dbraw/zinc/73/54/88/427735488.db2.gz VYZWMJCNVMAQSG-UHFFFAOYSA-N 1 0 318.377 2.591 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000194416112 427740971 /nfs/dbraw/zinc/74/09/71/427740971.db2.gz HXYGRZHDZUZFBJ-UHFFFAOYSA-N 1 0 323.356 2.712 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301495147 427800343 /nfs/dbraw/zinc/80/03/43/427800343.db2.gz AKNCKXUJYRFQND-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301561289 427805545 /nfs/dbraw/zinc/80/55/45/427805545.db2.gz IMVIKHMPGLXERZ-DGCLKSJQSA-N 1 0 320.349 2.566 20 5 DFBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000345877190 272549044 /nfs/dbraw/zinc/54/90/44/272549044.db2.gz BTFRNQFNTLKPBN-UHFFFAOYSA-N 1 0 322.409 2.650 20 5 DFBDRO COc1ncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000337194343 427813346 /nfs/dbraw/zinc/81/33/46/427813346.db2.gz WEPXEYZOYIZGDK-NSHDSACASA-N 1 0 316.361 2.861 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339725576 427818318 /nfs/dbraw/zinc/81/83/18/427818318.db2.gz FWNJVUGQOODMKX-INIZCTEOSA-N 1 0 322.405 2.880 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000301804189 427826480 /nfs/dbraw/zinc/82/64/80/427826480.db2.gz VETGUPMMKVDQAX-MNOVXSKESA-N 1 0 311.332 2.936 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCOC[C@H]1CC1CCC1 ZINC000339773698 427827158 /nfs/dbraw/zinc/82/71/58/427827158.db2.gz WYBMNCWNDWRDEG-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc(C[NH2+]CC23CCC(CC2)C3)c([N+](=O)[O-])cc1O ZINC000339789516 427829446 /nfs/dbraw/zinc/82/94/46/427829446.db2.gz LCPMLGRKVUDMHA-UHFFFAOYSA-N 1 0 306.362 2.979 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H]1c1ccc(F)cc1 ZINC000301872746 427831445 /nfs/dbraw/zinc/83/14/45/427831445.db2.gz XIHPPIGPPBGIPY-HIFRSBDPSA-N 1 0 316.336 2.986 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413092 427842775 /nfs/dbraw/zinc/84/27/75/427842775.db2.gz OXJAHOPXCLSXCR-JYJNAYRXSA-N 1 0 308.378 2.566 20 5 DFBDRO CC(C)[N@H+](C)CC(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000345652014 427845649 /nfs/dbraw/zinc/84/56/49/427845649.db2.gz BBEVVAWMRRAMKC-OAHLLOKOSA-N 1 0 323.418 2.509 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[NH+]2CCC1CC2 ZINC000302743521 427862995 /nfs/dbraw/zinc/86/29/95/427862995.db2.gz DNQFHEJHNIXTIJ-UHFFFAOYSA-N 1 0 315.295 2.898 20 5 DFBDRO CCC(=O)c1ccc(NCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000359475702 427867783 /nfs/dbraw/zinc/86/77/83/427867783.db2.gz CVJAUHHHDJXLED-UHFFFAOYSA-N 1 0 305.378 2.941 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000337372782 427869708 /nfs/dbraw/zinc/86/97/08/427869708.db2.gz PLXIVYVUHRYBDQ-CHWSQXEVSA-N 1 0 320.393 2.979 20 5 DFBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000302784881 427870542 /nfs/dbraw/zinc/87/05/42/427870542.db2.gz UXZONKMAEVTCOE-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@H+]1C[C@H]2CN(c3c(Cl)cc([N+](=O)[O-])cc3Cl)C[C@H]2C1 ZINC000302868471 427882049 /nfs/dbraw/zinc/88/20/49/427882049.db2.gz XCETWLMBTRYYMD-DTORHVGOSA-N 1 0 316.188 2.899 20 5 DFBDRO CC1=CC[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302902568 427887969 /nfs/dbraw/zinc/88/79/69/427887969.db2.gz UGAXEESMXKAHMI-UHFFFAOYSA-N 1 0 302.378 2.627 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794398 427897607 /nfs/dbraw/zinc/89/76/07/427897607.db2.gz YZNWICZLNVREFB-GRYCIOLGSA-N 1 0 305.378 2.560 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000349965244 427910174 /nfs/dbraw/zinc/91/01/74/427910174.db2.gz LHMNCZFZNVBVGA-LBPRGKRZSA-N 1 0 308.382 2.753 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337448743 427910514 /nfs/dbraw/zinc/91/05/14/427910514.db2.gz DKLSGOYLOILUOT-BXKDBHETSA-N 1 0 311.769 2.965 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@H](C)O)C(C)C ZINC000304005319 427911594 /nfs/dbraw/zinc/91/15/94/427911594.db2.gz SQUHCTZVPHIHER-ZDUSSCGKSA-N 1 0 310.394 2.973 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C[C@@H](C)O)C(C)C ZINC000304005316 427911762 /nfs/dbraw/zinc/91/17/62/427911762.db2.gz SQUHCTZVPHIHER-CYBMUJFWSA-N 1 0 310.394 2.973 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000337480374 427923865 /nfs/dbraw/zinc/92/38/65/427923865.db2.gz VKZFZXWOOCWWJR-DGCLKSJQSA-N 1 0 319.361 2.671 20 5 DFBDRO Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000341046200 427976669 /nfs/dbraw/zinc/97/66/69/427976669.db2.gz AMKISGBQHBTLGK-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000341056261 427985107 /nfs/dbraw/zinc/98/51/07/427985107.db2.gz IQIYGHQXDPDTTI-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000359619352 427939112 /nfs/dbraw/zinc/93/91/12/427939112.db2.gz MXPXDNUVSONKGD-LBPRGKRZSA-N 1 0 305.378 2.565 20 5 DFBDRO CC(=O)c1ccc(NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413445960 428049827 /nfs/dbraw/zinc/04/98/27/428049827.db2.gz UDBHXCRSUOERBB-CYBMUJFWSA-N 1 0 305.378 2.941 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000341128735 427997272 /nfs/dbraw/zinc/99/72/72/427997272.db2.gz UZTXGBMZKMTWEM-JTQLQIEISA-N 1 0 311.411 2.836 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)[C@@H](C)C1 ZINC000413281785 428009309 /nfs/dbraw/zinc/00/93/09/428009309.db2.gz NWBLYKGHBBGLOF-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1 ZINC000341213786 428016388 /nfs/dbraw/zinc/01/63/88/428016388.db2.gz SKWNMQOCGWCGBD-HNNXBMFYSA-N 1 0 313.357 2.935 20 5 DFBDRO Cc1cc(N[C@@H](C)[C@@H](C)N2CCOCC2)c(F)cc1[N+](=O)[O-] ZINC000359909293 428072210 /nfs/dbraw/zinc/07/22/10/428072210.db2.gz HWECTOWIBWJJHO-NWDGAFQWSA-N 1 0 311.357 2.563 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000370057213 428122911 /nfs/dbraw/zinc/12/29/11/428122911.db2.gz VURNCIFKBDACFX-KRWDZBQOSA-N 1 0 314.389 2.882 20 5 DFBDRO C[C@H]1C[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000352356638 428131697 /nfs/dbraw/zinc/13/16/97/428131697.db2.gz MWSUNEVTVGBGNJ-WCQYABFASA-N 1 0 312.373 3.180 20 5 DFBDRO CCCC[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362479 428133580 /nfs/dbraw/zinc/13/35/80/428133580.db2.gz VSQKTAMKAHUKBA-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DFBDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535422 428138382 /nfs/dbraw/zinc/13/83/82/428138382.db2.gz QJHQSBMDEYPSRG-GJZGRUSLSA-N 1 0 319.405 2.520 20 5 DFBDRO CC[NH+](CC)CC[C@H](CO)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000360088138 428156749 /nfs/dbraw/zinc/15/67/49/428156749.db2.gz GLMMVXKQKXVHJE-GFCCVEGCSA-N 1 0 313.373 2.547 20 5 DFBDRO COc1cc(C[NH2+]C2CCC(F)(F)CC2)c([N+](=O)[O-])cc1O ZINC000341721012 428168387 /nfs/dbraw/zinc/16/83/87/428168387.db2.gz JJAKLHUPNSFFLL-UHFFFAOYSA-N 1 0 316.304 2.977 20 5 DFBDRO COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1[N+](=O)[O-] ZINC000352772141 428240919 /nfs/dbraw/zinc/24/09/19/428240919.db2.gz PEEGKKQYDFSPFJ-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CCn2ccnc2C1 ZINC000377683475 428193144 /nfs/dbraw/zinc/19/31/44/428193144.db2.gz ZKZVBVKEHUZUGX-HNNXBMFYSA-N 1 0 314.389 2.528 20 5 DFBDRO COC(=O)[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982743 428279083 /nfs/dbraw/zinc/27/90/83/428279083.db2.gz ANFCFIYWFXRUBS-BXUZGUMPSA-N 1 0 306.362 2.787 20 5 DFBDRO CC(C)[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000276569220 273533102 /nfs/dbraw/zinc/53/31/02/273533102.db2.gz HFKDYYWHZVHHIB-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414396919 428285333 /nfs/dbraw/zinc/28/53/33/428285333.db2.gz GUUIVZNDPZZAIR-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865903 428288413 /nfs/dbraw/zinc/28/84/13/428288413.db2.gz FNFJRRKHTMWKRK-GDBMZVCRSA-N 1 0 322.405 2.989 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000356591981 428245861 /nfs/dbraw/zinc/24/58/61/428245861.db2.gz DSZRMKODUSIKGV-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@@H](C)O1 ZINC000414263150 428245880 /nfs/dbraw/zinc/24/58/80/428245880.db2.gz PGGVLXAIBKGDCM-KJWHEZOQSA-N 1 0 322.409 2.678 20 5 DFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000377862864 428250562 /nfs/dbraw/zinc/25/05/62/428250562.db2.gz ZVIWWXZBXSUFEU-OAHLLOKOSA-N 1 0 314.389 2.794 20 5 DFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000352814828 428258916 /nfs/dbraw/zinc/25/89/16/428258916.db2.gz JYLMXVPLDKUVLO-ZWNOBZJWSA-N 1 0 323.418 2.573 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000356805617 428315056 /nfs/dbraw/zinc/31/50/56/428315056.db2.gz MAERDMYIFQZXGS-LBPRGKRZSA-N 1 0 307.394 2.616 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](c3nnc[nH]3)C2)ccc1Cl ZINC000378172536 428325884 /nfs/dbraw/zinc/32/58/84/428325884.db2.gz GJNGTPMWZIVADM-NSHDSACASA-N 1 0 321.768 2.746 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnc(C)[nH]c1=O)c1cccc([N+](=O)[O-])c1 ZINC000346809586 428327923 /nfs/dbraw/zinc/32/79/23/428327923.db2.gz QIGJCCXJLLFOOQ-AWEZNQCLSA-N 1 0 302.334 2.640 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000414553453 428336134 /nfs/dbraw/zinc/33/61/34/428336134.db2.gz FRLSHDGOLYEUJS-INIZCTEOSA-N 1 0 306.362 2.678 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000342179555 428338031 /nfs/dbraw/zinc/33/80/31/428338031.db2.gz YBCYHJCIWXXIAN-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353129317 428398411 /nfs/dbraw/zinc/39/84/11/428398411.db2.gz UKMMDVLXNWCUTJ-CQSZACIVSA-N 1 0 307.394 2.567 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000414656586 428367162 /nfs/dbraw/zinc/36/71/62/428367162.db2.gz IQLHPBPSNURMQT-AWEZNQCLSA-N 1 0 320.393 2.803 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353063340 428373814 /nfs/dbraw/zinc/37/38/14/428373814.db2.gz SRMDSXMZJSHGQW-ZDUSSCGKSA-N 1 0 309.410 2.813 20 5 DFBDRO C[N@H+](C[C@@H]1CC12CCN(c1ccc([N+](=O)[O-])cn1)CC2)C1CC1 ZINC000378355999 428375223 /nfs/dbraw/zinc/37/52/23/428375223.db2.gz RHNANHNTYFKZKY-ZDUSSCGKSA-N 1 0 316.405 2.691 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000342273845 428377969 /nfs/dbraw/zinc/37/79/69/428377969.db2.gz VFCJSODLBVKKJC-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CC[C@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342288074 428385339 /nfs/dbraw/zinc/38/53/39/428385339.db2.gz LFCRSFJOKKTEHB-KBPBESRZSA-N 1 0 318.352 2.976 20 5 DFBDRO CCC[NH2+]CCN[C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874896 428441846 /nfs/dbraw/zinc/44/18/46/428441846.db2.gz SZPUVSKPKNZGJD-GDBMZVCRSA-N 1 0 305.422 2.895 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000372409509 428443349 /nfs/dbraw/zinc/44/33/49/428443349.db2.gz SJZKELPTOIWJPF-KBPBESRZSA-N 1 0 319.405 2.860 20 5 DFBDRO [NH3+][C@H](CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414895924 428449912 /nfs/dbraw/zinc/44/99/12/428449912.db2.gz NWBJSUFNMOSGDZ-OAHLLOKOSA-N 1 0 301.346 2.682 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360835174 428455819 /nfs/dbraw/zinc/45/58/19/428455819.db2.gz NIDCVPYHOWXKHC-SJORKVTESA-N 1 0 322.405 2.813 20 5 DFBDRO CCC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360835171 428456547 /nfs/dbraw/zinc/45/65/47/428456547.db2.gz NIDCVPYHOWXKHC-DLBZAZTESA-N 1 0 322.405 2.813 20 5 DFBDRO COc1cc(CNc2ccc(C[NH3+])cc2)c([N+](=O)[O-])cc1OC ZINC000414916334 428457205 /nfs/dbraw/zinc/45/72/05/428457205.db2.gz SITNUSUYIFIBCL-UHFFFAOYSA-N 1 0 317.345 2.683 20 5 DFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])c(N)c1F)C1CCCCC1 ZINC000357191144 428427431 /nfs/dbraw/zinc/42/74/31/428427431.db2.gz XHIWZUYECWHKHW-UHFFFAOYSA-N 1 0 310.373 2.993 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000278502650 273806633 /nfs/dbraw/zinc/80/66/33/273806633.db2.gz XINZZTARBRHSMK-SECBINFHSA-N 1 0 318.299 2.539 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353322202 428485448 /nfs/dbraw/zinc/48/54/48/428485448.db2.gz JMCBBLSCZBAYRM-GFCCVEGCSA-N 1 0 308.382 2.837 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC1CC[NH+](C)CC1 ZINC000360908990 428488004 /nfs/dbraw/zinc/48/80/04/428488004.db2.gz AYTQSRZWMIGXGQ-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000415037102 428496654 /nfs/dbraw/zinc/49/66/54/428496654.db2.gz GCXLLVYCNVRDJL-BLLLJJGKSA-N 1 0 307.369 2.698 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000357359511 428497225 /nfs/dbraw/zinc/49/72/25/428497225.db2.gz BYPQCHVJIVFRNE-UHFFFAOYSA-N 1 0 323.368 2.715 20 5 DFBDRO Cn1ccnc1[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000353356473 428499601 /nfs/dbraw/zinc/49/96/01/428499601.db2.gz VRSPRIWCHBXWCR-ZDUSSCGKSA-N 1 0 315.333 2.601 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000357366803 428502545 /nfs/dbraw/zinc/50/25/45/428502545.db2.gz UCLNSAOGDFFXKR-UHFFFAOYSA-N 1 0 319.405 2.505 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000357368041 428502586 /nfs/dbraw/zinc/50/25/86/428502586.db2.gz FNHGEBLKGZYIDC-JTQLQIEISA-N 1 0 312.345 2.584 20 5 DFBDRO C[N@H+](C[C@@H]1CC12CCN(c1ncccc1[N+](=O)[O-])CC2)C1CC1 ZINC000372835111 428503239 /nfs/dbraw/zinc/50/32/39/428503239.db2.gz DLHPOPSUOMBZHS-ZDUSSCGKSA-N 1 0 316.405 2.691 20 5 DFBDRO CCc1nn(C)c(NCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000360956127 428508004 /nfs/dbraw/zinc/50/80/04/428508004.db2.gz YMIPCSFUSHLJJG-UHFFFAOYSA-N 1 0 309.414 2.567 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000360959108 428509983 /nfs/dbraw/zinc/50/99/83/428509983.db2.gz FIMQDUJFSBLDMB-VXGBXAGGSA-N 1 0 309.414 2.794 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000360960839 428511450 /nfs/dbraw/zinc/51/14/50/428511450.db2.gz NHGWLTMNDOKQBR-VXGBXAGGSA-N 1 0 309.414 2.652 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000360959094 428511647 /nfs/dbraw/zinc/51/16/47/428511647.db2.gz FCRQIJAAKIICAW-VXGBXAGGSA-N 1 0 309.414 2.652 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000353296474 428473785 /nfs/dbraw/zinc/47/37/85/428473785.db2.gz BUTXCHFMPMASPI-LBPRGKRZSA-N 1 0 324.356 2.730 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000415490361 428588611 /nfs/dbraw/zinc/58/86/11/428588611.db2.gz YDSRKSVZAJTAQS-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415487205 428589114 /nfs/dbraw/zinc/58/91/14/428589114.db2.gz SUHCQRVPSROKCQ-STQMWFEESA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415499705 428591270 /nfs/dbraw/zinc/59/12/70/428591270.db2.gz KMSXROYQOVSWNU-FZMZJTMJSA-N 1 0 306.366 2.542 20 5 DFBDRO CC[C@H](C)[NH2+][C@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000343249909 428540274 /nfs/dbraw/zinc/54/02/74/428540274.db2.gz FISWEDKBPMPRHG-VHSXEESVSA-N 1 0 310.379 3.186 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000361213686 428549011 /nfs/dbraw/zinc/54/90/11/428549011.db2.gz ZKOXTWBFKWWGFC-UKRRQHHQSA-N 1 0 321.421 2.620 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000357709969 428559022 /nfs/dbraw/zinc/55/90/22/428559022.db2.gz SEEXHDZHCMUXIF-MRXNPFEDSA-N 1 0 321.421 2.762 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415307773 428565388 /nfs/dbraw/zinc/56/53/88/428565388.db2.gz ZDBBGQNVMNRRGR-LBPRGKRZSA-N 1 0 320.393 2.803 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CC(N)=O)CC1 ZINC000347374916 428566605 /nfs/dbraw/zinc/56/66/05/428566605.db2.gz YELVQZTXNKFOJL-UKTHLTGXSA-N 1 0 317.389 2.586 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415584295 428598346 /nfs/dbraw/zinc/59/83/46/428598346.db2.gz SJLBCZMONOZCCD-BONVTDFDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415573930 428599390 /nfs/dbraw/zinc/59/93/90/428599390.db2.gz CXZAIAVWKLPVHV-MLGOLLRUSA-N 1 0 320.393 2.660 20 5 DFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)ccn1 ZINC000347563102 428605544 /nfs/dbraw/zinc/60/55/44/428605544.db2.gz SYXUNRUOBXZORF-NSHDSACASA-N 1 0 317.345 2.858 20 5 DFBDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000344018426 428609785 /nfs/dbraw/zinc/60/97/85/428609785.db2.gz LSIMPMYXUUJLCA-CYBMUJFWSA-N 1 0 305.378 2.648 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344031990 428611685 /nfs/dbraw/zinc/61/16/85/428611685.db2.gz OBDWBSGCYRQIIF-YPMHNXCESA-N 1 0 303.362 2.654 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434879 428659308 /nfs/dbraw/zinc/65/93/08/428659308.db2.gz JJKNMZMIWQEBAQ-CHWSQXEVSA-N 1 0 314.389 2.980 20 5 DFBDRO COCC1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000358744163 428653925 /nfs/dbraw/zinc/65/39/25/428653925.db2.gz HZPOSLHKXRPNSR-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO C[C@@H](Cn1cccn1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278691182 274233183 /nfs/dbraw/zinc/23/31/83/274233183.db2.gz KMIMMUMJOBSJCT-LRDDRELGSA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302410833 274290931 /nfs/dbraw/zinc/29/09/31/274290931.db2.gz GWRCQRIJTHRISZ-GFCCVEGCSA-N 1 0 304.394 2.707 20 5 DFBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000408448423 428662411 /nfs/dbraw/zinc/66/24/11/428662411.db2.gz UQRMXBSLGUWJFW-MGPQQGTHSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000182496481 274353958 /nfs/dbraw/zinc/35/39/58/274353958.db2.gz HZZFGBNYVWQULD-DFBGVHRSSA-N 1 0 317.389 2.704 20 5 DFBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000292053460 274356046 /nfs/dbraw/zinc/35/60/46/274356046.db2.gz BCIAYZUFHNQMNQ-CQSZACIVSA-N 1 0 303.406 2.901 20 5 DFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000291941107 274360827 /nfs/dbraw/zinc/36/08/27/274360827.db2.gz MUBYERQGFXHSMU-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO Cn1cc(CC[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000348302077 428700466 /nfs/dbraw/zinc/70/04/66/428700466.db2.gz LNXVAIUCBGVBHJ-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000229611613 274419203 /nfs/dbraw/zinc/41/92/03/274419203.db2.gz YNOILBUSIRQGHJ-WPRPVWTQSA-N 1 0 314.183 2.910 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1ccnc1 ZINC000344867660 428715322 /nfs/dbraw/zinc/71/53/22/428715322.db2.gz VUSLVVNQDATXMH-GXDHUFHOSA-N 1 0 300.362 2.875 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@@H]1c1cccs1 ZINC000374493056 428684142 /nfs/dbraw/zinc/68/41/42/428684142.db2.gz UGWQTBQPCBCILL-BXKDBHETSA-N 1 0 324.431 3.218 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2OC(F)F)cc1 ZINC000348522988 428769229 /nfs/dbraw/zinc/76/92/29/428769229.db2.gz AXNRUQUXFUBVKM-QWHCGFSZSA-N 1 0 300.305 2.887 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000411279344 428769281 /nfs/dbraw/zinc/76/92/81/428769281.db2.gz BUVQQBBTPXCNPB-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000353913393 428774506 /nfs/dbraw/zinc/77/45/06/428774506.db2.gz MKPXPKNUXXEFHU-LBPRGKRZSA-N 1 0 320.393 2.715 20 5 DFBDRO CSC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411328128 428780180 /nfs/dbraw/zinc/78/01/80/428780180.db2.gz PACUIMWKTCWFSM-AWEZNQCLSA-N 1 0 323.418 2.751 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411386238 428788768 /nfs/dbraw/zinc/78/87/68/428788768.db2.gz JQDPQATZWVGNHV-JKSUJKDBSA-N 1 0 319.405 2.545 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000353847134 428746512 /nfs/dbraw/zinc/74/65/12/428746512.db2.gz SSGJTZSAHPKCEA-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000375102123 428800869 /nfs/dbraw/zinc/80/08/69/428800869.db2.gz WAOVOVJIRLKFJT-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000229595889 274630865 /nfs/dbraw/zinc/63/08/65/274630865.db2.gz VELYTLIFNOQGJJ-SCZZXKLOSA-N 1 0 314.183 2.910 20 5 DFBDRO C[C@@H](CC1CCOCC1)CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348918852 428875688 /nfs/dbraw/zinc/87/56/88/428875688.db2.gz CTVIWRYYVIIEDW-AWEZNQCLSA-N 1 0 321.421 2.813 20 5 DFBDRO CC[C@@H]1C[C@@H](CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCO1 ZINC000348933333 428880230 /nfs/dbraw/zinc/88/02/30/428880230.db2.gz IOHFJTPJAARXMD-UONOGXRCSA-N 1 0 307.394 2.565 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000363213118 428884383 /nfs/dbraw/zinc/88/43/83/428884383.db2.gz JMQJPCUVOBKWAZ-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)[C@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000411945683 428890128 /nfs/dbraw/zinc/89/01/28/428890128.db2.gz KQFLHVNHZGVBCC-BZNIZROVSA-N 1 0 308.378 2.897 20 5 DFBDRO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412033791 428918573 /nfs/dbraw/zinc/91/85/73/428918573.db2.gz SJQAOJVBRIPXAW-MFKMUULPSA-N 1 0 301.350 2.572 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000412040590 428920608 /nfs/dbraw/zinc/92/06/08/428920608.db2.gz RULYRCUGZDGKFR-HNNXBMFYSA-N 1 0 322.405 2.845 20 5 DFBDRO COc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1Cl ZINC000412048675 428927207 /nfs/dbraw/zinc/92/72/07/428927207.db2.gz WZAKRZNIOBBPEW-UHFFFAOYSA-N 1 0 324.768 2.585 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)CCCOC(C)C ZINC000354223740 428927568 /nfs/dbraw/zinc/92/75/68/428927568.db2.gz ONURQBJKLFEWEN-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072741 428938242 /nfs/dbraw/zinc/93/82/42/428938242.db2.gz PWKMOXSZTSYXHY-WBMJQRKESA-N 1 0 306.362 2.931 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCCCC2 ZINC000375701226 428948077 /nfs/dbraw/zinc/94/80/77/428948077.db2.gz MQAWISRXECNOKG-KBPBESRZSA-N 1 0 322.409 2.546 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420237228 428950917 /nfs/dbraw/zinc/95/09/17/428950917.db2.gz BUNWRKMBDLVIIX-GWCFXTLKSA-N 1 0 318.402 3.271 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420242639 428951361 /nfs/dbraw/zinc/95/13/61/428951361.db2.gz PFJIOVLRLVYQSL-GWCFXTLKSA-N 1 0 318.402 3.128 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421740526 429024860 /nfs/dbraw/zinc/02/48/60/429024860.db2.gz JWRMVHDGKSIIMP-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421769805 429030742 /nfs/dbraw/zinc/03/07/42/429030742.db2.gz SOYQLGSZVWXHAY-ZDUSSCGKSA-N 1 0 307.394 2.672 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[S@](=O)C[C@@H](C)C1 ZINC000433020427 428980532 /nfs/dbraw/zinc/98/05/32/428980532.db2.gz CIORYXGZUKFCJD-WZWPTQFQSA-N 1 0 322.430 2.699 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423598263 428981480 /nfs/dbraw/zinc/98/14/80/428981480.db2.gz VYISYOHDTMOALV-CHWSQXEVSA-N 1 0 305.378 2.520 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000375809591 428981554 /nfs/dbraw/zinc/98/15/54/428981554.db2.gz FHAXYVBITQTYMO-LSDHHAIUSA-N 1 0 319.405 2.662 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000375809721 428983036 /nfs/dbraw/zinc/98/30/36/428983036.db2.gz FJWAIUUMROLQAT-SJORKVTESA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000354833553 429014577 /nfs/dbraw/zinc/01/45/77/429014577.db2.gz ODVNUZGNVMPANW-RYUDHWBXSA-N 1 0 318.352 2.938 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(OC)CC2)cc1[N+](=O)[O-] ZINC000421870172 429041944 /nfs/dbraw/zinc/04/19/44/429041944.db2.gz DVDNYCNZAJLMHN-LBPRGKRZSA-N 1 0 323.393 2.670 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)C1CC[NH2+]CC1 ZINC000423295932 429057582 /nfs/dbraw/zinc/05/75/82/429057582.db2.gz XVBKGXJWUVEXFA-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1sc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285962174 274878200 /nfs/dbraw/zinc/87/82/00/274878200.db2.gz VZDQBBFTMOBUTC-ZYHUDNBSSA-N 1 0 323.418 2.664 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCn2ccnc2C1 ZINC000376120221 429061490 /nfs/dbraw/zinc/06/14/90/429061490.db2.gz YDCFYBYPACQPFC-KQIUPUNMSA-N 1 0 312.373 2.657 20 5 DFBDRO [NH3+]C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000423972501 429067970 /nfs/dbraw/zinc/06/79/70/429067970.db2.gz ZSWVSKRVQOYBMI-ZDUSSCGKSA-N 1 0 317.345 2.588 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)cn1 ZINC000279120947 274892091 /nfs/dbraw/zinc/89/20/91/274892091.db2.gz QECZIFAYMFESHL-OAHLLOKOSA-N 1 0 300.362 2.841 20 5 DFBDRO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352728 429071926 /nfs/dbraw/zinc/07/19/26/429071926.db2.gz AKCZCIQGTRNSBJ-WTTBNOFXSA-N 1 0 317.433 2.894 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@@H]1[NH2+]CCCC1(C)C ZINC000423398967 429081847 /nfs/dbraw/zinc/08/18/47/429081847.db2.gz VRVSGAXZLQAZMO-BBRMVZONSA-N 1 0 305.422 2.894 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000423526937 429107814 /nfs/dbraw/zinc/10/78/14/429107814.db2.gz LXDRSCOODYFRKW-DGCLKSJQSA-N 1 0 305.378 2.528 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000434796513 429113130 /nfs/dbraw/zinc/11/31/30/429113130.db2.gz URLKLURUSBATFU-UHFFFAOYSA-N 1 0 310.247 2.601 20 5 DFBDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(CC)CC ZINC000434983665 429118612 /nfs/dbraw/zinc/11/86/12/429118612.db2.gz SOIRLKPCNRWHTE-ZIAGYGMSSA-N 1 0 324.425 2.707 20 5 DFBDRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435368983 429133555 /nfs/dbraw/zinc/13/35/55/429133555.db2.gz CHHPPUJVEYSYKT-LBPRGKRZSA-N 1 0 303.387 2.856 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]3OCC[C@H]32)cc1 ZINC000376667168 429157278 /nfs/dbraw/zinc/15/72/78/429157278.db2.gz YTDKYEDMSKFTGH-HZPDHXFCSA-N 1 0 306.362 2.617 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424413916 429138608 /nfs/dbraw/zinc/13/86/08/429138608.db2.gz FFDNMMHRMXDCKP-VXGBXAGGSA-N 1 0 306.366 2.603 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000375747964 275035837 /nfs/dbraw/zinc/03/58/37/275035837.db2.gz FRTRWOXGAHPTSH-UBHSHLNASA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@H]3C[NH+]3CCCC3)nc2c1 ZINC000294841602 275037516 /nfs/dbraw/zinc/03/75/16/275037516.db2.gz BLVLXLYDWLRTNM-ZDUSSCGKSA-N 1 0 315.377 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCC2 ZINC000193023983 275038432 /nfs/dbraw/zinc/03/84/32/275038432.db2.gz VYAIXDUUYCNPAB-SUMWQHHRSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@H]([NH+]3CCCCC3)C1)CCN2 ZINC000278343053 275038684 /nfs/dbraw/zinc/03/86/84/275038684.db2.gz JDFLMTPPBCAGRZ-ZDUSSCGKSA-N 1 0 316.405 2.627 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000236050945 275040679 /nfs/dbraw/zinc/04/06/79/275040679.db2.gz HGNYLFPAODXLBK-CYBMUJFWSA-N 1 0 310.785 2.612 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000364020400 429159036 /nfs/dbraw/zinc/15/90/36/429159036.db2.gz PVFFTWUONCPFPD-HOTGVXAUSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1nn(C)c(N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)c1[N+](=O)[O-] ZINC000364268022 429174422 /nfs/dbraw/zinc/17/44/22/429174422.db2.gz SOXVMSNHXSAZKH-CYBMUJFWSA-N 1 0 321.425 2.846 20 5 DFBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000436263531 429192229 /nfs/dbraw/zinc/19/22/29/429192229.db2.gz SPLCLBFHTZJVFH-HZPDHXFCSA-N 1 0 324.425 2.755 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746585 429194884 /nfs/dbraw/zinc/19/48/84/429194884.db2.gz NKYYYPVJVBENQF-COPLHBTASA-N 1 0 324.812 2.810 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3ccccc3F)CC2)n1 ZINC000489037275 429215344 /nfs/dbraw/zinc/21/53/44/429215344.db2.gz HLHWQUSJOMRBHU-UHFFFAOYSA-N 1 0 318.352 2.810 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC000488762573 429197278 /nfs/dbraw/zinc/19/72/78/429197278.db2.gz DJYUIFNSMMJMDN-OLZOCXBDSA-N 1 0 308.378 2.585 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000456159760 429251225 /nfs/dbraw/zinc/25/12/25/429251225.db2.gz HCCJVJOQFLQPFN-YPMHNXCESA-N 1 0 320.393 2.551 20 5 DFBDRO CCOc1cccc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1[N+](=O)[O-] ZINC000425277836 429256410 /nfs/dbraw/zinc/25/64/10/429256410.db2.gz CVDIPGPUJPIJOB-GXTWGEPZSA-N 1 0 305.378 2.524 20 5 DFBDRO CCOc1cc(N2CCC[C@H]3C[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000425289990 429258598 /nfs/dbraw/zinc/25/85/98/429258598.db2.gz WFSMXROMMVLKQD-SWLSCSKDSA-N 1 0 305.378 2.524 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286536590 275504194 /nfs/dbraw/zinc/50/41/94/275504194.db2.gz VIZMCOKXZKWUFM-WFASDCNBSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)OC(C)(C)C ZINC000449165694 429347735 /nfs/dbraw/zinc/34/77/35/429347735.db2.gz XCTVANXIIFAAFS-LBPRGKRZSA-N 1 0 308.378 2.847 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CCCCC1 ZINC000449123681 429337732 /nfs/dbraw/zinc/33/77/32/429337732.db2.gz ODTPTJDIIZBHAH-CYBMUJFWSA-N 1 0 319.405 2.564 20 5 DFBDRO Cc1cccc(C(=O)NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000456700873 429339166 /nfs/dbraw/zinc/33/91/66/429339166.db2.gz OVXADCPINMAYHT-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2C[C@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456400236 429298866 /nfs/dbraw/zinc/29/88/66/429298866.db2.gz VECOPFPCKPLYLB-IONNQARKSA-N 1 0 306.347 2.597 20 5 DFBDRO Cc1cc(C2=CC[N@H+](C[C@@H]3CCOC3)CC2)cc([N+](=O)[O-])c1N ZINC000365884094 429395729 /nfs/dbraw/zinc/39/57/29/429395729.db2.gz IFMAIWFFUNYQQN-ZDUSSCGKSA-N 1 0 317.389 2.611 20 5 DFBDRO COC[C@H](C)[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365882079 429395947 /nfs/dbraw/zinc/39/59/47/429395947.db2.gz BKTRKDVZXBRQJW-LBPRGKRZSA-N 1 0 305.378 2.609 20 5 DFBDRO CC(=O)CC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365885463 429396521 /nfs/dbraw/zinc/39/65/21/429396521.db2.gz NDHXTCZIVTXVGV-UHFFFAOYSA-N 1 0 303.362 2.554 20 5 DFBDRO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000426511056 429397237 /nfs/dbraw/zinc/39/72/37/429397237.db2.gz YEBWNHBDQUPXJC-SHRNQRGKSA-N 1 0 320.389 2.735 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2=CCOCC2)c1 ZINC000449403127 429407047 /nfs/dbraw/zinc/40/70/47/429407047.db2.gz ORNKVSNHIFIKCG-UHFFFAOYSA-N 1 0 314.288 2.633 20 5 DFBDRO Cc1sc(C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457123627 429408066 /nfs/dbraw/zinc/40/80/66/429408066.db2.gz PJTATZDQZBVXKR-NSHDSACASA-N 1 0 311.407 2.519 20 5 DFBDRO Cc1cc(C[C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000449192874 429354301 /nfs/dbraw/zinc/35/43/01/429354301.db2.gz RRUODJYZMFWCLF-NEPJUHHUSA-N 1 0 302.378 2.778 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000426230176 429373778 /nfs/dbraw/zinc/37/37/78/429373778.db2.gz KFYNYLAHALQFQX-CQSZACIVSA-N 1 0 308.378 2.729 20 5 DFBDRO C[C@@H]1C[N@@H+](CCSCc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000518563932 429426383 /nfs/dbraw/zinc/42/63/83/429426383.db2.gz ADVRPXWVEQQDCA-BETUJISGSA-N 1 0 310.419 2.937 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CF)CCOCC1 ZINC000449490018 429432379 /nfs/dbraw/zinc/43/23/79/429432379.db2.gz VSFCUJDUZPRBDV-CYBMUJFWSA-N 1 0 310.369 2.882 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427130309 429433372 /nfs/dbraw/zinc/43/33/72/429433372.db2.gz GYUDTHHARVYGQD-HOCLYGCPSA-N 1 0 303.406 2.902 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849910 429474157 /nfs/dbraw/zinc/47/41/57/429474157.db2.gz OGFSLMZYGOZOEJ-UKRRQHHQSA-N 1 0 300.362 2.847 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449679658 429476371 /nfs/dbraw/zinc/47/63/71/429476371.db2.gz AQOPYSSALZOYAR-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806664 429490902 /nfs/dbraw/zinc/49/09/02/429490902.db2.gz XPEKFSINBBNGGA-KBPBESRZSA-N 1 0 319.405 2.546 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2NCCC[NH+]1CCCCC1 ZINC000450226382 429581679 /nfs/dbraw/zinc/58/16/79/429581679.db2.gz LCTBLWYYFALYAN-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000521116449 429540322 /nfs/dbraw/zinc/54/03/22/429540322.db2.gz LPTFIRMDRPMTFA-JVHOSPSUSA-N 1 0 303.406 2.880 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429575687 429617738 /nfs/dbraw/zinc/61/77/38/429617738.db2.gz AFXHXWTVBFWMJX-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CCCO)ccc1[N+](=O)[O-] ZINC000492694879 429596231 /nfs/dbraw/zinc/59/62/31/429596231.db2.gz GNTQPZKQHIQQDI-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO C[NH+](C)[C@H](CNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000450310981 429596366 /nfs/dbraw/zinc/59/63/66/429596366.db2.gz GCUHEJKZCNRNJE-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000523068744 429599444 /nfs/dbraw/zinc/59/94/44/429599444.db2.gz NDEIFPIAMHRLCI-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367246521 429602690 /nfs/dbraw/zinc/60/26/90/429602690.db2.gz MVHMSDHRJBOMNJ-SWLSCSKDSA-N 1 0 317.389 2.755 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450363059 429610551 /nfs/dbraw/zinc/61/05/51/429610551.db2.gz UEUGVCQZMIYYOW-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450375777 429611750 /nfs/dbraw/zinc/61/17/50/429611750.db2.gz FMPCDRWMSLXYSE-MLGOLLRUSA-N 1 0 314.389 3.284 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218482 429662492 /nfs/dbraw/zinc/66/24/92/429662492.db2.gz LZDKXKHZYOTPEY-LSDHHAIUSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000492988104 429662520 /nfs/dbraw/zinc/66/25/20/429662520.db2.gz NWYBVZOEOGWPAM-CMDGGOBGSA-N 1 0 317.389 2.599 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)CC(C)(C)C ZINC000430215884 429662638 /nfs/dbraw/zinc/66/26/38/429662638.db2.gz DDAOIPFAGQWNGQ-UHFFFAOYSA-N 1 0 310.394 2.834 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000070197519 276104166 /nfs/dbraw/zinc/10/41/66/276104166.db2.gz POKHMXRBINIKSA-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO COc1ccc(OCC[N@H+]2CC(C)=C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000430279926 429671911 /nfs/dbraw/zinc/67/19/11/429671911.db2.gz NTZWOXFFBHGOQK-LBPRGKRZSA-N 1 0 306.362 2.880 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000176248952 276168835 /nfs/dbraw/zinc/16/88/35/276168835.db2.gz ASJOVGGNYVZGJQ-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@@H]21 ZINC000450784561 429699176 /nfs/dbraw/zinc/69/91/76/429699176.db2.gz BZOJDDAZCAXIRU-RNCFNFMXSA-N 1 0 315.295 2.754 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000188027416 276373199 /nfs/dbraw/zinc/37/31/99/276373199.db2.gz DZWUXBRPCSRZKT-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO CCOc1cccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292809921 276381346 /nfs/dbraw/zinc/38/13/46/276381346.db2.gz OAVBXVMDJALPGP-KRWDZBQOSA-N 1 0 319.405 2.916 20 5 DFBDRO CCOc1cccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c1[N+](=O)[O-] ZINC000273125806 276381375 /nfs/dbraw/zinc/38/13/75/276381375.db2.gz ANQKIGGWVZONFB-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc(C)c([N+](=O)[O-])cn1 ZINC000470857439 429711348 /nfs/dbraw/zinc/71/13/48/429711348.db2.gz CRVBLLSIKJFWHM-CQSZACIVSA-N 1 0 306.410 3.365 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)CC(C)C ZINC000470867667 429711801 /nfs/dbraw/zinc/71/18/01/429711801.db2.gz USNCWKUIGKPICO-AWEZNQCLSA-N 1 0 308.426 3.467 20 5 DFBDRO CCC1(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)COC1 ZINC000450843965 429712155 /nfs/dbraw/zinc/71/21/55/429712155.db2.gz JIMGPEJLMROJDP-UHFFFAOYSA-N 1 0 301.346 2.712 20 5 DFBDRO CC[NH+]1CCN(CC(C)(C)Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000450924122 429730227 /nfs/dbraw/zinc/73/02/27/429730227.db2.gz SRDLXODHTGMUHG-UHFFFAOYSA-N 1 0 320.437 2.731 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000432149852 429804507 /nfs/dbraw/zinc/80/45/07/429804507.db2.gz YYSXEICIERYWON-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000451084410 429764282 /nfs/dbraw/zinc/76/42/82/429764282.db2.gz RGNCDSLZKFNHFI-CYBMUJFWSA-N 1 0 303.406 2.819 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000361213687 276528141 /nfs/dbraw/zinc/52/81/41/276528141.db2.gz ZKOXTWBFKWWGFC-ZFWWWQNUSA-N 1 0 321.421 2.620 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493751092 429822246 /nfs/dbraw/zinc/82/22/46/429822246.db2.gz ILXRTRMMZVJERP-DANTVBBOSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000368327306 429831534 /nfs/dbraw/zinc/83/15/34/429831534.db2.gz KFJXGOGQMQQCPM-HNNXBMFYSA-N 1 0 312.373 2.649 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451486409 429833722 /nfs/dbraw/zinc/83/37/22/429833722.db2.gz DJTVMURBXZHQGE-FVQBIDKESA-N 1 0 318.373 2.651 20 5 DFBDRO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545978 429850020 /nfs/dbraw/zinc/85/00/20/429850020.db2.gz IKVLEAJZJJDLJO-HNNXBMFYSA-N 1 0 319.405 2.689 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564950 429868097 /nfs/dbraw/zinc/86/80/97/429868097.db2.gz YECRJOOTZVKOEN-RYUDHWBXSA-N 1 0 310.785 2.706 20 5 DFBDRO CSC1(C[N@@H+]2CCC[C@H](n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000368225224 429810870 /nfs/dbraw/zinc/81/08/70/429810870.db2.gz GYRMLLQJKXVFEJ-LBPRGKRZSA-N 1 0 310.423 2.714 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)[C@]12CCCO2 ZINC000368706263 429889084 /nfs/dbraw/zinc/88/90/84/429889084.db2.gz IOAVCIGYUJVJIU-GVDBMIGSSA-N 1 0 320.389 2.719 20 5 DFBDRO C[C@@H]1CSc2ccccc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000369011539 429907697 /nfs/dbraw/zinc/90/76/97/429907697.db2.gz UPHUWIQWELZZDB-GFCCVEGCSA-N 1 0 318.402 2.788 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1 ZINC000451695886 429873351 /nfs/dbraw/zinc/87/33/51/429873351.db2.gz AKUVFULAUGVODG-BFYDXBDKSA-N 1 0 304.390 2.620 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000573658116 429970558 /nfs/dbraw/zinc/97/05/58/429970558.db2.gz OCSQFWNVYLKVQC-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000558658687 429983513 /nfs/dbraw/zinc/98/35/13/429983513.db2.gz NXZWWVNCCMWCOA-CQSZACIVSA-N 1 0 321.421 2.813 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000369377616 429934597 /nfs/dbraw/zinc/93/45/97/429934597.db2.gz MACSGQOPADULDQ-WEVVVXLNSA-N 1 0 324.380 2.728 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560646061 430060633 /nfs/dbraw/zinc/06/06/33/430060633.db2.gz LLVXMMPVJMSDTF-SECBINFHSA-N 1 0 311.769 2.917 20 5 DFBDRO CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000580843202 430157403 /nfs/dbraw/zinc/15/74/03/430157403.db2.gz BSZALRVTHZCRLT-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000581026472 430172011 /nfs/dbraw/zinc/17/20/11/430172011.db2.gz DNURRPFLVQRMBB-STQMWFEESA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000581026471 430172261 /nfs/dbraw/zinc/17/22/61/430172261.db2.gz DNURRPFLVQRMBB-QWHCGFSZSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547156 430132332 /nfs/dbraw/zinc/13/23/32/430132332.db2.gz WCTOMCHIMLARJI-ABAIWWIYSA-N 1 0 316.405 2.763 20 5 DFBDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093360919 277007494 /nfs/dbraw/zinc/00/74/94/277007494.db2.gz NKUSGWNHDUADFS-CQSZACIVSA-N 1 0 319.405 2.676 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000270217845 277033340 /nfs/dbraw/zinc/03/33/40/277033340.db2.gz SWYYIBAHVXHEHC-GFCCVEGCSA-N 1 0 324.812 2.811 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000581349379 430198768 /nfs/dbraw/zinc/19/87/68/430198768.db2.gz ZGPGBQMEDNGDKZ-GFCCVEGCSA-N 1 0 307.394 2.912 20 5 DFBDRO C[NH2+]CCC1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])CC1 ZINC000262328660 277266243 /nfs/dbraw/zinc/26/62/43/277266243.db2.gz SEVPSINMYJFPIR-UHFFFAOYSA-N 1 0 311.357 2.568 20 5 DFBDRO CCCCN(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587631 430220993 /nfs/dbraw/zinc/22/09/93/430220993.db2.gz RAUWNNQICBHGSK-HUUCEWRRSA-N 1 0 323.441 2.597 20 5 DFBDRO CCOC(=O)[C@H](CC(C)C)NCCc1cccc([N+](=O)[O-])c1 ZINC000542931554 430231892 /nfs/dbraw/zinc/23/18/92/430231892.db2.gz GDPHEJWZDCTFHJ-HNNXBMFYSA-N 1 0 308.378 2.705 20 5 DFBDRO Cc1ccncc1N1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000542947634 430232752 /nfs/dbraw/zinc/23/27/52/430232752.db2.gz JRPKQBSRFMNWGM-UHFFFAOYSA-N 1 0 312.373 2.933 20 5 DFBDRO C[C@@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545398671 430317803 /nfs/dbraw/zinc/31/78/03/430317803.db2.gz XUBLLKCRAVSUJB-INIZCTEOSA-N 1 0 317.345 2.597 20 5 DFBDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342793 430347443 /nfs/dbraw/zinc/34/74/43/430347443.db2.gz FLAPYKDHOTYDPT-YDHLFZDLSA-N 1 0 319.405 2.639 20 5 DFBDRO [NH3+]C[C@H]1c2ccccc2CCN1c1ccc(F)cc1[N+](=O)[O-] ZINC000583499820 430401334 /nfs/dbraw/zinc/40/13/34/430401334.db2.gz BCVOVXRZLPBMML-INIZCTEOSA-N 1 0 301.321 2.796 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569378482 430450220 /nfs/dbraw/zinc/45/02/20/430450220.db2.gz SKJLGRZADABZAG-UHIISALHSA-N 1 0 306.362 2.759 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000548416229 430473536 /nfs/dbraw/zinc/47/35/36/430473536.db2.gz JLISQZFAWUKERE-LLVKDONJSA-N 1 0 324.356 2.586 20 5 DFBDRO CC(C)(C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000569687284 430476611 /nfs/dbraw/zinc/47/66/11/430476611.db2.gz QWPBZPIXIAULTB-HNNXBMFYSA-N 1 0 322.405 2.750 20 5 DFBDRO CC(C)[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CC1 ZINC000583765898 430428338 /nfs/dbraw/zinc/42/83/38/430428338.db2.gz KUCUPIRWPDHWFB-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1NC ZINC000569976662 430501632 /nfs/dbraw/zinc/50/16/32/430501632.db2.gz SQMSXGUPNMNWFD-SNVBAGLBSA-N 1 0 308.382 2.742 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000596308452 430513168 /nfs/dbraw/zinc/51/31/68/430513168.db2.gz SLVPHFWZGHWBPT-AWEZNQCLSA-N 1 0 314.389 3.428 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](CC1CC1)C(C)C ZINC000549558737 430527037 /nfs/dbraw/zinc/52/70/37/430527037.db2.gz MYTYDNRTZMLSDZ-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059682 430583379 /nfs/dbraw/zinc/58/33/79/430583379.db2.gz VVVCRTORMNQYMT-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DFBDRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000552395565 430595305 /nfs/dbraw/zinc/59/53/05/430595305.db2.gz LTECNPDQCBAVSN-LLVKDONJSA-N 1 0 305.378 2.783 20 5 DFBDRO C[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000552395566 430595517 /nfs/dbraw/zinc/59/55/17/430595517.db2.gz LTECNPDQCBAVSN-NSHDSACASA-N 1 0 305.378 2.783 20 5 DFBDRO CC1(C)OCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000550819892 430544912 /nfs/dbraw/zinc/54/49/12/430544912.db2.gz SXKUPCBOPYVCED-HNNXBMFYSA-N 1 0 303.362 2.776 20 5 DFBDRO C[C@H](CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F)C[NH+](C)C ZINC000571171148 430608781 /nfs/dbraw/zinc/60/87/81/430608781.db2.gz DJSRFPCDWORZOJ-MFKMUULPSA-N 1 0 319.327 2.986 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCSC1 ZINC000571915596 430661052 /nfs/dbraw/zinc/66/10/52/430661052.db2.gz XIIZGXGEPRGGNY-DGCLKSJQSA-N 1 0 323.418 2.797 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CCc3c1cccc3[N+](=O)[O-])C2 ZINC000572302547 430681462 /nfs/dbraw/zinc/68/14/62/430681462.db2.gz IFCMLLKMMSAGKU-GUYCJALGSA-N 1 0 324.384 2.828 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000189649783 278023853 /nfs/dbraw/zinc/02/38/53/278023853.db2.gz BEKQPTDCYLOTAK-AWEZNQCLSA-N 1 0 319.405 2.884 20 5 DFBDRO CCCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCC1 ZINC000572834822 430697406 /nfs/dbraw/zinc/69/74/06/430697406.db2.gz CUQXWFIOXCVIFA-OAHLLOKOSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CCCCN1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285348758 278350524 /nfs/dbraw/zinc/35/05/24/278350524.db2.gz VCFCSEVAHHYUER-DOMZBBRYSA-N 1 0 318.421 2.845 20 5 DFBDRO CC(C)CN(C(=O)c1ccccc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000291592687 278823450 /nfs/dbraw/zinc/82/34/50/278823450.db2.gz LINVRCHPUKGEGW-UHFFFAOYSA-N 1 0 319.405 2.787 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)F ZINC000296636591 288080685 /nfs/dbraw/zinc/08/06/85/288080685.db2.gz XSZHQAVUHKTJRS-SUZMYJTESA-N 1 0 302.321 2.958 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215996149 278890976 /nfs/dbraw/zinc/89/09/76/278890976.db2.gz MKIWKDZMGGDARU-BDAKNGLRSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@H](C[S@@](C)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124642 279374764 /nfs/dbraw/zinc/37/47/64/279374764.db2.gz QJUVDTOGTCJCSR-JTWCOAEXSA-N 1 0 310.419 2.674 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000192770428 279510572 /nfs/dbraw/zinc/51/05/72/279510572.db2.gz OVWBTNXCDHWNCR-XHDPSFHLSA-N 1 0 319.405 2.865 20 5 DFBDRO C[S@@](=O)C1(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000282336949 280177977 /nfs/dbraw/zinc/17/79/77/280177977.db2.gz OMLCMKXBDFMWRC-JLCFBVMHSA-N 1 0 322.430 2.818 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526882 280190448 /nfs/dbraw/zinc/19/04/48/280190448.db2.gz QLXDQNWUPHAJKR-INIZCTEOSA-N 1 0 317.389 2.685 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH+](C1CCC1)C1CCC1 ZINC000292274691 280375986 /nfs/dbraw/zinc/37/59/86/280375986.db2.gz BGYRZLGOMKSBDK-OAHLLOKOSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000237609680 281195136 /nfs/dbraw/zinc/19/51/36/281195136.db2.gz MXKRALMDXDARET-CQSZACIVSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000277943721 281257689 /nfs/dbraw/zinc/25/76/89/281257689.db2.gz OGEXUGLCUUUGAG-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000120599250 281259155 /nfs/dbraw/zinc/25/91/55/281259155.db2.gz KDBVDPMWPOPCCZ-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363407274 289089119 /nfs/dbraw/zinc/08/91/19/289089119.db2.gz VNXSSWZVGVSKHO-CHWSQXEVSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414218 289092026 /nfs/dbraw/zinc/09/20/26/289092026.db2.gz LGTVOVNXDVZNSX-VYDXJSESSA-N 1 0 301.390 2.511 20 5 DFBDRO C[NH2+]C[C@@H](C)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415687813 289120682 /nfs/dbraw/zinc/12/06/82/289120682.db2.gz BKJOSUZXTZJXSZ-LLVKDONJSA-N 1 0 322.409 2.869 20 5 DFBDRO C[C@@H](CC[NH3+])NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415703763 289122115 /nfs/dbraw/zinc/12/21/15/289122115.db2.gz RJBTXJMVABIQSC-JTQLQIEISA-N 1 0 308.382 2.751 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC([NH3+])(CC)CC ZINC000415761289 289131619 /nfs/dbraw/zinc/13/16/19/289131619.db2.gz LIFMUFOJRXWTQM-UHFFFAOYSA-N 1 0 308.382 2.796 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415764524 289132429 /nfs/dbraw/zinc/13/24/29/289132429.db2.gz PRPOWETVGHYDLJ-DGCLKSJQSA-N 1 0 320.393 2.667 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415771400 289134016 /nfs/dbraw/zinc/13/40/16/289134016.db2.gz ZQEGNFVYKQBIAS-AAEUAGOBSA-N 1 0 320.393 2.796 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000278862448 293166155 /nfs/dbraw/zinc/16/61/55/293166155.db2.gz RGAGDBKEAQQEJB-INWMFGNUSA-N 1 0 308.378 2.748 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000443308100 297218993 /nfs/dbraw/zinc/21/89/93/297218993.db2.gz JMLFGOGDOPKMCI-HUBLWGQQSA-N 1 0 308.378 2.585 20 5 DFBDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494242671 299862548 /nfs/dbraw/zinc/86/25/48/299862548.db2.gz URXPBLPALXLHIR-ZBEGNZNMSA-N 1 0 317.345 2.907 20 5 DFBDRO COc1cccc(N2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000369865069 295304957 /nfs/dbraw/zinc/30/49/57/295304957.db2.gz QLVMTRIGDRNDMG-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)SCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000157800306 295353581 /nfs/dbraw/zinc/35/35/81/295353581.db2.gz RYUSISHJSKIVGF-LLVKDONJSA-N 1 0 311.407 2.525 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC[C@@H]1CCOC1 ZINC000158207484 295359772 /nfs/dbraw/zinc/35/97/72/295359772.db2.gz KEJGWQSBRTXHEZ-CABCVRRESA-N 1 0 322.405 2.997 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC000411051096 295521832 /nfs/dbraw/zinc/52/18/32/295521832.db2.gz SBLSGMKMAFSRFP-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487011 297095288 /nfs/dbraw/zinc/09/52/88/297095288.db2.gz CXRRRAOWQUKBNF-XJKSGUPXSA-N 1 0 317.389 2.678 20 5 DFBDRO CSc1cccc(C(=O)NCC2([NH+](C)C)CCC2)c1[N+](=O)[O-] ZINC000438525125 297097266 /nfs/dbraw/zinc/09/72/66/297097266.db2.gz BMRHYAIGGZZDNU-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO COc1ccc(OCC[N@H+](C)Cc2ccoc2)c([N+](=O)[O-])c1 ZINC000441239412 297177131 /nfs/dbraw/zinc/17/71/31/297177131.db2.gz OPAYBUJIMFVIDU-UHFFFAOYSA-N 1 0 306.318 2.707 20 5 DFBDRO CC[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ncc[nH]1 ZINC000442802890 297207454 /nfs/dbraw/zinc/20/74/54/297207454.db2.gz RGLUPBLSFAKLHK-LLVKDONJSA-N 1 0 314.301 2.945 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000443638444 297223533 /nfs/dbraw/zinc/22/35/33/297223533.db2.gz ANWJHNHOIIIJPV-YCPHGPKFSA-N 1 0 322.405 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3(CCO)CCCCC3)nc2c1 ZINC000444659398 297243572 /nfs/dbraw/zinc/24/35/72/297243572.db2.gz CXTLTSPEKAMWNI-UHFFFAOYSA-N 1 0 318.377 2.646 20 5 DFBDRO Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447543506 297307699 /nfs/dbraw/zinc/30/76/99/297307699.db2.gz RMQMZSVVJUGJBM-OLZOCXBDSA-N 1 0 321.406 2.830 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCSCC2)n1 ZINC000447586089 297309672 /nfs/dbraw/zinc/30/96/72/297309672.db2.gz LLJBMUISSSMJOS-STQMWFEESA-N 1 0 310.423 2.760 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCSCC2)n1 ZINC000447586087 297309679 /nfs/dbraw/zinc/30/96/79/297309679.db2.gz LLJBMUISSSMJOS-OLZOCXBDSA-N 1 0 310.423 2.760 20 5 DFBDRO Cc1nccn1CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449091527 297403623 /nfs/dbraw/zinc/40/36/23/297403623.db2.gz QBWWENYQUHEHLZ-CYBMUJFWSA-N 1 0 302.378 2.711 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(=O)NC1CCCCC1 ZINC000449123682 297409583 /nfs/dbraw/zinc/40/95/83/297409583.db2.gz ODTPTJDIIZBHAH-ZDUSSCGKSA-N 1 0 319.405 2.564 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CCOCC2 ZINC000449267206 297432606 /nfs/dbraw/zinc/43/26/06/297432606.db2.gz YXAVQQRWCUIQCN-UKRRQHHQSA-N 1 0 304.390 2.932 20 5 DFBDRO Cc1cccc(CC[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000449284089 297435922 /nfs/dbraw/zinc/43/59/22/297435922.db2.gz ACARVLIUENYVNS-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449511842 297483320 /nfs/dbraw/zinc/48/33/20/297483320.db2.gz OEBBVOVAYYNDHT-OCCSQVGLSA-N 1 0 310.325 2.555 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000449514987 297484520 /nfs/dbraw/zinc/48/45/20/297484520.db2.gz ZHODMWJPJZEUHT-WBVHZDCISA-N 1 0 304.390 2.790 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000449646400 297506006 /nfs/dbraw/zinc/50/60/06/297506006.db2.gz NSBQKDZEZVYYNQ-ZYHUDNBSSA-N 1 0 317.345 2.588 20 5 DFBDRO C[NH+](C)C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450250109 297602375 /nfs/dbraw/zinc/60/23/75/297602375.db2.gz GVCUNJDMXLITPH-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451596911 297841804 /nfs/dbraw/zinc/84/18/04/297841804.db2.gz ZWMBNSGPFIYOEL-RISCZKNCSA-N 1 0 324.352 2.945 20 5 DFBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)cn1 ZINC000451888173 297893309 /nfs/dbraw/zinc/89/33/09/297893309.db2.gz IVPDINPKRBUDFE-NSHDSACASA-N 1 0 304.350 2.671 20 5 DFBDRO CCC[N@H+](C)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857541 298035384 /nfs/dbraw/zinc/03/53/84/298035384.db2.gz QZFBPEDOXPGTDN-OAHLLOKOSA-N 1 0 319.405 2.643 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1(CO)CC1)C1CC1 ZINC000453338202 298085050 /nfs/dbraw/zinc/08/50/50/298085050.db2.gz KAAANSKLYRIISZ-HNNXBMFYSA-N 1 0 304.390 2.668 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000453382965 298088872 /nfs/dbraw/zinc/08/88/72/298088872.db2.gz MGCCENOFIFJJJU-ZMSDIMECSA-N 1 0 304.390 2.667 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454321048 298155085 /nfs/dbraw/zinc/15/50/85/298155085.db2.gz JGRIMCPQPMLWCB-LLVKDONJSA-N 1 0 324.356 2.682 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000455087746 298297602 /nfs/dbraw/zinc/29/76/02/298297602.db2.gz XYMHKDKGIATSJA-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000455418919 298355246 /nfs/dbraw/zinc/35/52/46/298355246.db2.gz RGDKKOSVDYHGQY-NSHDSACASA-N 1 0 322.409 2.964 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000458891911 299018647 /nfs/dbraw/zinc/01/86/47/299018647.db2.gz SKBVACGDNVKVLN-ZDUSSCGKSA-N 1 0 322.409 2.637 20 5 DFBDRO C[C@@H]1C[C@@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000503374570 300220266 /nfs/dbraw/zinc/22/02/66/300220266.db2.gz KEGBHSPCNBISGQ-ABAIWWIYSA-N 1 0 320.780 2.970 20 5 DFBDRO COCCN(Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000507166827 300233656 /nfs/dbraw/zinc/23/36/56/300233656.db2.gz FPUFYDNSRJYEKE-UHFFFAOYSA-N 1 0 316.304 2.807 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000514873297 300277424 /nfs/dbraw/zinc/27/74/24/300277424.db2.gz OXDQQEQOKRWCLQ-UHFFFAOYSA-N 1 0 310.398 2.555 20 5 DFBDRO C[C@@]1(O)CCCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000515514829 300311705 /nfs/dbraw/zinc/31/17/05/300311705.db2.gz XRYZMAFGIRGZKW-MRXNPFEDSA-N 1 0 301.346 2.884 20 5 DFBDRO CC(C)Oc1nc(N2CC[N@H+](C)[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515870110 300324011 /nfs/dbraw/zinc/32/40/11/300324011.db2.gz RMCQCZPFHHQLDD-CQSZACIVSA-N 1 0 322.409 2.553 20 5 DFBDRO CCC(CC)Nc1cc[nH+]cc1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000516313270 300339795 /nfs/dbraw/zinc/33/97/95/300339795.db2.gz LWDMFULAKOPJPZ-UHFFFAOYSA-N 1 0 317.349 2.593 20 5 DFBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000516454906 300342791 /nfs/dbraw/zinc/34/27/91/300342791.db2.gz YRQAYADNRGVDNQ-ILXRZTDVSA-N 1 0 322.405 2.750 20 5 DFBDRO CC(C)Oc1nc(N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000516488475 300344813 /nfs/dbraw/zinc/34/48/13/300344813.db2.gz RQJDEDHUCQLXJS-GFCCVEGCSA-N 1 0 310.398 2.587 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516861585 300364014 /nfs/dbraw/zinc/36/40/14/300364014.db2.gz DVPHGFTWJSCYAX-OCCSQVGLSA-N 1 0 317.389 2.782 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516861583 300364052 /nfs/dbraw/zinc/36/40/52/300364052.db2.gz DVPHGFTWJSCYAX-GXTWGEPZSA-N 1 0 317.389 2.782 20 5 DFBDRO C[C@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC2(CCC2)O1 ZINC000516925082 300369325 /nfs/dbraw/zinc/36/93/25/300369325.db2.gz GBLDULHZTNFZCD-NSHDSACASA-N 1 0 317.345 2.879 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000521845504 300537691 /nfs/dbraw/zinc/53/76/91/300537691.db2.gz QTNZTTYJEWDRSL-YOEHRIQHSA-N 1 0 319.405 2.626 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cncn2C)cc1[N+](=O)[O-] ZINC000530407255 301046209 /nfs/dbraw/zinc/04/62/09/301046209.db2.gz IKWYNSRDDWJYOF-LBPRGKRZSA-N 1 0 318.377 2.620 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000532279275 301141981 /nfs/dbraw/zinc/14/19/81/301141981.db2.gz BMACDAFSPSGMNK-CHWSQXEVSA-N 1 0 304.346 2.690 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000532648641 301165229 /nfs/dbraw/zinc/16/52/29/301165229.db2.gz PLKZEOKBOIFMHC-KGLIPLIRSA-N 1 0 318.373 2.998 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536625689 301283827 /nfs/dbraw/zinc/28/38/27/301283827.db2.gz YGYUZRPLLAFTOU-ZIAGYGMSSA-N 1 0 321.421 2.986 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000536873049 301292018 /nfs/dbraw/zinc/29/20/18/301292018.db2.gz VOSQVFKTFBLZRH-STQMWFEESA-N 1 0 319.405 2.953 20 5 DFBDRO C[C@H]1CCC[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000537810111 301312283 /nfs/dbraw/zinc/31/22/83/301312283.db2.gz HKNAINLQXUZKRC-LSDHHAIUSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@@H]1CCC[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000537810105 301312319 /nfs/dbraw/zinc/31/23/19/301312319.db2.gz HKNAINLQXUZKRC-CABCVRRESA-N 1 0 318.421 2.938 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000537977332 301315331 /nfs/dbraw/zinc/31/53/31/301315331.db2.gz DCEMHRCWDDHNFS-LBPRGKRZSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000539086248 301337688 /nfs/dbraw/zinc/33/76/88/301337688.db2.gz DPZOTHLIUOOKJJ-DOMZBBRYSA-N 1 0 305.378 2.563 20 5 DFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000541850659 301398877 /nfs/dbraw/zinc/39/88/77/301398877.db2.gz KJSNPJKZPYEHJY-GFCCVEGCSA-N 1 0 324.377 2.684 20 5 DFBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000548159980 301570588 /nfs/dbraw/zinc/57/05/88/301570588.db2.gz CHQGIGAMCNDPFF-DZGCQCFKSA-N 1 0 307.394 2.705 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NCCC[C@@H]1CCC[NH2+]1)CCCC2 ZINC000563142611 302041095 /nfs/dbraw/zinc/04/10/95/302041095.db2.gz NIFMKYPKLIGXFR-ZDUSSCGKSA-N 1 0 304.394 2.813 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000563590066 302084556 /nfs/dbraw/zinc/08/45/56/302084556.db2.gz NSHFMIAAEZWMDZ-OAHLLOKOSA-N 1 0 313.357 2.858 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000563773763 302096961 /nfs/dbraw/zinc/09/69/61/302096961.db2.gz ZNASTAALWQKAFJ-GTJPDFRWSA-N 1 0 310.419 2.855 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000563820622 302100794 /nfs/dbraw/zinc/10/07/94/302100794.db2.gz IZHFDTPMEZOPTN-NWDGAFQWSA-N 1 0 317.311 2.973 20 5 DFBDRO CC1(C)CC(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000563882270 302105440 /nfs/dbraw/zinc/10/54/40/302105440.db2.gz WOILHPACQWTISV-UHFFFAOYSA-N 1 0 305.378 2.949 20 5 DFBDRO CC1CCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564737108 302155398 /nfs/dbraw/zinc/15/53/98/302155398.db2.gz DLOPCLBJHZAYFC-MRXNPFEDSA-N 1 0 303.406 2.904 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000565463279 302226023 /nfs/dbraw/zinc/22/60/23/302226023.db2.gz NZKBPMWWERBBBS-DVOMOZLQSA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000565463286 302226328 /nfs/dbraw/zinc/22/63/28/302226328.db2.gz NZKBPMWWERBBBS-XJKCOSOUSA-N 1 0 308.378 2.605 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565573602 302230224 /nfs/dbraw/zinc/23/02/24/302230224.db2.gz PFCAVDFAXBAYIG-CYBMUJFWSA-N 1 0 307.394 2.546 20 5 DFBDRO C[C@H](C(=O)NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000565632992 302234066 /nfs/dbraw/zinc/23/40/66/302234066.db2.gz YCUDINPGAZISEI-ZDUSSCGKSA-N 1 0 319.405 2.546 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000566098821 302259055 /nfs/dbraw/zinc/25/90/55/302259055.db2.gz VRLCAYXADSXTQE-ZWNOBZJWSA-N 1 0 323.418 2.564 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC(C)(C)CCC[NH3+])c1 ZINC000567344991 302351757 /nfs/dbraw/zinc/35/17/57/302351757.db2.gz XBOIGHNZVNTEBB-UHFFFAOYSA-N 1 0 311.407 2.564 20 5 DFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000567420776 302357647 /nfs/dbraw/zinc/35/76/47/302357647.db2.gz ZGZAZCWZFXGOQI-KRWDZBQOSA-N 1 0 316.357 2.605 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567892642 302397071 /nfs/dbraw/zinc/39/70/71/302397071.db2.gz AXKPXCXTCKDARX-IJEWVQPXSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+]C1(C2CC2)CC1 ZINC000568564946 302459471 /nfs/dbraw/zinc/45/94/71/302459471.db2.gz BKAGZJSTASKKMO-UHFFFAOYSA-N 1 0 303.362 2.764 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H](O)CCc2ccccc2)c1 ZINC000569803387 302538463 /nfs/dbraw/zinc/53/84/63/302538463.db2.gz QRIGGJVGVUPMQS-SFHVURJKSA-N 1 0 314.385 2.721 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3Cc4ccccc4C3)nc2c1 ZINC000570892718 302596646 /nfs/dbraw/zinc/59/66/46/302596646.db2.gz CGLUIRYHCQIPTL-UHFFFAOYSA-N 1 0 322.368 2.976 20 5 DFBDRO CCN(CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000571150634 302606333 /nfs/dbraw/zinc/60/63/33/302606333.db2.gz NFBGHPSHLJSSQS-LSDHHAIUSA-N 1 0 323.441 2.595 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000573906512 302729880 /nfs/dbraw/zinc/72/98/80/302729880.db2.gz ADJDHQPECPBEBT-OKILXGFUSA-N 1 0 312.373 2.579 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)C1 ZINC000574100465 302740480 /nfs/dbraw/zinc/74/04/80/302740480.db2.gz RNIQTSLWTXKZOT-ZDUSSCGKSA-N 1 0 322.409 2.698 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000181826142 316074885 /nfs/dbraw/zinc/07/48/85/316074885.db2.gz DNALSDBDBWPWHB-OLZOCXBDSA-N 1 0 307.394 2.715 20 5 DFBDRO CC1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182178590 316088623 /nfs/dbraw/zinc/08/86/23/316088623.db2.gz MGUPZOCDBGMJQI-YMAMQOFZSA-N 1 0 322.405 2.845 20 5 DFBDRO CC1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000182178571 316089215 /nfs/dbraw/zinc/08/92/15/316089215.db2.gz MGUPZOCDBGMJQI-NRXISQOPSA-N 1 0 322.405 2.845 20 5 DFBDRO COC[C@@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187365828 316208525 /nfs/dbraw/zinc/20/85/25/316208525.db2.gz FPBPDOXNTZSDDM-ZDUSSCGKSA-N 1 0 308.378 2.721 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000318819185 316249669 /nfs/dbraw/zinc/24/96/69/316249669.db2.gz JUDIWERUNSHMLW-HUUCEWRRSA-N 1 0 308.378 2.767 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000421681457 316744498 /nfs/dbraw/zinc/74/44/98/316744498.db2.gz XLQAJBCCNRSLFQ-UHFFFAOYSA-N 1 0 319.405 2.516 20 5 DFBDRO CC(C)[C@@H](C[NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000433134351 316879100 /nfs/dbraw/zinc/87/91/00/316879100.db2.gz GQKFKJFOFAMALV-OAHLLOKOSA-N 1 0 307.394 2.563 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(F)(c3ccccc3)CC2)n1 ZINC000434506630 316903550 /nfs/dbraw/zinc/90/35/50/316903550.db2.gz VZLMPECVUIBHRK-UHFFFAOYSA-N 1 0 318.352 2.752 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000446485073 317012587 /nfs/dbraw/zinc/01/25/87/317012587.db2.gz MNNFKJMCMQXMEO-UHFFFAOYSA-N 1 0 318.377 2.677 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000446730117 317020786 /nfs/dbraw/zinc/02/07/86/317020786.db2.gz ULGOEZFIGIXMOB-ZDUSSCGKSA-N 1 0 308.378 2.960 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(C)(F)C1 ZINC000449378503 317033725 /nfs/dbraw/zinc/03/37/25/317033725.db2.gz XBKHIOSJSUPLPW-CKQAKLJMSA-N 1 0 309.341 2.792 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)c(F)c1 ZINC000449558109 317044053 /nfs/dbraw/zinc/04/40/53/317044053.db2.gz VUTHZIUQLRNAOL-XUJVJEKNSA-N 1 0 308.353 2.717 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000449559471 317044415 /nfs/dbraw/zinc/04/44/15/317044415.db2.gz YKLKFPHUWJZYCX-FRFSOERESA-N 1 0 304.390 2.886 20 5 DFBDRO NC(=O)c1ccc(C[NH2+][C@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451461285 317115897 /nfs/dbraw/zinc/11/58/97/317115897.db2.gz TTWPDMLCGAOVMJ-AWEZNQCLSA-N 1 0 303.362 2.506 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000453245497 317171409 /nfs/dbraw/zinc/17/14/09/317171409.db2.gz KXSQLGTYAAWHFK-SJKOYZFVSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1[N+](=O)[O-] ZINC000453452942 317185002 /nfs/dbraw/zinc/18/50/02/317185002.db2.gz SOFYYSHAJIKUHO-AEGPPILISA-N 1 0 317.389 2.707 20 5 DFBDRO CC(C)[C@@H]1CN(CCCOc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000487995561 317358152 /nfs/dbraw/zinc/35/81/52/317358152.db2.gz AJRFKMYLKJQHJU-KRWDZBQOSA-N 1 0 321.421 2.636 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000491534902 317581543 /nfs/dbraw/zinc/58/15/43/317581543.db2.gz ZWBBNJUJERGBDU-CMDGGOBGSA-N 1 0 319.405 2.654 20 5 DFBDRO COC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000497280937 317675817 /nfs/dbraw/zinc/67/58/17/317675817.db2.gz IGLUHVZALNTOGO-LBPRGKRZSA-N 1 0 321.377 2.724 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000558296133 317880621 /nfs/dbraw/zinc/88/06/21/317880621.db2.gz RWSMNVBRTLRKPI-DZGCQCFKSA-N 1 0 315.373 2.725 20 5 DFBDRO O=[N+]([O-])c1cc2cnn(CCC3CC[NH2+]CC3)c2c(Cl)c1 ZINC000572750433 318002226 /nfs/dbraw/zinc/00/22/26/318002226.db2.gz SQDBFSOLTXCTTG-UHFFFAOYSA-N 1 0 308.769 2.988 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 ZINC000575865489 318088220 /nfs/dbraw/zinc/08/82/20/318088220.db2.gz FBCBNBUIWMHJQG-JOCQHMNTSA-N 1 0 315.377 2.618 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(CSCC3CC[NH2+]CC3)nc2c1 ZINC000576036089 318099672 /nfs/dbraw/zinc/09/96/72/318099672.db2.gz JAMHKLNYXQLMCZ-UHFFFAOYSA-N 1 0 306.391 2.704 20 5 DFBDRO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296041 318117173 /nfs/dbraw/zinc/11/71/73/318117173.db2.gz ZECYIBYIUQJKLH-KBPBESRZSA-N 1 0 319.405 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000576471201 318129055 /nfs/dbraw/zinc/12/90/55/318129055.db2.gz DKAVPLOHFOGWTJ-STQMWFEESA-N 1 0 302.378 2.919 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000576583811 318136057 /nfs/dbraw/zinc/13/60/57/318136057.db2.gz HQBATINUEPTJCP-DOMZBBRYSA-N 1 0 319.405 2.953 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000578450582 318262103 /nfs/dbraw/zinc/26/21/03/318262103.db2.gz FZMQLLHKQQONBI-HUUCEWRRSA-N 1 0 308.378 2.631 20 5 DFBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578499405 318264813 /nfs/dbraw/zinc/26/48/13/318264813.db2.gz LNUCXRMOYJLRIY-IJEWVQPXSA-N 1 0 322.405 2.750 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578519420 318266879 /nfs/dbraw/zinc/26/68/79/318266879.db2.gz FBUQMQMJKLENLP-CABCVRRESA-N 1 0 305.378 2.509 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000579706133 318348887 /nfs/dbraw/zinc/34/88/87/318348887.db2.gz YBRAIXJHDBKVOL-CJNGLKHVSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000579876407 318360213 /nfs/dbraw/zinc/36/02/13/318360213.db2.gz APUCLEUZUADORD-YPMHNXCESA-N 1 0 303.362 2.776 20 5 DFBDRO COCCOCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000579893035 318360755 /nfs/dbraw/zinc/36/07/55/318360755.db2.gz PBGPIMJJXBDALG-SDNWHVSQSA-N 1 0 308.378 2.593 20 5 DFBDRO CC[N@@H+]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000385467281 323310816 /nfs/dbraw/zinc/31/08/16/323310816.db2.gz BJMDVTVWOGYSRC-SNVBAGLBSA-N 1 0 314.183 2.863 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000389713849 323336421 /nfs/dbraw/zinc/33/64/21/323336421.db2.gz ZPWJSIHKKFKVRK-QPUJVOFHSA-N 1 0 314.183 2.767 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CO)C2CCCCC2)cc1 ZINC000395275246 323352161 /nfs/dbraw/zinc/35/21/61/323352161.db2.gz COEXSNNFPRDYEA-INIZCTEOSA-N 1 0 308.378 2.504 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CF)CCC1 ZINC000580329033 323372041 /nfs/dbraw/zinc/37/20/41/323372041.db2.gz ZNDORLFPNVLBBT-LLVKDONJSA-N 1 0 309.341 2.794 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000580779087 323434183 /nfs/dbraw/zinc/43/41/83/323434183.db2.gz XHJOHWZJEOCTSU-CHWSQXEVSA-N 1 0 317.389 2.565 20 5 DFBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580888382 323447549 /nfs/dbraw/zinc/44/75/49/323447549.db2.gz MBXMTMRRYVCSRQ-AWEZNQCLSA-N 1 0 324.421 2.996 20 5 DFBDRO C[C@@]1(O)CC[N@H+](Cc2cc(=O)oc3ccc4ccccc4c23)C1 ZINC000177991460 333134103 /nfs/dbraw/zinc/13/41/03/333134103.db2.gz DRCKWOMBUIKENM-LJQANCHMSA-N 1 0 309.365 2.903 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000423656393 337726308 /nfs/dbraw/zinc/72/63/08/337726308.db2.gz WWTKIUNJMNUCCH-SJKOYZFVSA-N 1 0 305.381 2.950 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415291189 500979068 /nfs/dbraw/zinc/97/90/68/500979068.db2.gz FSFMNJHZDKOWCD-GXFFZTMASA-N 1 0 320.393 2.660 20 5 DFBDRO COc1cc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000305812909 533785238 /nfs/dbraw/zinc/78/52/38/533785238.db2.gz IRGLEORNTWBYML-ZFWWWQNUSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971724 533848126 /nfs/dbraw/zinc/84/81/26/533848126.db2.gz MHVIPPSOTUTGSX-KRWDZBQOSA-N 1 0 303.406 2.821 20 5 DFBDRO C[C@H]([NH2+]Cc1cnn(CC(F)F)c1)c1cccc([N+](=O)[O-])c1 ZINC000292998807 533938390 /nfs/dbraw/zinc/93/83/90/533938390.db2.gz NOJNELVAQATSJG-JTQLQIEISA-N 1 0 310.304 2.907 20 5 DFBDRO Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)on1 ZINC000296735127 533978090 /nfs/dbraw/zinc/97/80/90/533978090.db2.gz OIOZABSQJAUQFS-WDEREUQCSA-N 1 0 318.333 2.569 20 5 DFBDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000331351053 534133952 /nfs/dbraw/zinc/13/39/52/534133952.db2.gz NZRLXCMOIGHUNY-NWDGAFQWSA-N 1 0 323.418 2.749 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000330996051 534339595 /nfs/dbraw/zinc/33/95/95/534339595.db2.gz MBSMVXBCWDQLRM-NSHDSACASA-N 1 0 305.378 2.962 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000156666000 522053436 /nfs/dbraw/zinc/05/34/36/522053436.db2.gz HIPYDPQOLKAHQF-JTQLQIEISA-N 1 0 303.284 2.802 20 5 DFBDRO CC(=O)c1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000294871147 527209704 /nfs/dbraw/zinc/20/97/04/527209704.db2.gz DZZLNCCVHHSLHZ-GFCCVEGCSA-N 1 0 317.389 2.718 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)cn1 ZINC000128383081 527300487 /nfs/dbraw/zinc/30/04/87/527300487.db2.gz IRLIXBSZORJYIT-CSPWOOARSA-N 1 0 312.373 2.831 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365097290 527355079 /nfs/dbraw/zinc/35/50/79/527355079.db2.gz YILDRYQKINFOJX-HIFRSBDPSA-N 1 0 323.780 2.592 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873533 527835739 /nfs/dbraw/zinc/83/57/39/527835739.db2.gz SJDALFMOOGBSNN-ZFWWWQNUSA-N 1 0 321.421 2.908 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302036718 527981117 /nfs/dbraw/zinc/98/11/17/527981117.db2.gz MDXPNBQRLQXENQ-CQSZACIVSA-N 1 0 307.394 2.619 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000317523950 529012232 /nfs/dbraw/zinc/01/22/32/529012232.db2.gz SNLCNWMTUFOXBT-HZPDHXFCSA-N 1 0 308.378 2.831 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000299345573 529013648 /nfs/dbraw/zinc/01/36/48/529013648.db2.gz FUTUAJWLADMNEU-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO CC(C)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCCCC1 ZINC000302167454 529017008 /nfs/dbraw/zinc/01/70/08/529017008.db2.gz SABHLGUIDSUWHK-AWEZNQCLSA-N 1 0 307.398 2.697 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000294572548 529089847 /nfs/dbraw/zinc/08/98/47/529089847.db2.gz BXTZUGKUVRRBSU-XUJVJEKNSA-N 1 0 306.410 2.556 20 5 DFBDRO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000294570559 529105982 /nfs/dbraw/zinc/10/59/82/529105982.db2.gz BXTZUGKUVRRBSU-HUBLWGQQSA-N 1 0 306.410 2.556 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000250430892 535121562 /nfs/dbraw/zinc/12/15/62/535121562.db2.gz ITSIMHYOYYPWHN-HIFRSBDPSA-N 1 0 319.405 2.894 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000355339032 535846450 /nfs/dbraw/zinc/84/64/50/535846450.db2.gz JELHINXQJZUKKD-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CCC(C[NH+](C)C)CC1 ZINC000361074339 535969684 /nfs/dbraw/zinc/96/96/84/535969684.db2.gz UCRZCELBRCYSAN-UHFFFAOYSA-N 1 0 309.414 2.652 20 5 DFBDRO CN(C(=O)C[N@H+](CC1CC1)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000361587729 535982682 /nfs/dbraw/zinc/98/26/82/535982682.db2.gz WQKWIFPDVHTWBF-UHFFFAOYSA-N 1 0 317.389 2.822 20 5 DFBDRO C[NH+](C)Cc1cccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000172616852 536027189 /nfs/dbraw/zinc/02/71/89/536027189.db2.gz JGSAENQMVBTPTD-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000355447106 536306652 /nfs/dbraw/zinc/30/66/52/536306652.db2.gz YORHGOWWSSDNSX-UHFFFAOYSA-N 1 0 319.283 2.808 20 5 DFBDRO C[NH2+][C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000261542128 536404513 /nfs/dbraw/zinc/40/45/13/536404513.db2.gz BVSUYTMQIKQEKP-MRVPVSSYSA-N 1 0 302.172 2.686 20 5 DFBDRO 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 219040569 /nfs/dbraw/zinc/04/05/69/219040569.db2.gz NXBPNHHFKTWEQI-PVIIJVKYSA-N 1 0 306.337 2.589 20 5 DFBDRO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459272807 299071631 /nfs/dbraw/zinc/07/16/31/299071631.db2.gz XUFWXJNGGYDYEF-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO CC1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000078991286 185142204 /nfs/dbraw/zinc/14/22/04/185142204.db2.gz CCJWODRNFDQDHW-XUJLQICISA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000317001693 231157460 /nfs/dbraw/zinc/15/74/60/231157460.db2.gz SYDINFWNXIUPPW-TZMCWYRMSA-N 1 0 307.369 2.793 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000319354739 231183814 /nfs/dbraw/zinc/18/38/14/231183814.db2.gz WECMEXDHRFHEBV-GVDBMIGSSA-N 1 0 304.390 2.763 20 5 DFBDRO Cc1c(C[NH2+]Cc2cccc3c2OCCO3)cccc1[N+](=O)[O-] ZINC000323443499 231215172 /nfs/dbraw/zinc/21/51/72/231215172.db2.gz DGVFSTUYBAMWGR-UHFFFAOYSA-N 1 0 314.341 2.964 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000322601530 231212721 /nfs/dbraw/zinc/21/27/21/231212721.db2.gz MVOVPMZRSZLTME-FMKPAKJESA-N 1 0 320.389 2.729 20 5 DFBDRO CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000278863350 214453842 /nfs/dbraw/zinc/45/38/42/214453842.db2.gz WNKOZUQRSBCYNO-MRXNPFEDSA-N 1 0 319.405 2.500 20 5 DFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000007923956 398366779 /nfs/dbraw/zinc/36/67/79/398366779.db2.gz ZKMWDBBYQCQJRE-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3ccccc3)CC2)cn1 ZINC000596250544 398367423 /nfs/dbraw/zinc/36/74/23/398367423.db2.gz FNDVCJCSBCJGCM-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000008351037 398371924 /nfs/dbraw/zinc/37/19/24/398371924.db2.gz HEQNPXABHVCMSE-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000317436215 529594446 /nfs/dbraw/zinc/59/44/46/529594446.db2.gz REIIAHOCUIKKPM-AWEZNQCLSA-N 1 0 307.394 2.940 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000295000168 529650353 /nfs/dbraw/zinc/65/03/53/529650353.db2.gz IJEQMUZYEQWKJF-JKOKRWQUSA-N 1 0 316.348 2.910 20 5 DFBDRO COc1cc(N(C)C[C@H]2CCC[N@@H+]2C)c(Cl)cc1[N+](=O)[O-] ZINC000596279774 398375570 /nfs/dbraw/zinc/37/55/70/398375570.db2.gz WFNBHWAYLVPGRZ-SNVBAGLBSA-N 1 0 313.785 2.787 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000596307718 398381566 /nfs/dbraw/zinc/38/15/66/398381566.db2.gz DBSXUTDUYUEWJR-NSHDSACASA-N 1 0 304.394 2.848 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000596307758 398381593 /nfs/dbraw/zinc/38/15/93/398381593.db2.gz OYZJHVJRYLHGNR-JTQLQIEISA-N 1 0 323.422 2.836 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCc1c(F)cccc1F)CC2 ZINC000592096681 398383137 /nfs/dbraw/zinc/38/31/37/398383137.db2.gz BCHAWMPMBOZTIN-UHFFFAOYSA-N 1 0 319.311 2.869 20 5 DFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCOC1 ZINC000083173589 398384629 /nfs/dbraw/zinc/38/46/29/398384629.db2.gz HBVPWXIJYARKQT-NSHDSACASA-N 1 0 305.334 2.594 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000090454161 185297494 /nfs/dbraw/zinc/29/74/94/185297494.db2.gz GTSGYGJCMMKWDI-YPMHNXCESA-N 1 0 300.362 2.834 20 5 DFBDRO CSc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538719 185301681 /nfs/dbraw/zinc/30/16/81/185301681.db2.gz JGGIVWVOPMWTEO-LLVKDONJSA-N 1 0 306.391 2.864 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000596335734 398389223 /nfs/dbraw/zinc/38/92/23/398389223.db2.gz HRTMLMHSGGIHIK-NSHDSACASA-N 1 0 315.377 2.823 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000596361446 398394716 /nfs/dbraw/zinc/39/47/16/398394716.db2.gz STVNVGHNXXLAFZ-AWEZNQCLSA-N 1 0 308.426 2.587 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000596359333 398394972 /nfs/dbraw/zinc/39/49/72/398394972.db2.gz AMVAECSSVFFUFC-AWEZNQCLSA-N 1 0 308.426 2.587 20 5 DFBDRO C[N@H+](CCc1ccncc1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000181473757 199303494 /nfs/dbraw/zinc/30/34/94/199303494.db2.gz NCHQNSMCJKSFLM-UHFFFAOYSA-N 1 0 312.329 2.806 20 5 DFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000181444716 199297643 /nfs/dbraw/zinc/29/76/43/199297643.db2.gz DMVOOXULOSJECX-RYUDHWBXSA-N 1 0 321.377 2.571 20 5 DFBDRO Cc1cc(N2CC[C@@H]([C@H](C)O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272808322 210211887 /nfs/dbraw/zinc/21/18/87/210211887.db2.gz GHXQKRWLRFJWEX-NWDGAFQWSA-N 1 0 301.346 2.659 20 5 DFBDRO CC[N@H+](CCSC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000592205448 398402170 /nfs/dbraw/zinc/40/21/70/398402170.db2.gz ZGOYEOBZQHMAIR-UHFFFAOYSA-N 1 0 311.407 2.608 20 5 DFBDRO CC[N@H+](CCSC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000592204045 398402531 /nfs/dbraw/zinc/40/25/31/398402531.db2.gz QXOSDXQGJZENSA-UHFFFAOYSA-N 1 0 311.407 2.608 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592247950 398407711 /nfs/dbraw/zinc/40/77/11/398407711.db2.gz QJBGQPWQAAUETK-IUODEOHRSA-N 1 0 317.389 2.542 20 5 DFBDRO Cc1ccccc1C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000018898851 398407788 /nfs/dbraw/zinc/40/77/88/398407788.db2.gz XDWFSKUMRDSJQB-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596437563 398412318 /nfs/dbraw/zinc/41/23/18/398412318.db2.gz WSEPQLHLCMGYDK-CYBMUJFWSA-N 1 0 306.366 2.543 20 5 DFBDRO CC[C@H](NC(=O)NCC[C@@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000596454187 398416378 /nfs/dbraw/zinc/41/63/78/398416378.db2.gz NCOCINQQJBKCPL-DOMZBBRYSA-N 1 0 322.409 2.685 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332501 398413275 /nfs/dbraw/zinc/41/32/75/398413275.db2.gz YTIVWBSPUYLWTA-PWSUYJOCSA-N 1 0 323.418 2.516 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592332308 398413336 /nfs/dbraw/zinc/41/33/36/398413336.db2.gz WAMPXGOLVAGUME-ZWNOBZJWSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@H]([NH3+])CNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592333705 398413391 /nfs/dbraw/zinc/41/33/91/398413391.db2.gz NZGZMWQWLLVTMO-JTQLQIEISA-N 1 0 323.418 2.707 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596448377 398415072 /nfs/dbraw/zinc/41/50/72/398415072.db2.gz XTCYWKGMFIXCPS-SNVBAGLBSA-N 1 0 324.356 2.728 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2C[C@H]2c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000592355994 398415057 /nfs/dbraw/zinc/41/50/57/398415057.db2.gz CDPQPYCFNGKSNC-YNEHKIRRSA-N 1 0 300.318 2.673 20 5 DFBDRO Cc1cc(N2CCO[C@H](CF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413467723 295710978 /nfs/dbraw/zinc/71/09/78/295710978.db2.gz AOJCIIVKUJNRJX-GFCCVEGCSA-N 1 0 305.309 2.626 20 5 DFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](CC)C1 ZINC000596458937 398417924 /nfs/dbraw/zinc/41/79/24/398417924.db2.gz YIAAVCDCYHVAOF-GFCCVEGCSA-N 1 0 324.356 2.682 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584830449 398418191 /nfs/dbraw/zinc/41/81/91/398418191.db2.gz RLPJSBVPEWJNSY-DLBZAZTESA-N 1 0 319.405 2.580 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584833018 398418426 /nfs/dbraw/zinc/41/84/26/398418426.db2.gz PUADLYLVCZJXMF-AWEZNQCLSA-N 1 0 317.389 2.522 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592432436 398425176 /nfs/dbraw/zinc/42/51/76/398425176.db2.gz JBMWXPOSCYBQNO-GOEBONIOSA-N 1 0 303.406 2.902 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CC[NH2+]C12CCCC2 ZINC000592438328 398426150 /nfs/dbraw/zinc/42/61/50/398426150.db2.gz KVDJDNAHLZATLW-WRLNGNIRSA-N 1 0 301.390 2.872 20 5 DFBDRO Cc1cc(NC[C@H](CO)CC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596492093 398429051 /nfs/dbraw/zinc/42/90/51/398429051.db2.gz LNLJBRGIYVRFHQ-CYBMUJFWSA-N 1 0 315.373 2.694 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000024208134 398429450 /nfs/dbraw/zinc/42/94/50/398429450.db2.gz AWFBRWOMHXKWFH-UHFFFAOYSA-N 1 0 322.365 2.812 20 5 DFBDRO C[NH+](C)CCN(c1nc2sccn2c1[N+](=O)[O-])C1CCCC1 ZINC000585701967 398440169 /nfs/dbraw/zinc/44/01/69/398440169.db2.gz GWIUMILYMKXJQQ-UHFFFAOYSA-N 1 0 323.422 2.615 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000320358479 529939215 /nfs/dbraw/zinc/93/92/15/529939215.db2.gz RDIPTPYNDUOYKN-GFCCVEGCSA-N 1 0 313.357 2.805 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1CCC([NH3+])CC1 ZINC000592501843 398436610 /nfs/dbraw/zinc/43/66/10/398436610.db2.gz OGBWEJLACKOCCF-UHFFFAOYSA-N 1 0 319.405 2.849 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596546067 398443889 /nfs/dbraw/zinc/44/38/89/398443889.db2.gz WUVHLTSLLXMRPI-GTNSWQLSSA-N 1 0 315.373 2.906 20 5 DFBDRO [NH3+]C1CCC(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000592558426 398444826 /nfs/dbraw/zinc/44/48/26/398444826.db2.gz OGXSZKDJTOSSRC-UHFFFAOYSA-N 1 0 317.389 2.603 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@H]2CNC(=O)C2)C1 ZINC000585785748 398446881 /nfs/dbraw/zinc/44/68/81/398446881.db2.gz ANPAWBPVVFCZDX-MGPQQGTHSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796347 398447810 /nfs/dbraw/zinc/44/78/10/398447810.db2.gz RJEYUUBKJYWONN-KGLIPLIRSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1ccnc(NC[C@H]2CCC[N@H+](CC3CC3)C2)c1[N+](=O)[O-] ZINC000596570377 398450036 /nfs/dbraw/zinc/45/00/36/398450036.db2.gz JCRXJMLMBAHEJH-CQSZACIVSA-N 1 0 304.394 2.832 20 5 DFBDRO Cc1nnc([C@@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000273664930 398450324 /nfs/dbraw/zinc/45/03/24/398450324.db2.gz YKFNEFMKGKETJE-SNVBAGLBSA-N 1 0 322.390 2.874 20 5 DFBDRO C[NH+](C)Cc1ccc(F)c(-c2cc(CO)cc([N+](=O)[O-])c2)c1 ZINC000596640105 398468491 /nfs/dbraw/zinc/46/84/91/398468491.db2.gz DSYLNZDNYFCVBQ-UHFFFAOYSA-N 1 0 304.321 2.955 20 5 DFBDRO COC[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089908214 398469457 /nfs/dbraw/zinc/46/94/57/398469457.db2.gz SKJZPWCDOAWGCE-OAHLLOKOSA-N 1 0 317.345 2.861 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587630383 398472254 /nfs/dbraw/zinc/47/22/54/398472254.db2.gz FDWJXUDJMPPRTP-SNVBAGLBSA-N 1 0 321.406 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000089971093 398473736 /nfs/dbraw/zinc/47/37/36/398473736.db2.gz VXLZQCUAMJRFED-UHFFFAOYSA-N 1 0 318.295 2.527 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083409838 192369708 /nfs/dbraw/zinc/36/97/08/192369708.db2.gz ORDPTHMAYOUGLQ-INIZCTEOSA-N 1 0 320.389 2.755 20 5 DFBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181741617 199346343 /nfs/dbraw/zinc/34/63/43/199346343.db2.gz JAJIKCVYVNWBID-TXEJJXNPSA-N 1 0 321.352 2.794 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000068194105 398485125 /nfs/dbraw/zinc/48/51/25/398485125.db2.gz RVXFPSVXTGTNFL-UHFFFAOYSA-N 1 0 311.407 2.651 20 5 DFBDRO COc1cccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000277846622 213811725 /nfs/dbraw/zinc/81/17/25/213811725.db2.gz JZBTXJFGWWMACZ-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000588231206 398490799 /nfs/dbraw/zinc/49/07/99/398490799.db2.gz HQJBNLHPTOEKFS-JSGCOSHPSA-N 1 0 310.394 2.909 20 5 DFBDRO CCC[C@@H]([NH2+]CC1(CO)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090660405 398490866 /nfs/dbraw/zinc/49/08/66/398490866.db2.gz LYUZVWCPVKATST-MRXNPFEDSA-N 1 0 322.405 2.815 20 5 DFBDRO COC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000090650425 398491176 /nfs/dbraw/zinc/49/11/76/398491176.db2.gz QXZBBFYQOGTSJV-CQSZACIVSA-N 1 0 322.405 2.701 20 5 DFBDRO CCCCNC(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000029929388 398494225 /nfs/dbraw/zinc/49/42/25/398494225.db2.gz ZLOZHFDTIMCPMG-UHFFFAOYSA-N 1 0 319.405 2.723 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC000068334814 398496587 /nfs/dbraw/zinc/49/65/87/398496587.db2.gz WDSFDQZEGYCTIU-LLVKDONJSA-N 1 0 309.366 2.518 20 5 DFBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000030270996 398499366 /nfs/dbraw/zinc/49/93/66/398499366.db2.gz KKAHGKSNINFATF-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000030274258 398499662 /nfs/dbraw/zinc/49/96/62/398499662.db2.gz NARKNCZTLDBDBF-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000068449675 398504538 /nfs/dbraw/zinc/50/45/38/398504538.db2.gz FEMZENDOZONTIE-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C)Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000030971270 398508561 /nfs/dbraw/zinc/50/85/61/398508561.db2.gz IUBHEKFAKHETML-JTQLQIEISA-N 1 0 302.334 2.875 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC([NH+]2CCCCC2)CC1 ZINC000588815079 398508872 /nfs/dbraw/zinc/50/88/72/398508872.db2.gz QJZQVVUHLRGXLW-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000588820222 398509867 /nfs/dbraw/zinc/50/98/67/398509867.db2.gz JSNINTGBMBIJTQ-AWEZNQCLSA-N 1 0 321.425 2.574 20 5 DFBDRO C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000314616542 398520119 /nfs/dbraw/zinc/52/01/19/398520119.db2.gz JKSTXTHFDHNAPZ-CHWSQXEVSA-N 1 0 305.378 2.552 20 5 DFBDRO CC1(C)CC(Nc2c(Cl)cncc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000589102749 398525667 /nfs/dbraw/zinc/52/56/67/398525667.db2.gz BWDRXBZHWANQKB-UHFFFAOYSA-N 1 0 312.801 2.786 20 5 DFBDRO Cc1sc(C(=O)NCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000032245308 398527571 /nfs/dbraw/zinc/52/75/71/398527571.db2.gz LMGAXXWAJMIKCU-UHFFFAOYSA-N 1 0 313.423 2.813 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596912372 398528698 /nfs/dbraw/zinc/52/86/98/398528698.db2.gz GDCGNSWWPDJSPR-LLVKDONJSA-N 1 0 308.382 2.619 20 5 DFBDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000593045394 398529746 /nfs/dbraw/zinc/52/97/46/398529746.db2.gz IPVLIHXJKTUZGX-ZDUSSCGKSA-N 1 0 320.418 2.904 20 5 DFBDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000593049845 398530862 /nfs/dbraw/zinc/53/08/62/398530862.db2.gz SGSMMOLJCSEKNL-YMTOWFKASA-N 1 0 302.321 2.760 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000091457506 398530069 /nfs/dbraw/zinc/53/00/69/398530069.db2.gz WQIWWDSPRDJDII-NSHDSACASA-N 1 0 311.357 2.886 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593054920 398532487 /nfs/dbraw/zinc/53/24/87/398532487.db2.gz HRNOJKKOALFGPR-CQSZACIVSA-N 1 0 308.378 2.993 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286902503 219217622 /nfs/dbraw/zinc/21/76/22/219217622.db2.gz CMMQIGPYJMGDRJ-BBRMVZONSA-N 1 0 317.389 2.602 20 5 DFBDRO [NH3+]CCN(Cc1nc2c(s1)CCC2)c1ccccc1[N+](=O)[O-] ZINC000589190894 398535069 /nfs/dbraw/zinc/53/50/69/398535069.db2.gz UCICOWHTYFUWGG-UHFFFAOYSA-N 1 0 318.402 2.505 20 5 DFBDRO C[C@@](CO)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000317787243 398536663 /nfs/dbraw/zinc/53/66/63/398536663.db2.gz QFKPACOJTFDYGQ-KRWDZBQOSA-N 1 0 300.358 2.635 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000032730334 398536099 /nfs/dbraw/zinc/53/60/99/398536099.db2.gz IZJDYDOSOCDTGC-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO CC1(C)Cc2ccsc2C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000459589912 299141890 /nfs/dbraw/zinc/14/18/90/299141890.db2.gz XXWKMOCUMYIVHK-UHFFFAOYSA-N 1 0 306.391 2.690 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206501 398538012 /nfs/dbraw/zinc/53/80/12/398538012.db2.gz OVHDIQGNISMXBA-CZUORRHYSA-N 1 0 307.369 2.650 20 5 DFBDRO O=[N+]([O-])c1cccc(CN(Cc2cnn3c2CCC3)C2CC2)c1 ZINC000596979031 398539286 /nfs/dbraw/zinc/53/92/86/398539286.db2.gz FLVWURKYLLGKSG-UHFFFAOYSA-N 1 0 312.373 2.902 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318797460 398539543 /nfs/dbraw/zinc/53/95/43/398539543.db2.gz ZTIRWSQKUGJVAI-LLVKDONJSA-N 1 0 303.366 2.680 20 5 DFBDRO CCOC(=O)C1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000319560054 398542368 /nfs/dbraw/zinc/54/23/68/398542368.db2.gz HMIAKQCVOJEWBF-UHFFFAOYSA-N 1 0 306.362 2.806 20 5 DFBDRO C[C@@H](c1ccco1)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000069067076 398545823 /nfs/dbraw/zinc/54/58/23/398545823.db2.gz RLKDJYOVAHCRMO-JSGCOSHPSA-N 1 0 320.345 2.621 20 5 DFBDRO CC[NH+]1CCC(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000321975614 398555543 /nfs/dbraw/zinc/55/55/43/398555543.db2.gz INJHAYRXCSQHKP-UHFFFAOYSA-N 1 0 315.377 2.682 20 5 DFBDRO CCC[NH+]1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000321957396 398555600 /nfs/dbraw/zinc/55/56/00/398555600.db2.gz FFIDHXZKAMDPTB-UHFFFAOYSA-N 1 0 315.377 2.824 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000286970230 219249987 /nfs/dbraw/zinc/24/99/87/219249987.db2.gz PHKYXPRPJLJSCB-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000589494554 398556224 /nfs/dbraw/zinc/55/62/24/398556224.db2.gz NMYQVPQVZXRPIZ-VXGBXAGGSA-N 1 0 306.362 2.859 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000279803573 215159806 /nfs/dbraw/zinc/15/98/06/215159806.db2.gz WKHTVUHRKWISOQ-OWCLPIDISA-N 1 0 302.374 2.685 20 5 DFBDRO COC(=O)c1oc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1C ZINC000597070916 398560257 /nfs/dbraw/zinc/56/02/57/398560257.db2.gz PRULBFHCDRYJFC-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000287001375 219263862 /nfs/dbraw/zinc/26/38/62/219263862.db2.gz QYYCQWPKBAJPRO-PBHICJAKSA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCCSCC3)nc2c1 ZINC000597117068 398570479 /nfs/dbraw/zinc/57/04/79/398570479.db2.gz MGNZNAJSRXVQED-JTQLQIEISA-N 1 0 306.391 2.846 20 5 DFBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414352930 295791322 /nfs/dbraw/zinc/79/13/22/295791322.db2.gz XQLMNBODALDTNN-NHYWBVRUSA-N 1 0 319.405 2.820 20 5 DFBDRO CCc1ccncc1NCc1cc(OC)c([O-])c([N+](=O)[O-])c1 ZINC000593221359 398574052 /nfs/dbraw/zinc/57/40/52/398574052.db2.gz AINGEXCLHYAIMY-UHFFFAOYSA-N 1 0 303.318 2.879 20 5 DFBDRO CC(C)NC(=O)[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000414352932 295791375 /nfs/dbraw/zinc/79/13/75/295791375.db2.gz XQLMNBODALDTNN-XHDPSFHLSA-N 1 0 319.405 2.820 20 5 DFBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000589744586 398574180 /nfs/dbraw/zinc/57/41/80/398574180.db2.gz WIPGPJCGLPVRLJ-HNNXBMFYSA-N 1 0 308.378 2.863 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CCC2(CC[NH2+]C2)CC1 ZINC000593228975 398576162 /nfs/dbraw/zinc/57/61/62/398576162.db2.gz CLTDIYZWYCGCMN-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH3+])cc1F ZINC000593235405 398577739 /nfs/dbraw/zinc/57/77/39/398577739.db2.gz UJGYNQFKCQSKBL-UHFFFAOYSA-N 1 0 319.336 2.951 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)c(F)c1 ZINC000589938946 398584385 /nfs/dbraw/zinc/58/43/85/398584385.db2.gz GJJUMQVKXBEYHX-JOYOIKCWSA-N 1 0 322.258 2.669 20 5 DFBDRO CCC(CC)(C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000589939342 398584518 /nfs/dbraw/zinc/58/45/18/398584518.db2.gz PEEIWCVSMQMQQD-UHFFFAOYSA-N 1 0 324.377 2.661 20 5 DFBDRO CCOc1cc(N(C)C2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000092585128 398586386 /nfs/dbraw/zinc/58/63/86/398586386.db2.gz OHBPIWPBYFWGLP-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)Cc1nnc(C)o1 ZINC000597200813 398589540 /nfs/dbraw/zinc/58/95/40/398589540.db2.gz ZIYBLPPRNQMARU-XFFZJAGNSA-N 1 0 302.334 2.822 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCC[N@H+](C)C1 ZINC000092657437 398591201 /nfs/dbraw/zinc/59/12/01/398591201.db2.gz QWNADEZNYDDWCB-NSHDSACASA-N 1 0 315.320 2.727 20 5 DFBDRO Cn1cc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000590019587 398590740 /nfs/dbraw/zinc/59/07/40/398590740.db2.gz IKDFCTIRTUJLIM-UHFFFAOYSA-N 1 0 302.378 2.786 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000597207522 398590233 /nfs/dbraw/zinc/59/02/33/398590233.db2.gz YYPZBBLPJMCNBU-DUYRLRNSSA-N 1 0 304.390 2.947 20 5 DFBDRO CC(C)C[NH+]1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000042633423 398596992 /nfs/dbraw/zinc/59/69/92/398596992.db2.gz GDRXUEKOZRVYMK-UHFFFAOYSA-N 1 0 323.422 2.836 20 5 DFBDRO Cc1ccc(CNCc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593317953 398597732 /nfs/dbraw/zinc/59/77/32/398597732.db2.gz LJTGBOWYXKSFJA-UHFFFAOYSA-N 1 0 303.337 2.791 20 5 DFBDRO C[NH+](C)[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])c1ccco1 ZINC000070790435 398599339 /nfs/dbraw/zinc/59/93/39/398599339.db2.gz OMHNWDCXSSZPOS-VIFPVBQESA-N 1 0 321.362 2.612 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000590146288 398600184 /nfs/dbraw/zinc/60/01/84/398600184.db2.gz MNLAOYKWOMQVSB-BETUJISGSA-N 1 0 314.389 2.980 20 5 DFBDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597244274 398605499 /nfs/dbraw/zinc/60/54/99/398605499.db2.gz PMURYZLMCPDAPD-JOCQHMNTSA-N 1 0 306.362 2.759 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000597247380 398606657 /nfs/dbraw/zinc/60/66/57/398606657.db2.gz JFRGMBJQXHRREG-GUYJKWIASA-N 1 0 318.373 2.581 20 5 DFBDRO Cc1cc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)ccc1[N+](=O)[O-] ZINC000071038328 398608269 /nfs/dbraw/zinc/60/82/69/398608269.db2.gz HSFLBOUJYOGTLP-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000459683306 299164537 /nfs/dbraw/zinc/16/45/37/299164537.db2.gz TXYFLKQRTIJDFO-DZGCQCFKSA-N 1 0 318.373 2.604 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000043114349 398612824 /nfs/dbraw/zinc/61/28/24/398612824.db2.gz ANCQQKNCKBJYEU-UHFFFAOYSA-N 1 0 305.378 2.540 20 5 DFBDRO CC[C@H]1CCCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000150741130 186061836 /nfs/dbraw/zinc/06/18/36/186061836.db2.gz DNYLXQKIFLCXMG-AWEZNQCLSA-N 1 0 305.378 2.848 20 5 DFBDRO O=C(CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000152624109 186091232 /nfs/dbraw/zinc/09/12/32/186091232.db2.gz WWYRGWBIEJMIJW-BETUJISGSA-N 1 0 303.362 2.655 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c2c(c1)COCO2 ZINC000152631375 186091828 /nfs/dbraw/zinc/09/18/28/186091828.db2.gz KLXXKDIOBQCBBI-RYUDHWBXSA-N 1 0 304.346 2.693 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000590566860 398631870 /nfs/dbraw/zinc/63/18/70/398631870.db2.gz QOAASFFRQLSRHQ-UONOGXRCSA-N 1 0 319.405 2.685 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[N@@H+]1CCCOCC1 ZINC000590582835 398634692 /nfs/dbraw/zinc/63/46/92/398634692.db2.gz GWBACZHSMDCJJP-UHFFFAOYSA-N 1 0 315.320 2.667 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000593468376 398638310 /nfs/dbraw/zinc/63/83/10/398638310.db2.gz FKKKSSAMBQXFNB-SJKOYZFVSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1c(NC(=O)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000072795025 398638381 /nfs/dbraw/zinc/63/83/81/398638381.db2.gz ACFJQTNINUCKPP-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO Cn1cc([C@@H]2C[N@H+](Cc3cccc([N+](=O)[O-])c3)CC2(C)C)cn1 ZINC000590603364 398638787 /nfs/dbraw/zinc/63/87/87/398638787.db2.gz STSZZDPRBSZOHV-INIZCTEOSA-N 1 0 314.389 2.954 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(/C(C)=C/c2ccc([N+](=O)[O-])cc2)n1 ZINC000414645689 295811219 /nfs/dbraw/zinc/81/12/19/295811219.db2.gz OEGRMQCVBOZNTE-RJCSOLBVSA-N 1 0 302.334 2.689 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593472576 398639464 /nfs/dbraw/zinc/63/94/64/398639464.db2.gz AQSMNUNPBBEKCH-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000414653355 295812244 /nfs/dbraw/zinc/81/22/44/295812244.db2.gz FDRBBDXNYSIPQU-RYUDHWBXSA-N 1 0 306.366 2.542 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)OCCO1 ZINC000183855675 186224665 /nfs/dbraw/zinc/22/46/65/186224665.db2.gz UYZQBYCMITWZPW-CQSZACIVSA-N 1 0 306.362 2.570 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000072869689 398643854 /nfs/dbraw/zinc/64/38/54/398643854.db2.gz YEWMBXWKKSJQAK-SRVKXCTJSA-N 1 0 321.377 2.518 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000590655505 398646710 /nfs/dbraw/zinc/64/67/10/398646710.db2.gz ACZAXXGBAZWERM-ZBEGNZNMSA-N 1 0 324.377 2.517 20 5 DFBDRO COC(=O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000191829472 186260017 /nfs/dbraw/zinc/26/00/17/186260017.db2.gz FTULDJKZNFYGIE-XUJVJEKNSA-N 1 0 306.362 2.787 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189950736 186253724 /nfs/dbraw/zinc/25/37/24/186253724.db2.gz JPTPQABYMFRZOB-SWLSCSKDSA-N 1 0 308.378 2.634 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1)OCCO2 ZINC000590663618 398647834 /nfs/dbraw/zinc/64/78/34/398647834.db2.gz LBQWENCALDWFIQ-AAEUAGOBSA-N 1 0 304.346 2.502 20 5 DFBDRO CCC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CC1 ZINC000072950260 398650033 /nfs/dbraw/zinc/65/00/33/398650033.db2.gz VQSNIGQKEGSBTA-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO C[NH+](C)C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000072947599 398650069 /nfs/dbraw/zinc/65/00/69/398650069.db2.gz MLKQANMBOUJVNH-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000094121283 398653402 /nfs/dbraw/zinc/65/34/02/398653402.db2.gz FYDITKAMRDBZPA-AWEZNQCLSA-N 1 0 319.405 2.544 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590693390 398653105 /nfs/dbraw/zinc/65/31/05/398653105.db2.gz URBFFDOZKSGWDV-SMDDNHRTSA-N 1 0 300.362 2.895 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000459726523 299173721 /nfs/dbraw/zinc/17/37/21/299173721.db2.gz XUFFDXGJMYGCFM-CQSZACIVSA-N 1 0 308.378 2.865 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000171949784 198012899 /nfs/dbraw/zinc/01/28/99/198012899.db2.gz NCSFHCRWUHXSMF-GFCCVEGCSA-N 1 0 323.393 2.910 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC(C)C ZINC000172170237 198052034 /nfs/dbraw/zinc/05/20/34/198052034.db2.gz AVOQLVXEDXVVFR-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(C2(O)CC2)CC1 ZINC000593647670 398665706 /nfs/dbraw/zinc/66/57/06/398665706.db2.gz FZUPXZYOAGDSAV-HYXAFXHYSA-N 1 0 302.374 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@@H]3CC[NH2+]C3)o2)cc1 ZINC000414917685 295834706 /nfs/dbraw/zinc/83/47/06/295834706.db2.gz SFYATYMYEXSNCU-GFCCVEGCSA-N 1 0 301.346 2.554 20 5 DFBDRO CO[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000590757224 398667943 /nfs/dbraw/zinc/66/79/43/398667943.db2.gz CGEWSQFJOQSJTB-BBRMVZONSA-N 1 0 308.378 2.721 20 5 DFBDRO CC1(C)CCC[NH2+][C@H]1CNC/C=C/c1ccccc1[N+](=O)[O-] ZINC000414920889 295835366 /nfs/dbraw/zinc/83/53/66/295835366.db2.gz AKMFVMURPXJJJX-WHWKNOJMSA-N 1 0 303.406 2.976 20 5 DFBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]2COC[C@@H]21 ZINC000590765882 398669281 /nfs/dbraw/zinc/66/92/81/398669281.db2.gz CWOSLBZKMAXWRY-JKSUJKDBSA-N 1 0 320.389 2.721 20 5 DFBDRO C[C@H](CO)C1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000593677240 398669559 /nfs/dbraw/zinc/66/95/59/398669559.db2.gz VQDVPFDFRXQXQB-KXQLTZBTSA-N 1 0 304.390 2.948 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459767820 299186641 /nfs/dbraw/zinc/18/66/41/299186641.db2.gz FLDFOCGYRSWYCD-OSAQELSMSA-N 1 0 303.362 2.620 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CO)CCF ZINC000593687369 398671105 /nfs/dbraw/zinc/67/11/05/398671105.db2.gz SFLSKCWMYFSVLK-CFVMTHIKSA-N 1 0 310.369 2.616 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772495 299187915 /nfs/dbraw/zinc/18/79/15/299187915.db2.gz IBYHBIRTUYTLTA-KWCYVHTRSA-N 1 0 303.362 2.620 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459771160 299187991 /nfs/dbraw/zinc/18/79/91/299187991.db2.gz RMSAOBQCEPTHKF-UONOGXRCSA-N 1 0 312.316 2.920 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H](CO)CCF)c2ccccc2)c1 ZINC000593718747 398676253 /nfs/dbraw/zinc/67/62/53/398676253.db2.gz QXNZMYBXTITKAI-DOTOQJQBSA-N 1 0 318.348 2.994 20 5 DFBDRO COc1ccc(-c2ccc(CN[C@H](C)[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024155 295848168 /nfs/dbraw/zinc/84/81/68/295848168.db2.gz YCUGXTPVTNEKQC-GHMZBOCLSA-N 1 0 319.361 2.689 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000459787927 299193629 /nfs/dbraw/zinc/19/36/29/299193629.db2.gz QOPPVDHGDLGRSH-IDTSFGKNSA-N 1 0 303.362 2.700 20 5 DFBDRO CC(C)[C@@H]1CN(CC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000173862325 198262214 /nfs/dbraw/zinc/26/22/14/198262214.db2.gz DVTIVNWNFKPZFM-AWEZNQCLSA-N 1 0 323.418 2.607 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000173873136 198263254 /nfs/dbraw/zinc/26/32/54/198263254.db2.gz OVFQVIAZKLULAG-QGZVFWFLSA-N 1 0 317.433 2.945 20 5 DFBDRO Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000174195265 198304107 /nfs/dbraw/zinc/30/41/07/198304107.db2.gz SOZRPQPBZNFRFK-GOOCMWNKSA-N 1 0 317.389 2.648 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000174180024 198302897 /nfs/dbraw/zinc/30/28/97/198302897.db2.gz NGUKUFCVMAHDCP-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000073841374 398704442 /nfs/dbraw/zinc/70/44/42/398704442.db2.gz IICDONZUTJNNEB-UHFFFAOYSA-N 1 0 311.407 2.601 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@H]([NH+](CC)CC)C2)cc1[N+](=O)[O-] ZINC000174345058 198322445 /nfs/dbraw/zinc/32/24/45/198322445.db2.gz JNTNZKHZWFMYBV-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO CC(C)(CC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000593939562 398705927 /nfs/dbraw/zinc/70/59/27/398705927.db2.gz FMTWXARPEYOHSZ-UHFFFAOYSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000046374643 398705529 /nfs/dbraw/zinc/70/55/29/398705529.db2.gz ATEMJHHPZOGRHW-GFCCVEGCSA-N 1 0 306.366 2.591 20 5 DFBDRO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000597861716 398706384 /nfs/dbraw/zinc/70/63/84/398706384.db2.gz WAVBPMAXFRETMD-SWLSCSKDSA-N 1 0 319.405 2.687 20 5 DFBDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000174858114 198393713 /nfs/dbraw/zinc/39/37/13/198393713.db2.gz SDDMAEKXWXTLHE-ZDUSSCGKSA-N 1 0 321.406 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCCC[C@@H]2C2(O)CC2)cc1 ZINC000590968924 398710353 /nfs/dbraw/zinc/71/03/53/398710353.db2.gz OZQZQJHMDQRTHO-MRXNPFEDSA-N 1 0 320.389 2.743 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3Cl)C2)cn1 ZINC000182177812 199398474 /nfs/dbraw/zinc/39/84/74/199398474.db2.gz VGUFKEDIRBYKMM-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000590970317 398711254 /nfs/dbraw/zinc/71/12/54/398711254.db2.gz QKBBCOACKVWRRT-JKSUJKDBSA-N 1 0 302.374 2.904 20 5 DFBDRO C[C@H]1CC[N@H+](CCn2ccc([N+](=O)[O-])n2)[C@H](c2ccco2)C1 ZINC000176287132 198569083 /nfs/dbraw/zinc/56/90/83/198569083.db2.gz WOQQGEOJSXOIIJ-STQMWFEESA-N 1 0 304.350 2.858 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000415291155 295875450 /nfs/dbraw/zinc/87/54/50/295875450.db2.gz FNLONRJAMVSSAC-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062119 398720591 /nfs/dbraw/zinc/72/05/91/398720591.db2.gz WHWMTHRLOSPHHV-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1c(C)ccc([N+](=O)[O-])c1C ZINC000415308282 295876317 /nfs/dbraw/zinc/87/63/17/295876317.db2.gz ZPHYWKKFKGLQQN-GFCCVEGCSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415293965 295875682 /nfs/dbraw/zinc/87/56/82/295875682.db2.gz JWMUKBCUMPWMAR-BDJLRTHQSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597922922 398722001 /nfs/dbraw/zinc/72/20/01/398722001.db2.gz GYFXXSDAOTUHNW-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@H]3CCOC3)CC2)cc1 ZINC000332363400 234855787 /nfs/dbraw/zinc/85/57/87/234855787.db2.gz YAFYQELRKSCBKH-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000415506742 295888520 /nfs/dbraw/zinc/88/85/20/295888520.db2.gz RWCZTUDBXKMSPH-OAHLLOKOSA-N 1 0 308.382 2.788 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415579035 295891803 /nfs/dbraw/zinc/89/18/03/295891803.db2.gz JOTOCLOBLCFGDK-FUNVUKJBSA-N 1 0 318.377 2.616 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046990010 398729533 /nfs/dbraw/zinc/72/95/33/398729533.db2.gz BGNRSSUILNOSKP-CQSZACIVSA-N 1 0 319.405 2.979 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000594050229 398731990 /nfs/dbraw/zinc/73/19/90/398731990.db2.gz CBNCFNFBGANIBU-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000594053718 398732714 /nfs/dbraw/zinc/73/27/14/398732714.db2.gz OZLLLKPPUHGFLG-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597993372 398735185 /nfs/dbraw/zinc/73/51/85/398735185.db2.gz SJYZJZGBCKIFLC-HIFRSBDPSA-N 1 0 321.421 2.620 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000073656689 191338481 /nfs/dbraw/zinc/33/84/81/191338481.db2.gz NNLGXXUKNNYDOH-LBPRGKRZSA-N 1 0 306.366 2.591 20 5 DFBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000074320007 398739544 /nfs/dbraw/zinc/73/95/44/398739544.db2.gz HAQGGMVLGAPPEQ-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000047253521 398741259 /nfs/dbraw/zinc/74/12/59/398741259.db2.gz WBTBGIZJMODRIL-UMVBOHGHSA-N 1 0 304.394 2.831 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075497385 191480118 /nfs/dbraw/zinc/48/01/18/191480118.db2.gz SAVMHLJFLDVBKE-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CNC[C@@H]3C[C@H](F)C[NH2+]3)o2)c1 ZINC000591281899 398745574 /nfs/dbraw/zinc/74/55/74/398745574.db2.gz UDDMVNPMCJFPGG-STQMWFEESA-N 1 0 319.336 2.644 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000591349007 398751583 /nfs/dbraw/zinc/75/15/83/398751583.db2.gz HFCISBPMRRZZTJ-VXGBXAGGSA-N 1 0 313.348 2.893 20 5 DFBDRO Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591439043 398761109 /nfs/dbraw/zinc/76/11/09/398761109.db2.gz REWDACAZWUVBHU-JSGCOSHPSA-N 1 0 312.373 2.640 20 5 DFBDRO Cc1cnc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000591442972 398761725 /nfs/dbraw/zinc/76/17/25/398761725.db2.gz VSBQNDUYZRYFCF-KGLIPLIRSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591443031 398762040 /nfs/dbraw/zinc/76/20/40/398762040.db2.gz WUMHLNNSMZTQHV-NEPJUHHUSA-N 1 0 324.812 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]C3)CC2)c2ccncc21 ZINC000591443039 398762191 /nfs/dbraw/zinc/76/21/91/398762191.db2.gz WVPSCJVJUGEGCR-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000591446982 398762754 /nfs/dbraw/zinc/76/27/54/398762754.db2.gz GROSMZYKASDHLG-ZBFHGGJFSA-N 1 0 307.369 2.840 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591443032 398762406 /nfs/dbraw/zinc/76/24/06/398762406.db2.gz WUMHLNNSMZTQHV-NWDGAFQWSA-N 1 0 324.812 2.859 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000081363227 192257186 /nfs/dbraw/zinc/25/71/86/192257186.db2.gz AHSPGRCBTZIMED-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000081361956 192257204 /nfs/dbraw/zinc/25/72/04/192257204.db2.gz MDQKJUDRXOLIJW-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598219429 398773443 /nfs/dbraw/zinc/77/34/43/398773443.db2.gz LUBATSUQPMYJRV-LLVKDONJSA-N 1 0 323.418 2.793 20 5 DFBDRO CCCN(C(=O)c1cc([N+](=O)[O-])ccc1C)C1CC[NH2+]CC1 ZINC000236835447 202030621 /nfs/dbraw/zinc/03/06/21/202030621.db2.gz RUFTVMNYULSERW-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCO[C@H]1c1cc[nH]n1 ZINC000591646707 398778829 /nfs/dbraw/zinc/77/88/29/398778829.db2.gz MZHSIEVAXQTIFL-XJKSGUPXSA-N 1 0 316.361 2.575 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598265933 398780832 /nfs/dbraw/zinc/78/08/32/398780832.db2.gz WFGOKHNOWWCOIX-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000591728265 398782502 /nfs/dbraw/zinc/78/25/02/398782502.db2.gz FMEZCNMDTDELDS-GUYCJALGSA-N 1 0 300.358 2.849 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(O)CCC2)cc(C(F)(F)F)c1 ZINC000591764812 398785368 /nfs/dbraw/zinc/78/53/68/398785368.db2.gz KKDCHRMDNFJVBO-UHFFFAOYSA-N 1 0 304.268 2.618 20 5 DFBDRO CC[C@@H](C)[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000591769571 398786209 /nfs/dbraw/zinc/78/62/09/398786209.db2.gz YCZCFNRLADDPNZ-IUODEOHRSA-N 1 0 323.393 2.574 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000594389984 398791314 /nfs/dbraw/zinc/79/13/14/398791314.db2.gz QFASKJGDEZFVMP-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000594390627 398791353 /nfs/dbraw/zinc/79/13/53/398791353.db2.gz YGLLLHQVWWWRAK-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000591829858 398793004 /nfs/dbraw/zinc/79/30/04/398793004.db2.gz AUKPRWLQCIIBNW-DOTOQJQBSA-N 1 0 324.384 2.701 20 5 DFBDRO CCOC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000237158083 202170045 /nfs/dbraw/zinc/17/00/45/202170045.db2.gz MLLLIQLCDFPKJG-UHFFFAOYSA-N 1 0 306.362 2.806 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276848423 213131944 /nfs/dbraw/zinc/13/19/44/213131944.db2.gz DDEHDESGAGSBJU-GDBMZVCRSA-N 1 0 322.405 2.976 20 5 DFBDRO CSCC[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000151129855 283277039 /nfs/dbraw/zinc/27/70/39/283277039.db2.gz ABBJTFVZPAFZHW-UHFFFAOYSA-N 1 0 311.407 2.527 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267424345 283285341 /nfs/dbraw/zinc/28/53/41/283285341.db2.gz LGIWSJHWQJYSKQ-XGNXJENSSA-N 1 0 305.378 2.550 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179465182 199040755 /nfs/dbraw/zinc/04/07/55/199040755.db2.gz MQQUHVURSUTGAN-YFCVBGDOSA-N 1 0 313.361 2.537 20 5 DFBDRO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000051058601 398816162 /nfs/dbraw/zinc/81/61/62/398816162.db2.gz SQIKGOXDOSOKBE-OAHLLOKOSA-N 1 0 319.405 2.723 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000594546505 398818872 /nfs/dbraw/zinc/81/88/72/398818872.db2.gz MWTSDLIWDSXSNS-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594596982 398827659 /nfs/dbraw/zinc/82/76/59/398827659.db2.gz BTIWZXZDVJEGSR-CHWSQXEVSA-N 1 0 307.398 2.548 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000594590804 398825533 /nfs/dbraw/zinc/82/55/33/398825533.db2.gz CCYWBAXVMVLESS-BJHJDKERSA-N 1 0 321.377 2.524 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2ccncc21 ZINC000051917435 398828422 /nfs/dbraw/zinc/82/84/22/398828422.db2.gz UMIHIKRRCJXPNI-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000052131345 398833351 /nfs/dbraw/zinc/83/33/51/398833351.db2.gz RMNBZMVAJYOUEY-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598572008 398833382 /nfs/dbraw/zinc/83/33/82/398833382.db2.gz JWOGHVRDHANICR-AWEZNQCLSA-N 1 0 319.405 2.590 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H](O)C[NH+]2CCCCC2)c(Cl)c1 ZINC000052131344 398833450 /nfs/dbraw/zinc/83/34/50/398833450.db2.gz RMNBZMVAJYOUEY-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598561438 398832133 /nfs/dbraw/zinc/83/21/33/398832133.db2.gz QYCDDQMCOIAUFI-GFCCVEGCSA-N 1 0 323.418 2.508 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594695906 398843968 /nfs/dbraw/zinc/84/39/68/398843968.db2.gz FENJJNSFEPRNKA-LBPRGKRZSA-N 1 0 324.812 2.859 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000594693902 398844029 /nfs/dbraw/zinc/84/40/29/398844029.db2.gz YDGQLFXVYDAECL-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000594710204 398846675 /nfs/dbraw/zinc/84/66/75/398846675.db2.gz JKICKNBJUUHFBZ-BLLLJJGKSA-N 1 0 308.378 2.687 20 5 DFBDRO CC[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000598663383 398850340 /nfs/dbraw/zinc/85/03/40/398850340.db2.gz BQPQNAMYWDKOES-CJNGLKHVSA-N 1 0 319.405 2.942 20 5 DFBDRO CC(C)CN(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000180422665 199157232 /nfs/dbraw/zinc/15/72/32/199157232.db2.gz VUXPBWGKGWPVSI-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO CCc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000276663617 213031703 /nfs/dbraw/zinc/03/17/03/213031703.db2.gz SCOGUHBYIRDIAC-KRWDZBQOSA-N 1 0 300.358 2.980 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000276661334 213030338 /nfs/dbraw/zinc/03/03/38/213030338.db2.gz RVVFAZKBIPDEKU-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000053153104 398864307 /nfs/dbraw/zinc/86/43/07/398864307.db2.gz OEFHNXAKBPEZFI-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NCCCC[NH+]1CCOCC1 ZINC000076801481 398870914 /nfs/dbraw/zinc/87/09/14/398870914.db2.gz PGMYYVLMQMAUJA-UHFFFAOYSA-N 1 0 313.785 2.773 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnn3c2CCC3)cc1[N+](=O)[O-] ZINC000594935825 398876484 /nfs/dbraw/zinc/87/64/84/398876484.db2.gz HQLVMEXAPJMIQB-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000594952008 398880352 /nfs/dbraw/zinc/88/03/52/398880352.db2.gz PEJJTMVSYZGBLN-PBHICJAKSA-N 1 0 322.405 2.859 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000594970861 398884192 /nfs/dbraw/zinc/88/41/92/398884192.db2.gz OIOVBPJLMCABER-ZDUSSCGKSA-N 1 0 316.304 2.507 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000053898862 398884250 /nfs/dbraw/zinc/88/42/50/398884250.db2.gz XKHDWNKUIWPEDX-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053778427 398881950 /nfs/dbraw/zinc/88/19/50/398881950.db2.gz RRBBOPCEDDKHNK-AWEZNQCLSA-N 1 0 317.389 2.748 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000594979071 398885346 /nfs/dbraw/zinc/88/53/46/398885346.db2.gz HRXUZEYJXOJZDE-NVXWUHKLSA-N 1 0 314.389 2.829 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)c(F)c1 ZINC000594999687 398888510 /nfs/dbraw/zinc/88/85/10/398888510.db2.gz GOLFKOWHCIQOGY-UHFFFAOYSA-N 1 0 318.295 2.764 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCN1CCCCC1 ZINC000595003004 398889386 /nfs/dbraw/zinc/88/93/86/398889386.db2.gz AVVQGTCBASEOTA-ZDUSSCGKSA-N 1 0 307.394 2.740 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000595006418 398890084 /nfs/dbraw/zinc/89/00/84/398890084.db2.gz JRDQECGVGWSIAZ-LBPRGKRZSA-N 1 0 309.410 2.842 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000140421010 398890280 /nfs/dbraw/zinc/89/02/80/398890280.db2.gz JIOOPDFUWRRTCS-OAHLLOKOSA-N 1 0 305.378 2.962 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cn1ccnc1 ZINC000595005570 398889996 /nfs/dbraw/zinc/88/99/96/398889996.db2.gz ASQNVXFUPRCARC-NEPJUHHUSA-N 1 0 304.350 2.539 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000595008291 398891232 /nfs/dbraw/zinc/89/12/32/398891232.db2.gz DCYFRMOOXYJXAN-BFHYXJOUSA-N 1 0 319.405 2.881 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000595015492 398891569 /nfs/dbraw/zinc/89/15/69/398891569.db2.gz OIWOGDUORVPQMI-SNVBAGLBSA-N 1 0 302.371 2.784 20 5 DFBDRO C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000173437322 283388602 /nfs/dbraw/zinc/38/86/02/283388602.db2.gz JXQOZGPLJSBWFJ-KGLIPLIRSA-N 1 0 308.378 2.689 20 5 DFBDRO [NH3+][C@H]1C[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C12CCC2 ZINC000598913897 398892096 /nfs/dbraw/zinc/89/20/96/398892096.db2.gz RUKWOYRLNFZRMR-NWDGAFQWSA-N 1 0 324.768 2.640 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598912947 398892379 /nfs/dbraw/zinc/89/23/79/398892379.db2.gz DBKQDFRWECCNJC-GZMMTYOYSA-N 1 0 312.757 2.510 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000595017266 398892396 /nfs/dbraw/zinc/89/23/96/398892396.db2.gz LFMZACRTQUEFHD-UONOGXRCSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H](C1CC1)[NH+](C)C ZINC000595016291 398892410 /nfs/dbraw/zinc/89/24/10/398892410.db2.gz KBWAVNMPQHGQPP-IAQYHMDHSA-N 1 0 307.394 2.594 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015743 398891796 /nfs/dbraw/zinc/89/17/96/398891796.db2.gz GNFKGGJDGSKYPU-ZIAGYGMSSA-N 1 0 321.421 2.986 20 5 DFBDRO CCc1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000174016729 283393779 /nfs/dbraw/zinc/39/37/79/283393779.db2.gz OOKVZIPUHROAIB-UHFFFAOYSA-N 1 0 319.405 2.763 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000140865009 398892619 /nfs/dbraw/zinc/89/26/19/398892619.db2.gz ZAZPIOSDDYPNSR-UHFFFAOYSA-N 1 0 315.320 2.727 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000595018321 398892767 /nfs/dbraw/zinc/89/27/67/398892767.db2.gz MINFGGKEFRNAKU-AVGNSLFASA-N 1 0 319.405 2.879 20 5 DFBDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914134 398892831 /nfs/dbraw/zinc/89/28/31/398892831.db2.gz ZLKBLQNECVCXKG-LLVKDONJSA-N 1 0 312.757 2.510 20 5 DFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915506 398892887 /nfs/dbraw/zinc/89/28/87/398892887.db2.gz NGMQGIFAUDMKET-RKDXNWHRSA-N 1 0 312.757 2.592 20 5 DFBDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598915961 398892964 /nfs/dbraw/zinc/89/29/64/398892964.db2.gz RMXLPSAQOWJSHH-LKFCYVNXSA-N 1 0 324.768 2.593 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595024983 398893804 /nfs/dbraw/zinc/89/38/04/398893804.db2.gz IQRHGFWLABZZBJ-FRRDWIJNSA-N 1 0 307.394 2.737 20 5 DFBDRO [NH3+]C1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000178501826 283412446 /nfs/dbraw/zinc/41/24/46/283412446.db2.gz YFWDCSFBSLXOSF-UHFFFAOYSA-N 1 0 319.386 2.809 20 5 DFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054286985 398894603 /nfs/dbraw/zinc/89/46/03/398894603.db2.gz WELQYGVGUSLKRG-CYBMUJFWSA-N 1 0 319.405 2.835 20 5 DFBDRO COC[C@@H](CC1CCOCC1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000595035957 398895985 /nfs/dbraw/zinc/89/59/85/398895985.db2.gz NWVRJHOIAIUYEP-MRXNPFEDSA-N 1 0 322.405 2.559 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280850587 215916840 /nfs/dbraw/zinc/91/68/40/215916840.db2.gz BNJJIMZDHTWCTI-TZMCWYRMSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCC(F)F ZINC000595043444 398896257 /nfs/dbraw/zinc/89/62/57/398896257.db2.gz YIILFJXBMQZMRK-SECBINFHSA-N 1 0 304.293 2.536 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H](C)C[N@H+](C)C(C)C ZINC000595046536 398897164 /nfs/dbraw/zinc/89/71/64/398897164.db2.gz AIDWWIANQBSRRX-OLZOCXBDSA-N 1 0 309.410 2.983 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(CO)CCC1 ZINC000595044546 398897448 /nfs/dbraw/zinc/89/74/48/398897448.db2.gz BNOFHXWVPCTUQW-LBPRGKRZSA-N 1 0 308.378 2.807 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000595050012 398897900 /nfs/dbraw/zinc/89/79/00/398897900.db2.gz LJQMABLAXHOIIJ-KCPJHIHWSA-N 1 0 308.378 2.948 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000595052280 398898219 /nfs/dbraw/zinc/89/82/19/398898219.db2.gz WQTOJUPUHIYCDJ-AGIUHOORSA-N 1 0 308.378 2.927 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000595049975 398898248 /nfs/dbraw/zinc/89/82/48/398898248.db2.gz DPXFQAPUWHZELE-VXGBXAGGSA-N 1 0 318.377 2.619 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595056334 398898988 /nfs/dbraw/zinc/89/89/88/398898988.db2.gz FHBZCWJZXVSIID-RISCZKNCSA-N 1 0 308.378 2.805 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000595074158 398902546 /nfs/dbraw/zinc/90/25/46/398902546.db2.gz UHNJUNICTNHBNQ-CJNGLKHVSA-N 1 0 322.405 2.995 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccoc2)n1 ZINC000595092499 398903778 /nfs/dbraw/zinc/90/37/78/398903778.db2.gz YAGNOYAHMGSXFI-KGLIPLIRSA-N 1 0 304.350 2.700 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)C1CC1 ZINC000595090794 398904071 /nfs/dbraw/zinc/90/40/71/398904071.db2.gz RBXQBODBTOPWDT-WMLDXEAASA-N 1 0 318.417 2.914 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000598989439 398904444 /nfs/dbraw/zinc/90/44/44/398904444.db2.gz INIZJDQVBKGWKN-GFCCVEGCSA-N 1 0 314.267 2.685 20 5 DFBDRO CCCN1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094129 398904624 /nfs/dbraw/zinc/90/46/24/398904624.db2.gz DOENBEARLUDXNF-DLBZAZTESA-N 1 0 317.433 2.990 20 5 DFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000182958858 283453998 /nfs/dbraw/zinc/45/39/98/283453998.db2.gz FLSUPDUPWMTUST-STQMWFEESA-N 1 0 319.405 2.972 20 5 DFBDRO COC(=O)C1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000470177764 299293578 /nfs/dbraw/zinc/29/35/78/299293578.db2.gz FUOLRAJFXCWLMA-JLHYYAGUSA-N 1 0 318.373 2.883 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000470179545 299293631 /nfs/dbraw/zinc/29/36/31/299293631.db2.gz YXDJBCAEEOYJLW-IEVHZMJVSA-N 1 0 301.390 2.682 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595233460 398911634 /nfs/dbraw/zinc/91/16/34/398911634.db2.gz NVBMMBQASAJXEB-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO CC[C@]1(CO)CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000187553135 200127362 /nfs/dbraw/zinc/12/73/62/200127362.db2.gz VKHPFTCGKAHSFP-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])ccc1[N+](=O)[O-] ZINC000595258142 398913648 /nfs/dbraw/zinc/91/36/48/398913648.db2.gz LKKWPQBBBMJWIW-IUODEOHRSA-N 1 0 319.405 2.883 20 5 DFBDRO CN(C[C@@H]1CCC[C@@H]1O)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058271 398914381 /nfs/dbraw/zinc/91/43/81/398914381.db2.gz GUCBSHRSJKCLBT-WFASDCNBSA-N 1 0 301.346 2.740 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595309929 398921100 /nfs/dbraw/zinc/92/11/00/398921100.db2.gz ZVQLXJOAPYQEMA-SNVBAGLBSA-N 1 0 310.325 2.507 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312269 398921112 /nfs/dbraw/zinc/92/11/12/398921112.db2.gz SEKPEEXAWOXKGS-GJZGRUSLSA-N 1 0 307.369 2.793 20 5 DFBDRO CCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000595326310 398923010 /nfs/dbraw/zinc/92/30/10/398923010.db2.gz BBAODBINDCRIBR-KCPJHIHWSA-N 1 0 323.393 2.917 20 5 DFBDRO Cn1cc(C[C@@H]2CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)cn1 ZINC000595336933 398923708 /nfs/dbraw/zinc/92/37/08/398923708.db2.gz IOYQMYFPCIWGNQ-LBPRGKRZSA-N 1 0 318.352 2.532 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cccc1[N+](=O)[O-] ZINC000237824205 202364270 /nfs/dbraw/zinc/36/42/70/202364270.db2.gz FCSVMQNRYCSTBN-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO CCO[C@@H]1C[C@H](N(C)Cc2onc(C)c2[N+](=O)[O-])C12CCC2 ZINC000595344377 398925157 /nfs/dbraw/zinc/92/51/57/398925157.db2.gz CZDQPIGFZWPWKR-QWHCGFSZSA-N 1 0 309.366 2.671 20 5 DFBDRO [NH3+]C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000237901643 202384887 /nfs/dbraw/zinc/38/48/87/202384887.db2.gz LMYQRUDBLFDIST-NKSUMMKUSA-N 1 0 317.389 2.632 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000237851140 202370304 /nfs/dbraw/zinc/37/03/04/202370304.db2.gz HXFUTJGQWXHBST-LLVKDONJSA-N 1 0 317.311 2.569 20 5 DFBDRO CCOC1CC(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])C1 ZINC000188790469 200304146 /nfs/dbraw/zinc/30/41/46/200304146.db2.gz KGAYVJOPIPRAFS-UHFFFAOYSA-N 1 0 324.377 2.604 20 5 DFBDRO Cn1nccc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308938 296008831 /nfs/dbraw/zinc/00/88/31/296008831.db2.gz FZQYRPHXYWBJBD-INIZCTEOSA-N 1 0 300.362 2.886 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000055405431 398929567 /nfs/dbraw/zinc/92/95/67/398929567.db2.gz WEPKIIIZWZYBIQ-GHMZBOCLSA-N 1 0 311.407 2.507 20 5 DFBDRO Cc1noc(C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595373962 398928976 /nfs/dbraw/zinc/92/89/76/398928976.db2.gz UHWLDNIGGSYFMU-BMIGLBTASA-N 1 0 311.382 2.558 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CCCC2 ZINC000417311453 296009130 /nfs/dbraw/zinc/00/91/30/296009130.db2.gz LWEKNFWBOXAFKW-DXCKQFNASA-N 1 0 302.374 2.889 20 5 DFBDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314464 296009268 /nfs/dbraw/zinc/00/92/68/296009268.db2.gz ZBZFWCNCJLILFX-OAHLLOKOSA-N 1 0 319.405 2.724 20 5 DFBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797348 299305966 /nfs/dbraw/zinc/30/59/66/299305966.db2.gz HZFYHDZHATWBKP-SMDDNHRTSA-N 1 0 302.330 2.810 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164699 398932383 /nfs/dbraw/zinc/93/23/83/398932383.db2.gz KAEAGHALIGNYAR-ZDUSSCGKSA-N 1 0 307.398 2.548 20 5 DFBDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803957 299306762 /nfs/dbraw/zinc/30/67/62/299306762.db2.gz KHBXQMUKUDQQHN-NWDGAFQWSA-N 1 0 302.330 2.810 20 5 DFBDRO Cc1n[nH]c(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417346345 296012278 /nfs/dbraw/zinc/01/22/78/296012278.db2.gz UJHDKVNUUYWVTG-HNNXBMFYSA-N 1 0 315.377 2.621 20 5 DFBDRO CC[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599178093 398935164 /nfs/dbraw/zinc/93/51/64/398935164.db2.gz ABIQEBWTKCXOLQ-WCQYABFASA-N 1 0 300.362 2.720 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000417381249 296015218 /nfs/dbraw/zinc/01/52/18/296015218.db2.gz MBHZUPSDVYIOEI-ZDUSSCGKSA-N 1 0 322.405 2.813 20 5 DFBDRO NC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417368843 296014461 /nfs/dbraw/zinc/01/44/61/296014461.db2.gz OVOWHDKPOLRHTQ-DVOMOZLQSA-N 1 0 317.389 2.606 20 5 DFBDRO CCC1([NH+]2CCOCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000599187215 398936922 /nfs/dbraw/zinc/93/69/22/398936922.db2.gz NTIUODWUNFDYIF-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1[N+](=O)[O-] ZINC000595470523 398945075 /nfs/dbraw/zinc/94/50/75/398945075.db2.gz ONNWDGHFNOETBX-DEQVHRJGSA-N 1 0 323.393 2.653 20 5 DFBDRO CCc1nnc([C@H](C)N(C)CCc2cccc([N+](=O)[O-])c2)[nH]1 ZINC000595477427 398946272 /nfs/dbraw/zinc/94/62/72/398946272.db2.gz SQMWUCFZTQLRDW-NSHDSACASA-N 1 0 303.366 2.511 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(=O)NC2CC2)CC1 ZINC000055914065 398948219 /nfs/dbraw/zinc/94/82/19/398948219.db2.gz VGMQFWQHJLQSDC-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO C[C@@]1(CCCO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000272018045 209387401 /nfs/dbraw/zinc/38/74/01/209387401.db2.gz LZHUGYFVPMSTIR-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000157590743 398954752 /nfs/dbraw/zinc/95/47/52/398954752.db2.gz ZKCFCDGVXGQPPB-GHMZBOCLSA-N 1 0 321.377 2.709 20 5 DFBDRO CN(C)C(=O)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000595513456 398954900 /nfs/dbraw/zinc/95/49/00/398954900.db2.gz DSCRMJZTSCPWRC-UHFFFAOYSA-N 1 0 323.368 2.615 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C)C[NH+](CC)CC)cc1[N+](=O)[O-] ZINC000471962802 299317318 /nfs/dbraw/zinc/31/73/18/299317318.db2.gz BQPYCFUSFOZNNL-LBPRGKRZSA-N 1 0 307.394 2.617 20 5 DFBDRO C[C@@H]1C[NH+](CCCNc2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000078504986 398961850 /nfs/dbraw/zinc/96/18/50/398961850.db2.gz ZGONFIUBMJRJAR-VXGBXAGGSA-N 1 0 311.357 2.645 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000078563208 398967113 /nfs/dbraw/zinc/96/71/13/398967113.db2.gz ZHOSTIXJOJERFD-CQSZACIVSA-N 1 0 319.405 2.966 20 5 DFBDRO CSCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281501963 216344326 /nfs/dbraw/zinc/34/43/26/216344326.db2.gz UKQGVBRIJFTSCI-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)[C@H](CO)Cc1ccccc1 ZINC000595593949 398989700 /nfs/dbraw/zinc/98/97/00/398989700.db2.gz BXWDNLIXIQANFW-INIZCTEOSA-N 1 0 318.348 2.769 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000195163697 201350310 /nfs/dbraw/zinc/35/03/10/201350310.db2.gz VDACQBKEQRBXNK-DOMZBBRYSA-N 1 0 317.389 2.652 20 5 DFBDRO O=C(OCc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C2CC2)CC1 ZINC000195277546 201371182 /nfs/dbraw/zinc/37/11/82/201371182.db2.gz RXZHXFUYEXLMEM-UHFFFAOYSA-N 1 0 304.346 2.512 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCNC(=O)C(C)C)cc1[N+](=O)[O-] ZINC000090880694 192940091 /nfs/dbraw/zinc/94/00/91/192940091.db2.gz RGIDPTQWECSTMR-ZDUSSCGKSA-N 1 0 307.394 2.716 20 5 DFBDRO CC[C@H](NC(=O)NC1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000417844927 296057365 /nfs/dbraw/zinc/05/73/65/296057365.db2.gz HWVILYFKNRMNKQ-PIMMBPRGSA-N 1 0 320.393 2.615 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246932360 202630314 /nfs/dbraw/zinc/63/03/14/202630314.db2.gz XBLAWABBXXSSKU-KBPBESRZSA-N 1 0 322.409 2.539 20 5 DFBDRO COC[C@@]1(C)CN(C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCO1 ZINC000600217278 399009645 /nfs/dbraw/zinc/00/96/45/399009645.db2.gz HAXWBNCUKNNVTL-RKCSUWQLSA-N 1 0 320.389 2.735 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678652 399031141 /nfs/dbraw/zinc/03/11/41/399031141.db2.gz SEBVXQMXZMAMKS-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599617161 399030696 /nfs/dbraw/zinc/03/06/96/399030696.db2.gz FUVWYZPQIUMHME-UHFFFAOYSA-N 1 0 310.357 2.821 20 5 DFBDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000418114011 296079309 /nfs/dbraw/zinc/07/93/09/296079309.db2.gz NCWQMVASNKMBOF-DRQUAOQDSA-N 1 0 302.330 2.858 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000091917337 193125574 /nfs/dbraw/zinc/12/55/74/193125574.db2.gz CHRMJGJJTVTYQA-NEPJUHHUSA-N 1 0 306.366 2.507 20 5 DFBDRO C[C@@H](c1ccncc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000091988923 193137255 /nfs/dbraw/zinc/13/72/55/193137255.db2.gz BFHUTEXATIYFBL-LRDDRELGSA-N 1 0 301.346 2.716 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[C@@H]21 ZINC000599648541 399043210 /nfs/dbraw/zinc/04/32/10/399043210.db2.gz AAPIJKLJZDPKTQ-BZUAXINKSA-N 1 0 318.373 2.758 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000171298908 399045203 /nfs/dbraw/zinc/04/52/03/399045203.db2.gz GQECSPGFYXBJOR-NSHDSACASA-N 1 0 306.362 2.677 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000618197188 399041572 /nfs/dbraw/zinc/04/15/72/399041572.db2.gz YDCFYBYPACQPFC-PKXJPQMGSA-N 1 0 312.373 2.657 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600473137 399058969 /nfs/dbraw/zinc/05/89/69/399058969.db2.gz ROJNFMSAFMQLPJ-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000271778072 209205974 /nfs/dbraw/zinc/20/59/74/209205974.db2.gz OSGPVHBMNFRZJU-AWEZNQCLSA-N 1 0 315.373 2.724 20 5 DFBDRO COC(=O)C1C[C@@H](C)[NH+](Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000599705073 399071330 /nfs/dbraw/zinc/07/13/30/399071330.db2.gz GVRYHCACOJRDNS-VXGBXAGGSA-N 1 0 306.362 2.757 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000595765610 399075339 /nfs/dbraw/zinc/07/53/39/399075339.db2.gz MFLHRODDSOHFDY-CYBMUJFWSA-N 1 0 302.334 2.923 20 5 DFBDRO CC[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC000595765811 399075828 /nfs/dbraw/zinc/07/58/28/399075828.db2.gz OZERTWWGEAXWJQ-ZDUSSCGKSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H](CCCC[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418677312 296108823 /nfs/dbraw/zinc/10/88/23/296108823.db2.gz UEOQIZRPVXLGFQ-LBPRGKRZSA-N 1 0 322.409 2.647 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288181976 220002089 /nfs/dbraw/zinc/00/20/89/220002089.db2.gz BOPXPCRTMZSFSL-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])c(CO)c1)Cc1ccccc1 ZINC000418965944 296122171 /nfs/dbraw/zinc/12/21/71/296122171.db2.gz VETPPVCVFWDEHG-UHFFFAOYSA-N 1 0 316.357 2.598 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058936055 399102531 /nfs/dbraw/zinc/10/25/31/399102531.db2.gz NETSYAZGXRTXSU-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO CC[C@@H](NC(=O)CC[C@@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000261870492 203139679 /nfs/dbraw/zinc/13/96/79/203139679.db2.gz QLYSOWBPBULATO-IUODEOHRSA-N 1 0 305.378 2.552 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000419339526 296135952 /nfs/dbraw/zinc/13/59/52/296135952.db2.gz UQCWQSNJKRXCCO-LSDHHAIUSA-N 1 0 321.421 2.903 20 5 DFBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000419353069 296136292 /nfs/dbraw/zinc/13/62/92/296136292.db2.gz KSHFXUROMQMXKX-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419371989 296137334 /nfs/dbraw/zinc/13/73/34/296137334.db2.gz LWXVIXNLLXRIQK-FDYHWXHSSA-N 1 0 305.378 2.898 20 5 DFBDRO C[C@H]1[C@@H](C)[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000419375460 296137670 /nfs/dbraw/zinc/13/76/70/296137670.db2.gz RNFLXUDVJXLQJT-BRXULGCHSA-N 1 0 317.389 2.676 20 5 DFBDRO C[C@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000262509306 203312808 /nfs/dbraw/zinc/31/28/08/203312808.db2.gz MULAEXHKTRUVLS-NJZAAPMLSA-N 1 0 305.378 2.680 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712778 399120799 /nfs/dbraw/zinc/12/07/99/399120799.db2.gz YPQCHKKIJYEFAP-WBVHZDCISA-N 1 0 315.417 2.790 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708256 399120857 /nfs/dbraw/zinc/12/08/57/399120857.db2.gz DUZLIRXBLCFAFD-DYEKYZERSA-N 1 0 307.394 2.785 20 5 DFBDRO COCCOC[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093754324 193299290 /nfs/dbraw/zinc/29/92/90/193299290.db2.gz BWDQDOZLTKKTLJ-DRDHIDPGSA-N 1 0 320.389 2.593 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600725308 399125675 /nfs/dbraw/zinc/12/56/75/399125675.db2.gz ISSMOKNGXCRGQV-VXGBXAGGSA-N 1 0 317.311 2.554 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906614 399130554 /nfs/dbraw/zinc/13/05/54/399130554.db2.gz MBUBPCZSMPXRIH-HUUCEWRRSA-N 1 0 321.421 2.698 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000600754831 399136378 /nfs/dbraw/zinc/13/63/78/399136378.db2.gz CMFQGTZURQURSH-CABCVRRESA-N 1 0 320.389 2.671 20 5 DFBDRO C[C@H](Nc1nccc2c1cccc2[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000420165449 296160103 /nfs/dbraw/zinc/16/01/03/296160103.db2.gz NCYKGXUYZHAMFQ-NWDGAFQWSA-N 1 0 300.362 2.943 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[NH2+]C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420164354 296160182 /nfs/dbraw/zinc/16/01/82/296160182.db2.gz GIVLXQNNACWWJH-LBPRGKRZSA-N 1 0 300.362 2.863 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000600772440 399140647 /nfs/dbraw/zinc/14/06/47/399140647.db2.gz JOXZRSUKSLINRD-GASCZTMLSA-N 1 0 309.797 2.680 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000595947217 399141079 /nfs/dbraw/zinc/14/10/79/399141079.db2.gz HSFVSWBAYOZKEW-CQSZACIVSA-N 1 0 307.394 2.821 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000420203347 296162350 /nfs/dbraw/zinc/16/23/50/296162350.db2.gz OEBQMLHNYOQXEW-LLVKDONJSA-N 1 0 316.336 2.594 20 5 DFBDRO [NH3+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420201126 296162029 /nfs/dbraw/zinc/16/20/29/296162029.db2.gz NTFTYOUCWCOKBU-CYBMUJFWSA-N 1 0 316.336 2.723 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420212700 296162767 /nfs/dbraw/zinc/16/27/67/296162767.db2.gz XQCOMHZLXCHNSL-OAHLLOKOSA-N 1 0 302.378 2.953 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000595967498 399142413 /nfs/dbraw/zinc/14/24/13/399142413.db2.gz UHCUORGFSKKZMB-UHFFFAOYSA-N 1 0 319.405 2.894 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc2c(c1)C[NH2+]C2 ZINC000420232331 296164120 /nfs/dbraw/zinc/16/41/20/296164120.db2.gz CQPQHOXZZYGMFB-UHFFFAOYSA-N 1 0 313.357 2.957 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(C2)CC[NH2+]CC3)c2ccncc21 ZINC000420226470 296163598 /nfs/dbraw/zinc/16/35/98/296163598.db2.gz LUPXTYKAMYYXCZ-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@@]1(CNc2nccc3c2cccc3[N+](=O)[O-])CCC[NH2+]C1 ZINC000420232653 296164287 /nfs/dbraw/zinc/16/42/87/296164287.db2.gz VACAYOWBDKHWMX-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000060842326 399144980 /nfs/dbraw/zinc/14/49/80/399144980.db2.gz NDSQSDQAUZBQSD-JTQLQIEISA-N 1 0 309.395 2.590 20 5 DFBDRO CCOc1cccc(N2CCC[C@@]3(CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420247796 296165343 /nfs/dbraw/zinc/16/53/43/296165343.db2.gz HKKTWXDPZPGBSM-INIZCTEOSA-N 1 0 305.378 2.573 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cc1 ZINC000264577416 204006264 /nfs/dbraw/zinc/00/62/64/204006264.db2.gz BCOGCQZREQQYCE-QWHCGFSZSA-N 1 0 318.295 2.525 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000596014898 399148252 /nfs/dbraw/zinc/14/82/52/399148252.db2.gz WBSAFMKCMNGDJU-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420257039 296166295 /nfs/dbraw/zinc/16/62/95/296166295.db2.gz VYPAETNNNKBHIB-WPRPVWTQSA-N 1 0 303.284 2.848 20 5 DFBDRO Cc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc(F)cc1[N+](=O)[O-] ZINC000600789258 399146894 /nfs/dbraw/zinc/14/68/94/399146894.db2.gz KPYMZVJGFIARRR-CYBMUJFWSA-N 1 0 318.348 2.819 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000264624060 204034734 /nfs/dbraw/zinc/03/47/34/204034734.db2.gz BUXZQWWWTHNZNW-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2NCCC[C@H]2CCC[NH2+]2)s1 ZINC000420275077 296168030 /nfs/dbraw/zinc/16/80/30/296168030.db2.gz GBZBFAPDPUSNHJ-SECBINFHSA-N 1 0 307.379 2.544 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@H](C)CCCC[NH3+] ZINC000420267427 296167430 /nfs/dbraw/zinc/16/74/30/296167430.db2.gz YDMIAFDWQWBQEA-LLVKDONJSA-N 1 0 309.366 2.619 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)CCCC[NH3+] ZINC000420267428 296167511 /nfs/dbraw/zinc/16/75/11/296167511.db2.gz YDMIAFDWQWBQEA-NSHDSACASA-N 1 0 309.366 2.619 20 5 DFBDRO Cc1nc(N[C@@H](CCC[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC000420266384 296167560 /nfs/dbraw/zinc/16/75/60/296167560.db2.gz CJWBTBUNIFZRFA-ZDUSSCGKSA-N 1 0 301.350 2.585 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=C[C@@H](CO)C1 ZINC000341247754 284259412 /nfs/dbraw/zinc/25/94/12/284259412.db2.gz SVDDXPZGXMBXRX-MCIONIFRSA-N 1 0 322.430 2.992 20 5 DFBDRO C[C@H]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420277230 296168304 /nfs/dbraw/zinc/16/83/04/296168304.db2.gz HPMQUAZWKYDYDM-NWDGAFQWSA-N 1 0 300.362 2.564 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCCC[C@@H]1CCC[NH2+]1 ZINC000420290688 296170010 /nfs/dbraw/zinc/17/00/10/296170010.db2.gz VATCUYQUXAQMCN-LBPRGKRZSA-N 1 0 300.362 2.509 20 5 DFBDRO CC[C@H](NC(=O)C[N@H+](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000600825696 399156975 /nfs/dbraw/zinc/15/69/75/399156975.db2.gz UFSDNUWGVLCGBF-HNNXBMFYSA-N 1 0 305.378 2.646 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1OCc1cccc2c1CC[NH2+]C2 ZINC000596070343 399162195 /nfs/dbraw/zinc/16/21/95/399162195.db2.gz CGEYLGCDBAWLPR-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO O=C(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)NC1CCCC1 ZINC000618571661 399164014 /nfs/dbraw/zinc/16/40/14/399164014.db2.gz FWSQOXZWPQFTFZ-MRXNPFEDSA-N 1 0 317.389 2.621 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000080640852 399166185 /nfs/dbraw/zinc/16/61/85/399166185.db2.gz VBXHTLLALDTNOZ-NSHDSACASA-N 1 0 311.357 2.521 20 5 DFBDRO COc1cc(N2CCC([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596079178 399165871 /nfs/dbraw/zinc/16/58/71/399165871.db2.gz KIPNMFBOYMRENT-UHFFFAOYSA-N 1 0 313.785 2.787 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000271729403 209162809 /nfs/dbraw/zinc/16/28/09/209162809.db2.gz OSUAGLHMWSQKEM-SWLSCSKDSA-N 1 0 306.362 2.931 20 5 DFBDRO CCn1nccc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596094331 399170353 /nfs/dbraw/zinc/17/03/53/399170353.db2.gz KPFBUGFOBLTYRM-INIZCTEOSA-N 1 0 300.362 2.978 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596093548 399170727 /nfs/dbraw/zinc/17/07/27/399170727.db2.gz VMKHLQWWPBEIAS-GFCCVEGCSA-N 1 0 320.349 2.783 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000265537752 204685966 /nfs/dbraw/zinc/68/59/66/204685966.db2.gz OHPFCZFZNWETNJ-LLVKDONJSA-N 1 0 310.741 2.951 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420376973 296182578 /nfs/dbraw/zinc/18/25/78/296182578.db2.gz VRPLPPQEEDXQEG-GDZNZVCISA-N 1 0 321.421 2.858 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[C@H]1F ZINC000596105693 399175262 /nfs/dbraw/zinc/17/52/62/399175262.db2.gz MEAABCNFSQABCB-HUUCEWRRSA-N 1 0 319.336 2.726 20 5 DFBDRO O=C1CC[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C2(CCC2)N1 ZINC000282679243 217170765 /nfs/dbraw/zinc/17/07/65/217170765.db2.gz KCTUQUKFBQQFGN-CYBMUJFWSA-N 1 0 323.780 2.539 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000342472166 284339294 /nfs/dbraw/zinc/33/92/94/284339294.db2.gz JXONMERNDTUCHQ-UWVGGRQHSA-N 1 0 321.406 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C23CCC3)c(OC(F)F)c1 ZINC000600950423 399184599 /nfs/dbraw/zinc/18/45/99/399184599.db2.gz HTGXWMFZCKFXIQ-GFCCVEGCSA-N 1 0 313.304 2.893 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600952050 399185831 /nfs/dbraw/zinc/18/58/31/399185831.db2.gz QJJDTCQVLHAYRG-ZJUUUORDSA-N 1 0 303.284 2.558 20 5 DFBDRO C[C@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000600963265 399188359 /nfs/dbraw/zinc/18/83/59/399188359.db2.gz TXUWWPLBFHNHJE-GXFFZTMASA-N 1 0 316.336 2.722 20 5 DFBDRO [NH3+][C@H](CCNc1ncc([N+](=O)[O-])cc1F)Cc1ccccc1 ZINC000600961999 399188595 /nfs/dbraw/zinc/18/85/95/399188595.db2.gz YBXGIQCAPPGUCV-GFCCVEGCSA-N 1 0 304.325 2.501 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccco1 ZINC000266134968 205126638 /nfs/dbraw/zinc/12/66/38/205126638.db2.gz FKTXUIWYABFINS-AWEZNQCLSA-N 1 0 310.737 2.839 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000600958791 399187451 /nfs/dbraw/zinc/18/74/51/399187451.db2.gz LCBJTCVQJFCIIL-ZDUSSCGKSA-N 1 0 300.362 2.851 20 5 DFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252422 399189709 /nfs/dbraw/zinc/18/97/09/399189709.db2.gz RXVRWOCAYFURHP-WCQYABFASA-N 1 0 306.362 2.986 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](CC(C)C)C1CC1 ZINC000063493137 399191029 /nfs/dbraw/zinc/19/10/29/399191029.db2.gz BNHWWRIYRQNEGE-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1NC1CC[NH+](C2CCCC2)CC1 ZINC000596155223 399194878 /nfs/dbraw/zinc/19/48/78/399194878.db2.gz QIEIHOJRZLTOQK-UHFFFAOYSA-N 1 0 324.812 2.884 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2ccco2)CC1 ZINC000198782001 399196814 /nfs/dbraw/zinc/19/68/14/399196814.db2.gz YSFYTWYTFQFCCE-UHFFFAOYSA-N 1 0 305.309 2.649 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000420628574 296193742 /nfs/dbraw/zinc/19/37/42/296193742.db2.gz BCVTXISUKIHUNL-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@H+](CCNC(=O)c1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000601017931 399203875 /nfs/dbraw/zinc/20/38/75/399203875.db2.gz VEOZHIJHAIXTGN-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000274660304 211804321 /nfs/dbraw/zinc/80/43/21/211804321.db2.gz FJJGMFGNVJKOCJ-NEPJUHHUSA-N 1 0 307.394 2.939 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420640193 296195178 /nfs/dbraw/zinc/19/51/78/296195178.db2.gz SNVRYVITOBHZOH-AWEZNQCLSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000288441906 220144200 /nfs/dbraw/zinc/14/42/00/220144200.db2.gz OXBFJMBBXYECDT-OCCSQVGLSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)CC1CCCC1 ZINC000064021425 399214782 /nfs/dbraw/zinc/21/47/82/399214782.db2.gz OVZYOHLOGXGJBR-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000266942035 205694098 /nfs/dbraw/zinc/69/40/98/205694098.db2.gz WRXYMIGWGLWZBT-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000064558878 399228119 /nfs/dbraw/zinc/22/81/19/399228119.db2.gz STAXHLASGYXRBA-UHFFFAOYSA-N 1 0 308.378 2.924 20 5 DFBDRO Cn1nc2c(c1C[NH2+]CCc1ccccc1[N+](=O)[O-])CCCC2 ZINC000601108634 399229394 /nfs/dbraw/zinc/22/93/94/399229394.db2.gz LKBUFGSMDXKGML-UHFFFAOYSA-N 1 0 314.389 2.539 20 5 DFBDRO COCCc1ncc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000601109124 399229548 /nfs/dbraw/zinc/22/95/48/399229548.db2.gz RMENWPPEBJRNSV-UHFFFAOYSA-N 1 0 321.402 2.573 20 5 DFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267437703 206065414 /nfs/dbraw/zinc/06/54/14/206065414.db2.gz OEHDEGHHHQJHTL-CYBMUJFWSA-N 1 0 306.362 2.758 20 5 DFBDRO C[C@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601152837 399242692 /nfs/dbraw/zinc/24/26/92/399242692.db2.gz HDFNUNBCSBJUOX-OAHLLOKOSA-N 1 0 324.377 2.879 20 5 DFBDRO Cc1ccccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148944 399241044 /nfs/dbraw/zinc/24/10/44/399241044.db2.gz HTYYIXZBNOFWSY-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601150826 399241570 /nfs/dbraw/zinc/24/15/70/399241570.db2.gz FDDQBPFTUCRYRR-STQMWFEESA-N 1 0 320.311 2.941 20 5 DFBDRO Cc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601149539 399241856 /nfs/dbraw/zinc/24/18/56/399241856.db2.gz NUXQLFSINCTURC-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO COc1cccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 ZINC000601149584 399241956 /nfs/dbraw/zinc/24/19/56/399241956.db2.gz OLXZGAHLUOTYJF-KRWDZBQOSA-N 1 0 316.357 2.601 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267546117 206136125 /nfs/dbraw/zinc/13/61/25/206136125.db2.gz CSNACRYOKSYECW-RISCZKNCSA-N 1 0 305.378 2.574 20 5 DFBDRO C[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000023991426 182371016 /nfs/dbraw/zinc/37/10/16/182371016.db2.gz GJRWYEXPOBSBGR-LLVKDONJSA-N 1 0 302.334 2.877 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](CCO)CC2)cc1[N+](=O)[O-] ZINC000421014002 296224932 /nfs/dbraw/zinc/22/49/32/296224932.db2.gz JUVZHCKXIHODDP-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000601198951 399253111 /nfs/dbraw/zinc/25/31/11/399253111.db2.gz KCGHEHAAFSXYEK-LBPRGKRZSA-N 1 0 308.357 2.663 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421022391 296227010 /nfs/dbraw/zinc/22/70/10/296227010.db2.gz UUOPUAIYYWAJLW-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000618915923 399258003 /nfs/dbraw/zinc/25/80/03/399258003.db2.gz NGEKWQNNGALVHJ-VXGBXAGGSA-N 1 0 323.418 2.529 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000601229765 399259839 /nfs/dbraw/zinc/25/98/39/399259839.db2.gz ZXSJBWXCBAPQIP-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1ccccc1[N+](=O)[O-])c1cccs1 ZINC000033471526 182714027 /nfs/dbraw/zinc/71/40/27/182714027.db2.gz AWAJXDOUTKUQCO-CYBMUJFWSA-N 1 0 319.386 2.689 20 5 DFBDRO Cc1c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000601278776 399269915 /nfs/dbraw/zinc/26/99/15/399269915.db2.gz YCEVNEILRILWSI-BPUTZDHNSA-N 1 0 302.374 2.950 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000601300238 399273777 /nfs/dbraw/zinc/27/37/77/399273777.db2.gz GJNDKIYPOGDCIP-YGOYTEALSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300994 399273364 /nfs/dbraw/zinc/27/33/64/399273364.db2.gz OJYXAPCDBGRANM-AUTRQRHGSA-N 1 0 306.284 2.866 20 5 DFBDRO COC1([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404703 296252888 /nfs/dbraw/zinc/25/28/88/296252888.db2.gz PYJKKAZPDTVIIT-KGLIPLIRSA-N 1 0 322.405 2.700 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404704 296253016 /nfs/dbraw/zinc/25/30/16/296253016.db2.gz PYJKKAZPDTVIIT-UONOGXRCSA-N 1 0 322.405 2.700 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000421476576 296258618 /nfs/dbraw/zinc/25/86/18/296258618.db2.gz JYAUIYVOUOVZHV-KGLIPLIRSA-N 1 0 319.405 2.766 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421488547 296259779 /nfs/dbraw/zinc/25/97/79/296259779.db2.gz TWVCDVYDCPERFF-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)C[N@H+](C)CC(C)(C)C ZINC000608886363 399300609 /nfs/dbraw/zinc/30/06/09/399300609.db2.gz ADIWYWWEDDIBCI-UHFFFAOYSA-N 1 0 307.394 2.531 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000041926878 183226057 /nfs/dbraw/zinc/22/60/57/183226057.db2.gz JQDCDMNZNXJKES-UHFFFAOYSA-N 1 0 313.785 2.708 20 5 DFBDRO CC[N@H+]1C[C@H](NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615203284 399312265 /nfs/dbraw/zinc/31/22/65/399312265.db2.gz XRPDZHPBLATUCZ-WFASDCNBSA-N 1 0 319.405 2.788 20 5 DFBDRO Cc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000043148519 183341323 /nfs/dbraw/zinc/34/13/23/183341323.db2.gz LHUVGUVSJKYUPU-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO COc1ccc(CN2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000609386582 399316515 /nfs/dbraw/zinc/31/65/15/399316515.db2.gz WWAAYCLHPJARJC-AWEZNQCLSA-N 1 0 307.394 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[NH2+]C2)c(Br)c1 ZINC000043326855 183355248 /nfs/dbraw/zinc/35/52/48/183355248.db2.gz GWHDFRXLJRFCFS-MRVPVSSYSA-N 1 0 300.156 2.521 20 5 DFBDRO CO[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000344802998 284687917 /nfs/dbraw/zinc/68/79/17/284687917.db2.gz ZVQMQEGAYIAJHM-LLVKDONJSA-N 1 0 310.247 2.791 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000609708471 399330188 /nfs/dbraw/zinc/33/01/88/399330188.db2.gz MACSGQOPADULDQ-UITAMQMPSA-N 1 0 324.380 2.728 20 5 DFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000609894088 399335867 /nfs/dbraw/zinc/33/58/67/399335867.db2.gz VBJURAJXGPVEHF-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000601792592 399337706 /nfs/dbraw/zinc/33/77/06/399337706.db2.gz YQVKYKGAIRPYBE-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000421878722 296278589 /nfs/dbraw/zinc/27/85/89/296278589.db2.gz NVUQYGLLPFDDQV-OLZOCXBDSA-N 1 0 308.378 2.830 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000619432185 399345363 /nfs/dbraw/zinc/34/53/63/399345363.db2.gz CTSGGEOINKCYDU-MYWXAZLQSA-N 1 0 302.374 2.966 20 5 DFBDRO CC[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CCC1 ZINC000619433991 399345766 /nfs/dbraw/zinc/34/57/66/399345766.db2.gz AFUYWWKBWKUREP-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO COC[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000284591157 218092516 /nfs/dbraw/zinc/09/25/16/218092516.db2.gz QEIASGFRQXYSGZ-VFADXPBXSA-N 1 0 320.389 2.734 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000610252173 399350821 /nfs/dbraw/zinc/35/08/21/399350821.db2.gz PKNMOSZJFLJIRW-XNRPHZJLSA-N 1 0 319.405 2.892 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610281776 399353371 /nfs/dbraw/zinc/35/33/71/399353371.db2.gz KCMZUBPZAIENEF-OAHLLOKOSA-N 1 0 312.373 2.701 20 5 DFBDRO COc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000610274875 399352095 /nfs/dbraw/zinc/35/20/95/399352095.db2.gz KIUHBSJXDIBHPO-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1c(NC(=O)N2CCC([NH2+]C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000105350371 194098760 /nfs/dbraw/zinc/09/87/60/194098760.db2.gz CJFJCRZXCJYGPZ-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000610422007 399366481 /nfs/dbraw/zinc/36/64/81/399366481.db2.gz FYANJCUPWKRLCZ-OZVIIMIRSA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CCC23CCC3)cccc1[N+](=O)[O-] ZINC000610433298 399368095 /nfs/dbraw/zinc/36/80/95/399368095.db2.gz MGAXWSRJZWOMMV-UHFFFAOYSA-N 1 0 303.362 2.860 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)cn1 ZINC000610476330 399371075 /nfs/dbraw/zinc/37/10/75/399371075.db2.gz LTGYWMFUIILWPE-LBPRGKRZSA-N 1 0 318.352 2.847 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000610517614 399375896 /nfs/dbraw/zinc/37/58/96/399375896.db2.gz JWYPHHURVFVQON-IUODEOHRSA-N 1 0 315.377 2.574 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610517826 399376019 /nfs/dbraw/zinc/37/60/19/399376019.db2.gz WILMBUKFRUREPF-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO CC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[N@@H+]1CCOC ZINC000106115127 194187617 /nfs/dbraw/zinc/18/76/17/194187617.db2.gz XDAVEIUUWRHRDE-GOEBONIOSA-N 1 0 321.421 2.698 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nccn2C1 ZINC000615720671 399377513 /nfs/dbraw/zinc/37/75/13/399377513.db2.gz LFLPTCUSLBXMJE-GLNPCMGASA-N 1 0 312.373 2.799 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000615720669 399377557 /nfs/dbraw/zinc/37/75/57/399377557.db2.gz LFLPTCUSLBXMJE-BMQCOBNYSA-N 1 0 312.373 2.799 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+](C[C@@H]3CCOC3)C3CC3)nc2c1 ZINC000610581226 399382207 /nfs/dbraw/zinc/38/22/07/399382207.db2.gz SHCDGUVXGPTEBO-NSHDSACASA-N 1 0 317.345 2.737 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(C2CCOCC2)C1 ZINC000619726575 399384329 /nfs/dbraw/zinc/38/43/29/399384329.db2.gz JYMDBIHICXYBFX-HWKANZROSA-N 1 0 302.374 2.966 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000285178901 218322083 /nfs/dbraw/zinc/32/20/83/218322083.db2.gz NFJYPVGWZZQDGP-RTXFEEFZSA-N 1 0 321.377 2.559 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000109756280 194283050 /nfs/dbraw/zinc/28/30/50/194283050.db2.gz WGPFNDKRQNOQLZ-STQMWFEESA-N 1 0 318.295 2.791 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000109792832 194285859 /nfs/dbraw/zinc/28/58/59/194285859.db2.gz DHBSDGOLIKEHGM-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000109796205 194286983 /nfs/dbraw/zinc/28/69/83/194286983.db2.gz CYINDXCHPMIKHE-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO C[NH+](C)C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000052554776 183864023 /nfs/dbraw/zinc/86/40/23/183864023.db2.gz HCTWLTITBUJOBQ-INIZCTEOSA-N 1 0 313.357 2.628 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1-c1nc(C2([NH3+])CCCC2)no1 ZINC000422553026 296311945 /nfs/dbraw/zinc/31/19/45/296311945.db2.gz SMLPHFNGVNVTDQ-UHFFFAOYSA-N 1 0 302.334 2.990 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000610715234 399396979 /nfs/dbraw/zinc/39/69/79/399396979.db2.gz LAIWUMDFSHPQPY-LLVKDONJSA-N 1 0 311.357 2.709 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273372967 210720451 /nfs/dbraw/zinc/72/04/51/210720451.db2.gz GYGITJMSZQHWER-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO CN1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804180 399407780 /nfs/dbraw/zinc/40/77/80/399407780.db2.gz MCBMINGJCRETFH-HZPDHXFCSA-N 1 0 303.406 2.600 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804181 399407948 /nfs/dbraw/zinc/40/79/48/399407948.db2.gz MCBMINGJCRETFH-JKSUJKDBSA-N 1 0 303.406 2.600 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cccc([N+](=O)[O-])c1 ZINC000268946955 207112172 /nfs/dbraw/zinc/11/21/72/207112172.db2.gz UJHTVMPFXLEQNI-WBVHZDCISA-N 1 0 321.421 2.746 20 5 DFBDRO CC[NH+]1CCC(N(C(=O)c2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000057370705 184036360 /nfs/dbraw/zinc/03/63/60/184036360.db2.gz KDLIKEKHJZKHNM-UHFFFAOYSA-N 1 0 317.389 2.684 20 5 DFBDRO CC[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C ZINC000616062516 399417786 /nfs/dbraw/zinc/41/77/86/399417786.db2.gz NXGDNSHATFLBBG-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000422726965 296322629 /nfs/dbraw/zinc/32/26/29/296322629.db2.gz AZUBSANHVQAHJF-TZMCWYRMSA-N 1 0 305.378 2.554 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602437449 399444152 /nfs/dbraw/zinc/44/41/52/399444152.db2.gz XZUFSPIURLEZJF-HNNXBMFYSA-N 1 0 300.362 2.535 20 5 DFBDRO Cc1cccc([C@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])c1 ZINC000602438082 399444361 /nfs/dbraw/zinc/44/43/61/399444361.db2.gz BMWZGMQYUGGPAA-OAHLLOKOSA-N 1 0 300.362 2.974 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CCOC3)CC2)cc1 ZINC000611178340 399442066 /nfs/dbraw/zinc/44/20/66/399442066.db2.gz UXCKPJQUOPKZSF-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO Cn1cc(C[N@H+](C)CCc2ccc(Cl)cc2)c([N+](=O)[O-])n1 ZINC000602454978 399448520 /nfs/dbraw/zinc/44/85/20/399448520.db2.gz PBOXFYBOYDHTSR-UHFFFAOYSA-N 1 0 308.769 2.656 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000602466870 399452183 /nfs/dbraw/zinc/45/21/83/399452183.db2.gz PLTMPLKMXIXATL-OCCSQVGLSA-N 1 0 307.394 2.844 20 5 DFBDRO COc1cc(N2CCC(C[NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000611255765 399452473 /nfs/dbraw/zinc/45/24/73/399452473.db2.gz NJGWMWSBRGCOPY-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO CCc1nc(C)c([C@H](C)N(C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602471862 399452888 /nfs/dbraw/zinc/45/28/88/399452888.db2.gz LUICHZTWYPUHJX-JTQLQIEISA-N 1 0 323.422 2.849 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)OCCO2 ZINC000611268578 399454374 /nfs/dbraw/zinc/45/43/74/399454374.db2.gz WKENTCHJTSJFTR-ZDUSSCGKSA-N 1 0 304.346 2.740 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602472224 399454384 /nfs/dbraw/zinc/45/43/84/399454384.db2.gz PTSILKSQGUAVIS-ZDUSSCGKSA-N 1 0 318.352 2.532 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)o1 ZINC000611267509 399454595 /nfs/dbraw/zinc/45/45/95/399454595.db2.gz JZKUAHDLZLIUKP-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]Cc3cccs3)CC2)cn1 ZINC000602507417 399463134 /nfs/dbraw/zinc/46/31/34/399463134.db2.gz JCTBAUVHISRSKY-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO Cc1csc(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000602510028 399464079 /nfs/dbraw/zinc/46/40/79/399464079.db2.gz ILHYNPZRHRMFDA-UHFFFAOYSA-N 1 0 318.358 2.833 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602511814 399465006 /nfs/dbraw/zinc/46/50/06/399465006.db2.gz UHVYLNCBEQEUNB-ZDUSSCGKSA-N 1 0 302.378 2.568 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)Cc2ccccc2)cc1 ZINC000602524488 399467816 /nfs/dbraw/zinc/46/78/16/399467816.db2.gz KHTMEPLSGIOLJQ-QGZVFWFLSA-N 1 0 314.385 2.578 20 5 DFBDRO C[C@H](COCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602533450 399469373 /nfs/dbraw/zinc/46/93/73/399469373.db2.gz HHNFIAJVIRQEKX-SNVBAGLBSA-N 1 0 306.284 2.694 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000602542982 399471487 /nfs/dbraw/zinc/47/14/87/399471487.db2.gz CJGLYISJFGTGNT-UONOGXRCSA-N 1 0 305.378 2.589 20 5 DFBDRO CO[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000602548808 399473293 /nfs/dbraw/zinc/47/32/93/399473293.db2.gz FNYNEJQZWXYNDG-GOSISDBHSA-N 1 0 314.385 2.985 20 5 DFBDRO CC[C@H](CCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602551873 399474071 /nfs/dbraw/zinc/47/40/71/399474071.db2.gz KPODZAGBASHHSS-LLVKDONJSA-N 1 0 306.284 2.864 20 5 DFBDRO CC[S@](=O)[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602565087 399477242 /nfs/dbraw/zinc/47/72/42/399477242.db2.gz PIAIBYBJGAXXPK-PGKMIFDNSA-N 1 0 324.446 2.807 20 5 DFBDRO C[C@H](CCO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602560703 399475907 /nfs/dbraw/zinc/47/59/07/399475907.db2.gz KZSDBTXQTUNOCP-SECBINFHSA-N 1 0 306.284 2.722 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000602560644 399476051 /nfs/dbraw/zinc/47/60/51/399476051.db2.gz OEYYSJMWNATDOX-GXFFZTMASA-N 1 0 318.295 2.864 20 5 DFBDRO C[C@@]1(C[NH2+]CCn2cc([N+](=O)[O-])cn2)C[C@H]1c1ccccc1 ZINC000602569153 399478881 /nfs/dbraw/zinc/47/88/81/399478881.db2.gz OEMUYUKWNGEVTK-HOTGVXAUSA-N 1 0 300.362 2.575 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCOC4(CCC4)C3)nc2c1 ZINC000602567568 399477968 /nfs/dbraw/zinc/47/79/68/399477968.db2.gz GUNVZGMGGDRVAN-NSHDSACASA-N 1 0 317.345 2.927 20 5 DFBDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602575851 399480358 /nfs/dbraw/zinc/48/03/58/399480358.db2.gz HGVXOAFTTZJUJA-IMTBSYHQSA-N 1 0 321.196 2.686 20 5 DFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602577700 399480730 /nfs/dbraw/zinc/48/07/30/399480730.db2.gz JEVCVZBBCXFHDX-JTQLQIEISA-N 1 0 311.769 2.592 20 5 DFBDRO CC[C@H](CSC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602579756 399481544 /nfs/dbraw/zinc/48/15/44/399481544.db2.gz BXKIVSXCWITYSS-GFCCVEGCSA-N 1 0 324.450 2.690 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577098 399481028 /nfs/dbraw/zinc/48/10/28/399481028.db2.gz RSZKUUFBEHRDFD-JTQLQIEISA-N 1 0 305.334 2.783 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000422772246 296330755 /nfs/dbraw/zinc/33/07/55/296330755.db2.gz SFJPSHJRGMDNBJ-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO COc1cc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000611515644 399485981 /nfs/dbraw/zinc/48/59/81/399485981.db2.gz DKAQEWITVJUQSO-LSDHHAIUSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602598515 399487492 /nfs/dbraw/zinc/48/74/92/399487492.db2.gz KKUMEQBCGNVKQU-AWEZNQCLSA-N 1 0 318.377 2.508 20 5 DFBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000602610173 399489722 /nfs/dbraw/zinc/48/97/22/399489722.db2.gz GZRWTOUEWFCXGK-IAGOWNOFSA-N 1 0 304.390 2.932 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCO[C@H](C4CC4)C3)nc2c1 ZINC000602616480 399491890 /nfs/dbraw/zinc/49/18/90/399491890.db2.gz JDVAZADVCLQMLI-ABAIWWIYSA-N 1 0 317.345 2.783 20 5 DFBDRO Cn1nc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000602613884 399491108 /nfs/dbraw/zinc/49/11/08/399491108.db2.gz AFCPWVPIDPOOCW-UHFFFAOYSA-N 1 0 324.384 2.856 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)c1 ZINC000611554673 399491289 /nfs/dbraw/zinc/49/12/89/399491289.db2.gz RPCMZUHRYGXACK-HLRDLLSLSA-N 1 0 312.373 2.969 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc(C)cc(C)c2[N+](=O)[O-])C1 ZINC000611616855 399499101 /nfs/dbraw/zinc/49/91/01/399499101.db2.gz RKSGLFGBOIHXDO-AWEZNQCLSA-N 1 0 306.410 2.775 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000602638099 399499185 /nfs/dbraw/zinc/49/91/85/399499185.db2.gz RUSFIHHHJYVRMK-HNNXBMFYSA-N 1 0 318.377 2.766 20 5 DFBDRO C[C@H]1CCC[C@@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602650549 399501991 /nfs/dbraw/zinc/50/19/91/399501991.db2.gz YACNHVHNSNLYLQ-UONOGXRCSA-N 1 0 318.421 2.984 20 5 DFBDRO C[NH+](C)[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602656042 399504807 /nfs/dbraw/zinc/50/48/07/399504807.db2.gz LDEWMAWJSNQZRQ-LBPRGKRZSA-N 1 0 317.311 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H](CO)C3CCCCC3)nc2c1 ZINC000611684743 399504980 /nfs/dbraw/zinc/50/49/80/399504980.db2.gz UUFOLCSVCAGMRE-CQSZACIVSA-N 1 0 319.361 2.767 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1[N+](=O)[O-] ZINC000422853609 296345306 /nfs/dbraw/zinc/34/53/06/296345306.db2.gz ZIKLTLISDSXXIJ-RISCZKNCSA-N 1 0 305.378 2.528 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869826 296347829 /nfs/dbraw/zinc/34/78/29/296347829.db2.gz YDVCZGGWHFZZLT-ZFWWWQNUSA-N 1 0 319.405 2.966 20 5 DFBDRO CCOC(=O)C1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347382212 285022169 /nfs/dbraw/zinc/02/21/69/285022169.db2.gz UPRBLERHFDUHSY-LCYFTJDESA-N 1 0 318.373 2.931 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2ncnc3cccc([N+](=O)[O-])c32)CC1 ZINC000347402008 285034817 /nfs/dbraw/zinc/03/48/17/285034817.db2.gz FRSTZYRZRZKHTE-UHFFFAOYSA-N 1 0 315.377 2.823 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000602672467 399513993 /nfs/dbraw/zinc/51/39/93/399513993.db2.gz OYRMBUZMFQMALW-YPMHNXCESA-N 1 0 318.295 2.573 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(OC)c([N+](=O)[O-])cc1F ZINC000119797750 195038627 /nfs/dbraw/zinc/03/86/27/195038627.db2.gz FXHRGJUCNHLGOY-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO CC(C)([NH2+]Cc1c[nH]c2ncncc12)c1ccccc1[N+](=O)[O-] ZINC000602674527 399515929 /nfs/dbraw/zinc/51/59/29/399515929.db2.gz VNJULELVMJKALR-UHFFFAOYSA-N 1 0 311.345 2.843 20 5 DFBDRO C[NH+](C)C1(CNCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602693660 399523166 /nfs/dbraw/zinc/52/31/66/399523166.db2.gz DZEZCMXATZMHIG-UHFFFAOYSA-N 1 0 317.311 2.797 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1 ZINC000602692738 399523458 /nfs/dbraw/zinc/52/34/58/399523458.db2.gz YTDIFYWMIXUMFI-OAHLLOKOSA-N 1 0 318.348 2.642 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)cn1 ZINC000602688386 399521034 /nfs/dbraw/zinc/52/10/34/399521034.db2.gz VPCIXMGMFXNHJU-UHOFOFEASA-N 1 0 316.405 2.737 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000024659799 285085037 /nfs/dbraw/zinc/08/50/37/285085037.db2.gz ZVCIYZDYGGXKPW-LLVKDONJSA-N 1 0 315.295 2.898 20 5 DFBDRO C[C@H](O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602717351 399536181 /nfs/dbraw/zinc/53/61/81/399536181.db2.gz XZVSWEYKZVZETK-SUMWQHHRSA-N 1 0 300.358 2.849 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)c([N+](=O)[O-])n1 ZINC000602714567 399535383 /nfs/dbraw/zinc/53/53/83/399535383.db2.gz BKPXOPRAFBUPBW-STQMWFEESA-N 1 0 322.409 2.544 20 5 DFBDRO C[C@H](CO)CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000270262377 208328929 /nfs/dbraw/zinc/32/89/29/208328929.db2.gz IPAMWPCAJAVUSN-JTQLQIEISA-N 1 0 318.320 2.694 20 5 DFBDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610773 285091453 /nfs/dbraw/zinc/09/14/53/285091453.db2.gz ZMKLJXHQZBODIY-KGLIPLIRSA-N 1 0 321.421 2.903 20 5 DFBDRO C[C@](CO)([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602732006 399545754 /nfs/dbraw/zinc/54/57/54/399545754.db2.gz MPKOHHVTOQYEKS-QGZVFWFLSA-N 1 0 322.405 2.599 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629376 285101746 /nfs/dbraw/zinc/10/17/46/285101746.db2.gz KCJMNZJWJSRGOT-DZGCQCFKSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@](CO)([NH2+]CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000602730412 399544449 /nfs/dbraw/zinc/54/44/49/399544449.db2.gz BZLGDKUEXDJAHM-QGZVFWFLSA-N 1 0 300.358 2.635 20 5 DFBDRO Cc1c(C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000602737602 399549318 /nfs/dbraw/zinc/54/93/18/399549318.db2.gz FFGXUAAIXZCQKQ-NWDGAFQWSA-N 1 0 318.295 2.506 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090207 296377179 /nfs/dbraw/zinc/37/71/79/296377179.db2.gz UWYMRLVBGGAFDR-NEPJUHHUSA-N 1 0 303.284 2.583 20 5 DFBDRO C[C@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272953094 210340715 /nfs/dbraw/zinc/34/07/15/210340715.db2.gz MXIPIZHFOWDSRS-JTQLQIEISA-N 1 0 323.780 2.628 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000602757441 399558415 /nfs/dbraw/zinc/55/84/15/399558415.db2.gz DYOJVEMGDBXRKH-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCc1ccccc1 ZINC000602763682 399560462 /nfs/dbraw/zinc/56/04/62/399560462.db2.gz RWOGJMFCDMLPAN-UHFFFAOYSA-N 1 0 302.378 2.664 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCc2ncnn21 ZINC000602763564 399561260 /nfs/dbraw/zinc/56/12/60/399561260.db2.gz MAZWTHKFPXQNMO-OAHLLOKOSA-N 1 0 315.377 2.584 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000602767482 399562833 /nfs/dbraw/zinc/56/28/33/399562833.db2.gz WMEOKXMFHVZLDH-OAHLLOKOSA-N 1 0 300.362 2.589 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CC[C@H]([NH+]4CCCCC4)C3)nc2c1 ZINC000278381995 285140895 /nfs/dbraw/zinc/14/08/95/285140895.db2.gz FFBQUVIVXCQLLF-ZDUSSCGKSA-N 1 0 315.377 2.536 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCc2sccc2C1 ZINC000602775652 399566437 /nfs/dbraw/zinc/56/64/37/399566437.db2.gz LLXIKSUVAHFPNC-UHFFFAOYSA-N 1 0 306.391 2.610 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000158291014 197259744 /nfs/dbraw/zinc/25/97/44/197259744.db2.gz IBLBTPLSPQWJEU-CYBMUJFWSA-N 1 0 302.378 2.920 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000602779866 399570840 /nfs/dbraw/zinc/57/08/40/399570840.db2.gz SYDCGCJJFZBLCN-WBMJQRKESA-N 1 0 300.362 2.793 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCc1nccs1 ZINC000157832573 197218998 /nfs/dbraw/zinc/21/89/98/197218998.db2.gz UTAZVASWNHDZOK-UHFFFAOYSA-N 1 0 307.375 2.605 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000423190391 296390285 /nfs/dbraw/zinc/39/02/85/296390285.db2.gz NVYJAZURGGEKDZ-QWHCGFSZSA-N 1 0 309.435 2.807 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@H]1CCC[NH2+]C1 ZINC000423190390 296390504 /nfs/dbraw/zinc/39/05/04/296390504.db2.gz NVYJAZURGGEKDZ-OLZOCXBDSA-N 1 0 309.435 2.807 20 5 DFBDRO COc1ccccc1C(C)(C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602793700 399577597 /nfs/dbraw/zinc/57/75/97/399577597.db2.gz ZWCDVXGUSHHRKX-UHFFFAOYSA-N 1 0 318.377 2.633 20 5 DFBDRO CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602800989 399579663 /nfs/dbraw/zinc/57/96/63/399579663.db2.gz KHHZFAPWIAHCDA-HNNXBMFYSA-N 1 0 320.368 2.824 20 5 DFBDRO Cc1cnc(CC[N@H+](C)CCOc2ccccc2[N+](=O)[O-])s1 ZINC000157445309 197187978 /nfs/dbraw/zinc/18/79/78/197187978.db2.gz FFNSCMWOPIXWML-UHFFFAOYSA-N 1 0 321.402 2.913 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000602803609 399580974 /nfs/dbraw/zinc/58/09/74/399580974.db2.gz DPCROYWXPSXJJW-LBPRGKRZSA-N 1 0 314.345 2.588 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000602802608 399580983 /nfs/dbraw/zinc/58/09/83/399580983.db2.gz RJJFQNKBUQQXIH-AWEZNQCLSA-N 1 0 306.391 2.902 20 5 DFBDRO CCC1(CC)C[N@H+](CCn2c(C)ncc2[N+](=O)[O-])CCS1 ZINC000602809096 399584025 /nfs/dbraw/zinc/58/40/25/399584025.db2.gz FMEGJCPMDNEHSC-UHFFFAOYSA-N 1 0 312.439 2.707 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000602807377 399584148 /nfs/dbraw/zinc/58/41/48/399584148.db2.gz YJUIMMGJNCPJNB-INIZCTEOSA-N 1 0 314.389 2.711 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602818639 399587398 /nfs/dbraw/zinc/58/73/98/399587398.db2.gz VZGMEFLSSKKFBN-ZBFHGGJFSA-N 1 0 314.389 2.829 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(F)cc1C ZINC000602826101 399589865 /nfs/dbraw/zinc/58/98/65/399589865.db2.gz JWNHKXTXKXLZJE-UHFFFAOYSA-N 1 0 306.341 2.679 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](C(F)(F)F)C[C@H]1C ZINC000602838299 399596792 /nfs/dbraw/zinc/59/67/92/399596792.db2.gz BDNINQZPSPTTCM-KOLCDFICSA-N 1 0 320.315 2.763 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000156044863 197082659 /nfs/dbraw/zinc/08/26/59/197082659.db2.gz QLQJAMNYFONWSU-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)c([N+](=O)[O-])n1 ZINC000602851391 399602193 /nfs/dbraw/zinc/60/21/93/399602193.db2.gz VTRVUSLUCLJCKW-VHSXEESVSA-N 1 0 306.288 2.539 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2ccccc2C)CC1 ZINC000602850253 399601389 /nfs/dbraw/zinc/60/13/89/399601389.db2.gz DDNMCXWMSFARRZ-UHFFFAOYSA-N 1 0 300.362 2.687 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000155327485 197044396 /nfs/dbraw/zinc/04/43/96/197044396.db2.gz YNVAPQBKYHODJM-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423386735 296411485 /nfs/dbraw/zinc/41/14/85/296411485.db2.gz RNMLFFMWKMXINP-SGMGOOAPSA-N 1 0 307.394 2.785 20 5 DFBDRO Cc1ccccc1C1([NH2+]Cc2cn(C)nc2[N+](=O)[O-])CCC1 ZINC000602859748 399606561 /nfs/dbraw/zinc/60/65/61/399606561.db2.gz FWNBUAPENHVWKV-UHFFFAOYSA-N 1 0 300.362 2.806 20 5 DFBDRO CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347905087 285235698 /nfs/dbraw/zinc/23/56/98/285235698.db2.gz YYZZHDGNCYPXBR-GFCCVEGCSA-N 1 0 323.780 2.557 20 5 DFBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])c1ccccc1F ZINC000602874502 399611148 /nfs/dbraw/zinc/61/11/48/399611148.db2.gz SAEFQGKOJYRDRK-CQSZACIVSA-N 1 0 306.341 2.980 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000347965394 285272861 /nfs/dbraw/zinc/27/28/61/285272861.db2.gz UQOIRQYAVKKTBY-UHFFFAOYSA-N 1 0 311.357 2.538 20 5 DFBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000120809101 195241907 /nfs/dbraw/zinc/24/19/07/195241907.db2.gz LPPPUYCPWONHKI-GXTWGEPZSA-N 1 0 307.394 2.561 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423598067 296432289 /nfs/dbraw/zinc/43/22/89/296432289.db2.gz VKLGMACQVILIBY-WDEREUQCSA-N 1 0 323.418 2.707 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423596504 296432048 /nfs/dbraw/zinc/43/20/48/296432048.db2.gz RRUMMKONAAAFEI-OLZOCXBDSA-N 1 0 305.378 2.718 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000423620742 296434390 /nfs/dbraw/zinc/43/43/90/296434390.db2.gz WUHDKUQQIPXAIO-MFKMUULPSA-N 1 0 323.418 2.577 20 5 DFBDRO COc1cncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000289477420 221003139 /nfs/dbraw/zinc/00/31/39/221003139.db2.gz RLOJKTWGXCJMAH-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289736002 221189572 /nfs/dbraw/zinc/18/95/72/221189572.db2.gz JHQNUMPHKBQZMA-HZPDHXFCSA-N 1 0 322.405 2.908 20 5 DFBDRO C[C@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289851766 221269962 /nfs/dbraw/zinc/26/99/62/221269962.db2.gz PSSRZSAXQWGBAO-GXFFZTMASA-N 1 0 300.305 2.605 20 5 DFBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1[C@H]1CCCO1 ZINC000289889665 221296486 /nfs/dbraw/zinc/29/64/86/221296486.db2.gz SIAJGDNXCJJCFB-ARFHVFGLSA-N 1 0 320.389 2.518 20 5 DFBDRO COc1ncccc1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289931421 221325787 /nfs/dbraw/zinc/32/57/87/221325787.db2.gz WDUWGZJLNXWDOK-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)cs1 ZINC000290020762 221384831 /nfs/dbraw/zinc/38/48/31/221384831.db2.gz ZMVNAWPVDDFGMI-ZBFHGGJFSA-N 1 0 318.398 2.912 20 5 DFBDRO CCC1([NH+](C)C)CCN(Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000602966780 399642186 /nfs/dbraw/zinc/64/21/86/399642186.db2.gz RAZZTIRJIFIAOD-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)cc1 ZINC000602997463 399654944 /nfs/dbraw/zinc/65/49/44/399654944.db2.gz KQQFEABYXJXYJM-ULQDDVLXSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000612613302 399689526 /nfs/dbraw/zinc/68/95/26/399689526.db2.gz WWCNWLLEHQGTIW-SNVBAGLBSA-N 1 0 324.356 2.586 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000423749071 296443405 /nfs/dbraw/zinc/44/34/05/296443405.db2.gz SBIFZDASBSCQJT-HNNXBMFYSA-N 1 0 319.405 2.836 20 5 DFBDRO CCC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1CCOC ZINC000121783396 195345660 /nfs/dbraw/zinc/34/56/60/195345660.db2.gz LWFKMYVKRFFWSB-KRWDZBQOSA-N 1 0 321.421 2.528 20 5 DFBDRO Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000121823873 195355886 /nfs/dbraw/zinc/35/58/86/195355886.db2.gz XLXAEVSUHKASOY-UHFFFAOYSA-N 1 0 319.405 2.942 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cn1C ZINC000348130639 285370515 /nfs/dbraw/zinc/37/05/15/285370515.db2.gz MNDPXSNEIFSZLQ-NSHDSACASA-N 1 0 317.345 2.571 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCOC1 ZINC000348139742 285377079 /nfs/dbraw/zinc/37/70/79/285377079.db2.gz JHJKDOPOBXORKP-WDEREUQCSA-N 1 0 305.334 2.641 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCc1cnccn1 ZINC000272531843 130039276 /nfs/dbraw/zinc/03/92/76/130039276.db2.gz QYFXWEGOMGZRFX-CYBMUJFWSA-N 1 0 300.362 2.929 20 5 DFBDRO Cc1cc(N2CCC([N@H+]3CCOC[C@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000603402032 399766598 /nfs/dbraw/zinc/76/65/98/399766598.db2.gz LNXFPRVFOMWHIA-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000348249845 285449347 /nfs/dbraw/zinc/44/93/47/285449347.db2.gz ZSVYKYITWCVIOG-WBVHZDCISA-N 1 0 315.373 2.807 20 5 DFBDRO C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617729176 399784247 /nfs/dbraw/zinc/78/42/47/399784247.db2.gz YHGUEIBVSVGNGX-OLZOCXBDSA-N 1 0 319.405 2.545 20 5 DFBDRO C[NH2+]CCCN(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000424036547 296478632 /nfs/dbraw/zinc/47/86/32/296478632.db2.gz USPONRCKMXGPBY-UHFFFAOYSA-N 1 0 307.394 2.574 20 5 DFBDRO CCCC[N@@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000613065845 399786793 /nfs/dbraw/zinc/78/67/93/399786793.db2.gz DNZURFNXLDMCRU-UHFFFAOYSA-N 1 0 317.393 2.783 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[C@H]2O)s1 ZINC000424205311 296493209 /nfs/dbraw/zinc/49/32/09/296493209.db2.gz VAGVDASYLAQWLY-TZMCWYRMSA-N 1 0 304.371 2.936 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617831911 399810691 /nfs/dbraw/zinc/81/06/91/399810691.db2.gz WGMINXBKLNMTKE-DZGCQCFKSA-N 1 0 319.405 2.687 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000603845505 399808728 /nfs/dbraw/zinc/80/87/28/399808728.db2.gz UYLMABVWIGNPEQ-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271627859 209073030 /nfs/dbraw/zinc/07/30/30/209073030.db2.gz YMSPYBJNZXLZQY-RYUDHWBXSA-N 1 0 321.377 2.805 20 5 DFBDRO CC(C)CCOCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000604071190 399826889 /nfs/dbraw/zinc/82/68/89/399826889.db2.gz UFQDPHFGUIOFDH-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCCCC3)no2)c1 ZINC000424340789 296503852 /nfs/dbraw/zinc/50/38/52/296503852.db2.gz HREVSDUVMVRFHF-UHFFFAOYSA-N 1 0 318.333 2.772 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000261741344 296513749 /nfs/dbraw/zinc/51/37/49/296513749.db2.gz MSNRPMLZPOSCHT-KRWDZBQOSA-N 1 0 315.348 2.880 20 5 DFBDRO CN1CCC([NH+]2CCC(Nc3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000604520293 399852265 /nfs/dbraw/zinc/85/22/65/399852265.db2.gz KDZLBQYELGEXES-UHFFFAOYSA-N 1 0 324.450 2.627 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349331631 285836541 /nfs/dbraw/zinc/83/65/41/285836541.db2.gz MHCKSGDFUYEOGI-PGJNLMOESA-N 1 0 318.295 2.901 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCN2CCCOCC2)cc1[N+](=O)[O-] ZINC000349409635 285858559 /nfs/dbraw/zinc/85/85/59/285858559.db2.gz SBWRQKLCWFTTLC-UHFFFAOYSA-N 1 0 321.421 2.530 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000170739878 145250600 /nfs/dbraw/zinc/25/06/00/145250600.db2.gz ZSSPJJDUVTWSGW-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO CNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173305761 145339465 /nfs/dbraw/zinc/33/94/65/145339465.db2.gz HKVHCESQFPYVJR-GFCCVEGCSA-N 1 0 313.357 2.805 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179521270 145556176 /nfs/dbraw/zinc/55/61/76/145556176.db2.gz FJBYBNXTMDHEOT-ZDUSSCGKSA-N 1 0 321.421 2.980 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000189762334 145832996 /nfs/dbraw/zinc/83/29/96/145832996.db2.gz PPMYWMQJWAHXEU-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000192768898 145931181 /nfs/dbraw/zinc/93/11/81/145931181.db2.gz ZHXOOSOTCDZKND-UHFFFAOYSA-N 1 0 323.418 2.604 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000245498013 146078495 /nfs/dbraw/zinc/07/84/95/146078495.db2.gz VFSHIQHJJIQCPU-WFASDCNBSA-N 1 0 320.393 2.789 20 5 DFBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@@H]1C ZINC000245898757 146108015 /nfs/dbraw/zinc/10/80/15/146108015.db2.gz KVLCOVJMNNAQFX-WWGRRREGSA-N 1 0 317.389 2.678 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000246416371 146137968 /nfs/dbraw/zinc/13/79/68/146137968.db2.gz BONXCMPVWRVVLF-ZFWWWQNUSA-N 1 0 321.421 2.766 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000246527148 146142118 /nfs/dbraw/zinc/14/21/18/146142118.db2.gz JJIQXOCCBXXZHE-CABCVRRESA-N 1 0 319.405 2.662 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000247349592 146166398 /nfs/dbraw/zinc/16/63/98/146166398.db2.gz JPZYEHMXUFGRMM-ZFWWWQNUSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000261623356 146248594 /nfs/dbraw/zinc/24/85/94/146248594.db2.gz CEDPPYIXJAEQED-NXEZZACHSA-N 1 0 319.386 2.619 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261682068 146259504 /nfs/dbraw/zinc/25/95/04/146259504.db2.gz IIFSUEZAYSNOIL-INIZCTEOSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000261701136 146262650 /nfs/dbraw/zinc/26/26/50/146262650.db2.gz JXDLCKPKBCAVLZ-UHFFFAOYSA-N 1 0 319.405 2.567 20 5 DFBDRO CN(c1ccc2cc([N+](=O)[O-])ccc2n1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261728279 146266381 /nfs/dbraw/zinc/26/63/81/146266381.db2.gz MPEMVSSHWSGXGP-NNQSOWQGSA-N 1 0 312.373 2.862 20 5 DFBDRO [NH3+]CCN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000261809747 146279809 /nfs/dbraw/zinc/27/98/09/146279809.db2.gz SJTKKPCWRLDHFT-UHFFFAOYSA-N 1 0 317.364 2.737 20 5 DFBDRO COc1ccc(CN2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000261825465 146283086 /nfs/dbraw/zinc/28/30/86/146283086.db2.gz XDVJGIVCVRSGFK-UHFFFAOYSA-N 1 0 319.405 2.567 20 5 DFBDRO [NH3+][C@H](CC1CCCCC1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000261958427 146310147 /nfs/dbraw/zinc/31/01/47/146310147.db2.gz XJKSORJOTOBPOV-MRXNPFEDSA-N 1 0 319.405 2.551 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)c2cc(F)cc(C)c2[N+](=O)[O-])CC1 ZINC000262000000 146319641 /nfs/dbraw/zinc/31/96/41/146319641.db2.gz GBNHHFQUTXHIEM-UHFFFAOYSA-N 1 0 323.368 2.504 20 5 DFBDRO [NH3+]C1(c2noc(/C=C/c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000262047643 146327793 /nfs/dbraw/zinc/32/77/93/146327793.db2.gz ZDWBLRKLENTTQC-VMPITWQZSA-N 1 0 300.318 2.876 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000262137811 146338200 /nfs/dbraw/zinc/33/82/00/146338200.db2.gz YUQMIPDCXOMTDW-IAQYHMDHSA-N 1 0 301.346 2.634 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000262458541 146361006 /nfs/dbraw/zinc/36/10/06/146361006.db2.gz IJECNUMTHOEFRT-HNNXBMFYSA-N 1 0 305.378 2.509 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000354351348 147005432 /nfs/dbraw/zinc/00/54/32/147005432.db2.gz CUOWQDXQWDKPRY-QWRGUYRKSA-N 1 0 312.801 2.952 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000354409330 147026857 /nfs/dbraw/zinc/02/68/57/147026857.db2.gz SEQGLVDCLWXMPL-AWEZNQCLSA-N 1 0 323.368 2.728 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000354435471 147035728 /nfs/dbraw/zinc/03/57/28/147035728.db2.gz PGTLWKDGHKXPNX-KGLIPLIRSA-N 1 0 319.405 2.848 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(CNCc3ccccc3F)nc2c1 ZINC000354453288 147044278 /nfs/dbraw/zinc/04/42/78/147044278.db2.gz VBZRLUOFMHCYMD-UHFFFAOYSA-N 1 0 300.293 2.900 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000355578045 147371711 /nfs/dbraw/zinc/37/17/11/147371711.db2.gz FFNYCBQGAKNQDQ-QWHCGFSZSA-N 1 0 320.393 2.816 20 5 DFBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000356222822 147609300 /nfs/dbraw/zinc/60/93/00/147609300.db2.gz SZPJKKVOFZJQJF-UHFFFAOYSA-N 1 0 310.373 2.850 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000350023319 285992077 /nfs/dbraw/zinc/99/20/77/285992077.db2.gz ZEDLANKSPCBMPY-KRWDZBQOSA-N 1 0 320.389 2.673 20 5 DFBDRO CSC1(CNc2ccc(F)cc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357576562 148044719 /nfs/dbraw/zinc/04/47/19/148044719.db2.gz BWQYVHYMUNEKEY-UHFFFAOYSA-N 1 0 313.398 2.973 20 5 DFBDRO CCN1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288982 286025009 /nfs/dbraw/zinc/02/50/09/286025009.db2.gz PVSRIDYFDQRNRU-RISCZKNCSA-N 1 0 311.813 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)n1 ZINC000359091729 148554044 /nfs/dbraw/zinc/55/40/44/148554044.db2.gz FKSGTNLVHSCYEQ-AWEZNQCLSA-N 1 0 306.410 2.996 20 5 DFBDRO Cc1ccc(-c2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023331 149011154 /nfs/dbraw/zinc/01/11/54/149011154.db2.gz UYZHCGMWKCOHFV-PWSUYJOCSA-N 1 0 302.334 2.618 20 5 DFBDRO C[C@H](O)C[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361026029 149011164 /nfs/dbraw/zinc/01/11/64/149011164.db2.gz GZEKWIYGIMGHRR-QWRGUYRKSA-N 1 0 321.402 2.967 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000361054385 149018572 /nfs/dbraw/zinc/01/85/72/149018572.db2.gz BHHFODUGIYWCOR-ZDUSSCGKSA-N 1 0 309.414 2.509 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000361467337 149123105 /nfs/dbraw/zinc/12/31/05/149123105.db2.gz HSCVQUANJKBAAG-GJZGRUSLSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CCC1 ZINC000361481893 149126968 /nfs/dbraw/zinc/12/69/68/149126968.db2.gz RXNDAKFPRRPKSA-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854706 149237988 /nfs/dbraw/zinc/23/79/88/149237988.db2.gz AZFCWXWINRUOTB-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO COc1cc(C[N@H+](CCO)CC2CCCCC2)ccc1[N+](=O)[O-] ZINC000362600392 149320588 /nfs/dbraw/zinc/32/05/88/149320588.db2.gz GJROWFPZYCRQSM-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)c1cccc([N+](=O)[O-])c1 ZINC000371198097 150000975 /nfs/dbraw/zinc/00/09/75/150000975.db2.gz ZZRCYSZCRWILBQ-HZPDHXFCSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1noc(C2(C)CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)n1 ZINC000371573261 150066256 /nfs/dbraw/zinc/06/62/56/150066256.db2.gz TUZKQEYGTJFFEY-UHFFFAOYSA-N 1 0 316.361 2.840 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000371826061 150101812 /nfs/dbraw/zinc/10/18/12/150101812.db2.gz CUALZLMOBIDHJY-AWEZNQCLSA-N 1 0 318.352 2.675 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372197555 150148689 /nfs/dbraw/zinc/14/86/89/150148689.db2.gz QAODTWGNEJLPCV-AWEZNQCLSA-N 1 0 320.389 2.927 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000372209427 150149917 /nfs/dbraw/zinc/14/99/17/150149917.db2.gz BWBKXULMBYNXLQ-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000351604771 286166973 /nfs/dbraw/zinc/16/69/73/286166973.db2.gz WKUCMPBJEAUPHP-CYBMUJFWSA-N 1 0 306.362 2.713 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000372873978 150195028 /nfs/dbraw/zinc/19/50/28/150195028.db2.gz UUBICBMEZDRQFA-FEAKQIBJSA-N 1 0 317.389 2.551 20 5 DFBDRO COc1ccc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000351627299 286174439 /nfs/dbraw/zinc/17/44/39/286174439.db2.gz GCVASUWEQVPJAP-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000373238237 150252455 /nfs/dbraw/zinc/25/24/55/150252455.db2.gz YPNAWSUEDJHSHA-UHFFFAOYSA-N 1 0 300.362 2.671 20 5 DFBDRO CCOc1cc(C[N@H+](CCO)[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351633768 286176632 /nfs/dbraw/zinc/17/66/32/286176632.db2.gz LYIXVWXQCRNDOB-ZFWWWQNUSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@H]1[C@H](Cc2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374038838 150296678 /nfs/dbraw/zinc/29/66/78/150296678.db2.gz BTONPGRJGGEQQR-ZFWWWQNUSA-N 1 0 314.389 2.781 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000374302761 150341081 /nfs/dbraw/zinc/34/10/81/150341081.db2.gz QXWULKACLTZGHP-CYBMUJFWSA-N 1 0 303.362 2.574 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375029360 150387822 /nfs/dbraw/zinc/38/78/22/150387822.db2.gz HFIVIPHJLRFXLW-CZUORRHYSA-N 1 0 319.405 2.520 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000351724341 286203211 /nfs/dbraw/zinc/20/32/11/286203211.db2.gz RACVIWDMLGOOLK-INIZCTEOSA-N 1 0 300.362 2.670 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351716969 286201307 /nfs/dbraw/zinc/20/13/07/286201307.db2.gz BZDRBMYDCZOKOX-WDEREUQCSA-N 1 0 313.348 2.788 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351862505 286233966 /nfs/dbraw/zinc/23/39/66/286233966.db2.gz PRHJYUWBTRMJSP-CHWSQXEVSA-N 1 0 307.394 2.551 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1[C@H]1CCCO1 ZINC000351958041 286255557 /nfs/dbraw/zinc/25/55/57/286255557.db2.gz LYXFVSPNHAXUIK-HZPDHXFCSA-N 1 0 320.389 2.863 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000352280482 286335544 /nfs/dbraw/zinc/33/55/44/286335544.db2.gz RPQBEDPNUCVKQP-AWEZNQCLSA-N 1 0 307.394 2.720 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352358202 286352345 /nfs/dbraw/zinc/35/23/45/286352345.db2.gz WKOGDXPYGYCNEP-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])[C@@H](C)C[N@@H+]1C ZINC000352358199 286352383 /nfs/dbraw/zinc/35/23/83/286352383.db2.gz WKOGDXPYGYCNEP-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(CC[NH3+])Cc1ccccc1 ZINC000261541701 286384130 /nfs/dbraw/zinc/38/41/30/286384130.db2.gz GCYLHXONUAPEBG-UHFFFAOYSA-N 1 0 315.373 2.564 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000371529543 292296595 /nfs/dbraw/zinc/29/65/95/292296595.db2.gz SQHQSYYBCBXCDR-ZQIUZPCESA-N 1 0 303.406 2.990 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428651304 296709676 /nfs/dbraw/zinc/70/96/76/296709676.db2.gz RHVQHHDHTCYDJU-NSHDSACASA-N 1 0 302.321 2.824 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000352890107 286495159 /nfs/dbraw/zinc/49/51/59/286495159.db2.gz ZZHPDILWWACTRS-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO CC(C)(C)[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353133561 286559149 /nfs/dbraw/zinc/55/91/49/286559149.db2.gz GAOMVSCHSJAIPI-ZFWWWQNUSA-N 1 0 323.368 2.517 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH+](C2CCC2)C2CCC2)c1 ZINC000429156467 296733311 /nfs/dbraw/zinc/73/33/11/296733311.db2.gz FJJWOMCOVRUART-MRXNPFEDSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1cc(C)cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000183475672 158020370 /nfs/dbraw/zinc/02/03/70/158020370.db2.gz IINZQRQBEJVFDG-HNNXBMFYSA-N 1 0 314.389 2.898 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000247497230 158140611 /nfs/dbraw/zinc/14/06/11/158140611.db2.gz USRCIZFKXWJAMT-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247981213 158155531 /nfs/dbraw/zinc/15/55/31/158155531.db2.gz IIJYDGHPNBNZJT-WMLDXEAASA-N 1 0 320.389 2.601 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248747799 158200197 /nfs/dbraw/zinc/20/01/97/158200197.db2.gz BIFZJEJWRXAFJC-SWLSCSKDSA-N 1 0 321.333 2.504 20 5 DFBDRO Cc1cc(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)on1 ZINC000343934550 158224294 /nfs/dbraw/zinc/22/42/94/158224294.db2.gz FYCRZJCDCXJFPC-UHFFFAOYSA-N 1 0 312.329 2.824 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H]1C ZINC000355156700 158287370 /nfs/dbraw/zinc/28/73/70/158287370.db2.gz FFLOIIAUEPJMSY-OSAQELSMSA-N 1 0 320.389 2.971 20 5 DFBDRO COc1cc(C[NH2+]CC2(C(F)F)CC2)c([N+](=O)[O-])cc1OC ZINC000355163450 158288076 /nfs/dbraw/zinc/28/80/76/158288076.db2.gz YBCTUTKYLDCWPE-UHFFFAOYSA-N 1 0 316.304 2.747 20 5 DFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355162013 158288129 /nfs/dbraw/zinc/28/81/29/158288129.db2.gz KPKJQFGYMUQBRT-WCQYABFASA-N 1 0 318.377 2.766 20 5 DFBDRO CCOCCO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355208866 158298629 /nfs/dbraw/zinc/29/86/29/158298629.db2.gz ICBMKZLSXGZAIE-BIENSFFJSA-N 1 0 320.389 2.735 20 5 DFBDRO CC[C@@H](C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000265655714 286744582 /nfs/dbraw/zinc/74/45/82/286744582.db2.gz ZWIJQXYSCAOVLG-DOMZBBRYSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000053711677 425888582 /nfs/dbraw/zinc/88/85/82/425888582.db2.gz JNUSGEQZONNMII-DTORHVGOSA-N 1 0 314.183 2.544 20 5 DFBDRO C[NH+](C)[C@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cn3)cccc21 ZINC000432940760 296892439 /nfs/dbraw/zinc/89/24/39/296892439.db2.gz SQDINKDZTLTRJU-ZDUSSCGKSA-N 1 0 315.333 2.514 20 5 DFBDRO CC[C@H]([NH2+][C@H](COC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000433005349 296894586 /nfs/dbraw/zinc/89/45/86/296894586.db2.gz BJAPBSKYQGFZBW-XHSDSOJGSA-N 1 0 308.378 2.830 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000132424277 196254206 /nfs/dbraw/zinc/25/42/06/196254206.db2.gz RUMBADUZCATMKH-AWEZNQCLSA-N 1 0 308.378 2.909 20 5 DFBDRO Cn1ccc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433236662 296902113 /nfs/dbraw/zinc/90/21/13/296902113.db2.gz ZUKNNBDUBUQBSD-MRXNPFEDSA-N 1 0 314.389 2.883 20 5 DFBDRO COCCOC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288325 296904384 /nfs/dbraw/zinc/90/43/84/296904384.db2.gz RILKBCDHMYZDLB-BLLLJJGKSA-N 1 0 322.405 2.958 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000296389344 225822927 /nfs/dbraw/zinc/82/29/27/225822927.db2.gz UFIKPQXPLJQKMX-APHBMKBZSA-N 1 0 318.373 2.521 20 5 DFBDRO Cc1cc(NC[C@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299393438 229094361 /nfs/dbraw/zinc/09/43/61/229094361.db2.gz OUYFBGIVVUBHKV-LBPRGKRZSA-N 1 0 315.377 2.722 20 5 DFBDRO Cc1cc(NC[C@@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000299393435 229094387 /nfs/dbraw/zinc/09/43/87/229094387.db2.gz OUYFBGIVVUBHKV-GFCCVEGCSA-N 1 0 315.377 2.722 20 5 DFBDRO Cn1cc(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cn1 ZINC000299605635 229253951 /nfs/dbraw/zinc/25/39/51/229253951.db2.gz NKYKJYRHPUXJLX-UHFFFAOYSA-N 1 0 314.389 2.750 20 5 DFBDRO Cc1cc(NC[C@@H](O)c2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302110474 230099027 /nfs/dbraw/zinc/09/90/27/230099027.db2.gz ZKLRSSVKEKXUMW-QGZVFWFLSA-N 1 0 324.340 2.992 20 5 DFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124508523 425923466 /nfs/dbraw/zinc/92/34/66/425923466.db2.gz SPDYQOZTCCFBRR-CXAGYDPISA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000069043612 425927018 /nfs/dbraw/zinc/92/70/18/425927018.db2.gz SPZJVJFLUHPDGL-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000027771152 267390909 /nfs/dbraw/zinc/39/09/09/267390909.db2.gz NKJJOIJEZHYFPQ-ATWMFIQVSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184169929 267767762 /nfs/dbraw/zinc/76/77/62/267767762.db2.gz PFCMRXWBDFTQOW-UHFFFAOYSA-N 1 0 313.357 2.504 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000012670769 425735290 /nfs/dbraw/zinc/73/52/90/425735290.db2.gz MAQAAHDQKDFUJL-QWRGUYRKSA-N 1 0 309.366 2.565 20 5 DFBDRO COC(=O)N1CCC([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000186365867 267814834 /nfs/dbraw/zinc/81/48/34/267814834.db2.gz XMSLPYMVNJKAFP-GFCCVEGCSA-N 1 0 321.377 2.551 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)OCCO2 ZINC000015304688 425781450 /nfs/dbraw/zinc/78/14/50/425781450.db2.gz ILDQVXKHFUSBGR-UHFFFAOYSA-N 1 0 314.341 2.998 20 5 DFBDRO O=[N+]([O-])c1cnc(NCCc2nc3cc(F)ccc3[nH]2)s1 ZINC000192477042 268038157 /nfs/dbraw/zinc/03/81/57/268038157.db2.gz GCPLQSOOSJNSTN-UHFFFAOYSA-N 1 0 307.310 2.721 20 5 DFBDRO CSC[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192891539 268053106 /nfs/dbraw/zinc/05/31/06/268053106.db2.gz ZFEGAWBIAOTULJ-WFASDCNBSA-N 1 0 310.419 2.676 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000194313258 268097700 /nfs/dbraw/zinc/09/77/00/268097700.db2.gz XDDFJAMQTUWRFT-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO C[NH+](C)Cc1cccc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000047452854 425869887 /nfs/dbraw/zinc/86/98/87/425869887.db2.gz GMDVWEFFKHLHQD-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000245455933 268164258 /nfs/dbraw/zinc/16/42/58/268164258.db2.gz STWOHZFODOIAMV-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1C ZINC000248368039 268165812 /nfs/dbraw/zinc/16/58/12/268165812.db2.gz USXBKUXMPMUUFF-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000269004511 268187278 /nfs/dbraw/zinc/18/72/78/268187278.db2.gz ZEAKEGZPAMPEQN-DLBZAZTESA-N 1 0 319.405 2.775 20 5 DFBDRO Cc1cc(NCCc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272870724 268253554 /nfs/dbraw/zinc/25/35/54/268253554.db2.gz SNGBEWKVORKCBZ-UHFFFAOYSA-N 1 0 311.345 2.840 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000296381393 268304617 /nfs/dbraw/zinc/30/46/17/268304617.db2.gz SCLZASBAVXKBJI-INIZCTEOSA-N 1 0 318.377 2.544 20 5 DFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309916272 268336548 /nfs/dbraw/zinc/33/65/48/268336548.db2.gz UKDVRRWZBMSKLU-VXGBXAGGSA-N 1 0 323.393 2.986 20 5 DFBDRO COc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000314534526 268341577 /nfs/dbraw/zinc/34/15/77/268341577.db2.gz HWQJCMVWCMUKET-UHFFFAOYSA-N 1 0 302.330 2.772 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000324230024 268350848 /nfs/dbraw/zinc/35/08/48/268350848.db2.gz DVYMQZLPMGUPLB-LSDHHAIUSA-N 1 0 313.357 2.535 20 5 DFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000330535374 268353523 /nfs/dbraw/zinc/35/35/23/268353523.db2.gz ORCNMUGGWADLEY-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO CCOCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000107681169 425999589 /nfs/dbraw/zinc/99/95/89/425999589.db2.gz SFWRKIANNIXQBX-UHFFFAOYSA-N 1 0 323.393 2.590 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158545032 425943860 /nfs/dbraw/zinc/94/38/60/425943860.db2.gz LJQCJGAHHNUTMV-DOMZBBRYSA-N 1 0 307.369 2.650 20 5 DFBDRO COCCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000159193942 425956118 /nfs/dbraw/zinc/95/61/18/425956118.db2.gz XHUOKXGOHYDUKR-AWEZNQCLSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1nccn1CCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000125219129 425960374 /nfs/dbraw/zinc/96/03/74/425960374.db2.gz QIVRASOXZIGNKF-UHFFFAOYSA-N 1 0 314.389 2.938 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000104389147 425964423 /nfs/dbraw/zinc/96/44/23/425964423.db2.gz IPILDMWKJMPEIM-WMADIVHISA-N 1 0 323.368 2.594 20 5 DFBDRO C[N@H+](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000104773271 425965506 /nfs/dbraw/zinc/96/55/06/425965506.db2.gz JYTZSSVKFMXPGF-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000161875164 426043299 /nfs/dbraw/zinc/04/32/99/426043299.db2.gz FAUGXTJYZCYVCG-UKRRQHHQSA-N 1 0 316.405 2.751 20 5 DFBDRO Cc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000161875306 426043929 /nfs/dbraw/zinc/04/39/29/426043929.db2.gz FAUGXTJYZCYVCG-HIFRSBDPSA-N 1 0 316.405 2.751 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCC(O)CC3)o2)c1 ZINC000162258557 426057795 /nfs/dbraw/zinc/05/77/95/426057795.db2.gz CSYZHFMGSGTPFU-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000112080902 426064319 /nfs/dbraw/zinc/06/43/19/426064319.db2.gz FMPGUGBNUPLJJY-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)ccc1[N+](=O)[O-] ZINC000071951605 426006526 /nfs/dbraw/zinc/00/65/26/426006526.db2.gz ALYYZCFIWLHGLQ-QGZVFWFLSA-N 1 0 320.437 2.587 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000072009964 426007731 /nfs/dbraw/zinc/00/77/31/426007731.db2.gz XVCYJJVCZZZEDM-CQSZACIVSA-N 1 0 319.405 2.979 20 5 DFBDRO COc1ccc(CN2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000108371778 426015022 /nfs/dbraw/zinc/01/50/22/426015022.db2.gz YSYQLCHPDKQSCE-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO CC1(C)CCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000112702637 426089316 /nfs/dbraw/zinc/08/93/16/426089316.db2.gz GVZLAIUVMNMCII-OAHLLOKOSA-N 1 0 317.389 2.822 20 5 DFBDRO CC1(C)CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000112702639 426089482 /nfs/dbraw/zinc/08/94/82/426089482.db2.gz GVZLAIUVMNMCII-HNNXBMFYSA-N 1 0 317.389 2.822 20 5 DFBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000163234652 426093716 /nfs/dbraw/zinc/09/37/16/426093716.db2.gz XJXGHUGXDMBEIR-KMFMINBZSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000112983351 426100741 /nfs/dbraw/zinc/10/07/41/426100741.db2.gz VITADLNMHDYMEN-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000163542676 426103026 /nfs/dbraw/zinc/10/30/26/426103026.db2.gz FNCAMCSZFRANGO-AWEZNQCLSA-N 1 0 319.405 2.693 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113198509 426105642 /nfs/dbraw/zinc/10/56/42/426105642.db2.gz BKLVVLHMVPVXFT-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000113198512 426106229 /nfs/dbraw/zinc/10/62/29/426106229.db2.gz BKLVVLHMVPVXFT-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000113938317 426124185 /nfs/dbraw/zinc/12/41/85/426124185.db2.gz HQDPPWQVPYGTOV-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000114459895 426136364 /nfs/dbraw/zinc/13/63/64/426136364.db2.gz JIUPHKUQLHBXOZ-JKSUJKDBSA-N 1 0 308.378 2.599 20 5 DFBDRO CCC[N@@H+]1CCCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000112408620 426076910 /nfs/dbraw/zinc/07/69/10/426076910.db2.gz SPTLINPWKOOBNI-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162827427 426079154 /nfs/dbraw/zinc/07/91/54/426079154.db2.gz NCSKKBBTOZNXFV-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1nccs1 ZINC000112532144 426081627 /nfs/dbraw/zinc/08/16/27/426081627.db2.gz HNJWHIKFIWIIMC-UWVGGRQHSA-N 1 0 320.374 2.729 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000162965249 426085480 /nfs/dbraw/zinc/08/54/80/426085480.db2.gz IMBQEIOAMBZRGN-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CC1CCC([NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 ZINC000115255264 426158398 /nfs/dbraw/zinc/15/83/98/426158398.db2.gz GPHDJOSVDITUEA-UHFFFAOYSA-N 1 0 321.377 2.524 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000078510235 426172751 /nfs/dbraw/zinc/17/27/51/426172751.db2.gz JYGYIUAWNJZQEO-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(OC(C)(C)C)c2)C1 ZINC000133357121 426175156 /nfs/dbraw/zinc/17/51/56/426175156.db2.gz RTYKSMTVHNLUSI-ZDUSSCGKSA-N 1 0 307.394 2.912 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000133469244 426179192 /nfs/dbraw/zinc/17/91/92/426179192.db2.gz SJBYASBXQZEOJS-HUUCEWRRSA-N 1 0 300.362 2.717 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000173097008 426234402 /nfs/dbraw/zinc/23/44/02/426234402.db2.gz MFFPVQKVFXAQOA-KBPBESRZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000173554345 426242476 /nfs/dbraw/zinc/24/24/76/426242476.db2.gz AVEVOUHBHDNJRL-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)CC1CC1 ZINC000117341610 426212151 /nfs/dbraw/zinc/21/21/51/426212151.db2.gz ZUPWTOPQDJMMFY-UHFFFAOYSA-N 1 0 319.361 2.625 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC1CC1 ZINC000135311908 426213174 /nfs/dbraw/zinc/21/31/74/426213174.db2.gz WELZWLBTEDHQQZ-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171807594 426213827 /nfs/dbraw/zinc/21/38/27/426213827.db2.gz NQPKZMLGKMTIEF-NSHDSACASA-N 1 0 324.768 2.560 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000089593760 426297561 /nfs/dbraw/zinc/29/75/61/426297561.db2.gz SXXLJMOHYUZXSI-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000151614233 426303691 /nfs/dbraw/zinc/30/36/91/426303691.db2.gz IJSSNWDCISYTOM-DOMZBBRYSA-N 1 0 318.377 2.543 20 5 DFBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000120977451 426318127 /nfs/dbraw/zinc/31/81/27/426318127.db2.gz OSZDOTZAWUSPRD-SMDDNHRTSA-N 1 0 319.405 2.998 20 5 DFBDRO COc1ccc([C@H](C)[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538212 426327381 /nfs/dbraw/zinc/32/73/81/426327381.db2.gz AIAAWOHFNWLIGT-OLZOCXBDSA-N 1 0 318.377 2.582 20 5 DFBDRO CC[C@@H]([NH2+]CC1CCN(C(C)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151076804 426276254 /nfs/dbraw/zinc/27/62/54/426276254.db2.gz SYXLLDFYRFFIHJ-QGZVFWFLSA-N 1 0 319.405 2.894 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1(CO)CCC1 ZINC000339738061 268877891 /nfs/dbraw/zinc/87/78/91/268877891.db2.gz OMGNYFNVTWNDDJ-MRXNPFEDSA-N 1 0 322.405 2.750 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153657748 426397353 /nfs/dbraw/zinc/39/73/53/426397353.db2.gz CJKBSZBVNVKULP-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1 ZINC000152540539 426345912 /nfs/dbraw/zinc/34/59/12/426345912.db2.gz BRZJUZOWRSUHSC-KRWDZBQOSA-N 1 0 313.357 2.686 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000121772616 426354258 /nfs/dbraw/zinc/35/42/58/426354258.db2.gz VGOXQSLDJIZSFC-HZMBPMFUSA-N 1 0 311.332 2.794 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153223074 426376293 /nfs/dbraw/zinc/37/62/93/426376293.db2.gz ZPFCPGNUKPUGPS-UPJWGTAASA-N 1 0 303.362 2.654 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272227 426378003 /nfs/dbraw/zinc/37/80/03/426378003.db2.gz VVUGLXQFVLRSNQ-PBHICJAKSA-N 1 0 321.421 2.604 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000153593071 426393325 /nfs/dbraw/zinc/39/33/25/426393325.db2.gz CNRTVOJWTYMWIG-UHFFFAOYSA-N 1 0 324.812 2.955 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000153814064 426407269 /nfs/dbraw/zinc/40/72/69/426407269.db2.gz UVAZISFKUBEPAE-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO COC[C@H](Cc1ccccc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123232058 426421545 /nfs/dbraw/zinc/42/15/45/426421545.db2.gz ZUJCPBCPSZIUPO-KRWDZBQOSA-N 1 0 314.385 2.985 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123396556 426430967 /nfs/dbraw/zinc/43/09/67/426430967.db2.gz AKSDYYMVZKMILB-PBHICJAKSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177082400 426441461 /nfs/dbraw/zinc/44/14/61/426441461.db2.gz YDUWITMSPBEZLV-UWVGGRQHSA-N 1 0 323.780 2.603 20 5 DFBDRO CC[C@@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123626121 426443834 /nfs/dbraw/zinc/44/38/34/426443834.db2.gz SGAZFNHENFBQII-MRXNPFEDSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000340880048 269026388 /nfs/dbraw/zinc/02/63/88/269026388.db2.gz LCTCBSCCGKRVOV-HIFRSBDPSA-N 1 0 307.369 2.793 20 5 DFBDRO CC[NH+]1CCC(N(C)c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000341420413 269074367 /nfs/dbraw/zinc/07/43/67/269074367.db2.gz RWBJABYRTUKLIA-UHFFFAOYSA-N 1 0 321.406 2.520 20 5 DFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000123762974 426453235 /nfs/dbraw/zinc/45/32/35/426453235.db2.gz DBQNSURNRICBOH-CQSZACIVSA-N 1 0 314.389 2.783 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](CC(C)C)CN(C)C)cc1[N+](=O)[O-] ZINC000098124488 426479467 /nfs/dbraw/zinc/47/94/67/426479467.db2.gz RVRZSPXMYZQFEA-AWEZNQCLSA-N 1 0 309.410 2.669 20 5 DFBDRO CCCC(=O)N[C@@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000101563569 426484859 /nfs/dbraw/zinc/48/48/59/426484859.db2.gz GSVNXACVVWPHBD-OAHLLOKOSA-N 1 0 319.405 2.784 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C[N@H+](C)CC)C1 ZINC000177690569 426506127 /nfs/dbraw/zinc/50/61/27/426506127.db2.gz ARHLBEPRAWMGFM-CQSZACIVSA-N 1 0 321.421 2.767 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000186394419 426519070 /nfs/dbraw/zinc/51/90/70/426519070.db2.gz OIHBZLRZQKWXGU-HZPDHXFCSA-N 1 0 320.389 2.659 20 5 DFBDRO COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000186391063 426519869 /nfs/dbraw/zinc/51/98/69/426519869.db2.gz DWIBNJDHLRIXEQ-LBPRGKRZSA-N 1 0 321.377 2.551 20 5 DFBDRO C[C@@H]([NH2+][C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000272481686 426535879 /nfs/dbraw/zinc/53/58/79/426535879.db2.gz CEMMHGQYXRDLMP-ABAIWWIYSA-N 1 0 300.362 2.806 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186551834 426548828 /nfs/dbraw/zinc/54/88/28/426548828.db2.gz YUFIMQUTTIVAIP-JTQLQIEISA-N 1 0 323.780 2.605 20 5 DFBDRO CCC[C@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288925063 426553051 /nfs/dbraw/zinc/55/30/51/426553051.db2.gz VJLGEUAEMFZDJW-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177528542 426492605 /nfs/dbraw/zinc/49/26/05/426492605.db2.gz ANTOIKXDXUEZRI-KBPBESRZSA-N 1 0 317.389 2.964 20 5 DFBDRO CC(C)[C@@](C)(O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178114800 426574015 /nfs/dbraw/zinc/57/40/15/426574015.db2.gz YFUWZZVNYVOFOH-WBVHZDCISA-N 1 0 306.406 2.913 20 5 DFBDRO CCCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000273028603 426579026 /nfs/dbraw/zinc/57/90/26/426579026.db2.gz MGKWKJZGDMSKQU-CQSZACIVSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCCC1)C1CC1 ZINC000178307489 426603424 /nfs/dbraw/zinc/60/34/24/426603424.db2.gz WPBFLDRTEREPQR-INIZCTEOSA-N 1 0 303.406 2.601 20 5 DFBDRO C[N@H+](CCC(N)=O)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000289245682 426613439 /nfs/dbraw/zinc/61/34/39/426613439.db2.gz DXWSMQXWBFDTQL-UHFFFAOYSA-N 1 0 319.386 2.631 20 5 DFBDRO CC[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])NC(=O)OC(C)(C)C ZINC000227714510 426631647 /nfs/dbraw/zinc/63/16/47/426631647.db2.gz LNVMOPITHVIVEM-CYBMUJFWSA-N 1 0 323.393 2.988 20 5 DFBDRO Cc1cnc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)s1 ZINC000265426310 426634389 /nfs/dbraw/zinc/63/43/89/426634389.db2.gz LHAYUQZTOVYILI-UHFFFAOYSA-N 1 0 318.402 2.682 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccoc1 ZINC000178475308 426637068 /nfs/dbraw/zinc/63/70/68/426637068.db2.gz PENRFOOIJLVAJT-LLVKDONJSA-N 1 0 303.318 2.695 20 5 DFBDRO CCC(=O)c1ccc(N2CCC[N@@H+](CC)CC2)c([N+](=O)[O-])c1 ZINC000280743353 426646521 /nfs/dbraw/zinc/64/65/21/426646521.db2.gz OSJJOPPSYVFPMJ-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO Cn1nc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000187387282 426654765 /nfs/dbraw/zinc/65/47/65/426654765.db2.gz IBTFERHGQWFJIP-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO [NH3+]C[C@@H]1CCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000178568811 426656622 /nfs/dbraw/zinc/65/66/22/426656622.db2.gz UZRXTLSOONHBRJ-ZDUSSCGKSA-N 1 0 305.381 2.809 20 5 DFBDRO COCC[NH2+]CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234668869 426658969 /nfs/dbraw/zinc/65/89/69/426658969.db2.gz JQLAMASFLPZCGF-UHFFFAOYSA-N 1 0 308.165 2.550 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NCCC[N@@H+](C)C(C)C ZINC000273424193 426662069 /nfs/dbraw/zinc/66/20/69/426662069.db2.gz WBATWUIJOSGIIP-WYMLVPIESA-N 1 0 319.405 2.845 20 5 DFBDRO C[NH2+][C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000178597834 426662432 /nfs/dbraw/zinc/66/24/32/426662432.db2.gz BNIJTXCCBNAGTG-NSHDSACASA-N 1 0 319.386 2.634 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674636 426672664 /nfs/dbraw/zinc/67/26/64/426672664.db2.gz QQGXNHXJDSFYQC-CABCVRRESA-N 1 0 305.378 2.645 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@H]2C1 ZINC000273245974 426625847 /nfs/dbraw/zinc/62/58/47/426625847.db2.gz ZQJLDQDKCMTUDF-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)[C@@H]2C1 ZINC000273245970 426626211 /nfs/dbraw/zinc/62/62/11/426626211.db2.gz ZQJLDQDKCMTUDF-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227690398 426629048 /nfs/dbraw/zinc/62/90/48/426629048.db2.gz GXBTVWKQELGRSL-VIFPVBQESA-N 1 0 315.395 2.659 20 5 DFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](C3CCCCC3)CC2)nc1 ZINC000273662728 426705806 /nfs/dbraw/zinc/70/58/06/426705806.db2.gz WHHTXKGHQSVTCB-UHFFFAOYSA-N 1 0 305.382 2.594 20 5 DFBDRO C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000273694338 426710229 /nfs/dbraw/zinc/71/02/29/426710229.db2.gz HNVNRYDUAHFBHL-LLVKDONJSA-N 1 0 314.345 2.547 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000188061956 426719789 /nfs/dbraw/zinc/71/97/89/426719789.db2.gz MMBLUAJXYFEVFD-LBPRGKRZSA-N 1 0 308.378 2.807 20 5 DFBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000290231972 426721083 /nfs/dbraw/zinc/72/10/83/426721083.db2.gz IRQDPOTYXCYCSM-CXMBCZLWSA-N 1 0 314.341 2.740 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000273597821 426693524 /nfs/dbraw/zinc/69/35/24/426693524.db2.gz UPNOVIONLOUXSW-OAHLLOKOSA-N 1 0 303.362 2.716 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000274442876 426769717 /nfs/dbraw/zinc/76/97/17/426769717.db2.gz HQJRQDLQVCBIDZ-FEAKQIBJSA-N 1 0 317.389 2.597 20 5 DFBDRO C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)c1cccc([N+](=O)[O-])c1 ZINC000274449210 426771925 /nfs/dbraw/zinc/77/19/25/426771925.db2.gz YPOIVENPCVKYDP-LLVKDONJSA-N 1 0 318.402 2.790 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000290504415 426778621 /nfs/dbraw/zinc/77/86/21/426778621.db2.gz PHATXFWXXSKABE-HUUCEWRRSA-N 1 0 319.405 2.520 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000274521412 426787235 /nfs/dbraw/zinc/78/72/35/426787235.db2.gz SGKHCKUZLGIEJX-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3CCOC3)cs2)c1 ZINC000178994524 426731355 /nfs/dbraw/zinc/73/13/55/426731355.db2.gz MWBMWIOXCTYCBV-NSHDSACASA-N 1 0 305.359 2.597 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000274272542 426734210 /nfs/dbraw/zinc/73/42/10/426734210.db2.gz NASUPGQTECULCU-UHFFFAOYSA-N 1 0 318.377 2.595 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1[N+](=O)[O-] ZINC000290336911 426745123 /nfs/dbraw/zinc/74/51/23/426745123.db2.gz JJPNNCBLOBIUHW-ZDUSSCGKSA-N 1 0 317.389 2.709 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245541857 426749613 /nfs/dbraw/zinc/74/96/13/426749613.db2.gz JPUBNXXCPBBDAK-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669104 426760439 /nfs/dbraw/zinc/76/04/39/426760439.db2.gz ONNBDJRSIMFYGV-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000188976219 426804730 /nfs/dbraw/zinc/80/47/30/426804730.db2.gz QZBKBZJRCRSIJN-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000266995698 426808484 /nfs/dbraw/zinc/80/84/84/426808484.db2.gz WXOKOYFHEYUYHK-KRWDZBQOSA-N 1 0 320.437 2.587 20 5 DFBDRO C[NH+](C)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])c1ccsc1 ZINC000282224406 426857752 /nfs/dbraw/zinc/85/77/52/426857752.db2.gz OLQLISLQFFMKTQ-CQSZACIVSA-N 1 0 306.391 2.953 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC(OCCC[NH+](C)C)CC1 ZINC000267142769 426830906 /nfs/dbraw/zinc/83/09/06/426830906.db2.gz ADFHHFJCTOKEQP-UHFFFAOYSA-N 1 0 321.421 2.840 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000290834535 426850806 /nfs/dbraw/zinc/85/08/06/426850806.db2.gz VACCIMQQEVSMAA-WCQYABFASA-N 1 0 305.378 2.778 20 5 DFBDRO C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000246676581 426853049 /nfs/dbraw/zinc/85/30/49/426853049.db2.gz LOIOEGOXVYSCFD-STQMWFEESA-N 1 0 305.378 2.901 20 5 DFBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000282204593 426853786 /nfs/dbraw/zinc/85/37/86/426853786.db2.gz ODCAXPSTUWOSKL-DOMZBBRYSA-N 1 0 308.378 2.898 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000267249628 426854634 /nfs/dbraw/zinc/85/46/34/426854634.db2.gz ZGCPJMYPXSHPFU-BZNIZROVSA-N 1 0 304.321 2.946 20 5 DFBDRO CN(C)C(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000295183755 426854940 /nfs/dbraw/zinc/85/49/40/426854940.db2.gz SBJGGRKUPUNTNT-UHFFFAOYSA-N 1 0 323.368 2.615 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])c1 ZINC000266912192 426793965 /nfs/dbraw/zinc/79/39/65/426793965.db2.gz DLLQSYNRFSIBQR-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2ccc(F)cc2)C2CC2)c1 ZINC000266914573 426794588 /nfs/dbraw/zinc/79/45/88/426794588.db2.gz FPOVFMUPSIWDSE-UHFFFAOYSA-N 1 0 318.352 2.638 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000268132712 426923566 /nfs/dbraw/zinc/92/35/66/426923566.db2.gz GCWHIKDOEJUNGH-ZDUSSCGKSA-N 1 0 323.368 2.680 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000267285595 426863699 /nfs/dbraw/zinc/86/36/99/426863699.db2.gz WKISJEVGYILRIO-CYBMUJFWSA-N 1 0 307.394 2.519 20 5 DFBDRO C[C@H]([N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)O ZINC000295221860 426869761 /nfs/dbraw/zinc/86/97/61/426869761.db2.gz VSUNUOOHVHNKDW-NSHDSACASA-N 1 0 319.361 2.841 20 5 DFBDRO C[C@H](CO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305852006 426913527 /nfs/dbraw/zinc/91/35/27/426913527.db2.gz VGRFWLIQGVYJNS-GUYCJALGSA-N 1 0 300.358 2.902 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000275946071 426955540 /nfs/dbraw/zinc/95/55/40/426955540.db2.gz ZATDGQYAZUNQHT-LBPRGKRZSA-N 1 0 307.394 2.788 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181505593 426957804 /nfs/dbraw/zinc/95/78/04/426957804.db2.gz YDHOPRZLEJAMEW-LLVKDONJSA-N 1 0 315.329 2.590 20 5 DFBDRO C[C@@](O)(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000189839714 426964351 /nfs/dbraw/zinc/96/43/51/426964351.db2.gz NPHRDPDISRJBOX-QGZVFWFLSA-N 1 0 300.358 2.982 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000268256061 426965996 /nfs/dbraw/zinc/96/59/96/426965996.db2.gz QIIYVNIVMVFYKS-MLGOLLRUSA-N 1 0 307.394 2.882 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247975896 426971436 /nfs/dbraw/zinc/97/14/36/426971436.db2.gz KVPPFBMDILMLDL-WMLDXEAASA-N 1 0 320.389 2.730 20 5 DFBDRO C[C@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000268282244 426974657 /nfs/dbraw/zinc/97/46/57/426974657.db2.gz WPKCVSIIRJAPEU-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@@H]1[NH+](C)C ZINC000268289944 426978295 /nfs/dbraw/zinc/97/82/95/426978295.db2.gz YKQKWUUGQVVKOA-SKDRFNHKSA-N 1 0 315.320 2.583 20 5 DFBDRO Cc1cnc(N(CC[NH+](C)C)Cc2cccs2)c([N+](=O)[O-])c1 ZINC000268296710 426979315 /nfs/dbraw/zinc/97/93/15/426979315.db2.gz GCFSCCDNDNXNBE-UHFFFAOYSA-N 1 0 320.418 2.928 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000291765628 426981367 /nfs/dbraw/zinc/98/13/67/426981367.db2.gz DLUFEBYHARFUDG-LLVKDONJSA-N 1 0 318.377 2.535 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@H]1C ZINC000248337361 426991150 /nfs/dbraw/zinc/99/11/50/426991150.db2.gz HJTWAAFDFWKQRF-QWRGUYRKSA-N 1 0 302.334 2.875 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000295391432 426938000 /nfs/dbraw/zinc/93/80/00/426938000.db2.gz QMVLSVQIZPVAKN-OBJOEFQTSA-N 1 0 305.378 2.502 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248357899 426993508 /nfs/dbraw/zinc/99/35/08/426993508.db2.gz QBKPBNOWQWXUGW-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1F ZINC000181339968 426938632 /nfs/dbraw/zinc/93/86/32/426938632.db2.gz MYWJYCPFPMGOQP-LBPRGKRZSA-N 1 0 319.336 2.555 20 5 DFBDRO CS[C@H]1CCN([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296042523 427055618 /nfs/dbraw/zinc/05/56/18/427055618.db2.gz AOGWSRZKICWSSA-RYUDHWBXSA-N 1 0 323.418 2.668 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000248895408 427060848 /nfs/dbraw/zinc/06/08/48/427060848.db2.gz LGAJRMBGMIAAJY-RLWBPUTGSA-N 1 0 318.373 2.739 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469696 427003710 /nfs/dbraw/zinc/00/37/10/427003710.db2.gz UUMRRSJAMKVJHX-QLFBSQMISA-N 1 0 322.405 2.845 20 5 DFBDRO O=C(CCN(CC(F)F)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000283473318 427020698 /nfs/dbraw/zinc/02/06/98/427020698.db2.gz ZPGAMTIWGVHMJZ-UHFFFAOYSA-N 1 0 313.304 2.653 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000248667313 427028937 /nfs/dbraw/zinc/02/89/37/427028937.db2.gz PIDOOHNEWWNMIN-VXGBXAGGSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)CC1 ZINC000295974132 427032095 /nfs/dbraw/zinc/03/20/95/427032095.db2.gz KLPPZOHTSUNXJC-LBPRGKRZSA-N 1 0 305.378 2.718 20 5 DFBDRO C[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000291941114 427033198 /nfs/dbraw/zinc/03/31/98/427033198.db2.gz MUBYERQGFXHSMU-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510359 427039555 /nfs/dbraw/zinc/03/95/55/427039555.db2.gz UOSSGXWOSYELPS-BXUZGUMPSA-N 1 0 315.377 2.962 20 5 DFBDRO Cc1nc(N2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000268520199 427040678 /nfs/dbraw/zinc/04/06/78/427040678.db2.gz UXARCSVUVFIMIA-AWEZNQCLSA-N 1 0 304.394 2.610 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000190302983 427066743 /nfs/dbraw/zinc/06/67/43/427066743.db2.gz MOCMFOOKPDHZTE-NSHDSACASA-N 1 0 310.354 2.905 20 5 DFBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000296094747 427073339 /nfs/dbraw/zinc/07/33/39/427073339.db2.gz YJCVIAMOQFEQBV-GHMZBOCLSA-N 1 0 303.366 2.805 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C)C1CC1 ZINC000276470921 427076485 /nfs/dbraw/zinc/07/64/85/427076485.db2.gz YPFHSKNCFVMDFW-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(CC)(CO)CC2)ccc1[N+](=O)[O-] ZINC000276962099 427128626 /nfs/dbraw/zinc/12/86/26/427128626.db2.gz VQLJABQQZHXXSC-UHFFFAOYSA-N 1 0 322.405 2.978 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249034478 427080310 /nfs/dbraw/zinc/08/03/10/427080310.db2.gz FTULDJKZNFYGIE-SLEUVZQESA-N 1 0 306.362 2.787 20 5 DFBDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000283884257 427093198 /nfs/dbraw/zinc/09/31/98/427093198.db2.gz CFSAKIZKGKVYET-MRXNPFEDSA-N 1 0 302.378 2.648 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000190415869 427099959 /nfs/dbraw/zinc/09/99/59/427099959.db2.gz DFBLYXDZOOMCJF-IUODEOHRSA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000338026471 427100507 /nfs/dbraw/zinc/10/05/07/427100507.db2.gz HQLWKZASOFBKIU-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000249322747 427106385 /nfs/dbraw/zinc/10/63/85/427106385.db2.gz MBKCDPPHXJZJRH-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000182632955 427117633 /nfs/dbraw/zinc/11/76/33/427117633.db2.gz IAYVNGWVOSRLOH-GFCCVEGCSA-N 1 0 308.378 2.847 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249517255 427122555 /nfs/dbraw/zinc/12/25/55/427122555.db2.gz GRZOEBGNXZSKRW-MCIONIFRSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284047979 427124180 /nfs/dbraw/zinc/12/41/80/427124180.db2.gz KEEPUTZZJNLLAS-LBPRGKRZSA-N 1 0 307.394 2.770 20 5 DFBDRO Cc1noc(CCC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000292193911 427127706 /nfs/dbraw/zinc/12/77/06/427127706.db2.gz RSBZTXPWFMRRQD-UHFFFAOYSA-N 1 0 304.350 2.744 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000284063114 427128106 /nfs/dbraw/zinc/12/81/06/427128106.db2.gz AMBFYXURQFRLHO-WOSRLPQWSA-N 1 0 324.421 2.712 20 5 DFBDRO CC(C)(C)OC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292218640 427134570 /nfs/dbraw/zinc/13/45/70/427134570.db2.gz UVCVRYPQEYUCAQ-GFCCVEGCSA-N 1 0 310.394 2.596 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000182769371 427142997 /nfs/dbraw/zinc/14/29/97/427142997.db2.gz LUWLNEYREIMQOU-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155865 427146121 /nfs/dbraw/zinc/14/61/21/427146121.db2.gz POXGMHMOFZMIMP-BONVTDFDSA-N 1 0 321.402 2.797 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000125755326 271030974 /nfs/dbraw/zinc/03/09/74/271030974.db2.gz BETBXHKAFUKYSW-GFCCVEGCSA-N 1 0 321.377 2.664 20 5 DFBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCO[C@@H]1C1CC1 ZINC000284239903 427162883 /nfs/dbraw/zinc/16/28/83/427162883.db2.gz VOJBALXHGRTQNQ-CABCVRRESA-N 1 0 321.333 2.550 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000175040544 271145272 /nfs/dbraw/zinc/14/52/72/271145272.db2.gz SEWLYBLVTLDALS-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189860147 271207590 /nfs/dbraw/zinc/20/75/90/271207590.db2.gz XRXMUPYBYPPGHD-VXGBXAGGSA-N 1 0 306.284 2.949 20 5 DFBDRO CCc1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000237138800 271244958 /nfs/dbraw/zinc/24/49/58/271244958.db2.gz JUOFGVHAWOJHIM-UHFFFAOYSA-N 1 0 305.378 2.549 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000264677397 271276515 /nfs/dbraw/zinc/27/65/15/271276515.db2.gz WPAWRTXZPAUWBG-LBPRGKRZSA-N 1 0 319.405 2.574 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000270534330 271304994 /nfs/dbraw/zinc/30/49/94/271304994.db2.gz VRGHVBOZJKRUIW-FVQBIDKESA-N 1 0 302.374 2.685 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000293114979 427217368 /nfs/dbraw/zinc/21/73/68/427217368.db2.gz RDOVZGXUZZKDGU-MRXNPFEDSA-N 1 0 310.369 2.964 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000183018700 427180634 /nfs/dbraw/zinc/18/06/34/427180634.db2.gz VVADIJWQXIDTMR-NEPJUHHUSA-N 1 0 323.393 2.956 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000183018665 427180685 /nfs/dbraw/zinc/18/06/85/427180685.db2.gz VVADIJWQXIDTMR-VXGBXAGGSA-N 1 0 323.393 2.956 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000292443578 427181776 /nfs/dbraw/zinc/18/17/76/427181776.db2.gz YMORSEZVOSSADH-LBPRGKRZSA-N 1 0 304.394 2.609 20 5 DFBDRO Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269396580 427186666 /nfs/dbraw/zinc/18/66/66/427186666.db2.gz FAUGXTJYZCYVCG-ZFWWWQNUSA-N 1 0 316.405 2.751 20 5 DFBDRO O=C(C[NH+](C1CCC1)C1CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000292516565 427190106 /nfs/dbraw/zinc/19/01/06/427190106.db2.gz VYBOKGMNKIXAIF-UHFFFAOYSA-N 1 0 303.362 2.940 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000296480147 427195076 /nfs/dbraw/zinc/19/50/76/427195076.db2.gz YHXAYYJKCREQOF-YUELXQCFSA-N 1 0 306.362 2.507 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000183089293 427197401 /nfs/dbraw/zinc/19/74/01/427197401.db2.gz REUIGCBXTCNVQF-VXGBXAGGSA-N 1 0 323.393 2.956 20 5 DFBDRO Cc1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440635 427197519 /nfs/dbraw/zinc/19/75/19/427197519.db2.gz SMPXSYBHOYAFCL-ZFWWWQNUSA-N 1 0 316.405 2.751 20 5 DFBDRO CC(C)C1([NH2+]CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000292979306 427209656 /nfs/dbraw/zinc/20/96/56/427209656.db2.gz LDFRKAHSHKREGO-UHFFFAOYSA-N 1 0 311.769 2.965 20 5 DFBDRO COc1ccnc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285371917 427214227 /nfs/dbraw/zinc/21/42/27/427214227.db2.gz RAAQCPVJFKVKCG-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CC(=O)c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000293135456 427221840 /nfs/dbraw/zinc/22/18/40/427221840.db2.gz SAMWYNROQNEREL-CQSZACIVSA-N 1 0 317.389 2.720 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269591204 427227210 /nfs/dbraw/zinc/22/72/10/427227210.db2.gz CENOTUXMMSXQHY-UHFFFAOYSA-N 1 0 319.361 2.753 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000254943017 427228548 /nfs/dbraw/zinc/22/85/48/427228548.db2.gz YTWOLZMEPBUNTQ-CEKUCVKPSA-N 1 0 317.389 2.549 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccc([N+](=O)[O-])cc1 ZINC000296789944 427235108 /nfs/dbraw/zinc/23/51/08/427235108.db2.gz SSMQUDCZOYRKLM-SMDDNHRTSA-N 1 0 304.346 2.731 20 5 DFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000269627769 427235904 /nfs/dbraw/zinc/23/59/04/427235904.db2.gz DYGVQAYMKXTRSA-MRXNPFEDSA-N 1 0 317.389 2.618 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+](C[C@@H](O)c2cccnc2)C2CC2)c1 ZINC000296825146 427240391 /nfs/dbraw/zinc/24/03/91/427240391.db2.gz RFSYHJIDDIJLRP-QGZVFWFLSA-N 1 0 313.357 2.688 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)c(F)c1 ZINC000330453586 427240802 /nfs/dbraw/zinc/24/08/02/427240802.db2.gz LLZGXKAZDXUHGA-ZDUSSCGKSA-N 1 0 308.353 2.982 20 5 DFBDRO C[N@H+](CCc1ccc(F)cc1)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269673478 427246132 /nfs/dbraw/zinc/24/61/32/427246132.db2.gz OMFNVTZQCQDECZ-KRWDZBQOSA-N 1 0 318.348 2.942 20 5 DFBDRO CC(C)[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000293204124 427246598 /nfs/dbraw/zinc/24/65/98/427246598.db2.gz XBZSJZHTSACTQI-INIZCTEOSA-N 1 0 310.369 2.964 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000183383556 427261912 /nfs/dbraw/zinc/26/19/12/427261912.db2.gz ALQSWHHOFNLHAY-KBPBESRZSA-N 1 0 315.373 2.538 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)Cc1ccccc1 ZINC000338346385 427267548 /nfs/dbraw/zinc/26/75/48/427267548.db2.gz HSKLHNLOBZQGPZ-SFHVURJKSA-N 1 0 314.385 2.673 20 5 DFBDRO CN(CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000338354730 427272423 /nfs/dbraw/zinc/27/24/23/427272423.db2.gz JGOKMHHQXKSVMD-INIZCTEOSA-N 1 0 305.422 2.944 20 5 DFBDRO COCC[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000338352997 427273090 /nfs/dbraw/zinc/27/30/90/427273090.db2.gz WAXOTBZHOFWWDQ-AWEZNQCLSA-N 1 0 323.393 2.574 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000285589252 427281240 /nfs/dbraw/zinc/28/12/40/427281240.db2.gz BEHIBDNBXYAFBM-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000285589233 427282197 /nfs/dbraw/zinc/28/21/97/427282197.db2.gz BEHIBDNBXYAFBM-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1nnsc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293366266 427301066 /nfs/dbraw/zinc/30/10/66/427301066.db2.gz HOZPDLHTGNBJKM-SNVBAGLBSA-N 1 0 306.391 2.866 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000191298194 427311371 /nfs/dbraw/zinc/31/13/71/427311371.db2.gz FDRVVYQESWNDOJ-OAHLLOKOSA-N 1 0 317.389 2.652 20 5 DFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000269942852 427312804 /nfs/dbraw/zinc/31/28/04/427312804.db2.gz PIZURQXYESJAPO-OAHLLOKOSA-N 1 0 320.437 2.589 20 5 DFBDRO C[C@@]1(C[NH3+])CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000261768357 427341684 /nfs/dbraw/zinc/34/16/84/427341684.db2.gz VRHUUXOFXGGVGN-LBPRGKRZSA-N 1 0 303.284 2.789 20 5 DFBDRO CN(C)c1cc[nH+]cc1CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000183809129 427345478 /nfs/dbraw/zinc/34/54/78/427345478.db2.gz IUYAFLKNWUZYJG-UHFFFAOYSA-N 1 0 320.780 2.999 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+](CCO)C2CC2)c1 ZINC000293515121 427348160 /nfs/dbraw/zinc/34/81/60/427348160.db2.gz OOBSINUNIGDXFR-UHFFFAOYSA-N 1 0 304.268 2.570 20 5 DFBDRO CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000331126214 427350589 /nfs/dbraw/zinc/35/05/89/427350589.db2.gz QNBMIHTWEAEZHJ-ZDUSSCGKSA-N 1 0 319.405 2.640 20 5 DFBDRO COCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000338954788 271624850 /nfs/dbraw/zinc/62/48/50/271624850.db2.gz YPKXSDOHYYKYEC-INIZCTEOSA-N 1 0 308.378 2.531 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262789514 427373769 /nfs/dbraw/zinc/37/37/69/427373769.db2.gz MWZBHDRKYMJJMF-SKDRFNHKSA-N 1 0 319.386 2.537 20 5 DFBDRO CC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1 ZINC000293641635 427391161 /nfs/dbraw/zinc/39/11/61/427391161.db2.gz IBLBXSKGKHKKQD-GXTWGEPZSA-N 1 0 306.410 2.702 20 5 DFBDRO [NH3+]CC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000297191328 427354621 /nfs/dbraw/zinc/35/46/21/427354621.db2.gz LYGMSJAWZYLNDR-UHFFFAOYSA-N 1 0 319.386 2.620 20 5 DFBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000277912506 427356386 /nfs/dbraw/zinc/35/63/86/427356386.db2.gz GNKNYGGVLOSIGE-CQSZACIVSA-N 1 0 307.394 2.816 20 5 DFBDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293820936 427451711 /nfs/dbraw/zinc/45/17/11/427451711.db2.gz SBNKSEYXKULPKR-LLVKDONJSA-N 1 0 321.377 2.513 20 5 DFBDRO COCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000293839118 427456826 /nfs/dbraw/zinc/45/68/26/427456826.db2.gz WVHLHEWLIRYJEU-GFCCVEGCSA-N 1 0 323.393 2.574 20 5 DFBDRO Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331615203 427458669 /nfs/dbraw/zinc/45/86/69/427458669.db2.gz MTIFWXXTTVAFMG-UONOGXRCSA-N 1 0 319.365 2.670 20 5 DFBDRO NC(=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000278873713 427483541 /nfs/dbraw/zinc/48/35/41/427483541.db2.gz XGVWEXNEVMVNST-OAHLLOKOSA-N 1 0 317.389 2.608 20 5 DFBDRO CC1(C)NC(=O)CC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000338783292 427485366 /nfs/dbraw/zinc/48/53/66/427485366.db2.gz VAIUTAOAZULCFT-LSDHHAIUSA-N 1 0 317.389 2.619 20 5 DFBDRO Cc1cccc(NC[C@H]2C[N@H+](CC(C)C)CCO2)c1[N+](=O)[O-] ZINC000338637937 427422221 /nfs/dbraw/zinc/42/22/21/427422221.db2.gz ZWVFQYQBNCKAIN-AWEZNQCLSA-N 1 0 307.394 2.672 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](C3CC3)CC1)CCN2 ZINC000278401917 427433196 /nfs/dbraw/zinc/43/31/96/427433196.db2.gz MYDNINKUBCHMJV-UHFFFAOYSA-N 1 0 302.378 2.602 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H](C)[S@@]1=O ZINC000286147029 427437392 /nfs/dbraw/zinc/43/73/92/427437392.db2.gz VTIQSBIYCDOUHH-DAKYAEBGSA-N 1 0 310.419 2.635 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000297731451 427438476 /nfs/dbraw/zinc/43/84/76/427438476.db2.gz TYHBVHMMRJAZGD-ZDUSSCGKSA-N 1 0 322.409 2.639 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000286169832 427444356 /nfs/dbraw/zinc/44/43/56/427444356.db2.gz KAYSFRNNUVMWHO-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000338797203 427495336 /nfs/dbraw/zinc/49/53/36/427495336.db2.gz XRWKQLYQZHITFD-UONOGXRCSA-N 1 0 305.378 2.693 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000271358643 427507771 /nfs/dbraw/zinc/50/77/71/427507771.db2.gz ILILNZTZWKYHFZ-UHFFFAOYSA-N 1 0 315.377 2.710 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286411319 427519281 /nfs/dbraw/zinc/51/92/81/427519281.db2.gz PBXVFXZUJKLXNE-NNQSOWQGSA-N 1 0 317.389 2.859 20 5 DFBDRO C[C@@H](CO)CCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271406925 427527395 /nfs/dbraw/zinc/52/73/95/427527395.db2.gz ABDLBCMWOPETCK-CZUORRHYSA-N 1 0 306.406 2.914 20 5 DFBDRO CC(=O)c1ccc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000286441828 427531525 /nfs/dbraw/zinc/53/15/25/427531525.db2.gz SQYYWJUAYYJZSQ-DOMZBBRYSA-N 1 0 317.389 2.860 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000294055451 427535395 /nfs/dbraw/zinc/53/53/95/427535395.db2.gz YNNFGILYWXJTHG-UHFFFAOYSA-N 1 0 305.378 2.591 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[N@H+](C)C(C)C ZINC000184788680 427539649 /nfs/dbraw/zinc/53/96/49/427539649.db2.gz SAWZUKVDKDGTLE-HNNXBMFYSA-N 1 0 321.421 2.620 20 5 DFBDRO CCOC1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298236539 427545469 /nfs/dbraw/zinc/54/54/69/427545469.db2.gz IHCOMQBGIDRCOB-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271462615 427546374 /nfs/dbraw/zinc/54/63/74/427546374.db2.gz HNEFFLHTYQPLIF-UWJYBYFXSA-N 1 0 306.284 2.947 20 5 DFBDRO C[N@H+](CCNc1ncc([N+](=O)[O-])s1)Cc1ccc(F)cc1 ZINC000192477405 427546741 /nfs/dbraw/zinc/54/67/41/427546741.db2.gz HQUAJPQWIVLHII-UHFFFAOYSA-N 1 0 310.354 2.734 20 5 DFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1 ZINC000338899826 427547369 /nfs/dbraw/zinc/54/73/69/427547369.db2.gz IOGDEQUUZCKCKR-ZANVPECISA-N 1 0 320.374 2.582 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000192503266 427553636 /nfs/dbraw/zinc/55/36/36/427553636.db2.gz PYMZOWYOQREYMF-ZYHUDNBSSA-N 1 0 308.407 2.504 20 5 DFBDRO C[C@]12CC[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298449281 427612443 /nfs/dbraw/zinc/61/24/43/427612443.db2.gz ZPEVMENWQIXHDI-KGLIPLIRSA-N 1 0 312.316 2.951 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000192553801 427561692 /nfs/dbraw/zinc/56/16/92/427561692.db2.gz JKJVVZZEHYHXEB-CYBMUJFWSA-N 1 0 318.402 2.985 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)c(Cl)c1 ZINC000332274646 427566413 /nfs/dbraw/zinc/56/64/13/427566413.db2.gz XERVXNGGKNSTQG-ZKYQVNSYSA-N 1 0 310.781 2.841 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271606014 427581408 /nfs/dbraw/zinc/58/14/08/427581408.db2.gz BOUWKVPFZMHYRD-QWHCGFSZSA-N 1 0 322.409 2.685 20 5 DFBDRO CC[C@H](C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000271742662 427586404 /nfs/dbraw/zinc/58/64/04/427586404.db2.gz WNGKSJWTLMPCTE-GXTWGEPZSA-N 1 0 307.394 2.892 20 5 DFBDRO COc1cccc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000185097090 427596581 /nfs/dbraw/zinc/59/65/81/427596581.db2.gz XGPSLPUKZJHRNA-GFCCVEGCSA-N 1 0 305.334 2.911 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000279235112 427606994 /nfs/dbraw/zinc/60/69/94/427606994.db2.gz JMXSBQCZODWPQV-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000342225276 271970895 /nfs/dbraw/zinc/97/08/95/271970895.db2.gz NMVLHXZVFCRDKJ-KRWDZBQOSA-N 1 0 300.358 2.635 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c1 ZINC000287572604 427643502 /nfs/dbraw/zinc/64/35/02/427643502.db2.gz GXIMRLMSQOAKBQ-YPMHNXCESA-N 1 0 318.295 2.837 20 5 DFBDRO Cc1c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000264065369 427648303 /nfs/dbraw/zinc/64/83/03/427648303.db2.gz LKMSOGRJTODYSX-MRXNPFEDSA-N 1 0 300.362 2.974 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000272184003 427666009 /nfs/dbraw/zinc/66/60/09/427666009.db2.gz TVJQMJSJPJFDAS-GFCCVEGCSA-N 1 0 320.393 2.789 20 5 DFBDRO CN(CCC[NH+]1CCCC1)c1ncnc2sc([N+](=O)[O-])cc21 ZINC000287628032 427659432 /nfs/dbraw/zinc/65/94/32/427659432.db2.gz GZUUHJYETXIAHL-UHFFFAOYSA-N 1 0 321.406 2.522 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccco1 ZINC000343246592 272103715 /nfs/dbraw/zinc/10/37/15/272103715.db2.gz FFHDNJHKQOFATB-PWSUYJOCSA-N 1 0 305.338 2.519 20 5 DFBDRO C[C@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000287683343 427667878 /nfs/dbraw/zinc/66/78/78/427667878.db2.gz COEXLWBXUBPQEI-IUCAKERBSA-N 1 0 319.390 2.637 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(COC)C1 ZINC000295046790 427671970 /nfs/dbraw/zinc/67/19/70/427671970.db2.gz FHEGSJDLZXJFKG-MRXNPFEDSA-N 1 0 308.378 2.852 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@H]2c2cccnc2)cs1 ZINC000343384790 272132961 /nfs/dbraw/zinc/13/29/61/272132961.db2.gz BCOLIDOJZAUMTM-JSGCOSHPSA-N 1 0 305.359 2.671 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000343386713 272133780 /nfs/dbraw/zinc/13/37/80/272133780.db2.gz CAIZUWMFCOLULC-OAHLLOKOSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H]1c1cccnc1 ZINC000343390302 272134715 /nfs/dbraw/zinc/13/47/15/272134715.db2.gz MGEMMFPSZKCAJO-SJORKVTESA-N 1 0 313.357 2.918 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000343446407 272149263 /nfs/dbraw/zinc/14/92/63/272149263.db2.gz OQNWRWDSJUVCKU-PWSUYJOCSA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529678 272165409 /nfs/dbraw/zinc/16/54/09/272165409.db2.gz ASASMVYUYPKCOT-KGLIPLIRSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000193216489 427678359 /nfs/dbraw/zinc/67/83/59/427678359.db2.gz FTMFOBUMNYZEMK-YPMHNXCESA-N 1 0 322.386 2.747 20 5 DFBDRO O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000343744705 272209854 /nfs/dbraw/zinc/20/98/54/272209854.db2.gz YLIXGJDMGLQNDT-LLVKDONJSA-N 1 0 305.359 2.924 20 5 DFBDRO O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000343744706 272210063 /nfs/dbraw/zinc/21/00/63/272210063.db2.gz YLIXGJDMGLQNDT-NSHDSACASA-N 1 0 305.359 2.924 20 5 DFBDRO Cc1ccccc1[C@@H]([C@H](C)Nc1ncc([N+](=O)[O-])cn1)[NH+](C)C ZINC000343803565 272222742 /nfs/dbraw/zinc/22/27/42/272222742.db2.gz HDZJESMRMAITHA-SWLSCSKDSA-N 1 0 315.377 2.797 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937642 272240710 /nfs/dbraw/zinc/24/07/10/272240710.db2.gz STBDTBIAPOMHEM-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344045606 272252238 /nfs/dbraw/zinc/25/22/38/272252238.db2.gz JYTSNVQMFQCQDN-VBNZEHGJSA-N 1 0 320.389 2.585 20 5 DFBDRO CCC(CC)[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344047223 272252683 /nfs/dbraw/zinc/25/26/83/272252683.db2.gz YVTDLHZUQAUXGO-AWEZNQCLSA-N 1 0 310.394 2.845 20 5 DFBDRO CCC(CC)[N@H+](CC)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000344076560 272257810 /nfs/dbraw/zinc/25/78/10/272257810.db2.gz VXRHIHZVEASWKB-HNNXBMFYSA-N 1 0 310.394 2.845 20 5 DFBDRO CC(=O)NC1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000344104187 272264360 /nfs/dbraw/zinc/26/43/60/272264360.db2.gz OUPHYAZIYGIYNL-UHFFFAOYSA-N 1 0 311.407 2.535 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)C1CCC(C(F)(F)F)CC1 ZINC000344135683 272271829 /nfs/dbraw/zinc/27/18/29/272271829.db2.gz SQIOILAEFKFITO-UHFFFAOYSA-N 1 0 320.315 2.881 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344209923 272288537 /nfs/dbraw/zinc/28/85/37/272288537.db2.gz JZXYQFHMCWWZQQ-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC000344271643 272302088 /nfs/dbraw/zinc/30/20/88/272302088.db2.gz ABVBRDVZDWRDHS-OAGGEKHMSA-N 1 0 320.389 2.767 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344293208 272306656 /nfs/dbraw/zinc/30/66/56/272306656.db2.gz QENAMLJGLMHAGE-HZPDHXFCSA-N 1 0 320.389 2.911 20 5 DFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000344326130 272313247 /nfs/dbraw/zinc/31/32/47/272313247.db2.gz BTSLXDFNXIRRBL-HZPDHXFCSA-N 1 0 306.362 2.651 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)cc1[N+](=O)[O-] ZINC000279479702 427683937 /nfs/dbraw/zinc/68/39/37/427683937.db2.gz KTJURESVBWPOST-CYBMUJFWSA-N 1 0 315.373 2.761 20 5 DFBDRO Cc1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000344631922 272349910 /nfs/dbraw/zinc/34/99/10/272349910.db2.gz PEAJQYQLDAYFEQ-UHFFFAOYSA-N 1 0 300.362 2.806 20 5 DFBDRO CC(=O)N1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000344795368 272370825 /nfs/dbraw/zinc/37/08/25/272370825.db2.gz RKASTLQJXSKSNN-JLHYYAGUSA-N 1 0 317.389 2.599 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCN1CCCC1=O ZINC000344854677 272377712 /nfs/dbraw/zinc/37/77/12/272377712.db2.gz JMSFCTRWUXUPJE-SDNWHVSQSA-N 1 0 317.389 2.600 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC=CCC1 ZINC000279677761 427716447 /nfs/dbraw/zinc/71/64/47/427716447.db2.gz IPONRCNZTIPBJZ-OAHLLOKOSA-N 1 0 303.406 2.767 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193853611 427719533 /nfs/dbraw/zinc/71/95/33/427719533.db2.gz UCNWPELISTYHDH-LBPRGKRZSA-N 1 0 316.361 2.706 20 5 DFBDRO Cc1cc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc([N+](=O)[O-])c1 ZINC000185861037 427720700 /nfs/dbraw/zinc/72/07/00/427720700.db2.gz XYVJIVRIEUYVQR-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000299169589 427758423 /nfs/dbraw/zinc/75/84/23/427758423.db2.gz VJCGRTIEWMLRHQ-UHFFFAOYSA-N 1 0 318.377 2.538 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCCC[C@@H]1C ZINC000336863833 427766235 /nfs/dbraw/zinc/76/62/35/427766235.db2.gz IYSNAVMWGGTORZ-LBPRGKRZSA-N 1 0 309.414 2.796 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000339397831 427767371 /nfs/dbraw/zinc/76/73/71/427767371.db2.gz SQBUCOHEQNXMAI-JTQLQIEISA-N 1 0 316.321 2.567 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000336874158 427769939 /nfs/dbraw/zinc/76/99/39/427769939.db2.gz XKLOIGGIAVFYTO-NSHDSACASA-N 1 0 320.393 2.622 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)s1 ZINC000336915333 427774721 /nfs/dbraw/zinc/77/47/21/427774721.db2.gz BDHXFNCTKBAVPH-LBPRGKRZSA-N 1 0 310.423 3.260 20 5 DFBDRO C[C@@H](F)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000339488724 427782881 /nfs/dbraw/zinc/78/28/81/427782881.db2.gz FARVFTBRBPBFEH-LLVKDONJSA-N 1 0 306.341 2.833 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+]C2(C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000339505838 427784916 /nfs/dbraw/zinc/78/49/16/427784916.db2.gz XPYSVEBJGAAXLV-UHFFFAOYSA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000334010370 427726817 /nfs/dbraw/zinc/72/68/17/427726817.db2.gz IVYOIHJOGUOFKG-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301334256 427790082 /nfs/dbraw/zinc/79/00/82/427790082.db2.gz FQJUMRZFTRSGQC-VIFPVBQESA-N 1 0 311.411 2.692 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000299102060 427751411 /nfs/dbraw/zinc/75/14/11/427751411.db2.gz SHGFGWNYAPBEDQ-OLZOCXBDSA-N 1 0 319.405 2.753 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H]2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339589711 427797283 /nfs/dbraw/zinc/79/72/83/427797283.db2.gz JJFJGIANAKCLEI-HUUCEWRRSA-N 1 0 318.352 2.976 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000339589712 427797753 /nfs/dbraw/zinc/79/77/53/427797753.db2.gz JJFJGIANAKCLEI-LSDHHAIUSA-N 1 0 318.352 2.976 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339613394 427801394 /nfs/dbraw/zinc/80/13/94/427801394.db2.gz DPNCALRDNCYLJE-OKILXGFUSA-N 1 0 321.421 2.906 20 5 DFBDRO COC(C)(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000345869770 272547334 /nfs/dbraw/zinc/54/73/34/272547334.db2.gz WTDJLOCJJATBAK-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO COC(=O)c1cc(NCC[NH+]2CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000301683564 427816084 /nfs/dbraw/zinc/81/60/84/427816084.db2.gz KPYNDWYWLSXLJK-UHFFFAOYSA-N 1 0 321.377 2.588 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)cc1 ZINC000301801580 427824877 /nfs/dbraw/zinc/82/48/77/427824877.db2.gz CLZNYBROYJZDAR-QGZVFWFLSA-N 1 0 319.405 2.676 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(F)cc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000301804217 427826030 /nfs/dbraw/zinc/82/60/30/427826030.db2.gz VGOXQSLDJIZSFC-QMTHXVAHSA-N 1 0 311.332 2.794 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCCC[C@H]2CO1 ZINC000301872837 427831879 /nfs/dbraw/zinc/83/18/79/427831879.db2.gz QJDSRIQNBUTHFJ-GJZGRUSLSA-N 1 0 305.378 2.568 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000355673885 427845184 /nfs/dbraw/zinc/84/51/84/427845184.db2.gz MPKQPUVGZBXUTE-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302001330 427847237 /nfs/dbraw/zinc/84/72/37/427847237.db2.gz JFJAFBQMHQEFGE-GFCCVEGCSA-N 1 0 300.362 2.592 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC[C@H]([NH+]3CCCC3)C1)CCN2 ZINC000302460138 427851197 /nfs/dbraw/zinc/85/11/97/427851197.db2.gz REWIBCFFIZBPHW-ZDUSSCGKSA-N 1 0 316.405 2.627 20 5 DFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000355740941 427871176 /nfs/dbraw/zinc/87/11/76/427871176.db2.gz BYAKRDVYWNPPBM-KRWDZBQOSA-N 1 0 322.405 2.847 20 5 DFBDRO CC[C@@H](Cn1cncn1)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000340527073 427871952 /nfs/dbraw/zinc/87/19/52/427871952.db2.gz RFRJMHHOPKIBSP-HNNXBMFYSA-N 1 0 317.393 2.577 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000355753094 427874791 /nfs/dbraw/zinc/87/47/91/427874791.db2.gz YPGHYXGTVSFPAH-KRWDZBQOSA-N 1 0 320.389 2.866 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784244 427891250 /nfs/dbraw/zinc/89/12/50/427891250.db2.gz IOQFNKUMOZEDQD-HLPPOEQASA-N 1 0 322.405 2.701 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000355784128 427892774 /nfs/dbraw/zinc/89/27/74/427892774.db2.gz OBLJVUBHKMKHCL-HZSPNIEDSA-N 1 0 319.405 2.924 20 5 DFBDRO C[C@@](O)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000340599655 427897201 /nfs/dbraw/zinc/89/72/01/427897201.db2.gz HDJDTAJFMCJPGL-FVOPLDGLSA-N 1 0 304.268 2.511 20 5 DFBDRO CSC[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000304283872 427924248 /nfs/dbraw/zinc/92/42/48/427924248.db2.gz KXWHVXLDQXTMGY-OAHLLOKOSA-N 1 0 312.435 2.922 20 5 DFBDRO Cc1ccc2nc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn2c1 ZINC000341043547 427976843 /nfs/dbraw/zinc/97/68/43/427976843.db2.gz IYOYIVSPDMXNEK-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c1 ZINC000340338777 427991661 /nfs/dbraw/zinc/99/16/61/427991661.db2.gz VVWVQDOFWDWFFM-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000345868000 427934583 /nfs/dbraw/zinc/93/45/83/427934583.db2.gz SZDQUDUFJCFQHU-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO COCC[C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000413489518 428062323 /nfs/dbraw/zinc/06/23/23/428062323.db2.gz HBPUOGCUMQNDDK-LLVKDONJSA-N 1 0 303.362 2.958 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000369583441 428007083 /nfs/dbraw/zinc/00/70/83/428007083.db2.gz IYCWIVOQHQFJCW-UHFFFAOYSA-N 1 0 305.422 2.801 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)cc1 ZINC000351073236 428007844 /nfs/dbraw/zinc/00/78/44/428007844.db2.gz JASNTSCGXFHPGS-UHFFFAOYSA-N 1 0 307.269 2.960 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000359908207 428072485 /nfs/dbraw/zinc/07/24/85/428072485.db2.gz WRQQGRAPYFVEHG-NSHDSACASA-N 1 0 309.366 2.524 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000377149897 428072680 /nfs/dbraw/zinc/07/26/80/428072680.db2.gz KWXHEFZGCHLYTL-CYBMUJFWSA-N 1 0 305.378 2.718 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000356286970 428105492 /nfs/dbraw/zinc/10/54/92/428105492.db2.gz SQKBRZMAAAAAGN-NHYWBVRUSA-N 1 0 323.368 2.536 20 5 DFBDRO C[NH+](C)CC1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351860005 428114416 /nfs/dbraw/zinc/11/44/16/428114416.db2.gz XVMMBTPMZLSNSL-UHFFFAOYSA-N 1 0 313.348 2.647 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000360013377 428117954 /nfs/dbraw/zinc/11/79/54/428117954.db2.gz GDCZWDILOGAYON-CHWSQXEVSA-N 1 0 300.362 2.765 20 5 DFBDRO Cc1ccc(C[C@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370054606 428122176 /nfs/dbraw/zinc/12/21/76/428122176.db2.gz BXDITLCOUJGBAU-OAHLLOKOSA-N 1 0 314.389 2.844 20 5 DFBDRO CC[N@H+](CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000351968864 428122577 /nfs/dbraw/zinc/12/25/77/428122577.db2.gz SUICYBQYPVQALL-UHFFFAOYSA-N 1 0 321.421 2.719 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360029002 428124405 /nfs/dbraw/zinc/12/44/05/428124405.db2.gz ZAFSMKIIFYNEOC-AWEZNQCLSA-N 1 0 309.797 2.917 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC2(CCC[N@H+]2C)CC1 ZINC000377136007 428066696 /nfs/dbraw/zinc/06/66/96/428066696.db2.gz JIKWJKQNKPAAFC-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1cc(N2CC[C@@](O)(C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000377492414 428138611 /nfs/dbraw/zinc/13/86/11/428138611.db2.gz VGXCWHWHSQREGZ-KRWDZBQOSA-N 1 0 313.357 2.803 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535957 428138980 /nfs/dbraw/zinc/13/89/80/428138980.db2.gz XRDLEFDXMFRNKM-ZVVFDCPKSA-N 1 0 301.390 2.684 20 5 DFBDRO CN(CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCC[N@@H+]1C ZINC000352543870 428144018 /nfs/dbraw/zinc/14/40/18/428144018.db2.gz KVDQARBZBSGBID-MRXNPFEDSA-N 1 0 305.422 2.944 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2=O)CC1 ZINC000370087231 428129720 /nfs/dbraw/zinc/12/97/20/428129720.db2.gz PPDDZGNZDHNTMW-GFCCVEGCSA-N 1 0 304.346 2.685 20 5 DFBDRO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@H]1[NH+](C)C ZINC000360075449 428149149 /nfs/dbraw/zinc/14/91/49/428149149.db2.gz UPOGQKKRUVEDFS-KGLIPLIRSA-N 1 0 313.398 2.524 20 5 DFBDRO CCCC[N@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000360110201 428166814 /nfs/dbraw/zinc/16/68/14/428166814.db2.gz BSGPWGOVRILNMI-UHFFFAOYSA-N 1 0 309.366 2.525 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c(F)c1 ZINC000352609537 428168103 /nfs/dbraw/zinc/16/81/03/428168103.db2.gz UMRRLZFSNJYSQP-TZMCWYRMSA-N 1 0 308.353 2.982 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000414128116 428214796 /nfs/dbraw/zinc/21/47/96/428214796.db2.gz RBWVWHXLCBXCDE-LBPRGKRZSA-N 1 0 318.377 2.620 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CS1 ZINC000414222851 428237250 /nfs/dbraw/zinc/23/72/50/428237250.db2.gz FXOLFGDXMFLCTG-XQHKEYJVSA-N 1 0 310.423 2.759 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CCn2ccnc2C1 ZINC000377677429 428189488 /nfs/dbraw/zinc/18/94/88/428189488.db2.gz MYNSDUGAGRJKCU-ZDUSSCGKSA-N 1 0 318.352 2.625 20 5 DFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCn2ccnc2C1 ZINC000377677611 428193918 /nfs/dbraw/zinc/19/39/18/428193918.db2.gz KZRLLMRRCARDSN-LBPRGKRZSA-N 1 0 318.352 2.625 20 5 DFBDRO CC(C)CC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000360687037 273509660 /nfs/dbraw/zinc/50/96/60/273509660.db2.gz AXVUJLUUKOQRKX-HNNXBMFYSA-N 1 0 321.421 2.514 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342037711 428282476 /nfs/dbraw/zinc/28/24/76/428282476.db2.gz UCFUEPKBPLEOLR-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000356765264 428297430 /nfs/dbraw/zinc/29/74/30/428297430.db2.gz HNOHCXGNBUPKNC-NSHDSACASA-N 1 0 318.377 2.535 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352776000 428243003 /nfs/dbraw/zinc/24/30/03/428243003.db2.gz AMHSRLXSPVWCRR-HUUCEWRRSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc(C[N@H+](C)CCCn2ccnc2C)ccc1[N+](=O)[O-] ZINC000352780057 428244040 /nfs/dbraw/zinc/24/40/40/428244040.db2.gz RJSGANHNPVBRDG-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H](O)C(F)F)c2ccccc2)c1 ZINC000352782399 428246237 /nfs/dbraw/zinc/24/62/37/428246237.db2.gz HPMNFRJWRMTUHG-GJZGRUSLSA-N 1 0 322.311 2.900 20 5 DFBDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000356821198 428321546 /nfs/dbraw/zinc/32/15/46/428321546.db2.gz YMTCNAIDORRFPI-UHFFFAOYSA-N 1 0 322.409 2.697 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000414515861 428326498 /nfs/dbraw/zinc/32/64/98/428326498.db2.gz NTMWDTAJDPASCX-AVGNSLFASA-N 1 0 308.378 2.897 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)[C@@H](O)C(C)C ZINC000414526441 428329869 /nfs/dbraw/zinc/32/98/69/428329869.db2.gz LICQGSVVWBOCES-HOCLYGCPSA-N 1 0 310.394 2.879 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000342209666 428351636 /nfs/dbraw/zinc/35/16/36/428351636.db2.gz LQWHFWCZTAKREI-IUCAKERBSA-N 1 0 308.231 2.939 20 5 DFBDRO COc1cc(-c2nc(C3([NH3+])CCCC3)no2)c([N+](=O)[O-])cc1F ZINC000414621596 428356457 /nfs/dbraw/zinc/35/64/57/428356457.db2.gz AOHFVIOHWIZGEV-UHFFFAOYSA-N 1 0 322.296 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@@H]1CCOC1)C1CC1 ZINC000346877058 428354837 /nfs/dbraw/zinc/35/48/37/428354837.db2.gz SCSHSWICDWUDOA-CJNGLKHVSA-N 1 0 304.390 2.932 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](COC(F)F)C2)cc1 ZINC000353025496 428359028 /nfs/dbraw/zinc/35/90/28/428359028.db2.gz RTRAEHMEIHNCLK-LLVKDONJSA-N 1 0 316.304 2.535 20 5 DFBDRO Cc1c(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000414705981 428380677 /nfs/dbraw/zinc/38/06/77/428380677.db2.gz OAUPTIVGNSVPCN-LBPRGKRZSA-N 1 0 308.382 2.740 20 5 DFBDRO Cc1c(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000414715041 428383298 /nfs/dbraw/zinc/38/32/98/428383298.db2.gz WBITXIRKVDFGBC-WCQYABFASA-N 1 0 306.366 2.542 20 5 DFBDRO COc1ccc(CN[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414855064 428436989 /nfs/dbraw/zinc/43/69/89/428436989.db2.gz VWNYQNWLTCCKEF-AWEZNQCLSA-N 1 0 307.394 2.601 20 5 DFBDRO CCC[NH2+]CCN[C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874898 428440793 /nfs/dbraw/zinc/44/07/93/428440793.db2.gz SZPUVSKPKNZGJD-GOEBONIOSA-N 1 0 305.422 2.895 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347113912 428451779 /nfs/dbraw/zinc/45/17/79/428451779.db2.gz SNYJOYJOZUHUII-HYDLACBMSA-N 1 0 301.390 2.823 20 5 DFBDRO O=[N+]([O-])c1cc(CNC[C@H]2[NH2+]CCc3ccccc32)cs1 ZINC000414943074 428466480 /nfs/dbraw/zinc/46/64/80/428466480.db2.gz CMCLFVXILFRMFS-CQSZACIVSA-N 1 0 303.387 2.633 20 5 DFBDRO CC(C)[C@H]([NH3+])CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414802385 428417369 /nfs/dbraw/zinc/41/73/69/428417369.db2.gz VPYXZQKMRUPHAS-CQSZACIVSA-N 1 0 320.418 2.791 20 5 DFBDRO C[NH+](C)[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)c1ccco1 ZINC000275455677 273815306 /nfs/dbraw/zinc/81/53/06/273815306.db2.gz YEDOZKXVDBOUME-CQSZACIVSA-N 1 0 316.361 2.871 20 5 DFBDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000353341234 428492137 /nfs/dbraw/zinc/49/21/37/428492137.db2.gz BXLZWYCMMJFBSD-OBJOEFQTSA-N 1 0 305.378 2.502 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347227420 428500847 /nfs/dbraw/zinc/50/08/47/428500847.db2.gz ITSMYQJZINLTMC-JTQLQIEISA-N 1 0 312.345 2.586 20 5 DFBDRO Cc1cc(C(=O)N(CCC[NH3+])CC2CCCC2)cc([N+](=O)[O-])c1 ZINC000357384162 428509081 /nfs/dbraw/zinc/50/90/81/428509081.db2.gz VIULFUTTYBZODQ-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO CCc1nn(C)c(NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000360960829 428511926 /nfs/dbraw/zinc/51/19/26/428511926.db2.gz NBQHXOIMWLXZSC-LBPRGKRZSA-N 1 0 323.441 2.813 20 5 DFBDRO CC1=CC[N@H+](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347252457 428513375 /nfs/dbraw/zinc/51/33/75/428513375.db2.gz GHSQTCPIKYRNGC-UHFFFAOYSA-N 1 0 322.340 2.507 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000347256408 428514001 /nfs/dbraw/zinc/51/40/01/428514001.db2.gz GVDHOZCMPBWGMS-QWRGUYRKSA-N 1 0 324.356 2.680 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](C(CC)CC)[NH+](C)C)c1[N+](=O)[O-] ZINC000360880789 428476426 /nfs/dbraw/zinc/47/64/26/428476426.db2.gz CMQPTWJOQOHVIJ-ZDUSSCGKSA-N 1 0 311.430 2.669 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415486191 428587576 /nfs/dbraw/zinc/58/75/76/428587576.db2.gz RFIMBOJNALOERJ-VXGBXAGGSA-N 1 0 306.366 2.603 20 5 DFBDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361407684 428566330 /nfs/dbraw/zinc/56/63/30/428566330.db2.gz GAZSFIRZCCWNQX-AWEZNQCLSA-N 1 0 317.345 2.595 20 5 DFBDRO CN1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000279176980 273939580 /nfs/dbraw/zinc/93/95/80/273939580.db2.gz VGSHIRFSAOUGGY-IAQYHMDHSA-N 1 0 317.389 2.528 20 5 DFBDRO Cc1cc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000415423161 428579402 /nfs/dbraw/zinc/57/94/02/428579402.db2.gz XYSGFAKXJIFNRZ-JOCQHMNTSA-N 1 0 320.393 2.790 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347578501 428609952 /nfs/dbraw/zinc/60/99/52/428609952.db2.gz ICSVFLRITAPLGK-AGIUHOORSA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000408172250 428612939 /nfs/dbraw/zinc/61/29/39/428612939.db2.gz UJVVOPTXCXBGHU-UONOGXRCSA-N 1 0 304.394 2.527 20 5 DFBDRO COC1(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCC1 ZINC000361492571 274013868 /nfs/dbraw/zinc/01/38/68/274013868.db2.gz JSFISTGVGRNQOT-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000373722587 428639607 /nfs/dbraw/zinc/63/96/07/428639607.db2.gz ZYTQXCKIBVMICK-CVEARBPZSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(CCO)CCCCC2)cc1 ZINC000353658437 428644758 /nfs/dbraw/zinc/64/47/58/428644758.db2.gz IXQKDPXOKKWDMV-UHFFFAOYSA-N 1 0 308.378 2.649 20 5 DFBDRO CS[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274668918 274182982 /nfs/dbraw/zinc/18/29/82/274182982.db2.gz KUYBDKXUHUIKEQ-LSDHHAIUSA-N 1 0 307.419 2.611 20 5 DFBDRO CN(C(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416097853 428667461 /nfs/dbraw/zinc/66/74/61/428667461.db2.gz GJDAAHMFOFAUSA-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO Cc1ccc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000416101058 428667686 /nfs/dbraw/zinc/66/76/86/428667686.db2.gz XHXGBQXWIOJBLB-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408464919 274316536 /nfs/dbraw/zinc/31/65/36/274316536.db2.gz GCEQZHRYHXSQIC-XQQFMLRXSA-N 1 0 322.384 2.971 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408434819 274364652 /nfs/dbraw/zinc/36/46/52/274364652.db2.gz IRQLRXCBSCMPKV-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000067374518 274398400 /nfs/dbraw/zinc/39/84/00/274398400.db2.gz ZKXWNXYGWZABRH-DVOMOZLQSA-N 1 0 317.389 2.678 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000362327295 428705628 /nfs/dbraw/zinc/70/56/28/428705628.db2.gz XUTFBVSBOHAUKI-RISCZKNCSA-N 1 0 324.352 2.743 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000344828995 428710403 /nfs/dbraw/zinc/71/04/03/428710403.db2.gz QMDAKDGMEPCDKO-CTXBLAANSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000344840507 428710940 /nfs/dbraw/zinc/71/09/40/428710940.db2.gz RIXKVKUAPUGZOL-OAHLLOKOSA-N 1 0 320.389 2.721 20 5 DFBDRO Cc1noc([C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)n1 ZINC000344868118 428716135 /nfs/dbraw/zinc/71/61/35/428716135.db2.gz VEFCZSPRQAMYPB-YVZNUBBCSA-N 1 0 314.345 2.789 20 5 DFBDRO Cc1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)c(C)n1 ZINC000358891184 428719210 /nfs/dbraw/zinc/71/92/10/428719210.db2.gz YKBIWHLPJMXSNZ-UHFFFAOYSA-N 1 0 311.139 2.614 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000286426259 274429594 /nfs/dbraw/zinc/42/95/94/274429594.db2.gz NIGFOEGVEAECSJ-YGRLFVJLSA-N 1 0 311.332 2.936 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+](C)C(C)C ZINC000353914293 428775599 /nfs/dbraw/zinc/77/55/99/428775599.db2.gz PBKZJBIWNKHCOG-UHFFFAOYSA-N 1 0 308.382 2.619 20 5 DFBDRO CCOc1cc(N2C[C@@H](C)[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000345170545 428782511 /nfs/dbraw/zinc/78/25/11/428782511.db2.gz ILKVTFDQILJLAK-CHWSQXEVSA-N 1 0 307.394 2.912 20 5 DFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353948050 428788041 /nfs/dbraw/zinc/78/80/41/428788041.db2.gz RAGGGYSTOGJYBS-KBUPBQIOSA-N 1 0 322.409 2.537 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CCC(C[NH+](CC)CC)CC1 ZINC000358939632 428740001 /nfs/dbraw/zinc/74/00/01/428740001.db2.gz UUISWLIXWBULDI-UHFFFAOYSA-N 1 0 323.441 2.678 20 5 DFBDRO C[C@H](c1ccccc1)N(CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353976818 428799341 /nfs/dbraw/zinc/79/93/41/428799341.db2.gz YROWBXBHWPGAMU-CYBMUJFWSA-N 1 0 313.357 2.643 20 5 DFBDRO C[C@H]1[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000375243034 428830347 /nfs/dbraw/zinc/83/03/47/428830347.db2.gz SXLRQORRBXUEMM-CZUORRHYSA-N 1 0 320.389 2.519 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](CC2CCCC2)C1 ZINC000375257371 428834570 /nfs/dbraw/zinc/83/45/70/428834570.db2.gz YBAKPGJRGITRBS-OAHLLOKOSA-N 1 0 319.405 2.659 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1 ZINC000412022949 428910198 /nfs/dbraw/zinc/91/01/98/428910198.db2.gz VWYKLZPEGATSNH-NSHDSACASA-N 1 0 322.361 2.509 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000363123015 428865074 /nfs/dbraw/zinc/86/50/74/428865074.db2.gz WRIUAYZHZYOZTO-CQSZACIVSA-N 1 0 316.361 2.507 20 5 DFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354115066 428868502 /nfs/dbraw/zinc/86/85/02/428868502.db2.gz ADSPFYRJYZADRH-CYBMUJFWSA-N 1 0 306.362 2.758 20 5 DFBDRO CCOc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348905997 428873170 /nfs/dbraw/zinc/87/31/70/428873170.db2.gz SJLMYBQTXQYYDF-UHFFFAOYSA-N 1 0 315.373 2.959 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348928420 428879333 /nfs/dbraw/zinc/87/93/33/428879333.db2.gz QMRHYBGVGHWKLY-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+](CC)CC ZINC000345535761 428926758 /nfs/dbraw/zinc/92/67/58/428926758.db2.gz AGXPRGFDNHZERI-CQSZACIVSA-N 1 0 305.378 2.604 20 5 DFBDRO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000412056850 428933281 /nfs/dbraw/zinc/93/32/81/428933281.db2.gz POJIRVOAYIMZLC-HNNXBMFYSA-N 1 0 317.389 2.572 20 5 DFBDRO Cc1cc(NC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)ccn1 ZINC000359362746 428937631 /nfs/dbraw/zinc/93/76/31/428937631.db2.gz QDPIGAYTXFBRBI-UHFFFAOYSA-N 1 0 323.255 2.574 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2Cc3ccccc3C3(CCC3)C2)c1 ZINC000375686011 428942389 /nfs/dbraw/zinc/94/23/89/428942389.db2.gz XVTSLBKNUBHQNW-UHFFFAOYSA-N 1 0 312.373 2.729 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420210987 428948297 /nfs/dbraw/zinc/94/82/97/428948297.db2.gz WSAVAULYDKUMMS-WCQYABFASA-N 1 0 318.402 3.258 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1(O)CCC1 ZINC000349248121 428949773 /nfs/dbraw/zinc/94/97/73/428949773.db2.gz QBTIHNFZNCVQLQ-LBPRGKRZSA-N 1 0 310.419 2.970 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000345593576 428950978 /nfs/dbraw/zinc/95/09/78/428950978.db2.gz XSFKTENTTZPZNI-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359396824 428953567 /nfs/dbraw/zinc/95/35/67/428953567.db2.gz NVUIOJAGZOBLCC-CJNGLKHVSA-N 1 0 322.405 2.731 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)c(Cl)c1 ZINC000349318550 428960349 /nfs/dbraw/zinc/96/03/49/428960349.db2.gz ROQRYIRRECZPCC-JTQLQIEISA-N 1 0 312.675 2.651 20 5 DFBDRO Cc1nc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)no1 ZINC000375761322 428964306 /nfs/dbraw/zinc/96/43/06/428964306.db2.gz FUIRCHFOSIKPDW-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000298726808 274756279 /nfs/dbraw/zinc/75/62/79/274756279.db2.gz BIBBFNLIOWLCLB-UONOGXRCSA-N 1 0 319.405 2.955 20 5 DFBDRO Cn1ccc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000433236660 429016365 /nfs/dbraw/zinc/01/63/65/429016365.db2.gz ZUKNNBDUBUQBSD-INIZCTEOSA-N 1 0 314.389 2.883 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000421749548 429025646 /nfs/dbraw/zinc/02/56/46/429025646.db2.gz QUIBUYWUVCAHAO-CQSZACIVSA-N 1 0 321.421 2.918 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000375987916 429034977 /nfs/dbraw/zinc/03/49/77/429034977.db2.gz WPTONUXWBUMANA-KBPBESRZSA-N 1 0 300.362 2.754 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N(CC[NH+](C)C)Cc2ccccn2)c1 ZINC000433421473 429032363 /nfs/dbraw/zinc/03/23/63/429032363.db2.gz OQSLYUZTQLJJGE-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000423617743 428982270 /nfs/dbraw/zinc/98/22/70/428982270.db2.gz TUZXBASHKOCVHH-NWDGAFQWSA-N 1 0 305.378 2.541 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCOc1ccccc1[N+](=O)[O-] ZINC000375806962 428983024 /nfs/dbraw/zinc/98/30/24/428983024.db2.gz BDROLKUOJZBZPI-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO CON1CCC([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000421397090 428991926 /nfs/dbraw/zinc/99/19/26/428991926.db2.gz LHELXEUPCKHVGU-UHFFFAOYSA-N 1 0 307.394 2.834 20 5 DFBDRO COc1cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)ccc1[N+](=O)[O-] ZINC000451839721 428994993 /nfs/dbraw/zinc/99/49/93/428994993.db2.gz DITIERVJGIPGIG-JKSUJKDBSA-N 1 0 320.389 2.993 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000423698499 429000346 /nfs/dbraw/zinc/00/03/46/429000346.db2.gz PEQKNWPUZZPRTL-GFCCVEGCSA-N 1 0 307.394 2.966 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000421699870 429011587 /nfs/dbraw/zinc/01/15/87/429011587.db2.gz CIMWJGXNGRYMKF-CYBMUJFWSA-N 1 0 317.345 2.507 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CCNCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475885 429093763 /nfs/dbraw/zinc/09/37/63/429093763.db2.gz KSBCKXQRURCWTM-GXTWGEPZSA-N 1 0 313.348 2.880 20 5 DFBDRO Cc1nc(N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296689975 274844565 /nfs/dbraw/zinc/84/45/65/274844565.db2.gz CRXUMOQFGYUPNR-DOMZBBRYSA-N 1 0 315.377 2.797 20 5 DFBDRO Nc1c(F)c(NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788206 429050910 /nfs/dbraw/zinc/05/09/10/429050910.db2.gz CNDFOYDBUFIYJM-LLVKDONJSA-N 1 0 308.357 2.745 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452120437 429064597 /nfs/dbraw/zinc/06/45/97/429064597.db2.gz RFXQRVHLLNULBG-OAHLLOKOSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423967641 429066856 /nfs/dbraw/zinc/06/68/56/429066856.db2.gz SYVWTJSKFNFFKT-HUUCEWRRSA-N 1 0 317.389 2.507 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000424197191 429108153 /nfs/dbraw/zinc/10/81/53/429108153.db2.gz BPLGCCZIKVAPCP-AGGWBTHJSA-N 1 0 312.373 2.883 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000261911734 274957484 /nfs/dbraw/zinc/95/74/84/274957484.db2.gz QIWPWQOPPZFXBP-BYCMXARLSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3Cc4ccccc43)CC2)n1 ZINC000376507344 429125751 /nfs/dbraw/zinc/12/57/51/429125751.db2.gz OMBKYJRYZVNUCH-CQSZACIVSA-N 1 0 312.373 2.768 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000363868046 429131360 /nfs/dbraw/zinc/13/13/60/429131360.db2.gz MPSMMQOUWJMPTR-IAGOWNOFSA-N 1 0 303.406 2.962 20 5 DFBDRO CN(C(=O)C[N@@H+]1C[C@H]2CCCCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926384 429140833 /nfs/dbraw/zinc/14/08/33/429140833.db2.gz WAZQYKWJPSYIFF-CZUORRHYSA-N 1 0 317.389 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000296668097 275037734 /nfs/dbraw/zinc/03/77/34/275037734.db2.gz ZCENAUPZIYXXNG-TZMCWYRMSA-N 1 0 301.350 2.510 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000364163141 429173140 /nfs/dbraw/zinc/17/31/40/429173140.db2.gz SDDJHXPBZXTHQI-KRWDZBQOSA-N 1 0 314.389 2.926 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)[C@H]1C ZINC000436059234 429177707 /nfs/dbraw/zinc/17/77/07/429177707.db2.gz KMGOWFFUYVMRGN-CHWSQXEVSA-N 1 0 307.394 2.564 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000364313469 429179312 /nfs/dbraw/zinc/17/93/12/429179312.db2.gz YJGPAQWFGUQXNV-ZQIUZPCESA-N 1 0 320.389 2.892 20 5 DFBDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000436093700 429179430 /nfs/dbraw/zinc/17/94/30/429179430.db2.gz OWHOXHPQQFAVCB-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO Cc1cc(C2=CC[N@H+](CCCCCO)CC2)cc([N+](=O)[O-])c1N ZINC000364356622 429189219 /nfs/dbraw/zinc/18/92/19/429189219.db2.gz IUPDFHXKCDNMLX-UHFFFAOYSA-N 1 0 319.405 2.737 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000364335412 429184795 /nfs/dbraw/zinc/18/47/95/429184795.db2.gz ITJYFURRNQEBLC-GFCCVEGCSA-N 1 0 322.315 2.907 20 5 DFBDRO C[NH+](C)C1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000436303859 429196031 /nfs/dbraw/zinc/19/60/31/429196031.db2.gz CAOQVULQNPNRIE-UHFFFAOYSA-N 1 0 318.299 2.539 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000364364358 429190860 /nfs/dbraw/zinc/19/08/60/429190860.db2.gz UVUPUMYTTOFRQA-OAHLLOKOSA-N 1 0 312.373 2.807 20 5 DFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722039 429190951 /nfs/dbraw/zinc/19/09/51/429190951.db2.gz NEPNXUKGNOTTBN-WOSRLPQWSA-N 1 0 319.405 2.770 20 5 DFBDRO CC1=CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000436266749 429191406 /nfs/dbraw/zinc/19/14/06/429191406.db2.gz OXCFOZCYVYJTFR-UHFFFAOYSA-N 1 0 317.345 2.545 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364514856 429216801 /nfs/dbraw/zinc/21/68/01/429216801.db2.gz ZNYAVXISPCLGBU-CQSZACIVSA-N 1 0 315.377 2.757 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H]1CC1(C)C ZINC000489470043 429244452 /nfs/dbraw/zinc/24/44/52/429244452.db2.gz FPWPAFFDKHUDOI-AWEZNQCLSA-N 1 0 305.378 2.962 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000456159758 429251812 /nfs/dbraw/zinc/25/18/12/429251812.db2.gz HCCJVJOQFLQPFN-WCQYABFASA-N 1 0 320.393 2.551 20 5 DFBDRO CCOC1CC(O)(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000444010630 429261956 /nfs/dbraw/zinc/26/19/56/429261956.db2.gz QGWYUWAGBWPNLC-QPEQYQDCSA-N 1 0 320.389 2.518 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449082534 429326845 /nfs/dbraw/zinc/32/68/45/429326845.db2.gz NYQXDTQPCURSPR-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nccn1C(F)F ZINC000449101974 429332740 /nfs/dbraw/zinc/33/27/40/429332740.db2.gz WOFIBQGDHUSPGH-JTQLQIEISA-N 1 0 310.304 2.907 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000491277303 429342961 /nfs/dbraw/zinc/34/29/61/429342961.db2.gz IRSUWRPRZOSOKM-VURMDHGXSA-N 1 0 323.368 2.594 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000449151928 429345572 /nfs/dbraw/zinc/34/55/72/429345572.db2.gz ZCKIZEJANVLHMI-BLLLJJGKSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1c(C(=O)NCC[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000457074940 429391899 /nfs/dbraw/zinc/39/18/99/429391899.db2.gz MDZVNLULOLHFPN-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COC[C@@H](C)[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000365882078 429395401 /nfs/dbraw/zinc/39/54/01/429395401.db2.gz BKTRKDVZXBRQJW-GFCCVEGCSA-N 1 0 305.378 2.609 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])c1 ZINC000426488698 429397825 /nfs/dbraw/zinc/39/78/25/429397825.db2.gz XJMRKAQZQJRMEK-GXTWGEPZSA-N 1 0 306.362 2.857 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000449181644 429350165 /nfs/dbraw/zinc/35/01/65/429350165.db2.gz IBZRZVUDDXEHTD-JSGCOSHPSA-N 1 0 319.405 2.515 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CC(F)(F)C2)n1 ZINC000425936746 429352606 /nfs/dbraw/zinc/35/26/06/429352606.db2.gz OFIUILQOQYTYIY-VXGBXAGGSA-N 1 0 314.336 2.910 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631407 429354944 /nfs/dbraw/zinc/35/49/44/429354944.db2.gz QQDGSXFRRYVHMA-OAHLLOKOSA-N 1 0 314.389 2.750 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ncccc1F ZINC000449201277 429356188 /nfs/dbraw/zinc/35/61/88/429356188.db2.gz CXVIDQIUZUPTFL-LBPRGKRZSA-N 1 0 319.336 2.729 20 5 DFBDRO COC1CC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000425991385 429357954 /nfs/dbraw/zinc/35/79/54/429357954.db2.gz VAXLKBCGMKZNFQ-UHFFFAOYSA-N 1 0 304.268 2.881 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000426214415 429375270 /nfs/dbraw/zinc/37/52/70/429375270.db2.gz ONTQRNKQBFIMKX-UHFFFAOYSA-N 1 0 322.405 2.991 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000449281343 429376541 /nfs/dbraw/zinc/37/65/41/429376541.db2.gz DFSGXHSGRUIKGV-IUODEOHRSA-N 1 0 312.369 2.988 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366265945 429444287 /nfs/dbraw/zinc/44/42/87/429444287.db2.gz HEVNHIGJCWQMJP-SJORKVTESA-N 1 0 320.389 2.755 20 5 DFBDRO CCOc1cc(N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000519577436 429466870 /nfs/dbraw/zinc/46/68/70/429466870.db2.gz VJLXXRKMJXUZFK-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457176050 429420581 /nfs/dbraw/zinc/42/05/81/429420581.db2.gz YVQFHEJHFBWTOX-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000518439573 429420712 /nfs/dbraw/zinc/42/07/12/429420712.db2.gz CSHCRSQYZHDETI-UHFFFAOYSA-N 1 0 314.341 2.980 20 5 DFBDRO Cc1sc(C(=O)NCCCC[N@@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457199625 429425847 /nfs/dbraw/zinc/42/58/47/429425847.db2.gz KVEVSIOADQCBHR-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO CCc1ccc(C(=O)NCCCC[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000457212246 429426913 /nfs/dbraw/zinc/42/69/13/429426913.db2.gz XJGJZNOQIWBADF-UHFFFAOYSA-N 1 0 319.405 2.761 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCCC2(F)F)c([N+](=O)[O-])cc1O ZINC000449492684 429433359 /nfs/dbraw/zinc/43/33/59/429433359.db2.gz JVCGPSTUQRVCRJ-SNVBAGLBSA-N 1 0 316.304 2.834 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675277 429475226 /nfs/dbraw/zinc/47/52/26/429475226.db2.gz ZEJIGTAYUHHDLH-AAEUAGOBSA-N 1 0 318.295 2.648 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000519772216 429486219 /nfs/dbraw/zinc/48/62/19/429486219.db2.gz STJYYDWMTMZIRN-JOCQHMNTSA-N 1 0 306.362 2.941 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492203645 429487099 /nfs/dbraw/zinc/48/70/99/429487099.db2.gz DLLLVUSXFBTNKM-VURMDHGXSA-N 1 0 323.368 2.546 20 5 DFBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]2COC[C@@H]21 ZINC000449783809 429509909 /nfs/dbraw/zinc/50/99/09/429509909.db2.gz RVEFMQUMCGVUHY-VKDHPCIHSA-N 1 0 302.374 2.965 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366852645 429524919 /nfs/dbraw/zinc/52/49/19/429524919.db2.gz ARYFLIKPKQFJIK-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000521621856 429558130 /nfs/dbraw/zinc/55/81/30/429558130.db2.gz HMKVVURFNNFUAV-CHWSQXEVSA-N 1 0 322.409 2.641 20 5 DFBDRO [NH3+]C1(c2noc(/C=C\c3ccccc3[N+](=O)[O-])n2)CCCC1 ZINC000521873640 429565425 /nfs/dbraw/zinc/56/54/25/429565425.db2.gz HAHFYKFKQBCNHG-FPLPWBNLSA-N 1 0 300.318 2.876 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000521899330 429568945 /nfs/dbraw/zinc/56/89/45/429568945.db2.gz RSTQSADOORUTET-AWEZNQCLSA-N 1 0 319.405 2.772 20 5 DFBDRO CCOc1cc(CN2CC[C@@H]([NH+](CC)CC)C2)ccc1[N+](=O)[O-] ZINC000492649375 429587559 /nfs/dbraw/zinc/58/75/59/429587559.db2.gz HTNNPGLCPPSOLM-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450267707 429588493 /nfs/dbraw/zinc/58/84/93/429588493.db2.gz XQZGZDQOKOLIEC-CQSZACIVSA-N 1 0 319.340 2.547 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2CC2CCCCC2)nc1 ZINC000524684993 429631488 /nfs/dbraw/zinc/63/14/88/429631488.db2.gz PVYSSYOHPACSKS-OAHLLOKOSA-N 1 0 318.421 3.446 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450531102 429641232 /nfs/dbraw/zinc/64/12/32/429641232.db2.gz GRPAITBCZBZMAL-LBPRGKRZSA-N 1 0 302.378 3.284 20 5 DFBDRO C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)C[NH+](C)C ZINC000450538766 429643834 /nfs/dbraw/zinc/64/38/34/429643834.db2.gz IKDFYPLXIMKHSC-LLVKDONJSA-N 1 0 320.418 3.328 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccc(CO)o2)cc1 ZINC000525195364 429648329 /nfs/dbraw/zinc/64/83/29/429648329.db2.gz JLPNAMKXIGEKEY-UHFFFAOYSA-N 1 0 304.346 2.793 20 5 DFBDRO CC(C)OCC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429268017 429593035 /nfs/dbraw/zinc/59/30/35/429593035.db2.gz PRMMVAPAWZQIQX-CYBMUJFWSA-N 1 0 310.394 2.596 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000450309179 429595782 /nfs/dbraw/zinc/59/57/82/429595782.db2.gz RFYUFERRKXQNAJ-ZDUSSCGKSA-N 1 0 318.402 2.859 20 5 DFBDRO Cc1ccoc1C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000429385165 429604533 /nfs/dbraw/zinc/60/45/33/429604533.db2.gz HFFVTHOSANYVAG-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1F)c1ccc([N+](=O)[O-])nc1 ZINC000450374306 429612105 /nfs/dbraw/zinc/61/21/05/429612105.db2.gz BUHBHXHUNUYLRB-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000450370600 429612465 /nfs/dbraw/zinc/61/24/65/429612465.db2.gz ZOJABVSSPZRTEW-KGLIPLIRSA-N 1 0 314.389 3.428 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000275870573 276164190 /nfs/dbraw/zinc/16/41/90/276164190.db2.gz NRTGXDVUFMLOPG-UHFFFAOYSA-N 1 0 319.405 2.886 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@@H]1CCCO1 ZINC000526046415 429697353 /nfs/dbraw/zinc/69/73/53/429697353.db2.gz DHPVTZZLOTUEIN-SHRNQRGKSA-N 1 0 320.389 2.783 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CC[C@@H](C)C1 ZINC000526053226 429698195 /nfs/dbraw/zinc/69/81/95/429698195.db2.gz ZGLIZODSIHXVJA-MFYHJKBNSA-N 1 0 303.406 2.930 20 5 DFBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000473530269 429714494 /nfs/dbraw/zinc/71/44/94/429714494.db2.gz YWFVEYGQHPRDBI-LBPRGKRZSA-N 1 0 316.405 3.531 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)o2)c1 ZINC000367838816 429727205 /nfs/dbraw/zinc/72/72/05/429727205.db2.gz HICXDADWPLYIHV-ZSHCYNCHSA-N 1 0 314.341 2.525 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000181355988 276441756 /nfs/dbraw/zinc/44/17/56/276441756.db2.gz XYQNQNIHAQQOLU-DZGCQCFKSA-N 1 0 300.362 2.916 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000450951487 429737109 /nfs/dbraw/zinc/73/71/09/429737109.db2.gz PZMMQQWCVLOFQZ-UHFFFAOYSA-N 1 0 321.406 2.886 20 5 DFBDRO CC(C)[C@H]1[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000431130464 429745348 /nfs/dbraw/zinc/74/53/48/429745348.db2.gz VMHYKALNQDYCAB-GDBMZVCRSA-N 1 0 322.405 2.701 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493622674 429798144 /nfs/dbraw/zinc/79/81/44/429798144.db2.gz STVZRQNQOASHHP-RMKNXTFCSA-N 1 0 317.389 2.599 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000451082663 429765209 /nfs/dbraw/zinc/76/52/09/429765209.db2.gz MPQDXRCZWMGGGU-CYBMUJFWSA-N 1 0 319.405 2.520 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC[C@H](C)[NH+](CC)CC ZINC000101591049 276497254 /nfs/dbraw/zinc/49/72/54/276497254.db2.gz FWIFFWUKCXSWMJ-ZDUSSCGKSA-N 1 0 309.410 2.813 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000368066520 429778932 /nfs/dbraw/zinc/77/89/32/429778932.db2.gz YBQIUJINRRLUGN-KRWDZBQOSA-N 1 0 322.405 2.834 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000451475771 429832142 /nfs/dbraw/zinc/83/21/42/429832142.db2.gz DDKZTHVALZKPOT-NUEKZKHPSA-N 1 0 320.389 2.897 20 5 DFBDRO Cc1ccc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000432844660 429844210 /nfs/dbraw/zinc/84/42/10/429844210.db2.gz FNKCJGXOUNDEPA-AWEZNQCLSA-N 1 0 307.394 2.816 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)C(F)(F)F)C2)cc1 ZINC000451543714 429848161 /nfs/dbraw/zinc/84/81/61/429848161.db2.gz CFMONIDGMVAVGD-DGCLKSJQSA-N 1 0 318.295 2.697 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368448611 429851506 /nfs/dbraw/zinc/85/15/06/429851506.db2.gz CJPQIKWQXQDEFN-BLLLJJGKSA-N 1 0 317.389 2.718 20 5 DFBDRO Cc1cnn(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000451554098 429853324 /nfs/dbraw/zinc/85/33/24/429853324.db2.gz ZFSYDUOLQFHCDT-INIZCTEOSA-N 1 0 314.389 2.979 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000368481704 429855400 /nfs/dbraw/zinc/85/54/00/429855400.db2.gz IDKIYSXCQYBJDU-IAQYHMDHSA-N 1 0 309.797 2.774 20 5 DFBDRO CC[C@@H](C)NC(=O)CN1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451568701 429856470 /nfs/dbraw/zinc/85/64/70/429856470.db2.gz OAKSLHQOBQWFFY-HIFRSBDPSA-N 1 0 319.405 2.689 20 5 DFBDRO [NH3+]C1(CNC(=O)/C=C\c2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000493686362 429810108 /nfs/dbraw/zinc/81/01/08/429810108.db2.gz LEODCCYEBORZQU-ALCCZGGFSA-N 1 0 321.352 2.525 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000432329251 429814229 /nfs/dbraw/zinc/81/42/29/429814229.db2.gz NYDSBOXCKBOEFZ-LLVKDONJSA-N 1 0 313.785 2.507 20 5 DFBDRO COC[C@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000368760976 429892276 /nfs/dbraw/zinc/89/22/76/429892276.db2.gz INIAVARWBHVHON-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369002215 429906644 /nfs/dbraw/zinc/90/66/44/429906644.db2.gz MVNIKJWFUYDSED-SWLSCSKDSA-N 1 0 323.368 2.647 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000369037715 429908822 /nfs/dbraw/zinc/90/88/22/429908822.db2.gz ZOVOEJZKRLYLDQ-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451694005 429872469 /nfs/dbraw/zinc/87/24/69/429872469.db2.gz BCXBGUQXILHUKV-KFWWJZLASA-N 1 0 320.389 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700757 429874151 /nfs/dbraw/zinc/87/41/51/429874151.db2.gz OPMUFDVZUYRTPD-IOASZLSFSA-N 1 0 320.389 2.586 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000558252394 429966082 /nfs/dbraw/zinc/96/60/82/429966082.db2.gz MCEWNFPAUIGHKR-ZHAHWJHGSA-N 1 0 313.304 2.555 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000573853057 429987439 /nfs/dbraw/zinc/98/74/39/429987439.db2.gz HHYKLPXFNJUONX-UHFFFAOYSA-N 1 0 312.369 2.978 20 5 DFBDRO CC1(C)c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000557340484 429937403 /nfs/dbraw/zinc/93/74/03/429937403.db2.gz SCIUZPFQFIWXCN-UHFFFAOYSA-N 1 0 300.362 2.585 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCO[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000369459076 429949197 /nfs/dbraw/zinc/94/91/97/429949197.db2.gz UGFSVHHKRCRENS-CJNGLKHVSA-N 1 0 306.362 2.747 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000369477742 429953016 /nfs/dbraw/zinc/95/30/16/429953016.db2.gz CPERHEAAUJYQBX-UHFFFAOYSA-N 1 0 323.418 2.793 20 5 DFBDRO Cc1cncc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000560002484 430017536 /nfs/dbraw/zinc/01/75/36/430017536.db2.gz LKOUQUXQBJILHP-CABCVRRESA-N 1 0 315.377 2.768 20 5 DFBDRO Cc1c(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000562746852 430176141 /nfs/dbraw/zinc/17/61/41/430176141.db2.gz XLLLMFJGVOIMQZ-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000562761526 430177249 /nfs/dbraw/zinc/17/72/49/430177249.db2.gz SUVUJKWPQNPQIE-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO COc1ccc(C[NH+]2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000530686304 430122221 /nfs/dbraw/zinc/12/22/21/430122221.db2.gz WXXRBAUCYAJYMI-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012283 277084130 /nfs/dbraw/zinc/08/41/30/277084130.db2.gz LJQCJGAHHNUTMV-SWLSCSKDSA-N 1 0 307.369 2.650 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000292326345 277160847 /nfs/dbraw/zinc/16/08/47/277160847.db2.gz PDQVARXBXNVWMA-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@H]21 ZINC000581360422 430201010 /nfs/dbraw/zinc/20/10/10/430201010.db2.gz DHDSMTFHGHRIII-KCPJHIHWSA-N 1 0 312.373 2.707 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000375227029 277177169 /nfs/dbraw/zinc/17/71/69/277177169.db2.gz DNQXLTJZRGGHIJ-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO C[NH2+]CCC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000261818939 277266155 /nfs/dbraw/zinc/26/61/55/277266155.db2.gz HCKSNKODKYKROS-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000261924938 277283444 /nfs/dbraw/zinc/28/34/44/277283444.db2.gz ILDJXOYLXKIUCQ-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000566233773 430249706 /nfs/dbraw/zinc/24/97/06/430249706.db2.gz CGGYPEDMUSVVJW-VHSXEESVSA-N 1 0 306.391 3.256 20 5 DFBDRO Cc1nnc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)s1 ZINC000543740124 430260278 /nfs/dbraw/zinc/26/02/78/430260278.db2.gz STYLZFTYTWWXKD-CYBMUJFWSA-N 1 0 318.402 2.866 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000544188816 430276344 /nfs/dbraw/zinc/27/63/44/430276344.db2.gz IOVMOTBBHAUHKS-UKRRQHHQSA-N 1 0 322.405 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c(Cl)c1 ZINC000544369795 430278775 /nfs/dbraw/zinc/27/87/75/430278775.db2.gz CDJQWNSBNTXAMY-NSHDSACASA-N 1 0 324.764 2.782 20 5 DFBDRO CC(C)[C@H](CO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000582246791 430281869 /nfs/dbraw/zinc/28/18/69/430281869.db2.gz QNLBGDPXNXNPTD-NSHDSACASA-N 1 0 318.320 2.550 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCCO1 ZINC000278862449 277600070 /nfs/dbraw/zinc/60/00/70/277600070.db2.gz RGAGDBKEAQQEJB-IVMMDQJWSA-N 1 0 308.378 2.748 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000583402400 430391376 /nfs/dbraw/zinc/39/13/76/430391376.db2.gz CXVBPYXLIUFRSO-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CN1CCC(C)(C)C1 ZINC000583415344 430392056 /nfs/dbraw/zinc/39/20/56/430392056.db2.gz JBUGEXJGRZOSSS-UHFFFAOYSA-N 1 0 305.378 2.882 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000568872870 430400053 /nfs/dbraw/zinc/40/00/53/430400053.db2.gz BGUIYSWXSPJMIK-HNNXBMFYSA-N 1 0 320.389 2.647 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000548286584 430460043 /nfs/dbraw/zinc/46/00/43/430460043.db2.gz UVDBICVVMOVUSH-AWEZNQCLSA-N 1 0 304.394 2.671 20 5 DFBDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569554278 430464470 /nfs/dbraw/zinc/46/44/70/430464470.db2.gz ZXJGJWFQJZHKHF-BONVTDFDSA-N 1 0 305.403 2.960 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@@H]3CCCC[NH2+]3)n2)cc1 ZINC000591426959 430489712 /nfs/dbraw/zinc/48/97/12/430489712.db2.gz VXSIJNQNIKZOQI-LBPRGKRZSA-N 1 0 318.402 3.272 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NC[C@H]3CCCC[NH2+]3)n2)cc1 ZINC000591426958 430490105 /nfs/dbraw/zinc/49/01/05/430490105.db2.gz VXSIJNQNIKZOQI-GFCCVEGCSA-N 1 0 318.402 3.272 20 5 DFBDRO CO[C@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000570273512 430528052 /nfs/dbraw/zinc/52/80/52/430528052.db2.gz NPKODTIRKCHEAJ-ZDUSSCGKSA-N 1 0 323.393 2.574 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[N@@H+]3CCCC[C@H]3C1)CCCC2 ZINC000571042732 430599352 /nfs/dbraw/zinc/59/93/52/430599352.db2.gz OPAVGZZTJRFKJV-AWEZNQCLSA-N 1 0 316.405 2.543 20 5 DFBDRO CCC[C@@H]1CN(c2cccc(C)c2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000555165823 430661118 /nfs/dbraw/zinc/66/11/18/430661118.db2.gz OXWKYUVRRVFLDF-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095619 430627737 /nfs/dbraw/zinc/62/77/37/430627737.db2.gz RLSCJIZVQQPVQU-LZWOXQAQSA-N 1 0 305.422 2.846 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000571520241 430634211 /nfs/dbraw/zinc/63/42/11/430634211.db2.gz JIXRTENEFYDRNK-CQSZACIVSA-N 1 0 313.357 2.988 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H]2C(F)F)n1 ZINC000554374670 430634814 /nfs/dbraw/zinc/63/48/14/430634814.db2.gz WGBCQBKNHBZZAH-VLEAKVRGSA-N 1 0 300.309 2.518 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2C[C@@H]2C(F)F)n1 ZINC000554374671 430635054 /nfs/dbraw/zinc/63/50/54/430635054.db2.gz WGBCQBKNHBZZAH-ZRUFSTJUSA-N 1 0 300.309 2.518 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357050208 278036845 /nfs/dbraw/zinc/03/68/45/278036845.db2.gz LXJUKARBAVKULU-LSDHHAIUSA-N 1 0 303.406 2.760 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+](C)C ZINC000571957657 430662605 /nfs/dbraw/zinc/66/26/05/430662605.db2.gz CTTIXJHJBOMSRI-GFCCVEGCSA-N 1 0 305.334 2.911 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266498156 278089543 /nfs/dbraw/zinc/08/95/43/278089543.db2.gz UWOMREYPGVAVHS-LMWSTFAQSA-N 1 0 305.378 2.693 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c([N+](=O)[O-])c1 ZINC000269076189 278247184 /nfs/dbraw/zinc/24/71/84/278247184.db2.gz BVNBYTOQWFGVCY-GJZGRUSLSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339098184 278257693 /nfs/dbraw/zinc/25/76/93/278257693.db2.gz OBDVIDQVFOYWIP-OLZOCXBDSA-N 1 0 320.393 2.837 20 5 DFBDRO C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C[NH+]1CCCC1 ZINC000317103395 278287400 /nfs/dbraw/zinc/28/74/00/278287400.db2.gz PKCLKIKYUKSEDF-NSHDSACASA-N 1 0 303.366 2.615 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513139 278355262 /nfs/dbraw/zinc/35/52/62/278355262.db2.gz KNHVLVRLMHGAFW-CHWSQXEVSA-N 1 0 300.362 2.705 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000271344040 278355509 /nfs/dbraw/zinc/35/55/09/278355509.db2.gz DODFQQFMGCJKJS-DOMZBBRYSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283897414 278370683 /nfs/dbraw/zinc/37/06/83/278370683.db2.gz CTODYAGEIGONFE-QMTHXVAHSA-N 1 0 315.377 2.639 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000262790353 278914947 /nfs/dbraw/zinc/91/49/47/278914947.db2.gz DBCNMDFQSSJNGM-KOLCDFICSA-N 1 0 319.386 2.680 20 5 DFBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249863 279002685 /nfs/dbraw/zinc/00/26/85/279002685.db2.gz MSCNMZOUWRECNT-OCCSQVGLSA-N 1 0 318.352 2.808 20 5 DFBDRO C[C@@]1(C[NH3+])CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000261579387 279158453 /nfs/dbraw/zinc/15/84/53/279158453.db2.gz PMSOFNVDFUGYOZ-LBPRGKRZSA-N 1 0 314.183 2.532 20 5 DFBDRO C[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000186042562 279164810 /nfs/dbraw/zinc/16/48/10/279164810.db2.gz GOYFEAKXNDWPQC-KRWDZBQOSA-N 1 0 314.389 2.889 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000356776058 279373403 /nfs/dbraw/zinc/37/34/03/279373403.db2.gz QARYESKKUDBLDH-ZDUSSCGKSA-N 1 0 321.421 2.717 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262344708 279419870 /nfs/dbraw/zinc/41/98/70/279419870.db2.gz URKNOBATWFACIA-RYUDHWBXSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268955609 279507192 /nfs/dbraw/zinc/50/71/92/279507192.db2.gz WNBAHIRJAMTPML-NWANDNLSSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000374038835 280097900 /nfs/dbraw/zinc/09/79/00/280097900.db2.gz BTONPGRJGGEQQR-DZGCQCFKSA-N 1 0 314.389 2.781 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CC1 ZINC000090526569 280115479 /nfs/dbraw/zinc/11/54/79/280115479.db2.gz KERRFTIDGWHJDI-CHWSQXEVSA-N 1 0 307.394 2.656 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)n1 ZINC000359083839 280398266 /nfs/dbraw/zinc/39/82/66/280398266.db2.gz PXULQABTKAYMDS-UHFFFAOYSA-N 1 0 304.394 2.671 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301452603 280554175 /nfs/dbraw/zinc/55/41/75/280554175.db2.gz UVGLNNOLUCWHAB-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000173097000 281008655 /nfs/dbraw/zinc/00/86/55/281008655.db2.gz MFFPVQKVFXAQOA-UONOGXRCSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[N@H+](C)C2CCCCC2)n1 ZINC000360664755 281010099 /nfs/dbraw/zinc/01/00/99/281010099.db2.gz RQSZZKHWDZWSAK-UHFFFAOYSA-N 1 0 306.410 2.999 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCCC3)C2)n1 ZINC000125166430 281011179 /nfs/dbraw/zinc/01/11/79/281011179.db2.gz QQVPHQIXVMYIJR-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375328449 281021967 /nfs/dbraw/zinc/02/19/67/281021967.db2.gz NXQOYASVNMPMAQ-GXTWGEPZSA-N 1 0 301.350 2.503 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000113226562 288305066 /nfs/dbraw/zinc/30/50/66/288305066.db2.gz VEVUNVQUZZYRMO-ZYHUDNBSSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000363407277 289089548 /nfs/dbraw/zinc/08/95/48/289089548.db2.gz VNXSSWZVGVSKHO-STQMWFEESA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414216 289091189 /nfs/dbraw/zinc/09/11/89/289091189.db2.gz LGTVOVNXDVZNSX-HLLBOEOZSA-N 1 0 301.390 2.511 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414217 289092103 /nfs/dbraw/zinc/09/21/03/289092103.db2.gz LGTVOVNXDVZNSX-INMHGKMJSA-N 1 0 301.390 2.511 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415700985 289121339 /nfs/dbraw/zinc/12/13/39/289121339.db2.gz NQHPKYFQINTYBI-GXFFZTMASA-N 1 0 320.393 2.846 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415705884 289122103 /nfs/dbraw/zinc/12/21/03/289122103.db2.gz UKVYGAWFNQDREM-LLVKDONJSA-N 1 0 320.393 2.623 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@H]1C[NH3+] ZINC000415764810 289132421 /nfs/dbraw/zinc/13/24/21/289132421.db2.gz QAUPYMWTOKTXDI-ZDUSSCGKSA-N 1 0 306.366 2.502 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415764803 289132445 /nfs/dbraw/zinc/13/24/45/289132445.db2.gz QAUPYMWTOKTXDI-CYBMUJFWSA-N 1 0 306.366 2.502 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000415764526 289132718 /nfs/dbraw/zinc/13/27/18/289132718.db2.gz PRPOWETVGHYDLJ-YPMHNXCESA-N 1 0 320.393 2.667 20 5 DFBDRO CS[C@@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000436426447 297002879 /nfs/dbraw/zinc/00/28/79/297002879.db2.gz DKZYMKWFCVFBGU-HZPDHXFCSA-N 1 0 321.446 2.919 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CCC[NH+]1CCCC1 ZINC000281226472 295255122 /nfs/dbraw/zinc/25/51/22/295255122.db2.gz FBVVQVRUHHDJBW-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000163234873 295421502 /nfs/dbraw/zinc/42/15/02/295421502.db2.gz XJXGHUGXDMBEIR-UKPHBRMFSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1cc(NC[C@@H]2CC[C@@H](C)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397938329 295489334 /nfs/dbraw/zinc/48/93/34/295489334.db2.gz YLHWIGOWSMHPIX-YPMHNXCESA-N 1 0 301.346 2.853 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411951109 295570780 /nfs/dbraw/zinc/57/07/80/295570780.db2.gz PQRSVDMXDFNUCO-BZNIZROVSA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411969170 295572245 /nfs/dbraw/zinc/57/22/45/295572245.db2.gz LGCFCXGPYGCEOM-BZNIZROVSA-N 1 0 308.378 2.897 20 5 DFBDRO CC[NH+](CC)CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439114296 297115804 /nfs/dbraw/zinc/11/58/04/297115804.db2.gz BKRHZNMIZCXIGE-NSHDSACASA-N 1 0 315.801 2.753 20 5 DFBDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000439683661 297134997 /nfs/dbraw/zinc/13/49/97/297134997.db2.gz UTWFDUUHWNLKMW-INIZCTEOSA-N 1 0 319.405 2.835 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000441518135 297185523 /nfs/dbraw/zinc/18/55/23/297185523.db2.gz XOXZJHIZSXZOMM-OLZOCXBDSA-N 1 0 305.378 2.633 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750196 297248660 /nfs/dbraw/zinc/24/86/60/297248660.db2.gz YZSFRYGZVGJPBN-GOEBONIOSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000444750088 297248688 /nfs/dbraw/zinc/24/86/88/297248688.db2.gz XOSUIXKULAOQDC-HUUCEWRRSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000444765270 297249658 /nfs/dbraw/zinc/24/96/58/297249658.db2.gz DHEYWQMYKGZMAS-ZDUSSCGKSA-N 1 0 305.378 2.562 20 5 DFBDRO CC[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1)[NH+](CC)CC ZINC000446426333 297282809 /nfs/dbraw/zinc/28/28/09/297282809.db2.gz YZDRGMOOUOFRFB-INIZCTEOSA-N 1 0 319.405 2.600 20 5 DFBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000446843383 297288424 /nfs/dbraw/zinc/28/84/24/297288424.db2.gz MXKXUAVIZZZDAT-OAHLLOKOSA-N 1 0 308.378 2.898 20 5 DFBDRO COCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000447085429 297294923 /nfs/dbraw/zinc/29/49/23/297294923.db2.gz IQCJFLLTBBHUDE-AWEZNQCLSA-N 1 0 314.769 2.533 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCOC2CCCC2)n1 ZINC000447550477 297308041 /nfs/dbraw/zinc/30/80/41/297308041.db2.gz NHCHEUDDSDJIIA-LSDHHAIUSA-N 1 0 322.409 2.824 20 5 DFBDRO CCCN(CC)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447562595 297308758 /nfs/dbraw/zinc/30/87/58/297308758.db2.gz MKTBOGDSFMTWFI-HUUCEWRRSA-N 1 0 323.441 2.597 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccncc2)n1 ZINC000447575447 297308928 /nfs/dbraw/zinc/30/89/28/297308928.db2.gz SPXWMAACQBTYDZ-CABCVRRESA-N 1 0 315.377 2.502 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CC(F)(F)F)CCC2 ZINC000447580241 297309234 /nfs/dbraw/zinc/30/92/34/297309234.db2.gz NQNXNSWEFWLVFC-GXFFZTMASA-N 1 0 318.295 2.875 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2cscn2)n1 ZINC000447584125 297309475 /nfs/dbraw/zinc/30/94/75/297309475.db2.gz DYYNKMQEFXPTTG-CHWSQXEVSA-N 1 0 321.406 2.564 20 5 DFBDRO C[NH+](C)CCN(CC1CCCCC1)c1ccc([N+](=O)[O-])cn1 ZINC000448123082 297333140 /nfs/dbraw/zinc/33/31/40/297333140.db2.gz BJGIBVVEZUWACO-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@@H]1CCCO1 ZINC000449067204 297399890 /nfs/dbraw/zinc/39/98/90/297399890.db2.gz JISUXUMAJIYTBP-ZBFHGGJFSA-N 1 0 322.405 2.701 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449077307 297401831 /nfs/dbraw/zinc/40/18/31/297401831.db2.gz VOGWMVNIWSDIOU-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449129723 297410054 /nfs/dbraw/zinc/41/00/54/297410054.db2.gz WDASLANEDKKVRJ-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000449164937 297416113 /nfs/dbraw/zinc/41/61/13/297416113.db2.gz RYJAUTHYBPVFAG-UIBBOPPKSA-N 1 0 304.390 2.929 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449327597 297446666 /nfs/dbraw/zinc/44/66/66/297446666.db2.gz FMWLUFKKVWWEGI-JTQLQIEISA-N 1 0 306.391 2.518 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)nnn2C)c1ccc([N+](=O)[O-])cc1 ZINC000449346762 297451285 /nfs/dbraw/zinc/45/12/85/297451285.db2.gz DBZWUEMCDZYSRU-NSHDSACASA-N 1 0 311.345 2.727 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449510409 297482838 /nfs/dbraw/zinc/48/28/38/297482838.db2.gz LBJDEJYMEYUPLS-OSZGCLPASA-N 1 0 318.373 2.929 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2ccncc2)C1 ZINC000449535398 297487841 /nfs/dbraw/zinc/48/78/41/297487841.db2.gz HPYUNRJSPHSKQH-NVXWUHKLSA-N 1 0 313.357 3.000 20 5 DFBDRO CC[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)O ZINC000449538122 297488574 /nfs/dbraw/zinc/48/85/74/297488574.db2.gz HABZTWWCCHZNHH-QMTHXVAHSA-N 1 0 321.402 2.967 20 5 DFBDRO CCc1cc(N2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc[nH+]1 ZINC000450254442 297603218 /nfs/dbraw/zinc/60/32/18/297603218.db2.gz IQLNHNUJJGRBEF-UHFFFAOYSA-N 1 0 312.373 2.879 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000450476955 297638050 /nfs/dbraw/zinc/63/80/50/297638050.db2.gz TUPVHCLTYAIELK-UHFFFAOYSA-N 1 0 317.393 2.783 20 5 DFBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451489218 297814879 /nfs/dbraw/zinc/81/48/79/297814879.db2.gz NNNWEPGSBQECCD-BBRMVZONSA-N 1 0 318.377 2.764 20 5 DFBDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000451593644 297841135 /nfs/dbraw/zinc/84/11/35/297841135.db2.gz CZDLJFUFGLGLKS-RHSMWYFYSA-N 1 0 324.421 2.852 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453136087 298066379 /nfs/dbraw/zinc/06/63/79/298066379.db2.gz HFRNQISFNBOEFJ-CABCVRRESA-N 1 0 306.362 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1(CO)CC1)C1CC1 ZINC000453338206 298084752 /nfs/dbraw/zinc/08/47/52/298084752.db2.gz KAAANSKLYRIISZ-OAHLLOKOSA-N 1 0 304.390 2.668 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[C@@H]2CCOC2)n1 ZINC000453341183 298084772 /nfs/dbraw/zinc/08/47/72/298084772.db2.gz COAVRGUOGWIHNP-RBSFLKMASA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[C@@H]2CCOC2)n1 ZINC000453341181 298084921 /nfs/dbraw/zinc/08/49/21/298084921.db2.gz COAVRGUOGWIHNP-QLFBSQMISA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000453415061 298092349 /nfs/dbraw/zinc/09/23/49/298092349.db2.gz XACSVVHRTGBSFE-CYBMUJFWSA-N 1 0 314.389 2.847 20 5 DFBDRO CC[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cccc([N+](=O)[O-])c1 ZINC000453444291 298096639 /nfs/dbraw/zinc/09/66/39/298096639.db2.gz OILFGDSULAJABP-BPUTZDHNSA-N 1 0 317.389 2.789 20 5 DFBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)O1 ZINC000453623526 298106309 /nfs/dbraw/zinc/10/63/09/298106309.db2.gz BPIKIGXLNDCPTM-CABZTGNLSA-N 1 0 316.304 2.853 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000454153691 298128097 /nfs/dbraw/zinc/12/80/97/298128097.db2.gz VCTJMHUAWKHRAY-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1[nH]nc2ncc(CN(C)Cc3ccccc3[N+](=O)[O-])cc12 ZINC000507145634 300233661 /nfs/dbraw/zinc/23/36/61/300233661.db2.gz SODPUVUPQZHRPI-UHFFFAOYSA-N 1 0 311.345 2.807 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514888418 300278059 /nfs/dbraw/zinc/27/80/59/300278059.db2.gz UPMPFFZMQUJNEI-BETUJISGSA-N 1 0 323.393 2.515 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000515343035 300301215 /nfs/dbraw/zinc/30/12/15/300301215.db2.gz UWHKVUWOTSKKQY-MGPQQGTHSA-N 1 0 312.373 2.707 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000515343033 300301431 /nfs/dbraw/zinc/30/14/31/300301431.db2.gz UWHKVUWOTSKKQY-HZSPNIEDSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC23CCC(CC2)C3)c1 ZINC000515414696 300305831 /nfs/dbraw/zinc/30/58/31/300305831.db2.gz MFPYMFZNDVGRDQ-GULBITTBSA-N 1 0 320.389 2.504 20 5 DFBDRO Cc1cccc(N2CCC[C@H]([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000516663689 300354753 /nfs/dbraw/zinc/35/47/53/300354753.db2.gz XWPPHKLNCYYQFC-HNNXBMFYSA-N 1 0 319.405 2.594 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nccc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000516857541 300364110 /nfs/dbraw/zinc/36/41/10/300364110.db2.gz FXQIVBHBDVTAFV-VBNZEHGJSA-N 1 0 312.373 2.707 20 5 DFBDRO CC(C)[NH2+]CCCNC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000516916871 300369016 /nfs/dbraw/zinc/36/90/16/300369016.db2.gz ZUSOWLXBQSBOTM-UHFFFAOYSA-N 1 0 322.409 2.517 20 5 DFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000519180542 300446687 /nfs/dbraw/zinc/44/66/87/300446687.db2.gz VQYUDNHHDMCXRY-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CCOC(=O)C1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000520252866 300491081 /nfs/dbraw/zinc/49/10/81/300491081.db2.gz IZWHOEKYEMVVEH-CQSZACIVSA-N 1 0 318.373 2.905 20 5 DFBDRO CC(C)[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000531528148 301095024 /nfs/dbraw/zinc/09/50/24/301095024.db2.gz WEIKMLHMEVCWRL-LBPRGKRZSA-N 1 0 306.362 2.939 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531693495 301104096 /nfs/dbraw/zinc/10/40/96/301104096.db2.gz AYROTDBPNBUHAD-STQMWFEESA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCOC(C)(C)C1 ZINC000531704583 301105147 /nfs/dbraw/zinc/10/51/47/301105147.db2.gz MLCZMIXSJIBSGN-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCSCC1 ZINC000531718130 301106183 /nfs/dbraw/zinc/10/61/83/301106183.db2.gz OYTAWQDNINVUIK-ZDUSSCGKSA-N 1 0 309.435 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000531994847 301124326 /nfs/dbraw/zinc/12/43/26/301124326.db2.gz IWWXZSNZFLZWNQ-CZUORRHYSA-N 1 0 323.462 2.991 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532464645 301154256 /nfs/dbraw/zinc/15/42/56/301154256.db2.gz RJFVLJIJXISHCE-PWSUYJOCSA-N 1 0 317.311 2.882 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC000533237181 301192714 /nfs/dbraw/zinc/19/27/14/301192714.db2.gz BTVHDDATCQOOOJ-UHFFFAOYSA-N 1 0 319.361 2.559 20 5 DFBDRO COC(C)(C)C[N@H+](C)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000533344658 301197555 /nfs/dbraw/zinc/19/75/55/301197555.db2.gz KXPXQDZNJXJXLO-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272972 301223001 /nfs/dbraw/zinc/22/30/01/301223001.db2.gz YQPBBUXWNJKPFC-STQMWFEESA-N 1 0 312.373 2.816 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN(Cc1ccc(CO)o1)C1CC1 ZINC000535072242 301247565 /nfs/dbraw/zinc/24/75/65/301247565.db2.gz RRESFAHNKURBSX-UHFFFAOYSA-N 1 0 302.330 2.845 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000535316060 301253016 /nfs/dbraw/zinc/25/30/16/301253016.db2.gz SXLJJZRLJNCXLN-GXTWGEPZSA-N 1 0 300.362 2.879 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCNC(=O)c1ccco1 ZINC000537971323 301315264 /nfs/dbraw/zinc/31/52/64/301315264.db2.gz IXRFFBQKUZQADC-GFCCVEGCSA-N 1 0 317.345 2.577 20 5 DFBDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000540325521 301361451 /nfs/dbraw/zinc/36/14/51/301361451.db2.gz PPAFPZJZFHJWTQ-CYBMUJFWSA-N 1 0 318.377 2.929 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1(C2CC2)CC1 ZINC000540753541 301368557 /nfs/dbraw/zinc/36/85/57/301368557.db2.gz QLTKDNWQIFPABG-LLVKDONJSA-N 1 0 303.362 2.844 20 5 DFBDRO C[NH+](C)CCCCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000551807202 301667923 /nfs/dbraw/zinc/66/79/23/301667923.db2.gz XNWHOEIBVBCCPS-UHFFFAOYSA-N 1 0 319.405 2.818 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000562832409 302007628 /nfs/dbraw/zinc/00/76/28/302007628.db2.gz CKODTEHSOZODRM-QWHCGFSZSA-N 1 0 307.369 2.868 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562838005 302007847 /nfs/dbraw/zinc/00/78/47/302007847.db2.gz YDJXLKWVBKDEOM-IAGOWNOFSA-N 1 0 319.405 2.580 20 5 DFBDRO C[C@H]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000563003138 302024532 /nfs/dbraw/zinc/02/45/32/302024532.db2.gz PVKDCFIAVWXSEH-STQMWFEESA-N 1 0 305.378 2.949 20 5 DFBDRO C[C@H](C(=O)N1CCCC[C@@H]1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000564714826 302152810 /nfs/dbraw/zinc/15/28/10/302152810.db2.gz NXXFUARZSWWOOW-XJKSGUPXSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564727152 302154103 /nfs/dbraw/zinc/15/41/03/302154103.db2.gz VUMKISSYXIHFFX-HNNXBMFYSA-N 1 0 313.357 2.858 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000565226158 302210391 /nfs/dbraw/zinc/21/03/91/302210391.db2.gz KIXAODDFZUKCMB-CYBMUJFWSA-N 1 0 322.409 2.698 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000565463284 302226287 /nfs/dbraw/zinc/22/62/87/302226287.db2.gz NZKBPMWWERBBBS-HEHGZKQESA-N 1 0 308.378 2.605 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CCN(C(C)C)C(=O)C1 ZINC000565628526 302233779 /nfs/dbraw/zinc/23/37/79/302233779.db2.gz ZWTUREXKJYFWCR-ZROIWOOFSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000566737107 302308152 /nfs/dbraw/zinc/30/81/52/302308152.db2.gz FMNYGFCIZBMCIS-TZMCWYRMSA-N 1 0 319.405 2.953 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000567686125 302379852 /nfs/dbraw/zinc/37/98/52/302379852.db2.gz XRFCEBKPOPOYED-RDTXWAMCSA-N 1 0 314.385 2.892 20 5 DFBDRO O=C(NCCC[NH2+]C1CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000567922724 302399501 /nfs/dbraw/zinc/39/95/01/302399501.db2.gz NHAJACVMFSEQQV-UHFFFAOYSA-N 1 0 319.386 2.681 20 5 DFBDRO CC(C)(C)CCC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568382993 302445331 /nfs/dbraw/zinc/44/53/31/302445331.db2.gz VNNQFNGMGYLDAG-ZDUSSCGKSA-N 1 0 310.394 2.750 20 5 DFBDRO CC[C@H](C)N(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000570010042 302550772 /nfs/dbraw/zinc/55/07/72/302550772.db2.gz PRRVUZXSCPSWDA-KKUMJFAQSA-N 1 0 323.441 2.595 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]C2(c3ccc(F)cc3F)CCC2)c1 ZINC000179982492 316023709 /nfs/dbraw/zinc/02/37/09/316023709.db2.gz OOIGZYMNNYZAIP-UHFFFAOYSA-N 1 0 322.315 2.739 20 5 DFBDRO C[N@H+](CCCn1ccnc1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181078441 316050595 /nfs/dbraw/zinc/05/05/95/316050595.db2.gz XQHOJNNCBRNRRB-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181835376 316074812 /nfs/dbraw/zinc/07/48/12/316074812.db2.gz OJMDSAARNBVIAO-LBPRGKRZSA-N 1 0 307.394 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CCO)C2CCCCC2)cc1 ZINC000183714889 316150793 /nfs/dbraw/zinc/15/07/93/316150793.db2.gz PPDJNKKSQUQETJ-QGZVFWFLSA-N 1 0 322.405 2.895 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000186397967 316199849 /nfs/dbraw/zinc/19/98/49/316199849.db2.gz CFTZJPFBYBHKKH-ZDUSSCGKSA-N 1 0 322.409 2.557 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000317227338 316246975 /nfs/dbraw/zinc/24/69/75/316246975.db2.gz CLWNXNVQUZMZTG-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234350 316708134 /nfs/dbraw/zinc/70/81/34/316708134.db2.gz QFQSYUNKNNAUKG-TYNCELHUSA-N 1 0 320.393 2.567 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421769870 316762306 /nfs/dbraw/zinc/76/23/06/316762306.db2.gz INOUYKCWYOGANV-ZDUSSCGKSA-N 1 0 307.394 2.672 20 5 DFBDRO CCC1(CC)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446718373 317018462 /nfs/dbraw/zinc/01/84/62/317018462.db2.gz YUUGQKTWHUFXGX-HNNXBMFYSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000449559473 317043937 /nfs/dbraw/zinc/04/39/37/317043937.db2.gz YKLKFPHUWJZYCX-UKPHBRMFSA-N 1 0 304.390 2.886 20 5 DFBDRO CC(C)[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450246471 317075644 /nfs/dbraw/zinc/07/56/44/317075644.db2.gz KVMXNJJGBXAELU-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450304443 317082585 /nfs/dbraw/zinc/08/25/85/317082585.db2.gz MCYCZPBTYIKRCY-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH+](C)CCN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000450498370 317098921 /nfs/dbraw/zinc/09/89/21/317098921.db2.gz GRFBKCQWMMAOHD-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000453265498 317173164 /nfs/dbraw/zinc/17/31/64/317173164.db2.gz CPEZNVFYBYIPQH-SCRDCRAPSA-N 1 0 308.378 2.805 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000453265497 317173429 /nfs/dbraw/zinc/17/34/29/317173429.db2.gz CPEZNVFYBYIPQH-BZPMIXESSA-N 1 0 308.378 2.805 20 5 DFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453369281 317181692 /nfs/dbraw/zinc/18/16/92/317181692.db2.gz TUBHJULESSDXKB-BZUAXINKSA-N 1 0 320.389 2.711 20 5 DFBDRO CCc1ncc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453393346 317182146 /nfs/dbraw/zinc/18/21/46/317182146.db2.gz RNVDPWAKLVFLPN-QWHCGFSZSA-N 1 0 319.365 2.615 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000458508298 317280276 /nfs/dbraw/zinc/28/02/76/317280276.db2.gz OTHNNKKCURFSFL-GFCCVEGCSA-N 1 0 322.409 2.604 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488060284 317363810 /nfs/dbraw/zinc/36/38/10/317363810.db2.gz WDQDGDTZHPBZGH-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000490918971 317539941 /nfs/dbraw/zinc/53/99/41/317539941.db2.gz GCCSMAHDUZMVRE-YVMONPNESA-N 1 0 317.389 2.599 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000565389408 317919838 /nfs/dbraw/zinc/91/98/38/317919838.db2.gz DCBBZRZJHANWTE-UHFFFAOYSA-N 1 0 314.341 2.980 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H](CO)Cc1ccco1 ZINC000566475654 317951001 /nfs/dbraw/zinc/95/10/01/317951001.db2.gz OCDGOSNLDUWLNR-MLGOLLRUSA-N 1 0 316.357 2.616 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000572829259 318005443 /nfs/dbraw/zinc/00/54/43/318005443.db2.gz NODLRTINMUPURO-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000575132468 318066076 /nfs/dbraw/zinc/06/60/76/318066076.db2.gz SDKBFBGIJBCTOL-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000575195344 318069952 /nfs/dbraw/zinc/06/99/52/318069952.db2.gz RUKUPPFJSZCGDV-ZDUSSCGKSA-N 1 0 319.405 2.689 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000575922483 318091948 /nfs/dbraw/zinc/09/19/48/318091948.db2.gz CYDKNPGEJZGJKH-GFCCVEGCSA-N 1 0 305.378 2.637 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000576443679 318126364 /nfs/dbraw/zinc/12/63/64/318126364.db2.gz YKVLPNXQMMGAMN-RDBSUJKOSA-N 1 0 319.405 2.639 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000576583813 318136025 /nfs/dbraw/zinc/13/60/25/318136025.db2.gz HQBATINUEPTJCP-IUODEOHRSA-N 1 0 319.405 2.953 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000576583818 318136227 /nfs/dbraw/zinc/13/62/27/318136227.db2.gz HQBATINUEPTJCP-WFASDCNBSA-N 1 0 319.405 2.953 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000577745400 318214650 /nfs/dbraw/zinc/21/46/50/318214650.db2.gz IRJFMQKKWNYDER-XUJVJEKNSA-N 1 0 318.373 2.904 20 5 DFBDRO COCCn1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000578028243 318233656 /nfs/dbraw/zinc/23/36/56/318233656.db2.gz VPMMHBOQIXTBFC-CYBMUJFWSA-N 1 0 318.377 2.597 20 5 DFBDRO CC1(C)CC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000578080100 318236497 /nfs/dbraw/zinc/23/64/97/318236497.db2.gz MRXWNRUMMWFOBA-GFCCVEGCSA-N 1 0 311.769 2.965 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000578519421 318266796 /nfs/dbraw/zinc/26/67/96/318266796.db2.gz FBUQMQMJKLENLP-GJZGRUSLSA-N 1 0 305.378 2.509 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H](C)O1 ZINC000578593368 318270724 /nfs/dbraw/zinc/27/07/24/318270724.db2.gz ULJQAJQCGKCNKW-JGPRNRPPSA-N 1 0 304.350 2.517 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC1(C)C ZINC000578879060 318292431 /nfs/dbraw/zinc/29/24/31/318292431.db2.gz LFNSUDXPIFZLBZ-CQSZACIVSA-N 1 0 321.377 2.710 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000578906172 318294891 /nfs/dbraw/zinc/29/48/91/318294891.db2.gz JWCRXJUVMAGIBB-GVXVVHGQSA-N 1 0 318.295 2.874 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946983 318295902 /nfs/dbraw/zinc/29/59/02/318295902.db2.gz CXVUTQKHJKYWJK-XJKSGUPXSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000578949720 318296497 /nfs/dbraw/zinc/29/64/97/318296497.db2.gz NYVXSFPNWUUEAO-QWHCGFSZSA-N 1 0 300.362 2.879 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCOCC3)c2c1 ZINC000579101758 318307209 /nfs/dbraw/zinc/30/72/09/318307209.db2.gz AQKBBWFPQMHPJW-CYBMUJFWSA-N 1 0 303.362 2.777 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000579876406 318360280 /nfs/dbraw/zinc/36/02/80/318360280.db2.gz APUCLEUZUADORD-WCQYABFASA-N 1 0 303.362 2.776 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000387556317 323326480 /nfs/dbraw/zinc/32/64/80/323326480.db2.gz VYOYIBRNGXWAAO-SMDDNHRTSA-N 1 0 307.394 2.796 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1c2ccccc2ncc1[N+](=O)[O-] ZINC000388947871 323333195 /nfs/dbraw/zinc/33/31/95/323333195.db2.gz HJWDVDUSXROELO-LBPRGKRZSA-N 1 0 302.378 2.707 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000389734532 323336304 /nfs/dbraw/zinc/33/63/04/323336304.db2.gz SSQUZIJUXKOISL-KWQFWETISA-N 1 0 314.183 2.767 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(O)CCC(C)CC1 ZINC000389928978 323339091 /nfs/dbraw/zinc/33/90/91/323339091.db2.gz YEENDEGHXQMQJD-UHFFFAOYSA-N 1 0 308.378 2.634 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](CO)C2CCCCC2)cc1 ZINC000395275248 323351999 /nfs/dbraw/zinc/35/19/99/323351999.db2.gz COEXSNNFPRDYEA-MRXNPFEDSA-N 1 0 308.378 2.504 20 5 DFBDRO [NH3+]C1(c2noc(/C=C\c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000580311169 323368774 /nfs/dbraw/zinc/36/87/74/323368774.db2.gz ZDWBLRKLENTTQC-YVMONPNESA-N 1 0 300.318 2.876 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000580573913 323407072 /nfs/dbraw/zinc/40/70/72/323407072.db2.gz SAVBEWOVRHREDB-CHWSQXEVSA-N 1 0 317.389 2.565 20 5 DFBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582542470 323690250 /nfs/dbraw/zinc/69/02/50/323690250.db2.gz XKCQFTJHPLNVGJ-IJEWVQPXSA-N 1 0 322.405 2.893 20 5 DFBDRO C[NH+](C)CCCCC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000583672176 323894727 /nfs/dbraw/zinc/89/47/27/323894727.db2.gz VZMAOUHFWOHDFQ-UHFFFAOYSA-N 1 0 319.405 2.818 20 5 DFBDRO Cc1c(C[NH+]2CCC(NC(=O)C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000298571184 533844124 /nfs/dbraw/zinc/84/41/24/533844124.db2.gz PLUUXLOUUADPAL-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1 ZINC000332523768 534317054 /nfs/dbraw/zinc/31/70/54/534317054.db2.gz QVXYKOJLJCJTGH-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000322108952 534591608 /nfs/dbraw/zinc/59/16/08/534591608.db2.gz OBNJXXFPVKWNNO-HIFRSBDPSA-N 1 0 317.389 2.507 20 5 DFBDRO CCc1nn(C)c(NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000354563137 522667093 /nfs/dbraw/zinc/66/70/93/522667093.db2.gz JDHWZJOGRMCIMU-UHFFFAOYSA-N 1 0 309.414 2.567 20 5 DFBDRO C[N@@H+]1CCCC12CCN(Cc1ccc([N+](=O)[O-])c(F)c1)CC2 ZINC000368485839 523790394 /nfs/dbraw/zinc/79/03/94/523790394.db2.gz XXAKSSZYUVQKGB-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1cc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000153782053 525192717 /nfs/dbraw/zinc/19/27/17/525192717.db2.gz FRPRXJMTJMXABT-GFCCVEGCSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000364927672 525567068 /nfs/dbraw/zinc/56/70/68/525567068.db2.gz BHNRYVUNGADTSI-GOSISDBHSA-N 1 0 312.369 2.827 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000320702347 534880994 /nfs/dbraw/zinc/88/09/94/534880994.db2.gz OJNPLAAWESYHKG-VHSXEESVSA-N 1 0 319.390 2.638 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCO[C@@H]1CCCCO1)CC2 ZINC000331965226 534884001 /nfs/dbraw/zinc/88/40/01/534884001.db2.gz BTJYRKLFHNAKSL-QGZVFWFLSA-N 1 0 320.389 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H]3CCOC4(CCC4)C3)nc2c1 ZINC000296698263 534884057 /nfs/dbraw/zinc/88/40/57/534884057.db2.gz IAKHJJDVESNJKS-NSHDSACASA-N 1 0 316.361 2.662 20 5 DFBDRO C[C@@H](O)C[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157599868 525831100 /nfs/dbraw/zinc/83/11/00/525831100.db2.gz JFLQPWJBEPYNFV-ZENOOKHLSA-N 1 0 306.406 2.913 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@@H]3CCCCO3)CC2)c1 ZINC000332530040 534886140 /nfs/dbraw/zinc/88/61/40/534886140.db2.gz GTUWBXGNXMVAHH-KRWDZBQOSA-N 1 0 319.405 2.676 20 5 DFBDRO O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@H]3CCCCO3)CC2)c1 ZINC000332530045 534886297 /nfs/dbraw/zinc/88/62/97/534886297.db2.gz GTUWBXGNXMVAHH-QGZVFWFLSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1ccc([C@]2(C)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000364846582 526051648 /nfs/dbraw/zinc/05/16/48/526051648.db2.gz JHLUBSVBXWMALG-QGZVFWFLSA-N 1 0 314.389 2.763 20 5 DFBDRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019654 526135422 /nfs/dbraw/zinc/13/54/22/526135422.db2.gz ZETBJBSRMGFHQX-OCCSQVGLSA-N 1 0 301.350 2.584 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000364245040 526137681 /nfs/dbraw/zinc/13/76/81/526137681.db2.gz PDXLWIJMCBXIAN-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000296861214 526765092 /nfs/dbraw/zinc/76/50/92/526765092.db2.gz DGIMTLSTSPPQHU-UHFFFAOYSA-N 1 0 319.405 2.622 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000292986918 527990748 /nfs/dbraw/zinc/99/07/48/527990748.db2.gz HWZVZNLKALXTOY-QGZVFWFLSA-N 1 0 322.405 2.704 20 5 DFBDRO CC1CC[NH+](CCCNc2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302023006 528242418 /nfs/dbraw/zinc/24/24/18/528242418.db2.gz GNMHJQQQAFWZTH-UHFFFAOYSA-N 1 0 307.394 2.621 20 5 DFBDRO CCC(CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1CC)[NH+](C)C ZINC000195344001 535110049 /nfs/dbraw/zinc/11/00/49/535110049.db2.gz WEZWWBJLCZJAFI-CYBMUJFWSA-N 1 0 311.430 2.898 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000357155367 535361555 /nfs/dbraw/zinc/36/15/55/535361555.db2.gz FPYMZLOGNBPURV-CQSZACIVSA-N 1 0 307.394 2.686 20 5 DFBDRO CCc1nn(C)c(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000360880777 536180843 /nfs/dbraw/zinc/18/08/43/536180843.db2.gz CDKVOWDWRILZRN-UHFFFAOYSA-N 1 0 309.414 2.615 20 5 DFBDRO C[NH2+][C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000261738311 536362344 /nfs/dbraw/zinc/36/23/44/536362344.db2.gz KJHYBBAFEBXULJ-CQSZACIVSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(-c2nn[nH]n2)c1 ZINC000820438296 599394800 /nfs/dbraw/zinc/39/48/00/599394800.db2.gz MIOIZYUSXSDMKJ-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824619737 608428894 /nfs/dbraw/zinc/42/88/94/608428894.db2.gz ZOVPMHMRQLEJES-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1ccccc1[N+](=O)[O-] ZINC000824619738 608429137 /nfs/dbraw/zinc/42/91/37/608429137.db2.gz ZOVPMHMRQLEJES-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO COc1ccc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000076682234 185031614 /nfs/dbraw/zinc/03/16/14/185031614.db2.gz RVRBGUCDVIAIAI-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO O=[N+]([O-])c1cnn(Cc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000412984558 295666108 /nfs/dbraw/zinc/66/61/08/295666108.db2.gz CUZXJXIRNUKIBR-UHFFFAOYSA-N 1 0 300.362 2.826 20 5 DFBDRO C[C@@H](O)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000278632564 214290751 /nfs/dbraw/zinc/29/07/51/214290751.db2.gz KSZZGLBNRRNQRH-LLVKDONJSA-N 1 0 321.402 2.969 20 5 DFBDRO CCn1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000278771228 214389788 /nfs/dbraw/zinc/38/97/88/214389788.db2.gz PGDVDGBHYJDVNN-INIZCTEOSA-N 1 0 300.362 2.978 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083214683 185220125 /nfs/dbraw/zinc/22/01/25/185220125.db2.gz WJNGPDLLPLEAAY-LBPRGKRZSA-N 1 0 318.377 2.510 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC12CCC2 ZINC000081545793 398357219 /nfs/dbraw/zinc/35/72/19/398357219.db2.gz INDYMLMMFDHJOX-UHFFFAOYSA-N 1 0 303.362 2.860 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000596210677 398357807 /nfs/dbraw/zinc/35/78/07/398357807.db2.gz LZBRPKOPXFAHEV-UHFFFAOYSA-N 1 0 322.409 2.514 20 5 DFBDRO COc1cc(N(C)CCC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000596185765 398350926 /nfs/dbraw/zinc/35/09/26/398350926.db2.gz PXGVFXVWMAHXGH-UHFFFAOYSA-N 1 0 301.774 2.645 20 5 DFBDRO C[NH+]1CCC2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)CC1 ZINC000596238919 398364775 /nfs/dbraw/zinc/36/47/75/398364775.db2.gz RSSOHSSCPQGQRQ-UHFFFAOYSA-N 1 0 310.785 2.565 20 5 DFBDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237410089 398369447 /nfs/dbraw/zinc/36/94/47/398369447.db2.gz DSRDFRMSVHFOMO-DGCLKSJQSA-N 1 0 319.405 2.844 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000008319223 398371881 /nfs/dbraw/zinc/37/18/81/398371881.db2.gz QZQLPGFCHVKBKY-GFCCVEGCSA-N 1 0 319.365 2.560 20 5 DFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068676 185280600 /nfs/dbraw/zinc/28/06/00/185280600.db2.gz CZNPULQJNZWBRZ-HUBLWGQQSA-N 1 0 307.394 2.939 20 5 DFBDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068679 185280700 /nfs/dbraw/zinc/28/07/00/185280700.db2.gz CZNPULQJNZWBRZ-JMSVASOKSA-N 1 0 307.394 2.939 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000596314473 398384284 /nfs/dbraw/zinc/38/42/84/398384284.db2.gz GFXYHRDUKNDHGZ-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000083445428 398387143 /nfs/dbraw/zinc/38/71/43/398387143.db2.gz ZLFJUVJTKADLBZ-NSHDSACASA-N 1 0 301.350 2.654 20 5 DFBDRO Cc1ncsc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583402 282234090 /nfs/dbraw/zinc/23/40/90/282234090.db2.gz JXVNQJYHQYDKRL-NEPJUHHUSA-N 1 0 321.406 2.830 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000592140341 398390174 /nfs/dbraw/zinc/39/01/74/398390174.db2.gz INTUUKXGHIZQMM-WBMJQRKESA-N 1 0 306.362 2.604 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790790 529709526 /nfs/dbraw/zinc/70/95/26/529709526.db2.gz AZTBWRWFYADPNK-ZFWWWQNUSA-N 1 0 308.378 2.729 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000592180379 398397170 /nfs/dbraw/zinc/39/71/70/398397170.db2.gz NVRULENNKTWTEP-YNEHKIRRSA-N 1 0 303.362 2.702 20 5 DFBDRO O=[N+]([O-])c1cnc2c(c1)CN(CCOCC1CCCC1)CC2 ZINC000459400550 299096929 /nfs/dbraw/zinc/09/69/29/299096929.db2.gz MPIRSWNCLGVGEE-UHFFFAOYSA-N 1 0 305.378 2.555 20 5 DFBDRO O=[N+]([O-])c1cnccc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000066797182 398399403 /nfs/dbraw/zinc/39/94/03/398399403.db2.gz RRZDUKZPINZZSC-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO C[C@@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000066808313 398399847 /nfs/dbraw/zinc/39/98/47/398399847.db2.gz PILKROPCZJYHKY-ZDUSSCGKSA-N 1 0 312.373 2.849 20 5 DFBDRO C[NH+](C)CCOc1ccc(CNc2ccncc2[N+](=O)[O-])cc1 ZINC000066809489 398400156 /nfs/dbraw/zinc/40/01/56/398400156.db2.gz XOCYPBMBOGRNBN-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO CCc1nn(C)c(NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000321482323 529767655 /nfs/dbraw/zinc/76/76/55/529767655.db2.gz JBUSQAUUOAGXCK-UHFFFAOYSA-N 1 0 323.441 2.957 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592254480 398407970 /nfs/dbraw/zinc/40/79/70/398407970.db2.gz FCSJILXRQKFETJ-NEPJUHHUSA-N 1 0 323.418 2.508 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596437564 398411944 /nfs/dbraw/zinc/41/19/44/398411944.db2.gz WSEPQLHLCMGYDK-ZDUSSCGKSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@@H](c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000592357032 398414765 /nfs/dbraw/zinc/41/47/65/398414765.db2.gz OZBXFXVCSJDYOV-PELKAZGASA-N 1 0 306.297 2.693 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000067160271 398420755 /nfs/dbraw/zinc/42/07/55/398420755.db2.gz VEYPZQAUMNONKM-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1c(C(=O)NCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000022623144 398419590 /nfs/dbraw/zinc/41/95/90/398419590.db2.gz NPAXAALHOKMXAA-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO Cc1c(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000067273265 398426784 /nfs/dbraw/zinc/42/67/84/398426784.db2.gz CVPLMUHZLNNPPK-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1cc(N2CCc3ccccc3[C@@H]2C[NH3+])ccc1[N+](=O)[O-] ZINC000592466965 398430473 /nfs/dbraw/zinc/43/04/73/398430473.db2.gz BZEJDVLSKGQCMS-INIZCTEOSA-N 1 0 313.357 2.666 20 5 DFBDRO C[N@H+](CC(C)(C)C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379531 398432004 /nfs/dbraw/zinc/43/20/04/398432004.db2.gz KWFBKJITKFDZSI-CQSZACIVSA-N 1 0 305.378 2.678 20 5 DFBDRO C[N@H+](CCNC(=O)OC(C)(C)C)CCc1ccc([N+](=O)[O-])cc1 ZINC000297412663 529915718 /nfs/dbraw/zinc/91/57/18/529915718.db2.gz LOFBXALRARZRCJ-UHFFFAOYSA-N 1 0 323.393 2.594 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000025424681 398440795 /nfs/dbraw/zinc/44/07/95/398440795.db2.gz MBKCDPPHXJZJRH-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@](C)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596546066 398443549 /nfs/dbraw/zinc/44/35/49/398443549.db2.gz WUVHLTSLLXMRPI-DIFFPNOSSA-N 1 0 315.373 2.906 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000592538492 398444250 /nfs/dbraw/zinc/44/42/50/398444250.db2.gz QNDWERRPPXOSNO-QEJZJMRPSA-N 1 0 305.378 2.537 20 5 DFBDRO COCC[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000268016166 398444349 /nfs/dbraw/zinc/44/43/49/398444349.db2.gz UBBSNURMSAPTKJ-ZDUSSCGKSA-N 1 0 308.378 2.863 20 5 DFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000585754767 398445293 /nfs/dbraw/zinc/44/52/93/398445293.db2.gz BPTIJMJXOBTQLF-LBPRGKRZSA-N 1 0 323.368 2.615 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]1SC ZINC000459433049 299105471 /nfs/dbraw/zinc/10/54/71/299105471.db2.gz ZYPPZFJJQPFJOT-BPLDGKMQSA-N 1 0 310.419 2.636 20 5 DFBDRO CC[C@@H](C(=O)N1CCS[C@@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413521004 295716268 /nfs/dbraw/zinc/71/62/68/295716268.db2.gz QMIVASUGEDOUTH-DZGCQCFKSA-N 1 0 323.418 2.509 20 5 DFBDRO Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596568042 398449514 /nfs/dbraw/zinc/44/95/14/398449514.db2.gz ZBVUIBXOZBTJMG-GFCCVEGCSA-N 1 0 313.423 2.512 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000089580551 398457867 /nfs/dbraw/zinc/45/78/67/398457867.db2.gz GWBXOJJOBRFOHR-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000596626741 398464002 /nfs/dbraw/zinc/46/40/02/398464002.db2.gz QMPOTGYXDQCZFB-CYBMUJFWSA-N 1 0 320.393 2.898 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000067949193 398468533 /nfs/dbraw/zinc/46/85/33/398468533.db2.gz WXAFBLFRCRROHO-CYBMUJFWSA-N 1 0 320.305 2.811 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181695301 199340404 /nfs/dbraw/zinc/34/04/04/199340404.db2.gz JXKFBZRZCBOYJL-BPUTZDHNSA-N 1 0 320.389 2.897 20 5 DFBDRO Cc1c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000286757355 219149738 /nfs/dbraw/zinc/14/97/38/219149738.db2.gz FRDOJGYHORGPMR-YOEHRIQHSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc(NC[C@@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090145369 398482863 /nfs/dbraw/zinc/48/28/63/398482863.db2.gz YJZHRCSBTIZXKQ-HUUCEWRRSA-N 1 0 305.378 2.568 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)C(C)C)cc1[N+](=O)[O-] ZINC000588231208 398490915 /nfs/dbraw/zinc/49/09/15/398490915.db2.gz HQJBNLHPTOEKFS-TZMCWYRMSA-N 1 0 310.394 2.909 20 5 DFBDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000030142110 398496249 /nfs/dbraw/zinc/49/62/49/398496249.db2.gz KVDQWFHZSMIVAK-ZDUSSCGKSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cccc([C@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000304459574 398504327 /nfs/dbraw/zinc/50/43/27/398504327.db2.gz VSGZMHAQUTYFKK-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000068443344 398504787 /nfs/dbraw/zinc/50/47/87/398504787.db2.gz JZYUJHWMHRSFEA-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000314616546 398520176 /nfs/dbraw/zinc/52/01/76/398520176.db2.gz JKSTXTHFDHNAPZ-STQMWFEESA-N 1 0 305.378 2.552 20 5 DFBDRO COC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000588959990 398520750 /nfs/dbraw/zinc/52/07/50/398520750.db2.gz UQJLZXJRUNYMKI-MRXNPFEDSA-N 1 0 303.362 2.633 20 5 DFBDRO Cc1cncc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000593020517 398522597 /nfs/dbraw/zinc/52/25/97/398522597.db2.gz NLHUASOGAJXKKB-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CN1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000593030043 398525413 /nfs/dbraw/zinc/52/54/13/398525413.db2.gz IRLGKLLUJSORGG-NVXWUHKLSA-N 1 0 303.406 2.868 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2COC)C1 ZINC000091457792 398530853 /nfs/dbraw/zinc/53/08/53/398530853.db2.gz FYFRQDMBBLPASN-ZDUSSCGKSA-N 1 0 307.394 2.885 20 5 DFBDRO CCCCOC[C@@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000279714516 215084630 /nfs/dbraw/zinc/08/46/30/215084630.db2.gz KWAQVENFKKNHGS-JKSUJKDBSA-N 1 0 310.394 2.813 20 5 DFBDRO Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000068902808 398536313 /nfs/dbraw/zinc/53/63/13/398536313.db2.gz GPNMJWTVMKRFTD-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1c(C[NH2+][C@@](C)(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000317704794 398536420 /nfs/dbraw/zinc/53/64/20/398536420.db2.gz BXGKXMRKRGPTMA-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO Cc1c(C[NH2+][C@](C)(CO)c2ccccc2)cccc1[N+](=O)[O-] ZINC000317704796 398536443 /nfs/dbraw/zinc/53/64/43/398536443.db2.gz BXGKXMRKRGPTMA-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000076225199 282562846 /nfs/dbraw/zinc/56/28/46/282562846.db2.gz SXZWCHKAILOPFQ-UHFFFAOYSA-N 1 0 313.423 2.898 20 5 DFBDRO COCC[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414185680 295775305 /nfs/dbraw/zinc/77/53/05/295775305.db2.gz CICYDIWARQFXCC-OLZOCXBDSA-N 1 0 323.393 2.574 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465685 398542922 /nfs/dbraw/zinc/54/29/22/398542922.db2.gz MCRAMIIPMNXHLK-CJNGLKHVSA-N 1 0 307.369 2.698 20 5 DFBDRO COc1ccc(CN2C[C@H](C)OCC23CCC3)cc1[N+](=O)[O-] ZINC000593093420 398543806 /nfs/dbraw/zinc/54/38/06/398543806.db2.gz SMZKFSPSDWCRDU-LBPRGKRZSA-N 1 0 306.362 2.747 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414211660 295778339 /nfs/dbraw/zinc/77/83/39/295778339.db2.gz VSLIRHZAWCBOMT-STQMWFEESA-N 1 0 323.393 2.574 20 5 DFBDRO C[C@@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000320343265 398547842 /nfs/dbraw/zinc/54/78/42/398547842.db2.gz VRLOBORNSVHUKT-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])C[C@H](C)Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000320798722 398549656 /nfs/dbraw/zinc/54/96/56/398549656.db2.gz GVFBQJWOWSLWSN-SFYZADRCSA-N 1 0 302.172 2.895 20 5 DFBDRO COc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000320602952 398548778 /nfs/dbraw/zinc/54/87/78/398548778.db2.gz XHURWXVXIITOGZ-GFCCVEGCSA-N 1 0 305.378 2.808 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)[C@H](C)O1 ZINC000414263147 295782342 /nfs/dbraw/zinc/78/23/42/295782342.db2.gz PGGVLXAIBKGDCM-KHMAMNHCSA-N 1 0 322.409 2.678 20 5 DFBDRO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1C ZINC000322378515 398557258 /nfs/dbraw/zinc/55/72/58/398557258.db2.gz MMPIQLHANBMSQY-YHWZYXNKSA-N 1 0 305.378 2.949 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c1 ZINC000589514790 398558474 /nfs/dbraw/zinc/55/84/74/398558474.db2.gz MKYGNPIKBJFKHE-RISCZKNCSA-N 1 0 304.346 2.756 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593205048 398571580 /nfs/dbraw/zinc/57/15/80/398571580.db2.gz UQTGNBPQWXLRNN-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3C[C@H]3c3ccccc3)CC2)cn1 ZINC000589741020 398573097 /nfs/dbraw/zinc/57/30/97/398573097.db2.gz FWNLIKVKOCNVDW-IRXDYDNUSA-N 1 0 324.384 2.668 20 5 DFBDRO CC[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@H]1[NH3+] ZINC000593229208 398576151 /nfs/dbraw/zinc/57/61/51/398576151.db2.gz HVLSDUBYZXMVJL-BXUZGUMPSA-N 1 0 300.362 2.707 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(c1nc3ccccc3cc1[N+](=O)[O-])C2 ZINC000593232226 398576765 /nfs/dbraw/zinc/57/67/65/398576765.db2.gz KCRFLGNDYUTWJH-GUYCJALGSA-N 1 0 312.373 2.708 20 5 DFBDRO [NH3+]CCC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593234846 398577717 /nfs/dbraw/zinc/57/77/17/398577717.db2.gz JFEDTPBKLHJKBK-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn(C)cn1 ZINC000459662741 299158778 /nfs/dbraw/zinc/15/87/78/299158778.db2.gz NSUQCOOSMMDRCO-MDWZMJQESA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589938124 398584093 /nfs/dbraw/zinc/58/40/93/398584093.db2.gz FFODGLIZPPYNOU-DGCLKSJQSA-N 1 0 318.295 2.839 20 5 DFBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000287063472 219292667 /nfs/dbraw/zinc/29/26/67/219292667.db2.gz JUHWWDQABWQQCI-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000092656569 398591022 /nfs/dbraw/zinc/59/10/22/398591022.db2.gz AFOLRJFVIIDAEY-LBPRGKRZSA-N 1 0 323.368 2.665 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597204605 398590242 /nfs/dbraw/zinc/59/02/42/398590242.db2.gz JRAREBNVLJUMRQ-ZNNBYXKUSA-N 1 0 302.374 2.845 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000597212344 398591990 /nfs/dbraw/zinc/59/19/90/398591990.db2.gz UQFARIJYQFMMLE-JSQNTXSXSA-N 1 0 302.374 2.966 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000279990170 215294924 /nfs/dbraw/zinc/29/49/24/215294924.db2.gz RXBUXRHSSXILSQ-UHFFFAOYSA-N 1 0 314.769 2.927 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000597238328 398601828 /nfs/dbraw/zinc/60/18/28/398601828.db2.gz GZYMYLIMXAALLO-GOEBONIOSA-N 1 0 324.352 2.945 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000590146280 398600153 /nfs/dbraw/zinc/60/01/53/398600153.db2.gz LAKXAFALVRNTTD-BETUJISGSA-N 1 0 314.389 2.980 20 5 DFBDRO Cc1cccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1[N+](=O)[O-] ZINC000071028857 398608394 /nfs/dbraw/zinc/60/83/94/398608394.db2.gz GHDHNZGYOZODLR-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO CCc1nn(C)c(NC[C@H](c2ccccc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092826734 398602162 /nfs/dbraw/zinc/60/21/62/398602162.db2.gz XGFAVEKVQKPMFQ-CQSZACIVSA-N 1 0 317.393 2.606 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1(CO)CCC1 ZINC000597257010 398609040 /nfs/dbraw/zinc/60/90/40/398609040.db2.gz ZVIRQOBFGUIWLX-UHFFFAOYSA-N 1 0 316.304 2.543 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000149906479 186053424 /nfs/dbraw/zinc/05/34/24/186053424.db2.gz MABGVHIXXLAVJN-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287118539 219326195 /nfs/dbraw/zinc/32/61/95/219326195.db2.gz XBUYLNKTDPHKEE-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cc(OCc2nc(C3([NH3+])CCCC3)no2)ccc1[N+](=O)[O-] ZINC000414619647 295808781 /nfs/dbraw/zinc/80/87/81/295808781.db2.gz OJHFTYFLDLOUJW-UHFFFAOYSA-N 1 0 318.333 2.593 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000072698130 398630275 /nfs/dbraw/zinc/63/02/75/398630275.db2.gz OYWIBCPDLGKCGK-GXTWGEPZSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072697852 398630650 /nfs/dbraw/zinc/63/06/50/398630650.db2.gz PVDSBCKBKPSFQF-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1[N+](=O)[O-] ZINC000152590538 186087991 /nfs/dbraw/zinc/08/79/91/186087991.db2.gz JJZDPNAFSRWYEU-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590566444 398631708 /nfs/dbraw/zinc/63/17/08/398631708.db2.gz IWDOMIURKPABGA-SWLSCSKDSA-N 1 0 319.405 2.883 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593465784 398637633 /nfs/dbraw/zinc/63/76/33/398637633.db2.gz SXGNTEWGWNNEGD-BDJLRTHQSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000593470674 398639152 /nfs/dbraw/zinc/63/91/52/398639152.db2.gz CFOMXSDUIUDMBH-KRWDZBQOSA-N 1 0 314.389 2.919 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593470107 398639469 /nfs/dbraw/zinc/63/94/69/398639469.db2.gz PSHYZJPFOZZWDX-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO CC[C@H](C)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177857190 186194562 /nfs/dbraw/zinc/19/45/62/186194562.db2.gz IPTJWWXQBNEGKZ-LBPRGKRZSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000414657068 295812591 /nfs/dbraw/zinc/81/25/91/295812591.db2.gz JKRZUECHRVTSPU-AWEZNQCLSA-N 1 0 306.366 2.542 20 5 DFBDRO CC[C@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000590652465 398645568 /nfs/dbraw/zinc/64/55/68/398645568.db2.gz CFZZUAZOAKIOSM-PWSUYJOCSA-N 1 0 304.350 2.518 20 5 DFBDRO CC1([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183887257 186227573 /nfs/dbraw/zinc/22/75/73/186227573.db2.gz LAUXRMAMCNQYCD-HNNXBMFYSA-N 1 0 320.389 2.612 20 5 DFBDRO Cc1c(NC(=O)CC[NH+]2C[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871150 398644235 /nfs/dbraw/zinc/64/42/35/398644235.db2.gz OTBMSBCAZZPLGW-RYUDHWBXSA-N 1 0 305.378 2.820 20 5 DFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000044523762 398647242 /nfs/dbraw/zinc/64/72/42/398647242.db2.gz JDBYZOPOCHUGBF-QWRGUYRKSA-N 1 0 311.407 2.649 20 5 DFBDRO C[C@@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000590659802 398647794 /nfs/dbraw/zinc/64/77/94/398647794.db2.gz USWIOYIQNAELPZ-ABAIWWIYSA-N 1 0 302.330 2.810 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194289890 186277366 /nfs/dbraw/zinc/27/73/66/186277366.db2.gz DTTWLGXHGDJYMU-UHFFFAOYSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1ccc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000237443409 186289769 /nfs/dbraw/zinc/28/97/69/186289769.db2.gz MIDWOWUQVOLTDR-OLZOCXBDSA-N 1 0 305.378 2.868 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](CC4CC4)CC3)nc2c1 ZINC000278414322 186486669 /nfs/dbraw/zinc/48/66/69/186486669.db2.gz HXNFEISKCCIEQJ-UHFFFAOYSA-N 1 0 315.377 2.757 20 5 DFBDRO Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000128507767 282981838 /nfs/dbraw/zinc/98/18/38/282981838.db2.gz JTGPQAUITVESQK-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CC[NH2+]CCNCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414834992 295823893 /nfs/dbraw/zinc/82/38/93/295823893.db2.gz ULTZEJWBUFQLDB-UHFFFAOYSA-N 1 0 319.361 2.563 20 5 DFBDRO C[NH2+]C[C@H](C)CNCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414848344 295825714 /nfs/dbraw/zinc/82/57/14/295825714.db2.gz WRSLVJZEKQTMHN-LBPRGKRZSA-N 1 0 303.362 2.800 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(CN[C@H]3CCC[NH2+]C3)cs2)c1 ZINC000414860669 295827495 /nfs/dbraw/zinc/82/74/95/295827495.db2.gz CWOUPZWCDSEDER-LBPRGKRZSA-N 1 0 318.402 2.560 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CC[NH2+]C2)s1 ZINC000414889866 295830704 /nfs/dbraw/zinc/83/07/04/295830704.db2.gz ULNKMHBDPHTPJC-LLVKDONJSA-N 1 0 303.387 2.775 20 5 DFBDRO C[C@H](C[NH3+])NCc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414925512 295836073 /nfs/dbraw/zinc/83/60/73/295836073.db2.gz ICOSIWVCLDLFHC-SECBINFHSA-N 1 0 309.753 2.945 20 5 DFBDRO C[C@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000590781098 398672940 /nfs/dbraw/zinc/67/29/40/398672940.db2.gz IBVSFLCOLPQPMY-CYBMUJFWSA-N 1 0 306.410 2.794 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459777634 299189585 /nfs/dbraw/zinc/18/95/85/299189585.db2.gz LEKYHXSKPBVRSY-NDBYEHHHSA-N 1 0 303.362 2.700 20 5 DFBDRO CCC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718930 398677081 /nfs/dbraw/zinc/67/70/81/398677081.db2.gz BJVXZDPMMZCUOE-DLBZAZTESA-N 1 0 322.405 2.957 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000459781465 299190880 /nfs/dbraw/zinc/19/08/80/299190880.db2.gz NVRULENNKTWTEP-FRRDWIJNSA-N 1 0 303.362 2.702 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)CC1CC[NH+](C)CC1 ZINC000597666801 398677186 /nfs/dbraw/zinc/67/71/86/398677186.db2.gz NKRNSBKCFARKQK-UHFFFAOYSA-N 1 0 305.378 2.882 20 5 DFBDRO CC1(C)[C@@H]2C[N@@H+](Cc3nc(-c4ccc([N+](=O)[O-])cc4)no3)C[C@@H]21 ZINC000172974018 198172456 /nfs/dbraw/zinc/17/24/56/198172456.db2.gz FJBPOGLPFBFYGQ-BETUJISGSA-N 1 0 314.345 2.733 20 5 DFBDRO COc1ccc(-c2ccc(CN[C@@H](C)[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024156 295848096 /nfs/dbraw/zinc/84/80/96/295848096.db2.gz YCUGXTPVTNEKQC-MNOVXSKESA-N 1 0 319.361 2.689 20 5 DFBDRO COc1ccc(OCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC000459792985 299194167 /nfs/dbraw/zinc/19/41/67/299194167.db2.gz VESCQQJGWSWJPJ-XBFCOCLRSA-N 1 0 306.362 2.760 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000173280397 198205733 /nfs/dbraw/zinc/20/57/33/198205733.db2.gz DXWFIWFAYDUOHJ-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277142289 213321652 /nfs/dbraw/zinc/32/16/52/213321652.db2.gz VYQPISXBPVQBNX-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277142287 213321264 /nfs/dbraw/zinc/32/12/64/213321264.db2.gz VYQPISXBPVQBNX-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@H]1O ZINC000331913296 234268788 /nfs/dbraw/zinc/26/87/88/234268788.db2.gz KUXFSHIAUOCIFP-YYQUZTFQSA-N 1 0 320.389 2.518 20 5 DFBDRO CCc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000174017903 198281765 /nfs/dbraw/zinc/28/17/65/198281765.db2.gz SJBXUWAFUCPIQK-UHFFFAOYSA-N 1 0 319.405 2.760 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000174178524 198301342 /nfs/dbraw/zinc/30/13/42/198301342.db2.gz ONVSRVIURCBKAV-AWEZNQCLSA-N 1 0 320.393 2.933 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593917817 398702998 /nfs/dbraw/zinc/70/29/98/398702998.db2.gz YBXOTAMVTUNIAB-ONGXEEELSA-N 1 0 311.407 2.554 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@H]1c1cccc(F)c1 ZINC000415118426 295860496 /nfs/dbraw/zinc/86/04/96/295860496.db2.gz DEZJRHCKHAZCDY-DLBZAZTESA-N 1 0 315.348 2.661 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597854990 398705377 /nfs/dbraw/zinc/70/53/77/398705377.db2.gz OMJALLILMYOSFN-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000597854345 398704812 /nfs/dbraw/zinc/70/48/12/398704812.db2.gz GPHRVPJOVJEPQH-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](c2ccccc2)C2CCC2)c1 ZINC000174847405 198392903 /nfs/dbraw/zinc/39/29/03/198392903.db2.gz WEBHUKUJMGRAEZ-MRXNPFEDSA-N 1 0 300.362 2.922 20 5 DFBDRO C[C@]1(c2ccccc2)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862097 198394494 /nfs/dbraw/zinc/39/44/94/198394494.db2.gz IYMSYYKEXGIVCU-KRWDZBQOSA-N 1 0 314.389 2.845 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000597925385 398722893 /nfs/dbraw/zinc/72/28/93/398722893.db2.gz ODJINPGMRPKKLJ-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000594019918 398722736 /nfs/dbraw/zinc/72/27/36/398722736.db2.gz CYBSTMXGNONFPR-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594020303 398723885 /nfs/dbraw/zinc/72/38/85/398723885.db2.gz GYTKESFUVIVACQ-UHFFFAOYSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415480552 295886355 /nfs/dbraw/zinc/88/63/55/295886355.db2.gz HOOSJGRQNLBMCP-CHWSQXEVSA-N 1 0 320.393 2.721 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594041538 398728864 /nfs/dbraw/zinc/72/88/64/398728864.db2.gz FHTYAZOUSGACAE-JKSUJKDBSA-N 1 0 308.378 2.911 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCC(F)(F)CC1 ZINC000594041233 398728657 /nfs/dbraw/zinc/72/86/57/398728657.db2.gz APTDNZLSNUSTIA-JTQLQIEISA-N 1 0 302.325 2.595 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415574223 295891627 /nfs/dbraw/zinc/89/16/27/295891627.db2.gz DAPDHDHIAADSOI-UHFFFAOYSA-N 1 0 320.393 2.995 20 5 DFBDRO CCOc1cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)ccc1[N+](=O)[O-] ZINC000276984280 213220752 /nfs/dbraw/zinc/22/07/52/213220752.db2.gz YUYGTQJWNROPEE-AWEZNQCLSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149426 398732598 /nfs/dbraw/zinc/73/25/98/398732598.db2.gz ZLVFUQJWZLUTRB-NWDGAFQWSA-N 1 0 308.357 2.582 20 5 DFBDRO CC[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1C ZINC000591152872 398733474 /nfs/dbraw/zinc/73/34/74/398733474.db2.gz NICINETWQAGNLD-VIFPVBQESA-N 1 0 318.299 2.539 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)c(F)c1 ZINC000591157146 398734129 /nfs/dbraw/zinc/73/41/29/398734129.db2.gz XUVIXTSUEJKPKA-GFCCVEGCSA-N 1 0 308.357 2.584 20 5 DFBDRO C[C@H](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000597997553 398735145 /nfs/dbraw/zinc/73/51/45/398735145.db2.gz MXWYMNJKHSPFOM-GFCCVEGCSA-N 1 0 321.421 2.962 20 5 DFBDRO COC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000112986146 398737766 /nfs/dbraw/zinc/73/77/66/398737766.db2.gz MJWJTZMHFQPEOP-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO CCC(C)(C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000074320982 398739616 /nfs/dbraw/zinc/73/96/16/398739616.db2.gz WSRMWWLRBONWKK-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO CCC(C)(C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000074320851 398740032 /nfs/dbraw/zinc/74/00/32/398740032.db2.gz VTXTXDUEHPTFGV-UHFFFAOYSA-N 1 0 305.378 2.604 20 5 DFBDRO Cc1c(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591272264 398744705 /nfs/dbraw/zinc/74/47/05/398744705.db2.gz SJCKYTUCUWIPNP-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO Cc1c(NC(=O)N2C[C@H]3CCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177097923 198667089 /nfs/dbraw/zinc/66/70/89/198667089.db2.gz PNOUJUGHMIYIIY-WCQYABFASA-N 1 0 318.377 2.604 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC/C=C\C[NH3+])cc1[N+](=O)[O-] ZINC000591306387 398746825 /nfs/dbraw/zinc/74/68/25/398746825.db2.gz DQADIMQQRIWGAC-PLNGDYQASA-N 1 0 306.366 2.529 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591288594 398745916 /nfs/dbraw/zinc/74/59/16/398745916.db2.gz MDXYHKTZFSCVSW-UHFFFAOYSA-N 1 0 306.366 2.557 20 5 DFBDRO C[C@@](CO)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000133042382 283138030 /nfs/dbraw/zinc/13/80/30/283138030.db2.gz ZFWMOXXFWLBMFP-KRWDZBQOSA-N 1 0 322.405 2.895 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1C(F)(F)F ZINC000591436902 398760205 /nfs/dbraw/zinc/76/02/05/398760205.db2.gz CMWRUKZLSJUQGE-BXKDBHETSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)cc1C(F)(F)F ZINC000591436907 398760312 /nfs/dbraw/zinc/76/03/12/398760312.db2.gz CMWRUKZLSJUQGE-SKDRFNHKSA-N 1 0 315.295 2.802 20 5 DFBDRO CC[C@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH3+] ZINC000591437264 398760725 /nfs/dbraw/zinc/76/07/25/398760725.db2.gz FSKPQVCWSRXUOQ-NHYWBVRUSA-N 1 0 300.362 2.707 20 5 DFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000591437543 398760881 /nfs/dbraw/zinc/76/08/81/398760881.db2.gz KQSPPOMJSMARIR-KOLCDFICSA-N 1 0 315.320 2.760 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CCC2(CC[NH2+]C2)CC1 ZINC000591440664 398761128 /nfs/dbraw/zinc/76/11/28/398761128.db2.gz HHBPEVOZUUZHKM-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591442489 398761615 /nfs/dbraw/zinc/76/16/15/398761615.db2.gz PUWLDXUYEITHHV-STQMWFEESA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1cc(N2CC[NH2+]C[C@@](C)(F)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591442121 398761486 /nfs/dbraw/zinc/76/14/86/398761486.db2.gz DKWABLJPVRVOFZ-MRXNPFEDSA-N 1 0 318.352 2.589 20 5 DFBDRO COc1cc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)ccc1O ZINC000080847243 192194792 /nfs/dbraw/zinc/19/47/92/192194792.db2.gz HOCXOJHWGNTRRW-UHFFFAOYSA-N 1 0 302.330 2.941 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000080714894 192184986 /nfs/dbraw/zinc/18/49/86/192184986.db2.gz SBSLTBJPIJCXHP-AGUYFDCRSA-N 1 0 317.389 2.648 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000081361955 192256558 /nfs/dbraw/zinc/25/65/58/192256558.db2.gz MDQKJUDRXOLIJW-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577862 398772996 /nfs/dbraw/zinc/77/29/96/398772996.db2.gz JUQXSTKUBMSHRL-GXTWGEPZSA-N 1 0 307.394 2.786 20 5 DFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)C1CC[NH2+]CC1 ZINC000236838599 202032824 /nfs/dbraw/zinc/03/28/24/202032824.db2.gz NXGLPKLOPHACLK-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261895 398779673 /nfs/dbraw/zinc/77/96/73/398779673.db2.gz HXHOAPCXCUKGPH-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000075021106 398779821 /nfs/dbraw/zinc/77/98/21/398779821.db2.gz NUYBQTQYWAFHAT-VNHYZAJKSA-N 1 0 308.378 2.597 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc(SC)ccc1[N+](=O)[O-] ZINC000236928567 202077422 /nfs/dbraw/zinc/07/74/22/202077422.db2.gz OXVQYZYXZWEOPC-SNVBAGLBSA-N 1 0 311.407 2.564 20 5 DFBDRO CC1(C)CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591762997 398785534 /nfs/dbraw/zinc/78/55/34/398785534.db2.gz USPDCQMYBDPXAN-UONOGXRCSA-N 1 0 322.405 2.893 20 5 DFBDRO CC1(C)CCC([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000591742298 398784149 /nfs/dbraw/zinc/78/41/49/398784149.db2.gz FVYXQLHIWNLQRT-HNNXBMFYSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)c2ccc(CC)c([N+](=O)[O-])c2)CC1 ZINC000237039290 202132125 /nfs/dbraw/zinc/13/21/25/202132125.db2.gz ZRXBLLGQIHAPIA-UHFFFAOYSA-N 1 0 319.405 2.619 20 5 DFBDRO CCOc1cc(C[N@H+](CCC(=O)OC)C(C)C)ccc1[N+](=O)[O-] ZINC000276929725 213182692 /nfs/dbraw/zinc/18/26/92/213182692.db2.gz QPEUBXRTCIGQHA-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CCC1CC1 ZINC000135311879 283215409 /nfs/dbraw/zinc/21/54/09/283215409.db2.gz YRFQWXQNFCPLNX-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@]2(CC)CO)ccc1[N+](=O)[O-] ZINC000276919021 213176349 /nfs/dbraw/zinc/17/63/49/213176349.db2.gz OQRBZVBOLAAPLG-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)ccc1[N+](=O)[O-] ZINC000276898912 213162506 /nfs/dbraw/zinc/16/25/06/213162506.db2.gz LGXJEPBHMFVYMO-CQSZACIVSA-N 1 0 310.394 2.832 20 5 DFBDRO COc1ccc(C[NH2+]Cc2ccc3c(c2)OCO3)cc1[N+](=O)[O-] ZINC000237252836 202206051 /nfs/dbraw/zinc/20/60/51/202206051.db2.gz SYBOCOGSWVREOP-UHFFFAOYSA-N 1 0 316.313 2.622 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(COC)CC2)ccc1[N+](=O)[O-] ZINC000276853231 213135642 /nfs/dbraw/zinc/13/56/42/213135642.db2.gz FDYGWFLJHOVEDE-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)COCC(C)C ZINC000151435364 283284312 /nfs/dbraw/zinc/28/43/12/283284312.db2.gz VTYXAVZWHDYYJE-ZFWWWQNUSA-N 1 0 310.394 2.587 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000594502778 398811625 /nfs/dbraw/zinc/81/16/25/398811625.db2.gz RPAQMIGLKSUNHW-BBRMVZONSA-N 1 0 324.384 2.846 20 5 DFBDRO C[C@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594508523 398812916 /nfs/dbraw/zinc/81/29/16/398812916.db2.gz COCOZCVNFPWXDC-XQLPTFJDSA-N 1 0 321.421 2.743 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCN(c2ccccn2)CC1 ZINC000075621951 398813092 /nfs/dbraw/zinc/81/30/92/398813092.db2.gz WABXQKCNHAHFDZ-CQSZACIVSA-N 1 0 312.373 2.873 20 5 DFBDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000179455739 199039552 /nfs/dbraw/zinc/03/95/52/199039552.db2.gz NXYCGRWPKJUHJM-CQSZACIVSA-N 1 0 319.405 2.592 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000276739175 213078710 /nfs/dbraw/zinc/07/87/10/213078710.db2.gz ADXRVNXWUCRCTC-NWDGAFQWSA-N 1 0 304.346 2.731 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000594515420 398813771 /nfs/dbraw/zinc/81/37/71/398813771.db2.gz PZPUIEQQEVIYIY-LBPRGKRZSA-N 1 0 308.378 2.971 20 5 DFBDRO CC(C)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075626948 398814044 /nfs/dbraw/zinc/81/40/44/398814044.db2.gz XIEHKCNOVGLNLK-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000075667360 398816147 /nfs/dbraw/zinc/81/61/47/398816147.db2.gz KZUFQMAISIXTMY-ZDUSSCGKSA-N 1 0 311.357 2.503 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ncc(C)cc2C)cc1[N+](=O)[O-] ZINC000594523730 398816292 /nfs/dbraw/zinc/81/62/92/398816292.db2.gz ZTALCGQJLDEYKS-UHFFFAOYSA-N 1 0 315.373 2.948 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000594592480 398826115 /nfs/dbraw/zinc/82/61/15/398826115.db2.gz XGCRHEPMOMLCHD-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO CC(C)(C)[C@H]([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594653980 398838526 /nfs/dbraw/zinc/83/85/26/398838526.db2.gz RUAYVMXLILZTDT-GFCCVEGCSA-N 1 0 309.757 2.875 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594693847 398844046 /nfs/dbraw/zinc/84/40/46/398844046.db2.gz WLSBZVAQDJCFEY-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO CCOc1cncc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000598630689 398844210 /nfs/dbraw/zinc/84/42/10/398844210.db2.gz JWNBOAWQUUETIR-UHFFFAOYSA-N 1 0 317.345 2.687 20 5 DFBDRO COc1ccc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)cc1[N+](=O)[O-] ZINC000598648235 398847616 /nfs/dbraw/zinc/84/76/16/398847616.db2.gz PBHSGBIDZXJCAX-ZDUSSCGKSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1cnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC000594697882 398844867 /nfs/dbraw/zinc/84/48/67/398844867.db2.gz TYAKSTBXRAQIMN-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598647038 398846786 /nfs/dbraw/zinc/84/67/86/398846786.db2.gz JSVZRGQGKDEEJZ-AWEZNQCLSA-N 1 0 308.378 2.586 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000467631418 299273789 /nfs/dbraw/zinc/27/37/89/299273789.db2.gz XHGTUUGODBHHOO-OAHLLOKOSA-N 1 0 321.421 2.863 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000052862992 398853624 /nfs/dbraw/zinc/85/36/24/398853624.db2.gz XSXLSWKTZBKVII-AWEZNQCLSA-N 1 0 316.361 2.708 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CCCC1CCC1 ZINC000594732379 398850584 /nfs/dbraw/zinc/85/05/84/398850584.db2.gz KAZOWYCIBMXHHY-CQSZACIVSA-N 1 0 308.378 2.504 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000153089389 283351898 /nfs/dbraw/zinc/35/18/98/283351898.db2.gz JKAORQWQLZNITB-GFCCVEGCSA-N 1 0 318.377 2.620 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(Cl)c1 ZINC000180720933 199200947 /nfs/dbraw/zinc/20/09/47/199200947.db2.gz XTGIJMGHNOHNPV-SECBINFHSA-N 1 0 312.732 2.935 20 5 DFBDRO COC[C@H](CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000594956728 398881100 /nfs/dbraw/zinc/88/11/00/398881100.db2.gz ZRJUKANRTQFMPA-WQMJKPAKSA-N 1 0 308.378 2.639 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594961520 398882625 /nfs/dbraw/zinc/88/26/25/398882625.db2.gz ODCMNNBDILWYGE-VWVPQACVSA-N 1 0 310.419 2.683 20 5 DFBDRO COc1cc(C[NH2+]CC[C@@]2(C)CC2(F)F)c([N+](=O)[O-])cc1O ZINC000594977681 398885872 /nfs/dbraw/zinc/88/58/72/398885872.db2.gz NLPMJMUJWORQGA-ZDUSSCGKSA-N 1 0 316.304 2.834 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000594984959 398886138 /nfs/dbraw/zinc/88/61/38/398886138.db2.gz XCHAAXBRKHBPBY-HYXAFXHYSA-N 1 0 302.374 2.749 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594993801 398888022 /nfs/dbraw/zinc/88/80/22/398888022.db2.gz QSXUUTAEGBJPTI-CQSZACIVSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000594995050 398888450 /nfs/dbraw/zinc/88/84/50/398888450.db2.gz YQXYIYNQPKBDAK-ZDUSSCGKSA-N 1 0 319.405 2.640 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCN2Cc2ccccc2)c1 ZINC000594999126 398888626 /nfs/dbraw/zinc/88/86/26/398888626.db2.gz NECMCOCVRYRICV-SFHVURJKSA-N 1 0 311.385 2.959 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000468642112 299280990 /nfs/dbraw/zinc/28/09/90/299280990.db2.gz IBXGSPZSHXYNMV-BLMSOEDDSA-N 1 0 312.373 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595006033 398890377 /nfs/dbraw/zinc/89/03/77/398890377.db2.gz FFZYEBBRDATMTO-CHWSQXEVSA-N 1 0 319.405 2.738 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000468739897 299281480 /nfs/dbraw/zinc/28/14/80/299281480.db2.gz SLNDKNNAEMSKDL-XCHKQJEOSA-N 1 0 312.373 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000595007674 398890848 /nfs/dbraw/zinc/89/08/48/398890848.db2.gz QKEUPUUWYOQIHF-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO O=C(NCCC[NH2+]C1CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915812 398892792 /nfs/dbraw/zinc/89/27/92/398892792.db2.gz QDUBCBIMWNOZOR-UHFFFAOYSA-N 1 0 312.757 2.512 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000237836151 283405871 /nfs/dbraw/zinc/40/58/71/283405871.db2.gz YIAXLAKPLQILEI-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000595029857 398895311 /nfs/dbraw/zinc/89/53/11/398895311.db2.gz ZROXAEHQVFBVQI-OBJOEFQTSA-N 1 0 308.378 2.805 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595041957 398896375 /nfs/dbraw/zinc/89/63/75/398896375.db2.gz RHYMXXRQCQVRKN-OLZOCXBDSA-N 1 0 309.410 2.984 20 5 DFBDRO COC1CC(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595047636 398897511 /nfs/dbraw/zinc/89/75/11/398897511.db2.gz DKOWOJYSBKDIAH-NEXFUWMNSA-N 1 0 322.409 2.680 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000595062303 398900659 /nfs/dbraw/zinc/90/06/59/398900659.db2.gz VXTQBTLIBXBCSU-DVOMOZLQSA-N 1 0 308.378 2.605 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000595074157 398901956 /nfs/dbraw/zinc/90/19/56/398901956.db2.gz UHNJUNICTNHBNQ-BBRMVZONSA-N 1 0 322.405 2.995 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([S@@](C)=O)CCC1 ZINC000280981865 216002900 /nfs/dbraw/zinc/00/29/00/216002900.db2.gz JBZUYRKAJDTTDW-MCMMXHMISA-N 1 0 324.446 2.807 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000598985650 398903925 /nfs/dbraw/zinc/90/39/25/398903925.db2.gz XNZBJOLASPAUMX-ZDUSSCGKSA-N 1 0 308.378 2.900 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000144598889 398906505 /nfs/dbraw/zinc/90/65/05/398906505.db2.gz UOWUFCZHRBSACN-UHFFFAOYSA-N 1 0 319.405 2.716 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)n1 ZINC000054676754 398907271 /nfs/dbraw/zinc/90/72/71/398907271.db2.gz HXRPRWPTJAIZEL-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO C[NH2+]C[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595232067 398911750 /nfs/dbraw/zinc/91/17/50/398911750.db2.gz SSWJJHSYLIBKQL-JTQLQIEISA-N 1 0 308.382 2.622 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000187676995 200143261 /nfs/dbraw/zinc/14/32/61/200143261.db2.gz YAEBVGDJKPULEA-VQISRLSMSA-N 1 0 308.378 2.804 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187830609 200162925 /nfs/dbraw/zinc/16/29/25/200162925.db2.gz FSVBKJUCJUXUOX-BHVCSQLQSA-N 1 0 312.435 2.615 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599083571 398918587 /nfs/dbraw/zinc/91/85/87/398918587.db2.gz ZXSSZMLMAYHLFX-RWMBFGLXSA-N 1 0 310.419 2.826 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599094869 398920572 /nfs/dbraw/zinc/92/05/72/398920572.db2.gz ZRHXUKQHJZZWFO-HOTGVXAUSA-N 1 0 317.389 2.789 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000188420660 200242852 /nfs/dbraw/zinc/24/28/52/200242852.db2.gz PLJDLIKGIPJRBJ-MRXNPFEDSA-N 1 0 300.362 2.764 20 5 DFBDRO COc1ccccc1[C@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595329370 398923051 /nfs/dbraw/zinc/92/30/51/398923051.db2.gz QZYWHMVMATYMCN-LBPRGKRZSA-N 1 0 317.345 2.889 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237741386 202344056 /nfs/dbraw/zinc/34/40/56/202344056.db2.gz IBGDVPNSGCZLRY-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000237868621 202373671 /nfs/dbraw/zinc/37/36/71/202373671.db2.gz PGSVRJFRPLZPHZ-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000188819515 200308148 /nfs/dbraw/zinc/30/81/48/200308148.db2.gz OWRXQJHPXGCTOO-UHFFFAOYSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308385 296008768 /nfs/dbraw/zinc/00/87/68/296008768.db2.gz HSKXAEDJGMDKTP-PBHICJAKSA-N 1 0 317.389 2.573 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376284 398929431 /nfs/dbraw/zinc/92/94/31/398929431.db2.gz HFCYHWZSIJPROY-WFASDCNBSA-N 1 0 309.385 2.896 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189200566 200362839 /nfs/dbraw/zinc/36/28/39/200362839.db2.gz XYQBACCPYWQQIK-QGZVFWFLSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000595387910 398930621 /nfs/dbraw/zinc/93/06/21/398930621.db2.gz FAUNKQYXFIRCMZ-GXTWGEPZSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000471803958 299306148 /nfs/dbraw/zinc/30/61/48/299306148.db2.gz KHBXQMUKUDQQHN-RYUDHWBXSA-N 1 0 302.330 2.810 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cn[nH]c1)CCCC2 ZINC000417325930 296010138 /nfs/dbraw/zinc/01/01/38/296010138.db2.gz CMFLXHXYPKPGRG-INIZCTEOSA-N 1 0 300.362 2.918 20 5 DFBDRO CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331347 296010952 /nfs/dbraw/zinc/01/09/52/296010952.db2.gz WAHSJHRZDOPQET-OAHLLOKOSA-N 1 0 319.405 2.867 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000281193077 216143049 /nfs/dbraw/zinc/14/30/49/216143049.db2.gz BVMDMBXURXBZSM-UHFFFAOYSA-N 1 0 306.366 2.544 20 5 DFBDRO COC[C@](C)(O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417351196 296012792 /nfs/dbraw/zinc/01/27/92/296012792.db2.gz RHLYQTWQUBUVJL-DLBZAZTESA-N 1 0 322.405 2.739 20 5 DFBDRO CC[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599179025 398935374 /nfs/dbraw/zinc/93/53/74/398935374.db2.gz CYKJNIRNTNRQDV-NWDGAFQWSA-N 1 0 300.362 2.720 20 5 DFBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@H](C)[NH2+]1 ZINC000599180950 398935795 /nfs/dbraw/zinc/93/57/95/398935795.db2.gz RDEKZJFJPIQRIE-NWDGAFQWSA-N 1 0 300.362 2.720 20 5 DFBDRO CO[C@H]1C[C@@H](CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000599205513 398939508 /nfs/dbraw/zinc/93/95/08/398939508.db2.gz HZNCTKVDDMJOCE-BJHJDKERSA-N 1 0 301.346 2.710 20 5 DFBDRO CCC1(CC)[C@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])[C@H](C)[C@H]1OC ZINC000595454040 398941504 /nfs/dbraw/zinc/94/15/04/398941504.db2.gz HQNGBJWONVUWGW-CUOATXAZSA-N 1 0 311.382 2.821 20 5 DFBDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474891 398946478 /nfs/dbraw/zinc/94/64/78/398946478.db2.gz HVMBXPBJHIRVRK-AWEZNQCLSA-N 1 0 323.368 2.615 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000190957642 200609576 /nfs/dbraw/zinc/60/95/76/200609576.db2.gz OXFBENFOXGYQIP-SKFMMRCFSA-N 1 0 306.362 2.785 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506727 398953520 /nfs/dbraw/zinc/95/35/20/398953520.db2.gz GZPVCETUQXJNRM-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO CC(C)([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000595512836 398954862 /nfs/dbraw/zinc/95/48/62/398954862.db2.gz WBXWEPPWIDBVQS-LBPRGKRZSA-N 1 0 300.305 2.844 20 5 DFBDRO CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196102 398957136 /nfs/dbraw/zinc/95/71/36/398957136.db2.gz NYRJEOBQUXHLGW-STQMWFEESA-N 1 0 307.394 2.940 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CCCC2CCC2)CC1 ZINC000595522349 398956252 /nfs/dbraw/zinc/95/62/52/398956252.db2.gz AJJDBAOXKQBUSP-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000604561775 398958739 /nfs/dbraw/zinc/95/87/39/398958739.db2.gz YMFPHQCEPWCQIL-CQSZACIVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)cc1[N+](=O)[O-] ZINC000599354513 398960491 /nfs/dbraw/zinc/96/04/91/398960491.db2.gz PVAVZORFTBGNST-GFCCVEGCSA-N 1 0 307.394 2.716 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+](C2CC2)C2(CO)CCC2)cc1 ZINC000595542717 398963324 /nfs/dbraw/zinc/96/33/24/398963324.db2.gz WMYBKGGHCSTUCM-UHFFFAOYSA-N 1 0 320.389 2.743 20 5 DFBDRO CCN(Cc1ccc([N+](=O)[O-])cc1OC)C[C@@H]1CCC[N@@H+]1CC ZINC000599368320 398963911 /nfs/dbraw/zinc/96/39/11/398963911.db2.gz AWSLSTAYTWXBBQ-INIZCTEOSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000078559735 398965708 /nfs/dbraw/zinc/96/57/08/398965708.db2.gz HHYDJMOJWVISNJ-LBPRGKRZSA-N 1 0 322.365 2.671 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000193871144 201135911 /nfs/dbraw/zinc/13/59/11/201135911.db2.gz QDKLMOSFMRCDKI-GUTXKFCHSA-N 1 0 306.362 2.977 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193870867 201136315 /nfs/dbraw/zinc/13/63/15/201136315.db2.gz WZAJTPBXRGIMGO-ZENOOKHLSA-N 1 0 318.373 2.904 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000193884700 201139025 /nfs/dbraw/zinc/13/90/25/201139025.db2.gz HZYFIJRFLMVIQL-AEGPPILISA-N 1 0 320.389 2.847 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000194173133 201191617 /nfs/dbraw/zinc/19/16/17/201191617.db2.gz DNXPVOJLCQWODS-IUODEOHRSA-N 1 0 307.394 2.940 20 5 DFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595591050 398988154 /nfs/dbraw/zinc/98/81/54/398988154.db2.gz CJHSGZCWOJFUKR-INIZCTEOSA-N 1 0 300.358 2.630 20 5 DFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595590743 398988309 /nfs/dbraw/zinc/98/83/09/398988309.db2.gz BFYRIOCUDJVGCY-MRXNPFEDSA-N 1 0 318.348 2.769 20 5 DFBDRO CC[C@H]([NH2+]CC1(CC(=O)OC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000281553179 216379874 /nfs/dbraw/zinc/37/98/74/216379874.db2.gz CFLXMLBEVQEUCL-AWEZNQCLSA-N 1 0 306.362 2.979 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](CO)Cc1ccccc1 ZINC000595593862 398989769 /nfs/dbraw/zinc/98/97/69/398989769.db2.gz AQSHIORVRGMLMC-QGZVFWFLSA-N 1 0 300.358 2.630 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CO)Cc1ccccc1 ZINC000595595214 398990537 /nfs/dbraw/zinc/99/05/37/398990537.db2.gz IHBZKXIPZGGGMJ-QGZVFWFLSA-N 1 0 300.358 2.630 20 5 DFBDRO CCCC(C)(C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000474344542 299335298 /nfs/dbraw/zinc/33/52/98/299335298.db2.gz BDILZIBRLPJXDT-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000417819155 296054518 /nfs/dbraw/zinc/05/45/18/296054518.db2.gz BJVHSARVWMJNJK-FPMFFAJLSA-N 1 0 320.393 2.533 20 5 DFBDRO CC[C@H](NC(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417821758 296054710 /nfs/dbraw/zinc/05/47/10/296054710.db2.gz DZIKVORDWLYGQA-YDHLFZDLSA-N 1 0 320.393 2.615 20 5 DFBDRO C[C@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C ZINC000275526591 212395105 /nfs/dbraw/zinc/39/51/05/212395105.db2.gz WJHZFKPOBUTBOZ-QWRGUYRKSA-N 1 0 309.341 2.650 20 5 DFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000600230111 399015121 /nfs/dbraw/zinc/01/51/21/399015121.db2.gz ZKCLTTUENCZPRW-CYBMUJFWSA-N 1 0 323.418 2.793 20 5 DFBDRO CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1([NH+](C)C)CCC1 ZINC000275432505 212328223 /nfs/dbraw/zinc/32/82/23/212328223.db2.gz OTRCYTQTPNWCNT-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO C[NH+](C)C1(CNc2c3c(ccc2[N+](=O)[O-])NCC3)CCCC1 ZINC000618150516 399021822 /nfs/dbraw/zinc/02/18/22/399021822.db2.gz HOEHGYWNQWWEEO-UHFFFAOYSA-N 1 0 304.394 2.849 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000254989968 283839464 /nfs/dbraw/zinc/83/94/64/283839464.db2.gz XCZYNUZLRDCYCR-CINZJOAMSA-N 1 0 317.389 2.597 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000599655387 399048617 /nfs/dbraw/zinc/04/86/17/399048617.db2.gz VZTFGOKGGHZOTO-LZWOXQAQSA-N 1 0 318.373 2.758 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+](C2CC2)C2CCCC2)c1 ZINC000057619820 399052266 /nfs/dbraw/zinc/05/22/66/399052266.db2.gz UJLSKWHASMKCRA-MRXNPFEDSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600473168 399058931 /nfs/dbraw/zinc/05/89/31/399058931.db2.gz SLVHCFXYMNHXGA-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000595729071 399059166 /nfs/dbraw/zinc/05/91/66/399059166.db2.gz PSWJGEFRKJBKDS-WOSRLPQWSA-N 1 0 317.389 2.565 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000595748816 399069178 /nfs/dbraw/zinc/06/91/78/399069178.db2.gz HVKURDCSMGEZHE-CHWSQXEVSA-N 1 0 322.405 2.831 20 5 DFBDRO CC(C)OC[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000613746091 399075830 /nfs/dbraw/zinc/07/58/30/399075830.db2.gz VHPGOTVZHLVGNE-GMNBZTITSA-N 1 0 320.389 2.734 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000595766648 399077040 /nfs/dbraw/zinc/07/70/40/399077040.db2.gz YHXKLWSTOUYXGE-CYBMUJFWSA-N 1 0 302.334 2.923 20 5 DFBDRO C[C@H](O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000292803688 284008930 /nfs/dbraw/zinc/00/89/30/284008930.db2.gz MMOURYMWQYYRBX-VIFPVBQESA-N 1 0 306.284 2.816 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000595780362 399081024 /nfs/dbraw/zinc/08/10/24/399081024.db2.gz JHLSHOBYVSBGQG-OLZOCXBDSA-N 1 0 308.378 2.993 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305151363 284037016 /nfs/dbraw/zinc/03/70/16/284037016.db2.gz ADUCHSKUFVSTQD-KGLIPLIRSA-N 1 0 322.405 2.975 20 5 DFBDRO CCC(CC)CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000595836763 399106958 /nfs/dbraw/zinc/10/69/58/399106958.db2.gz ZGPLRROYQCRZHV-UHFFFAOYSA-N 1 0 309.410 2.905 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000419382966 296138345 /nfs/dbraw/zinc/13/83/45/296138345.db2.gz ZOQBWBIHBVVWPT-QJPTWQEYSA-N 1 0 321.377 2.518 20 5 DFBDRO C[C@@H]1[C@H](C)C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@H]1C ZINC000419375466 296137691 /nfs/dbraw/zinc/13/76/91/296137691.db2.gz RNFLXUDVJXLQJT-NFFDBFGFSA-N 1 0 317.389 2.676 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCC3)CC2)c1 ZINC000338651226 284131430 /nfs/dbraw/zinc/13/14/30/284131430.db2.gz MVMXVOUFCJOQOA-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419379361 296138023 /nfs/dbraw/zinc/13/80/23/296138023.db2.gz WPUIJMWBQVCYET-YVECIDJPSA-N 1 0 305.378 2.898 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419380423 296138066 /nfs/dbraw/zinc/13/80/66/296138066.db2.gz XKJOHRNBAFPMAR-FVCCEPFGSA-N 1 0 305.378 2.898 20 5 DFBDRO Cc1c(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cccc1[N+](=O)[O-] ZINC000262209876 203230587 /nfs/dbraw/zinc/23/05/87/203230587.db2.gz NYGPJIQRQMQHRF-ZAQWFSBCSA-N 1 0 317.389 2.995 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000339230049 284137772 /nfs/dbraw/zinc/13/77/72/284137772.db2.gz DXVLAIRSUYZFTR-CQSZACIVSA-N 1 0 319.405 2.818 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000600677140 399115756 /nfs/dbraw/zinc/11/57/56/399115756.db2.gz AXNYBOLLRIVGGV-UHFFFAOYSA-N 1 0 313.357 2.997 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](CC(N)=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000339534869 284144306 /nfs/dbraw/zinc/14/43/06/284144306.db2.gz RAAFJEQULLHGSA-HNNXBMFYSA-N 1 0 313.357 2.610 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2ccc(F)cc2F)cc1 ZINC000595866172 399117583 /nfs/dbraw/zinc/11/75/83/399117583.db2.gz FZNPZDAVAKPFLK-INIZCTEOSA-N 1 0 322.311 2.739 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595874597 399118939 /nfs/dbraw/zinc/11/89/39/399118939.db2.gz VNCLYNJHPXFRLK-UHFFFAOYSA-N 1 0 319.409 2.681 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)C1CC[NH+](C)CC1 ZINC000599986686 399119107 /nfs/dbraw/zinc/11/91/07/399119107.db2.gz XSQRZUPWQGZHQC-UHFFFAOYSA-N 1 0 311.407 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H](N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000600712777 399120818 /nfs/dbraw/zinc/12/08/18/399120818.db2.gz YPQCHKKIJYEFAP-RDJZCZTQSA-N 1 0 315.417 2.790 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1=CCSC1 ZINC000595889283 399123948 /nfs/dbraw/zinc/12/39/48/399123948.db2.gz UFGDLKHDCAPITN-LLVKDONJSA-N 1 0 321.402 2.527 20 5 DFBDRO CN(Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093633622 193277452 /nfs/dbraw/zinc/27/74/52/193277452.db2.gz IAHVJOXQKXHNLR-PBWFPOADSA-N 1 0 309.797 2.963 20 5 DFBDRO COc1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([N+](=O)[O-])cc1OC ZINC000093661073 193284839 /nfs/dbraw/zinc/28/48/39/193284839.db2.gz PGZHMQLCRSGYRW-TXEJJXNPSA-N 1 0 306.362 2.700 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)c1 ZINC000094001779 193337853 /nfs/dbraw/zinc/33/78/53/193337853.db2.gz PGARLAJFZZPETC-WDEREUQCSA-N 1 0 323.418 2.529 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595904049 399129200 /nfs/dbraw/zinc/12/92/00/399129200.db2.gz XIRUBLFSCDWDLI-WORXLNIRSA-N 1 0 318.373 2.833 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904791 399129324 /nfs/dbraw/zinc/12/93/24/399129324.db2.gz LACLIIVYCUWADR-YOEHRIQHSA-N 1 0 321.421 2.698 20 5 DFBDRO C[C@H](CO)[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000340404357 284181750 /nfs/dbraw/zinc/18/17/50/284181750.db2.gz BYKKLFKEHXZIFE-CYBMUJFWSA-N 1 0 315.373 2.833 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271748004 209179376 /nfs/dbraw/zinc/17/93/76/209179376.db2.gz XYCFZBFNZBMATH-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO CC[C@@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000340526240 284189496 /nfs/dbraw/zinc/18/94/96/284189496.db2.gz OWRCKVPBTVZFCI-OCCSQVGLSA-N 1 0 303.366 2.624 20 5 DFBDRO CC1(C)C[C@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccccc1 ZINC000595907531 399130378 /nfs/dbraw/zinc/13/03/78/399130378.db2.gz ACMFGDYRWKFECM-INIZCTEOSA-N 1 0 300.362 2.706 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000600746341 399134156 /nfs/dbraw/zinc/13/41/56/399134156.db2.gz RRTMEYBCJNDHGM-HZSPNIEDSA-N 1 0 317.389 2.949 20 5 DFBDRO C[NH2+]CCCNc1cc(C)c([N+](=O)[O-])cc1Br ZINC000420142572 296159576 /nfs/dbraw/zinc/15/95/76/296159576.db2.gz UROWSERIYQQNMM-UHFFFAOYSA-N 1 0 302.172 2.687 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420133078 296159234 /nfs/dbraw/zinc/15/92/34/296159234.db2.gz YSCWOUPTSCCMIV-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)nc1-c1ccc(F)cc1 ZINC000420138960 296159288 /nfs/dbraw/zinc/15/92/88/296159288.db2.gz AYZYEEDMKDDLDA-UHFFFAOYSA-N 1 0 316.336 2.596 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000420170399 296160347 /nfs/dbraw/zinc/16/03/47/296160347.db2.gz NDRBUQAOYTYPMR-SECBINFHSA-N 1 0 301.293 2.608 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420176596 296160609 /nfs/dbraw/zinc/16/06/09/296160609.db2.gz QKIQERKWONLMEA-AWEZNQCLSA-N 1 0 312.373 2.974 20 5 DFBDRO [NH3+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000420176749 296160656 /nfs/dbraw/zinc/16/06/56/296160656.db2.gz XMDVJMZNHAWLNF-NSHDSACASA-N 1 0 316.336 2.581 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000420154154 296159721 /nfs/dbraw/zinc/15/97/21/296159721.db2.gz CABMGMGPUQOWHK-NXEZZACHSA-N 1 0 315.320 2.996 20 5 DFBDRO Cc1cc(N2CCCC[C@@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420161378 296159758 /nfs/dbraw/zinc/15/97/58/296159758.db2.gz CIDAAJVOQHARCY-GFCCVEGCSA-N 1 0 300.362 2.769 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420159809 296159884 /nfs/dbraw/zinc/15/98/84/296159884.db2.gz SUOYHKLFWCBTBA-AWEZNQCLSA-N 1 0 312.373 2.845 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420163127 296160154 /nfs/dbraw/zinc/16/01/54/296160154.db2.gz ZKIVQYDSFQPMHR-LBPRGKRZSA-N 1 0 318.402 2.907 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000600762967 399138409 /nfs/dbraw/zinc/13/84/09/399138409.db2.gz YGYALYAGCAENCB-ZIAGYGMSSA-N 1 0 320.389 2.504 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1OC ZINC000274902085 212022095 /nfs/dbraw/zinc/02/20/95/212022095.db2.gz HHZGMSCAMODCPG-BNOWGMLFSA-N 1 0 314.769 2.530 20 5 DFBDRO CCC(=O)c1ccc(NCC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC000420205587 296162292 /nfs/dbraw/zinc/16/22/92/296162292.db2.gz PNYHVXCGDWUUSG-LBPRGKRZSA-N 1 0 305.378 2.989 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000060630078 399141304 /nfs/dbraw/zinc/14/13/04/399141304.db2.gz LEJDHRFKJVJYEY-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1cc(N[C@@H]2CCC[C@H]2C[NH3+])c2cccc([N+](=O)[O-])c2n1 ZINC000420197657 296161761 /nfs/dbraw/zinc/16/17/61/296161761.db2.gz MHVOSCXHSBLDMH-WCQYABFASA-N 1 0 300.362 2.991 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C2([NH2+]C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000595941419 399140791 /nfs/dbraw/zinc/14/07/91/399140791.db2.gz PCQRZBSRHVHMOH-LBPRGKRZSA-N 1 0 317.389 2.755 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([NH2+]CC3CC3)CC1)CCN2 ZINC000420199417 296162044 /nfs/dbraw/zinc/16/20/44/296162044.db2.gz LXCZUBOMPOWLFT-UHFFFAOYSA-N 1 0 316.405 2.531 20 5 DFBDRO COC(=O)c1cc(N[C@H]2CCCC[C@@H]2C[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420200785 296162064 /nfs/dbraw/zinc/16/20/64/296162064.db2.gz OHFFADVZIUHIBW-RISCZKNCSA-N 1 0 321.377 2.619 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[C@H]2CCC[NH2+]C2)c1 ZINC000420212952 296162630 /nfs/dbraw/zinc/16/26/30/296162630.db2.gz UOVZOPNNBUKGSX-GFCCVEGCSA-N 1 0 300.362 2.945 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420214672 296162848 /nfs/dbraw/zinc/16/28/48/296162848.db2.gz RJYMXOJGROPCJA-ZDUSSCGKSA-N 1 0 318.402 2.907 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420217175 296162850 /nfs/dbraw/zinc/16/28/50/296162850.db2.gz NJVFGLORPVFABZ-GHMZBOCLSA-N 1 0 318.402 2.892 20 5 DFBDRO COCC[NH2+]CCNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420219194 296163218 /nfs/dbraw/zinc/16/32/18/296163218.db2.gz PHHZQBAGWWKIRG-UHFFFAOYSA-N 1 0 321.299 2.570 20 5 DFBDRO Cc1cc(N2CC[C@H]([C@@H](C)[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420227039 296163966 /nfs/dbraw/zinc/16/39/66/296163966.db2.gz BJTADVZSAMAERG-NEPJUHHUSA-N 1 0 300.362 2.625 20 5 DFBDRO CO[C@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)[C@H](C)[NH3+] ZINC000600781170 399144222 /nfs/dbraw/zinc/14/42/22/399144222.db2.gz SYNRXMFUJXSNAB-GTNSWQLSSA-N 1 0 316.357 2.789 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420233532 296164417 /nfs/dbraw/zinc/16/44/17/296164417.db2.gz GADGNTKXWVGJDG-RKDXNWHRSA-N 1 0 301.293 2.878 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420237810 296164726 /nfs/dbraw/zinc/16/47/26/296164726.db2.gz CQPHHRXUVUSWTK-PSASIEDQSA-N 1 0 301.293 2.749 20 5 DFBDRO CC(=O)c1ccc(NC[C@H]2[NH2+]CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000420250178 296165586 /nfs/dbraw/zinc/16/55/86/296165586.db2.gz YYAHIGNYSGDQMF-OAHLLOKOSA-N 1 0 305.378 2.988 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420241790 296165113 /nfs/dbraw/zinc/16/51/13/296165113.db2.gz ONOLQUDHXSEENQ-WPRPVWTQSA-N 1 0 301.293 2.606 20 5 DFBDRO C[C@@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C[NH3+])C1 ZINC000420253233 296165888 /nfs/dbraw/zinc/16/58/88/296165888.db2.gz AKMPYZQYRNSPGN-RISCZKNCSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000596012881 399148260 /nfs/dbraw/zinc/14/82/60/399148260.db2.gz BYUKWBMEQVTBLX-LBPRGKRZSA-N 1 0 324.812 2.859 20 5 DFBDRO CCCOC[C@H]([NH3+])Cc1cccc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000600789386 399146519 /nfs/dbraw/zinc/14/65/19/399146519.db2.gz RUKOLPIWFBDHIP-MRXNPFEDSA-N 1 0 315.373 2.953 20 5 DFBDRO Cc1ccc(-c2cccc(C[C@@H](C[NH3+])CO)c2C)cc1[N+](=O)[O-] ZINC000600788890 399146844 /nfs/dbraw/zinc/14/68/44/399146844.db2.gz AYVUQBCEZZLLJT-AWEZNQCLSA-N 1 0 314.385 2.988 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000080464139 399150781 /nfs/dbraw/zinc/15/07/81/399150781.db2.gz USWGALZWUTVBLN-TZMCWYRMSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H](C[NH3+])C1 ZINC000420263572 296167071 /nfs/dbraw/zinc/16/70/71/296167071.db2.gz UDHZPCAIMKDLOZ-KOLCDFICSA-N 1 0 315.320 2.760 20 5 DFBDRO C[NH2+]Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1C ZINC000600792558 399148646 /nfs/dbraw/zinc/14/86/46/399148646.db2.gz JRYFDMNGDBFFNP-UHFFFAOYSA-N 1 0 300.358 2.824 20 5 DFBDRO CCOc1cccc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420265728 296167185 /nfs/dbraw/zinc/16/71/85/296167185.db2.gz FGJHQEKKRCADSD-KGLIPLIRSA-N 1 0 319.405 2.819 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1nc(C)ccc1[N+](=O)[O-] ZINC000420269704 296167737 /nfs/dbraw/zinc/16/77/37/296167737.db2.gz FXCKXWCJZRDLJW-CQSZACIVSA-N 1 0 300.362 2.973 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCC[C@@H]1CCC[NH2+]1 ZINC000420274386 296168193 /nfs/dbraw/zinc/16/81/93/296168193.db2.gz FURGTRSUXBGPBQ-VIFPVBQESA-N 1 0 318.299 2.953 20 5 DFBDRO C[C@@]1(F)C[NH2+]CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420274004 296168214 /nfs/dbraw/zinc/16/82/14/296168214.db2.gz XVGBCMCCSGRXPC-GFCCVEGCSA-N 1 0 321.274 2.751 20 5 DFBDRO CCOC(=O)c1cc(NCCC[C@@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC000420275537 296168385 /nfs/dbraw/zinc/16/83/85/296168385.db2.gz OCYBAHHYFFQQKC-LBPRGKRZSA-N 1 0 321.377 2.716 20 5 DFBDRO C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420290229 296169793 /nfs/dbraw/zinc/16/97/93/296169793.db2.gz VHPKRFHDUOEHAP-YPMHNXCESA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000420290227 296169817 /nfs/dbraw/zinc/16/98/17/296169817.db2.gz VHPKRFHDUOEHAP-WCQYABFASA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000420290221 296169917 /nfs/dbraw/zinc/16/99/17/296169917.db2.gz VHPKRFHDUOEHAP-AAEUAGOBSA-N 1 0 300.362 2.564 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596055724 399156575 /nfs/dbraw/zinc/15/65/75/399156575.db2.gz MYODMKLMACLZNG-GFCCVEGCSA-N 1 0 322.409 2.616 20 5 DFBDRO O=[N+]([O-])c1cc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000596059880 399158585 /nfs/dbraw/zinc/15/85/85/399158585.db2.gz VHODJXADPVWXJT-CYBMUJFWSA-N 1 0 309.435 2.868 20 5 DFBDRO Cc1c(NC(=O)N2CC[NH+](C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000264986417 204326350 /nfs/dbraw/zinc/32/63/50/204326350.db2.gz LTZUIPIKPLMRKV-UHFFFAOYSA-N 1 0 318.377 2.605 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000596082116 399166649 /nfs/dbraw/zinc/16/66/49/399166649.db2.gz GMIBLQDDIBLJEU-NSHDSACASA-N 1 0 310.785 2.708 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000282492394 217037139 /nfs/dbraw/zinc/03/71/39/217037139.db2.gz PYPVQEQAQGUBBZ-MSOLQXFVSA-N 1 0 312.369 2.727 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1Cc2ccccc2[C@H]1O ZINC000282492398 217037710 /nfs/dbraw/zinc/03/77/10/217037710.db2.gz PYPVQEQAQGUBBZ-QZTJIDSGSA-N 1 0 312.369 2.727 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584830 399170521 /nfs/dbraw/zinc/17/05/21/399170521.db2.gz OIBGQNULLAIERF-LSDHHAIUSA-N 1 0 315.377 2.534 20 5 DFBDRO CCn1nccc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000596094332 399171181 /nfs/dbraw/zinc/17/11/81/399171181.db2.gz KPFBUGFOBLTYRM-MRXNPFEDSA-N 1 0 300.362 2.978 20 5 DFBDRO COc1cc(C[NH+]2CCC3(CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000341993576 284303680 /nfs/dbraw/zinc/30/36/80/284303680.db2.gz PQQWOHSJYSWBRI-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCOCCF ZINC000596095513 399171889 /nfs/dbraw/zinc/17/18/89/399171889.db2.gz QDXZULDPEIOKTB-ZFWWWQNUSA-N 1 0 310.369 2.882 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(CO)cc1 ZINC000282554065 217085539 /nfs/dbraw/zinc/08/55/39/217085539.db2.gz XNBXSXVCRNWORF-UHFFFAOYSA-N 1 0 300.358 2.762 20 5 DFBDRO CC1(C)C[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000342346679 284329167 /nfs/dbraw/zinc/32/91/67/284329167.db2.gz LPOSZDUMCURJQI-UHFFFAOYSA-N 1 0 319.405 2.952 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(c2ncnc3sc([N+](=O)[O-])cc32)C[C@H]1C ZINC000342472175 284339478 /nfs/dbraw/zinc/33/94/78/284339478.db2.gz JXONMERNDTUCHQ-ZJUUUORDSA-N 1 0 321.406 2.518 20 5 DFBDRO [NH3+][C@@]1(CO)CCc2cc(-c3ccc(F)cc3[N+](=O)[O-])ccc2C1 ZINC000600946396 399184398 /nfs/dbraw/zinc/18/43/98/399184398.db2.gz OHDVLMXXXIQBBV-KRWDZBQOSA-N 1 0 316.332 2.579 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000600950865 399184643 /nfs/dbraw/zinc/18/46/43/399184643.db2.gz AWIZIGVGTGCWRN-MNOVXSKESA-N 1 0 317.311 2.867 20 5 DFBDRO Cc1cccc(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600953248 399185570 /nfs/dbraw/zinc/18/55/70/399185570.db2.gz XSZLPOCMRACFNS-QWRGUYRKSA-N 1 0 317.311 2.867 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000600951798 399185751 /nfs/dbraw/zinc/18/57/51/399185751.db2.gz HWEJGFSLXIBNSQ-SFYZADRCSA-N 1 0 309.313 2.620 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000600955936 399186259 /nfs/dbraw/zinc/18/62/59/399186259.db2.gz KAYQZPWVIZHHCZ-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000600960983 399188443 /nfs/dbraw/zinc/18/84/43/399188443.db2.gz KITMFKLSZLXISK-RKDXNWHRSA-N 1 0 303.284 2.645 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600960981 399188461 /nfs/dbraw/zinc/18/84/61/399188461.db2.gz KITMFKLSZLXISK-IUCAKERBSA-N 1 0 303.284 2.645 20 5 DFBDRO C[C@@H]1C[C@@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000600963267 399189292 /nfs/dbraw/zinc/18/92/92/399189292.db2.gz TXUWWPLBFHNHJE-ZWNOBZJWSA-N 1 0 316.336 2.722 20 5 DFBDRO [NH3+][C@H]1CCCCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000600958222 399187342 /nfs/dbraw/zinc/18/73/42/399187342.db2.gz DAUKYQYPGZLSOK-ZDUSSCGKSA-N 1 0 304.394 2.576 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c(Cl)cncc1[N+](=O)[O-] ZINC000596139892 399188056 /nfs/dbraw/zinc/18/80/56/399188056.db2.gz XAWCOQMHTNKVEQ-LLVKDONJSA-N 1 0 312.801 2.954 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596147045 399189840 /nfs/dbraw/zinc/18/98/40/399189840.db2.gz LXRKQHBPKUVAKS-GFCCVEGCSA-N 1 0 324.812 2.811 20 5 DFBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC000266174612 205159386 /nfs/dbraw/zinc/15/93/86/205159386.db2.gz SKHHWPILLZMOSP-CQSZACIVSA-N 1 0 310.375 2.863 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266191283 205171956 /nfs/dbraw/zinc/17/19/56/205171956.db2.gz BQRHPUBKPYCJJZ-AAEUAGOBSA-N 1 0 322.365 2.670 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000266200007 205178661 /nfs/dbraw/zinc/17/86/61/205178661.db2.gz JBAKTRIPIDWEFF-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO C[C@@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000600998531 399198812 /nfs/dbraw/zinc/19/88/12/399198812.db2.gz WQRALIZXAGWGNW-NEPJUHHUSA-N 1 0 323.368 2.584 20 5 DFBDRO C[NH+](C)C1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000420625726 296193628 /nfs/dbraw/zinc/19/36/28/296193628.db2.gz LGJCGCPXMRMRAH-UHFFFAOYSA-N 1 0 304.394 2.848 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc(F)ccc2[N+](=O)[O-])C1 ZINC000266327764 205269356 /nfs/dbraw/zinc/26/93/56/205269356.db2.gz WCQXVHYCKMWTRN-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO COCCC[N@@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000081086224 399210538 /nfs/dbraw/zinc/21/05/38/399210538.db2.gz ZVBNJEZIBOUZQC-HNNXBMFYSA-N 1 0 321.421 2.700 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000288464077 220159806 /nfs/dbraw/zinc/15/98/06/220159806.db2.gz FDLBDQWPKULFMW-ZDUSSCGKSA-N 1 0 309.410 2.813 20 5 DFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000342704659 284392061 /nfs/dbraw/zinc/39/20/61/284392061.db2.gz SBBSXKJUWFNULY-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000064343771 399220533 /nfs/dbraw/zinc/22/05/33/399220533.db2.gz FEACSKVTNWCLKY-UHFFFAOYSA-N 1 0 306.362 2.760 20 5 DFBDRO C[C@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000601129665 399235714 /nfs/dbraw/zinc/23/57/14/399235714.db2.gz WEOIOEHGZZUKGW-ZBEGNZNMSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1cnc(CN(C)[C@@H]2CCN(c3ccsc3[N+](=O)[O-])C2)o1 ZINC000601131389 399236245 /nfs/dbraw/zinc/23/62/45/399236245.db2.gz JNYIYBNVBNBPSN-LLVKDONJSA-N 1 0 322.390 2.663 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000420945308 296216043 /nfs/dbraw/zinc/21/60/43/296216043.db2.gz RNEGYJIHMBJLDC-KGLIPLIRSA-N 1 0 322.405 2.832 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccnc3ccc([N+](=O)[O-])cc32)C1 ZINC000601139687 399239542 /nfs/dbraw/zinc/23/95/42/399239542.db2.gz MFZPYWCJEFPIFK-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@H]3C[C@@H](CO)C3)cs2)c1 ZINC000601140529 399239703 /nfs/dbraw/zinc/23/97/03/399239703.db2.gz XLVABYAZCHZLAD-KLPPZKSPSA-N 1 0 319.386 2.579 20 5 DFBDRO C[NH+](C)CC1(C(=O)NCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000618815113 399241001 /nfs/dbraw/zinc/24/10/01/399241001.db2.gz VMAWSVBSMBLSKK-UHFFFAOYSA-N 1 0 319.405 2.723 20 5 DFBDRO Cc1ccc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)s1 ZINC000601150456 399241759 /nfs/dbraw/zinc/24/17/59/399241759.db2.gz XPLNIFUIMVSMAB-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO Cc1ccsc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150514 399241952 /nfs/dbraw/zinc/24/19/52/399241952.db2.gz YRAGLTTZOQDCGY-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)o1 ZINC000601156698 399244160 /nfs/dbraw/zinc/24/41/60/399244160.db2.gz WZKGUVCTSRPEHP-ZFWWWQNUSA-N 1 0 302.330 2.858 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000023991480 182371479 /nfs/dbraw/zinc/37/14/79/182371479.db2.gz PGHWEDHOZAUXKZ-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO C[N@H+](CCCCNc1ccnc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000601173401 399247823 /nfs/dbraw/zinc/24/78/23/399247823.db2.gz ZZXTTZSVRGAJBO-UHFFFAOYSA-N 1 0 314.389 2.851 20 5 DFBDRO CCC(CC)[NH2+]CCNc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC000601186619 399250487 /nfs/dbraw/zinc/25/04/87/399250487.db2.gz RWIZEFLTNYAQMT-UHFFFAOYSA-N 1 0 323.319 2.537 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421014608 296225694 /nfs/dbraw/zinc/22/56/94/296225694.db2.gz KQMJNNNXGWDNMG-CQSZACIVSA-N 1 0 322.405 2.978 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601215955 399256787 /nfs/dbraw/zinc/25/67/87/399256787.db2.gz DEMJPAPKCOIITP-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000601217431 399257371 /nfs/dbraw/zinc/25/73/71/399257371.db2.gz FNUASMUJWUMNDK-UHFFFAOYSA-N 1 0 304.394 2.835 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3sccc3[N+](=O)[O-])cn2)CC1 ZINC000601227583 399259203 /nfs/dbraw/zinc/25/92/03/399259203.db2.gz VODVMMBOZTUHOR-UHFFFAOYSA-N 1 0 307.379 2.863 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2cccc(OC)c2[N+](=O)[O-])CC1 ZINC000601229183 399259823 /nfs/dbraw/zinc/25/98/23/399259823.db2.gz HWXVHKZSKYACHJ-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601299753 399272674 /nfs/dbraw/zinc/27/26/74/399272674.db2.gz ABILBTPNZNNDJM-UWJYBYFXSA-N 1 0 306.284 2.947 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000601301362 399273276 /nfs/dbraw/zinc/27/32/76/399273276.db2.gz YWXLRAKHIKNEJQ-GIPNMCIBSA-N 1 0 320.311 2.817 20 5 DFBDRO CON1CCC([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000421391273 296252032 /nfs/dbraw/zinc/25/20/32/296252032.db2.gz AFPXSEMNQCBICH-JLHYYAGUSA-N 1 0 305.378 2.614 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000037647796 182916674 /nfs/dbraw/zinc/91/66/74/182916674.db2.gz ZXXDTHMFSUESPA-SECBINFHSA-N 1 0 314.183 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000421435856 296255144 /nfs/dbraw/zinc/25/51/44/296255144.db2.gz QCQVENXREBENGU-LSDHHAIUSA-N 1 0 317.389 2.568 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000421458265 296257161 /nfs/dbraw/zinc/25/71/61/296257161.db2.gz LBFXHPFQBGYJLO-CQSZACIVSA-N 1 0 317.389 2.520 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000421486677 296259637 /nfs/dbraw/zinc/25/96/37/296259637.db2.gz YNBNYCATKQMQNM-MRXNPFEDSA-N 1 0 319.405 2.624 20 5 DFBDRO O=C(Nc1cnn(-c2cc[nH+]cc2)c1)Nc1cccc([N+](=O)[O-])c1 ZINC000608911443 399301167 /nfs/dbraw/zinc/30/11/67/399301167.db2.gz DTZXEAXXXJQLOB-UHFFFAOYSA-N 1 0 324.300 2.820 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000609133572 399304585 /nfs/dbraw/zinc/30/45/85/399304585.db2.gz JSRRUNXIRMTORT-CYBMUJFWSA-N 1 0 303.362 2.716 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)s1 ZINC000609192799 399308237 /nfs/dbraw/zinc/30/82/37/399308237.db2.gz LHQWTMKXLLYILR-UHFFFAOYSA-N 1 0 311.407 2.713 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000609257667 399310912 /nfs/dbraw/zinc/31/09/12/399310912.db2.gz BWVHLYNGFQRBGO-OAHLLOKOSA-N 1 0 316.361 2.507 20 5 DFBDRO CC[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000609540923 399321930 /nfs/dbraw/zinc/32/19/30/399321930.db2.gz RWJBDQACTHLMPX-HIFRSBDPSA-N 1 0 308.378 2.863 20 5 DFBDRO CC(=O)c1ccc(N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000609620309 399326470 /nfs/dbraw/zinc/32/64/70/399326470.db2.gz PZVRSHWJLDYXNC-LLVKDONJSA-N 1 0 305.378 2.940 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671972 399329498 /nfs/dbraw/zinc/32/94/98/399329498.db2.gz SLRBPHFPUCYNBF-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000601738136 399329601 /nfs/dbraw/zinc/32/96/01/399329601.db2.gz JRTRXRNDEFVMBM-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO CC1CCC([NH+]2CCN(c3cccnc3[N+](=O)[O-])CC2)CC1 ZINC000609670939 399329711 /nfs/dbraw/zinc/32/97/11/399329711.db2.gz XYEFCXJZTNRPHO-UHFFFAOYSA-N 1 0 304.394 2.691 20 5 DFBDRO CSC[C@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344840313 284692060 /nfs/dbraw/zinc/69/20/60/284692060.db2.gz ZVXBQSDFTJTHSL-UNJUUPHPSA-N 1 0 310.419 2.702 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000421777373 296274751 /nfs/dbraw/zinc/27/47/51/296274751.db2.gz YYUWXYSHICIXRQ-ZDUSSCGKSA-N 1 0 321.421 2.918 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284057618 217864560 /nfs/dbraw/zinc/86/45/60/217864560.db2.gz KPHXFXUUUCQHDH-YZENIEGJSA-N 1 0 305.378 2.641 20 5 DFBDRO CCCNC(=O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344877709 284701422 /nfs/dbraw/zinc/70/14/22/284701422.db2.gz UVBUHQDHZRKCHX-RAXLEYEMSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCC2(O)CCC2)n1 ZINC000421856603 296277916 /nfs/dbraw/zinc/27/79/16/296277916.db2.gz NQBUFCNZWTXMON-KGLIPLIRSA-N 1 0 322.409 2.560 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000601791661 399337178 /nfs/dbraw/zinc/33/71/78/399337178.db2.gz OFMSDMLALVOWDY-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421895958 296279312 /nfs/dbraw/zinc/27/93/12/296279312.db2.gz YWYNYEXEDRVNHF-CHWSQXEVSA-N 1 0 305.378 2.504 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000610070357 399341145 /nfs/dbraw/zinc/34/11/45/399341145.db2.gz XNNVQFGDQUZDSJ-UHFFFAOYSA-N 1 0 321.421 2.721 20 5 DFBDRO Cc1sc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000104529149 194014665 /nfs/dbraw/zinc/01/46/65/194014665.db2.gz LYMLQRKZBQFJEL-UHFFFAOYSA-N 1 0 313.423 2.625 20 5 DFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000610133303 399343388 /nfs/dbraw/zinc/34/33/88/399343388.db2.gz BRAZZIHQOOMYNF-QWRGUYRKSA-N 1 0 302.334 2.875 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000610252171 399351053 /nfs/dbraw/zinc/35/10/53/399351053.db2.gz PKNMOSZJFLJIRW-BJJXKVORSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1c(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000104977054 194061236 /nfs/dbraw/zinc/06/12/36/194061236.db2.gz FBKUSTISAQSJJK-CYBMUJFWSA-N 1 0 318.377 2.605 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000619531377 399358892 /nfs/dbraw/zinc/35/88/92/399358892.db2.gz ZDPRWMBBTAPQCC-HNNXBMFYSA-N 1 0 316.361 2.637 20 5 DFBDRO Cn1c2ccccc2nc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000105448135 194104069 /nfs/dbraw/zinc/10/40/69/194104069.db2.gz ZNXZUFIIXRGGHY-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284872643 218216730 /nfs/dbraw/zinc/21/67/30/218216730.db2.gz BASGNDZMHKRWTQ-WCQYABFASA-N 1 0 321.377 2.513 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000610422005 399366701 /nfs/dbraw/zinc/36/67/01/399366701.db2.gz FYANJCUPWKRLCZ-HSMVNMDESA-N 1 0 305.378 2.502 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601965006 399370896 /nfs/dbraw/zinc/37/08/96/399370896.db2.gz MGRWKMCZTIUZSB-IKGGRYGDSA-N 1 0 322.405 2.548 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000610476736 399371399 /nfs/dbraw/zinc/37/13/99/399371399.db2.gz YDMCMCRNNYSVDW-JKSUJKDBSA-N 1 0 307.369 2.793 20 5 DFBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(OC)cc1 ZINC000610484996 399372141 /nfs/dbraw/zinc/37/21/41/399372141.db2.gz CJBRUHCRMDYTGC-UHFFFAOYSA-N 1 0 318.377 2.712 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(F)cc1 ZINC000285319202 218379209 /nfs/dbraw/zinc/37/92/09/218379209.db2.gz MTSXYXQNRARZPG-KRWDZBQOSA-N 1 0 318.348 2.942 20 5 DFBDRO CCN1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615837145 399388237 /nfs/dbraw/zinc/38/82/37/399388237.db2.gz OJWOFVRVUFMSIG-AXCCRNSUSA-N 1 0 303.406 2.928 20 5 DFBDRO COCCOCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268721460 206925420 /nfs/dbraw/zinc/92/54/20/206925420.db2.gz INSWZNXJJTVOLI-INIZCTEOSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000602070702 399391395 /nfs/dbraw/zinc/39/13/95/399391395.db2.gz HYQRUNGMCZQPEH-WBMJQRKESA-N 1 0 317.389 2.789 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000610674847 399391138 /nfs/dbraw/zinc/39/11/38/399391138.db2.gz KCNVBWJGAOKYHM-YPMHNXCESA-N 1 0 320.393 2.673 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(n2ccnc2)CC1 ZINC000109793633 194285083 /nfs/dbraw/zinc/28/50/83/194285083.db2.gz MLGNHNSHZSLXJS-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1cccc([N+](=O)[O-])c1 ZINC000602070713 399391555 /nfs/dbraw/zinc/39/15/55/399391555.db2.gz IDLJYVSOXGYIQD-ZDUSSCGKSA-N 1 0 317.389 2.648 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000285572121 218517383 /nfs/dbraw/zinc/51/73/83/218517383.db2.gz NTVXBRFMBNVKFC-LSDHHAIUSA-N 1 0 319.405 2.532 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346103902 284841996 /nfs/dbraw/zinc/84/19/96/284841996.db2.gz OORDXDSGSTWAGM-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000346103899 284842129 /nfs/dbraw/zinc/84/21/29/284842129.db2.gz OORDXDSGSTWAGM-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000268859631 207027493 /nfs/dbraw/zinc/02/74/93/207027493.db2.gz VIJQXVUAXRJAKY-NSHDSACASA-N 1 0 304.350 2.671 20 5 DFBDRO CN(CCc1cccc([N+](=O)[O-])c1)C(=O)C[N@H+](C)CC(C)(C)C ZINC000602152454 399402232 /nfs/dbraw/zinc/40/22/32/399402232.db2.gz VUQMRAYKLBDFTL-UHFFFAOYSA-N 1 0 321.421 2.574 20 5 DFBDRO CC(C)[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnn1C ZINC000615943376 399402619 /nfs/dbraw/zinc/40/26/19/399402619.db2.gz HXVKHYVSLSOABK-LBPRGKRZSA-N 1 0 308.407 2.919 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422709110 296319791 /nfs/dbraw/zinc/31/97/91/296319791.db2.gz CSYUJZQXBPJJIZ-ARFHVFGLSA-N 1 0 319.405 2.614 20 5 DFBDRO CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815072 399409339 /nfs/dbraw/zinc/40/93/39/399409339.db2.gz KYALUXYFBKBYBO-BBRMVZONSA-N 1 0 308.378 2.689 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000602425817 399441066 /nfs/dbraw/zinc/44/10/66/399441066.db2.gz VIXCEIJBDVAIRZ-JTQLQIEISA-N 1 0 318.295 2.818 20 5 DFBDRO CCC[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602434768 399443540 /nfs/dbraw/zinc/44/35/40/399443540.db2.gz RDYZNBSLAXINKP-UHFFFAOYSA-N 1 0 306.284 2.818 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000269063709 207212875 /nfs/dbraw/zinc/21/28/75/207212875.db2.gz UUOWVVMKXQYKLA-RHSMWYFYSA-N 1 0 320.389 2.730 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602431817 399442304 /nfs/dbraw/zinc/44/23/04/399442304.db2.gz DKHZOZQXWSVMHP-UHFFFAOYSA-N 1 0 319.405 2.650 20 5 DFBDRO Cc1cnc(N2CCC(CCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000611228019 399448057 /nfs/dbraw/zinc/44/80/57/399448057.db2.gz SORYZQRNSDJZDP-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]([NH3+])CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602462807 399450338 /nfs/dbraw/zinc/45/03/38/399450338.db2.gz RLVWNXHRQXCRKA-HUUCEWRRSA-N 1 0 307.394 2.926 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C)C2)cc1[N+](=O)[O-] ZINC000611248135 399451128 /nfs/dbraw/zinc/45/11/28/399451128.db2.gz BZNPBWKUOJFSAU-OCCSQVGLSA-N 1 0 307.394 2.738 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000602476352 399456036 /nfs/dbraw/zinc/45/60/36/399456036.db2.gz ODPRIZQSNUHPHM-CJNGLKHVSA-N 1 0 314.389 2.954 20 5 DFBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478455 399457510 /nfs/dbraw/zinc/45/75/10/399457510.db2.gz YKMBXFATLWLFAZ-SWLSCSKDSA-N 1 0 300.362 2.706 20 5 DFBDRO CC[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602494315 399460648 /nfs/dbraw/zinc/46/06/48/399460648.db2.gz NMCHLIUUTQKVKF-RNCFNFMXSA-N 1 0 318.295 2.816 20 5 DFBDRO CC(C)CC[C@H]([NH3+])C(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000602498024 399461338 /nfs/dbraw/zinc/46/13/38/399461338.db2.gz CISNYKGPXJEVDC-HNNXBMFYSA-N 1 0 319.405 2.849 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)C(C)(C)n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000602517046 399466665 /nfs/dbraw/zinc/46/66/65/399466665.db2.gz ANLGHUHYCSFFCM-VXGBXAGGSA-N 1 0 303.366 2.661 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269187843 207307321 /nfs/dbraw/zinc/30/73/21/207307321.db2.gz HDOYQSXSZUVWFW-LLVKDONJSA-N 1 0 305.334 2.588 20 5 DFBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CC[NH2+]C1 ZINC000269180792 207300518 /nfs/dbraw/zinc/30/05/18/207300518.db2.gz PRIXAWYYRICAHV-CYBMUJFWSA-N 1 0 317.345 2.555 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC[C@H]1C ZINC000602531557 399469634 /nfs/dbraw/zinc/46/96/34/399469634.db2.gz URBMQAOPSRFZOT-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO CC(C)C[C@H](C[NH+](C)C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602538290 399470819 /nfs/dbraw/zinc/47/08/19/399470819.db2.gz CAGWQIKXWSQTBE-GFCCVEGCSA-N 1 0 320.393 2.802 20 5 DFBDRO CC1(C[NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])COC1 ZINC000602543833 399471726 /nfs/dbraw/zinc/47/17/26/399471726.db2.gz AMTVKWQZVMAOLJ-UHFFFAOYSA-N 1 0 304.268 2.740 20 5 DFBDRO COc1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000066536561 184414384 /nfs/dbraw/zinc/41/43/84/184414384.db2.gz SBCATYDRIHPARN-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO CCC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000602563056 399476929 /nfs/dbraw/zinc/47/69/29/399476929.db2.gz DQFWEVKAPALGOM-UHFFFAOYSA-N 1 0 304.394 2.738 20 5 DFBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602560864 399475637 /nfs/dbraw/zinc/47/56/37/399475637.db2.gz WBQHVHFURXNATG-RQJHMYQMSA-N 1 0 323.212 2.525 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000602561140 399475721 /nfs/dbraw/zinc/47/57/21/399475721.db2.gz MQKBHTZYVFGSBN-ZDUSSCGKSA-N 1 0 307.350 2.887 20 5 DFBDRO CC(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602563616 399477606 /nfs/dbraw/zinc/47/76/06/399477606.db2.gz NFBOOJCKQRXQJC-MEDUHNTESA-N 1 0 319.361 2.887 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000602577701 399480662 /nfs/dbraw/zinc/48/06/62/399480662.db2.gz JEVCVZBBCXFHDX-SNVBAGLBSA-N 1 0 311.769 2.592 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422762131 296328811 /nfs/dbraw/zinc/32/88/11/296328811.db2.gz RSPQPUHDQYMLKZ-CYBMUJFWSA-N 1 0 305.378 2.672 20 5 DFBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602581041 399482449 /nfs/dbraw/zinc/48/24/49/399482449.db2.gz GVVXSTQQCIHGQT-MFKMUULPSA-N 1 0 305.334 2.641 20 5 DFBDRO CC[C@H](O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602576850 399481038 /nfs/dbraw/zinc/48/10/38/399481038.db2.gz QLKCSWWSDBGYIQ-ZETCQYMHSA-N 1 0 323.212 2.669 20 5 DFBDRO CCOc1cc(N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000611510286 399485264 /nfs/dbraw/zinc/48/52/64/399485264.db2.gz GXAFIBUQKHZNDO-SWLSCSKDSA-N 1 0 305.378 2.524 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000602597843 399487467 /nfs/dbraw/zinc/48/74/67/399487467.db2.gz GUSDJEQUYGXWSR-UMSPYCQHSA-N 1 0 323.418 2.564 20 5 DFBDRO CCC[N@H+](CCc1cccs1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602615537 399490970 /nfs/dbraw/zinc/49/09/70/399490970.db2.gz FCMACDIUVSKJRQ-UHFFFAOYSA-N 1 0 308.407 2.845 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000602636515 399498457 /nfs/dbraw/zinc/49/84/57/399498457.db2.gz IFINKKWEPCRIPO-GRYCIOLGSA-N 1 0 300.362 2.997 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCCCO ZINC000602642228 399500114 /nfs/dbraw/zinc/50/01/14/399500114.db2.gz AZYLDRZPKANXTI-UHFFFAOYSA-N 1 0 306.284 2.866 20 5 DFBDRO C[C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602639197 399499407 /nfs/dbraw/zinc/49/94/07/399499407.db2.gz WOMYKZPAANBXFR-KGLIPLIRSA-N 1 0 318.421 2.984 20 5 DFBDRO COc1cncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1C ZINC000602649500 399502465 /nfs/dbraw/zinc/50/24/65/399502465.db2.gz JZNRSAQLQCBYTE-UHFFFAOYSA-N 1 0 315.373 2.981 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C2CC2)CC1 ZINC000347365043 285016955 /nfs/dbraw/zinc/01/69/55/285016955.db2.gz SKVXMFZZOHXBAA-KAMYIIQDSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1cnc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000602669255 399512306 /nfs/dbraw/zinc/51/23/06/399512306.db2.gz HSRFKILHTUFPAM-UHFFFAOYSA-N 1 0 300.318 2.705 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000422906453 296354447 /nfs/dbraw/zinc/35/44/47/296354447.db2.gz VGPNHWUTKZJSOE-CYBMUJFWSA-N 1 0 307.394 2.767 20 5 DFBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCOC1 ZINC000602678938 399516870 /nfs/dbraw/zinc/51/68/70/399516870.db2.gz ZVPFNPMNLZCBKD-LBPRGKRZSA-N 1 0 305.334 2.735 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[C@H](C)O ZINC000602679795 399517850 /nfs/dbraw/zinc/51/78/50/399517850.db2.gz BVNBIDFLFRDHDP-KWQFWETISA-N 1 0 306.284 2.863 20 5 DFBDRO CO[C@@H]([C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602680775 399518380 /nfs/dbraw/zinc/51/83/80/399518380.db2.gz KIEAVQFOSOPWOD-VFZGTOFNSA-N 1 0 305.334 2.639 20 5 DFBDRO CC[C@@H](NCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000422948260 296359650 /nfs/dbraw/zinc/35/96/50/296359650.db2.gz ROIHLFRVMGSWQI-ZIAGYGMSSA-N 1 0 307.394 2.614 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602686906 399520262 /nfs/dbraw/zinc/52/02/62/399520262.db2.gz SDCQGFSWOJABKD-CYBMUJFWSA-N 1 0 318.377 2.651 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)cn1 ZINC000602688385 399520430 /nfs/dbraw/zinc/52/04/30/399520430.db2.gz VPCIXMGMFXNHJU-KCXAZCMYSA-N 1 0 316.405 2.737 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)O1 ZINC000602690819 399521866 /nfs/dbraw/zinc/52/18/66/399521866.db2.gz PJNSKQAETVCSFW-GMTAPVOTSA-N 1 0 305.334 2.639 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301333254 285076908 /nfs/dbraw/zinc/07/69/08/285076908.db2.gz FIXGSKGZAUPMIZ-SGMGOOAPSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2COc3ccc(F)cc3C2)cs1 ZINC000288570701 285086432 /nfs/dbraw/zinc/08/64/32/285086432.db2.gz NAYDDRRVRXRFAV-LBPRGKRZSA-N 1 0 308.334 2.889 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000270244011 208306515 /nfs/dbraw/zinc/30/65/15/208306515.db2.gz DLCDLTYMIFJTMG-MRXNPFEDSA-N 1 0 304.321 2.731 20 5 DFBDRO C[C@@H](O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602717348 399536116 /nfs/dbraw/zinc/53/61/16/399536116.db2.gz XZVSWEYKZVZETK-CXAGYDPISA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000270262113 208328392 /nfs/dbraw/zinc/32/83/92/208328392.db2.gz IHKKGCUHKGSJAU-MRXNPFEDSA-N 1 0 304.321 2.731 20 5 DFBDRO C[C@H](O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000602717350 399536526 /nfs/dbraw/zinc/53/65/26/399536526.db2.gz XZVSWEYKZVZETK-GUYCJALGSA-N 1 0 300.358 2.849 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602722056 399540488 /nfs/dbraw/zinc/54/04/88/399540488.db2.gz LLMXPWSJKPWNNY-UHFFFAOYSA-N 1 0 320.393 2.946 20 5 DFBDRO CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C[C@@H]1C ZINC000611929753 399545014 /nfs/dbraw/zinc/54/50/14/399545014.db2.gz PFKYOFOQEZGDMO-ZDUSSCGKSA-N 1 0 314.389 2.982 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000121689638 285111271 /nfs/dbraw/zinc/11/12/71/285111271.db2.gz MTGXSJGDAQMSCT-XHSDSOJGSA-N 1 0 302.374 2.685 20 5 DFBDRO COc1cc(CNc2cc[nH+]c(C)c2Cl)c([N+](=O)[O-])cc1O ZINC000616955379 399550955 /nfs/dbraw/zinc/55/09/55/399550955.db2.gz KEVITJAUQPYTRJ-UHFFFAOYSA-N 1 0 323.736 2.700 20 5 DFBDRO Cc1c(CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000423077015 296375593 /nfs/dbraw/zinc/37/55/93/296375593.db2.gz LBEJMFMOMQXFOR-YOEHRIQHSA-N 1 0 313.401 2.951 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000159000630 197318382 /nfs/dbraw/zinc/31/83/82/197318382.db2.gz JJIQXOCCBXXZHE-LSDHHAIUSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOC(=O)C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000602751539 399555877 /nfs/dbraw/zinc/55/58/77/399555877.db2.gz HDSDLPTXRARWQC-UHFFFAOYSA-N 1 0 324.352 2.945 20 5 DFBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CC[NH2+]C1 ZINC000423082948 296376457 /nfs/dbraw/zinc/37/64/57/296376457.db2.gz FWYNJBLQHRNKDP-GXSJLCMTSA-N 1 0 317.311 2.701 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000602760794 399559605 /nfs/dbraw/zinc/55/96/05/399559605.db2.gz BZVZSUIBCPRHQS-HNNXBMFYSA-N 1 0 300.362 2.719 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000602774998 399566737 /nfs/dbraw/zinc/56/67/37/399566737.db2.gz CRYLLENVFCDAEQ-CYBMUJFWSA-N 1 0 318.352 2.728 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000602776673 399568513 /nfs/dbraw/zinc/56/85/13/399568513.db2.gz AGULHWYCTWTSAF-ZDUSSCGKSA-N 1 0 304.350 2.920 20 5 DFBDRO CC(C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@H](C)[NH3+] ZINC000423169547 296387643 /nfs/dbraw/zinc/38/76/43/296387643.db2.gz WJBWKMIBRIUYKF-XJKSGUPXSA-N 1 0 321.421 2.653 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000602784125 399571292 /nfs/dbraw/zinc/57/12/92/399571292.db2.gz QAMNTXXAVAZECM-HNNXBMFYSA-N 1 0 317.393 2.665 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000370516108 285160952 /nfs/dbraw/zinc/16/09/52/285160952.db2.gz AFSVMYKXWBRMDX-MAUKXSAKSA-N 1 0 312.369 2.980 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C1CC1 ZINC000189328066 285161464 /nfs/dbraw/zinc/16/14/64/285161464.db2.gz XGFNLTURMCSZLG-UHOFOFEASA-N 1 0 304.390 2.667 20 5 DFBDRO CCc1ccc([C@@H](NCCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423181080 296388852 /nfs/dbraw/zinc/38/88/52/296388852.db2.gz FIHMWBQZYMREAC-INIZCTEOSA-N 1 0 303.362 2.778 20 5 DFBDRO Cn1cc(C[NH2+][C@@]2(C)CCCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602791325 399575790 /nfs/dbraw/zinc/57/57/90/399575790.db2.gz FARHBXHDXCYZQK-INIZCTEOSA-N 1 0 300.362 2.670 20 5 DFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000288817254 220442609 /nfs/dbraw/zinc/44/26/09/220442609.db2.gz MVFNFGZBHOZUFO-QGZVFWFLSA-N 1 0 322.405 2.978 20 5 DFBDRO COc1cccc(F)c1[C@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798336 399578874 /nfs/dbraw/zinc/57/88/74/399578874.db2.gz BPZTZYBTRFJBND-JTQLQIEISA-N 1 0 322.340 2.598 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)ccc1[N+](=O)[O-] ZINC000347785018 285173014 /nfs/dbraw/zinc/17/30/14/285173014.db2.gz MYKOSCOBJYNKLN-ZFWWWQNUSA-N 1 0 322.405 2.832 20 5 DFBDRO Cc1ccccc1[C@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C1CC1 ZINC000602807296 399583738 /nfs/dbraw/zinc/58/37/38/399583738.db2.gz XKDGAKSMZBPELS-OAHLLOKOSA-N 1 0 300.362 2.878 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000602807274 399584251 /nfs/dbraw/zinc/58/42/51/399584251.db2.gz XAPOJMPQEYFUQT-LLVKDONJSA-N 1 0 306.341 2.898 20 5 DFBDRO CCc1ccc([C@@H](N[C@@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423218581 296393781 /nfs/dbraw/zinc/39/37/81/296393781.db2.gz UXDMMCBLKKQPEB-DYVFJYSZSA-N 1 0 315.373 2.791 20 5 DFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])[nH]2)C1 ZINC000347816761 285187729 /nfs/dbraw/zinc/18/77/29/285187729.db2.gz RFNHDGGQGDBMCP-LBPRGKRZSA-N 1 0 322.409 2.553 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000602820207 399589270 /nfs/dbraw/zinc/58/92/70/399589270.db2.gz YAOXZCCAZJMPQL-CQSZACIVSA-N 1 0 316.405 2.971 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C12CCCCC2 ZINC000602824120 399590544 /nfs/dbraw/zinc/59/05/44/399590544.db2.gz WQXHCZMHXUNEJK-KGLIPLIRSA-N 1 0 322.409 2.546 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C12CCCCC2 ZINC000602824123 399590790 /nfs/dbraw/zinc/59/07/90/399590790.db2.gz WQXHCZMHXUNEJK-ZIAGYGMSSA-N 1 0 322.409 2.546 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c([N+](=O)[O-])n1 ZINC000602834813 399594933 /nfs/dbraw/zinc/59/49/33/399594933.db2.gz DHUIWQADWSSYIY-ONGXEEELSA-N 1 0 320.315 2.929 20 5 DFBDRO C[N@@H+]1CCN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C(C)(C)C ZINC000602873030 399611170 /nfs/dbraw/zinc/61/11/70/399611170.db2.gz GQYZCVRWBBZEPM-MRXNPFEDSA-N 1 0 321.421 2.636 20 5 DFBDRO CN(CCC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccns1 ZINC000602881269 399613231 /nfs/dbraw/zinc/61/32/31/399613231.db2.gz FFYQFAQYBOKNAE-UHFFFAOYSA-N 1 0 320.374 2.512 20 5 DFBDRO COc1ccc(OCCN(C)Cc2ccns2)c([N+](=O)[O-])c1 ZINC000602881330 399613677 /nfs/dbraw/zinc/61/36/77/399613677.db2.gz HGWFPTDPQXRRDD-UHFFFAOYSA-N 1 0 323.374 2.571 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000423470826 296418992 /nfs/dbraw/zinc/41/89/92/296418992.db2.gz DLPOHPIVLGPFLM-KBPBESRZSA-N 1 0 311.332 2.559 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000423514036 296424661 /nfs/dbraw/zinc/42/46/61/296424661.db2.gz CUDQETFLZYJATK-KRWDZBQOSA-N 1 0 319.405 2.640 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000423526938 296426214 /nfs/dbraw/zinc/42/62/14/296426214.db2.gz LXDRSCOODYFRKW-WCQYABFASA-N 1 0 305.378 2.528 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)c(F)c1 ZINC000602886750 399616177 /nfs/dbraw/zinc/61/61/77/399616177.db2.gz DPCYIXZYYLWJTI-ZDUSSCGKSA-N 1 0 319.340 2.553 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@H](n3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000602890166 399616968 /nfs/dbraw/zinc/61/69/68/399616968.db2.gz WZIVWPRMLWVPOO-HNNXBMFYSA-N 1 0 315.377 2.722 20 5 DFBDRO Cc1c(C[N@H+]2CCC=C(c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000602890005 399617100 /nfs/dbraw/zinc/61/71/00/399617100.db2.gz YDUWGVGNRTZURX-UHFFFAOYSA-N 1 0 312.373 2.926 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CCOCC1 ZINC000120734689 195226253 /nfs/dbraw/zinc/22/62/53/195226253.db2.gz PRIBWJCNRDDZBU-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000271563308 209016440 /nfs/dbraw/zinc/01/64/40/209016440.db2.gz UOXMHFKTBUFKKD-NWDGAFQWSA-N 1 0 306.284 2.949 20 5 DFBDRO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000289484234 221008112 /nfs/dbraw/zinc/00/81/12/221008112.db2.gz QXBDELYOARQMND-HNNXBMFYSA-N 1 0 315.373 2.991 20 5 DFBDRO Cc1nccnc1CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294852354 224265363 /nfs/dbraw/zinc/26/53/63/224265363.db2.gz BKVDZIHCSYKKET-ZDUSSCGKSA-N 1 0 314.389 2.847 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332527785 533220491 /nfs/dbraw/zinc/22/04/91/533220491.db2.gz TUNZFSDBGSWHNH-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOc1cc(C[N@H+]2CCC[C@H](OCC)C2)ccc1[N+](=O)[O-] ZINC000617201116 399628299 /nfs/dbraw/zinc/62/82/99/399628299.db2.gz NSOALDBOSNWSEZ-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000289699203 221162871 /nfs/dbraw/zinc/16/28/71/221162871.db2.gz GZNIXCWLSSVOPT-GFCCVEGCSA-N 1 0 320.393 2.573 20 5 DFBDRO CCOc1cc(CN2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000617212557 399630151 /nfs/dbraw/zinc/63/01/51/399630151.db2.gz DYLOIZARFJZPHN-OAHLLOKOSA-N 1 0 321.421 2.956 20 5 DFBDRO Cc1ccc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000289703077 221165595 /nfs/dbraw/zinc/16/55/95/221165595.db2.gz ORQUSLQFULBLLG-GOEBONIOSA-N 1 0 303.406 2.962 20 5 DFBDRO COc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1F ZINC000289808231 221240639 /nfs/dbraw/zinc/24/06/39/221240639.db2.gz NHDLRCZAGFDRJT-UHFFFAOYSA-N 1 0 319.336 2.708 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)CCCC[NH3+] ZINC000423702789 296440258 /nfs/dbraw/zinc/44/02/58/296440258.db2.gz YZBGKYMDTPZHAX-GFCCVEGCSA-N 1 0 307.394 2.767 20 5 DFBDRO C[C@@](CO)(NCc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000602962797 399641338 /nfs/dbraw/zinc/64/13/38/399641338.db2.gz PBNYLBWQIXDVMU-HNNXBMFYSA-N 1 0 321.764 2.641 20 5 DFBDRO COc1ccc(OCC[NH+]2CCC(C)(F)CC2)c([N+](=O)[O-])c1 ZINC000602993392 399653114 /nfs/dbraw/zinc/65/31/14/399653114.db2.gz ZZMSZWGHEBEJTK-UHFFFAOYSA-N 1 0 312.341 2.806 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1 ZINC000602997462 399654401 /nfs/dbraw/zinc/65/44/01/399654401.db2.gz KQQFEABYXJXYJM-IKGGRYGDSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000603212760 399711698 /nfs/dbraw/zinc/71/16/98/399711698.db2.gz AKJZFVNZPAFVQL-IINYFYTJSA-N 1 0 303.366 2.842 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000603250611 399723503 /nfs/dbraw/zinc/72/35/03/399723503.db2.gz KLUBPXPAOALQBD-QWHCGFSZSA-N 1 0 315.377 2.571 20 5 DFBDRO C[NH2+]C(C)(C)c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603249993 399723660 /nfs/dbraw/zinc/72/36/60/399723660.db2.gz ISAIYIJYHBROHS-LLVKDONJSA-N 1 0 303.366 2.559 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCOC1 ZINC000348139741 285377069 /nfs/dbraw/zinc/37/70/69/285377069.db2.gz JHJKDOPOBXORKP-QWRGUYRKSA-N 1 0 305.334 2.641 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cnn(C)c1 ZINC000348184484 285404329 /nfs/dbraw/zinc/40/43/29/285404329.db2.gz GYWFEESWKFNPSC-MDWZMJQESA-N 1 0 300.362 2.564 20 5 DFBDRO CN(CCCC[NH+]1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000603413801 399769879 /nfs/dbraw/zinc/76/98/79/399769879.db2.gz MNJSSFPDAHRLKD-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](CO)CC(F)F ZINC000603430397 399775089 /nfs/dbraw/zinc/77/50/89/399775089.db2.gz HLINVVHDEKNPMA-SBKJXLNCSA-N 1 0 300.305 2.604 20 5 DFBDRO Cc1cc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-] ZINC000423967545 296469613 /nfs/dbraw/zinc/46/96/13/296469613.db2.gz STLRNXMZVAAFDH-ZBFHGGJFSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000366650167 131282477 /nfs/dbraw/zinc/28/24/77/131282477.db2.gz DTQDVQPPRDCUTN-UKRRQHHQSA-N 1 0 302.330 2.711 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000424112487 296485924 /nfs/dbraw/zinc/48/59/24/296485924.db2.gz JWFCAJHGADECSM-SMDDNHRTSA-N 1 0 305.378 2.645 20 5 DFBDRO C[NH+](C)[C@H](CNc1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC000603839147 399807763 /nfs/dbraw/zinc/80/77/63/399807763.db2.gz XLLBLIFRTOXYJW-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO COC(=O)CC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000424275864 296497739 /nfs/dbraw/zinc/49/77/39/296497739.db2.gz CQVKWPGFMIRFPX-UHFFFAOYSA-N 1 0 312.753 2.680 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348523144 285584055 /nfs/dbraw/zinc/58/40/55/285584055.db2.gz BXLRBCNPSQKUFS-WCQYABFASA-N 1 0 316.304 2.853 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424289961 296499326 /nfs/dbraw/zinc/49/93/26/296499326.db2.gz CVHBIOBMOQAQQV-HUUCEWRRSA-N 1 0 307.394 2.742 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1[N+](=O)[O-] ZINC000424317996 296501723 /nfs/dbraw/zinc/50/17/23/296501723.db2.gz OTXRXSDLXWCVOL-XFJVYGCCSA-N 1 0 316.361 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCCCC2)nc1 ZINC000368723834 296506377 /nfs/dbraw/zinc/50/63/77/296506377.db2.gz XQARDZWDYBCJRG-OAHLLOKOSA-N 1 0 304.394 2.835 20 5 DFBDRO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000613285981 399841031 /nfs/dbraw/zinc/84/10/31/399841031.db2.gz DUCLYLCILNCRAA-NSHDSACASA-N 1 0 312.341 2.601 20 5 DFBDRO CCC(CC)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000604434827 399846800 /nfs/dbraw/zinc/84/68/00/399846800.db2.gz XNWYBRPVMILHAB-INIZCTEOSA-N 1 0 322.405 2.988 20 5 DFBDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000353895583 146818119 /nfs/dbraw/zinc/81/81/19/146818119.db2.gz COLCBODUVWYQFE-BBRMVZONSA-N 1 0 312.373 2.980 20 5 DFBDRO CC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000052908851 425886156 /nfs/dbraw/zinc/88/61/56/425886156.db2.gz LKTSPDZTKDLZPL-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC(F)F ZINC000349261937 285820368 /nfs/dbraw/zinc/82/03/68/285820368.db2.gz AQYZGYMOSJSMES-YRNVUSSQSA-N 1 0 300.305 2.869 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349285769 285824812 /nfs/dbraw/zinc/82/48/12/285824812.db2.gz SMNOGHFFARXFKV-GXFFZTMASA-N 1 0 320.311 2.819 20 5 DFBDRO CCCC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000236739991 146025412 /nfs/dbraw/zinc/02/54/12/146025412.db2.gz NEAKMYHJJHXEAU-OAHLLOKOSA-N 1 0 307.394 2.551 20 5 DFBDRO [NH3+]C1(CNC(=O)CCc2cccc([N+](=O)[O-])c2)CCCCCC1 ZINC000237824083 146053530 /nfs/dbraw/zinc/05/35/30/146053530.db2.gz LEYKQOIVPYLHNS-UHFFFAOYSA-N 1 0 319.405 2.695 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000245561684 146083772 /nfs/dbraw/zinc/08/37/72/146083772.db2.gz NZECJVNEEHBFSK-YERXGYGTSA-N 1 0 301.390 2.778 20 5 DFBDRO C[C@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000246536878 146142484 /nfs/dbraw/zinc/14/24/84/146142484.db2.gz CMLOEVQPQFSGFB-STQMWFEESA-N 1 0 305.378 2.678 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000246707466 146151171 /nfs/dbraw/zinc/15/11/71/146151171.db2.gz NOZIVEBPVZQOOH-WMLDXEAASA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247369656 146167827 /nfs/dbraw/zinc/16/78/27/146167827.db2.gz RSMXOQCOUYPMIS-TZMCWYRMSA-N 1 0 318.377 2.604 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248920489 146178164 /nfs/dbraw/zinc/17/81/64/146178164.db2.gz VZTQYAFVFNLAOR-SWLSCSKDSA-N 1 0 306.362 2.534 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)s1 ZINC000249292490 146193165 /nfs/dbraw/zinc/19/31/65/146193165.db2.gz PYMZOWYOQREYMF-JQWIXIFHSA-N 1 0 308.407 2.504 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000249743563 146205934 /nfs/dbraw/zinc/20/59/34/146205934.db2.gz KOJKCZIGIMXGBH-QJPTWQEYSA-N 1 0 323.393 2.955 20 5 DFBDRO Cc1c(CN(CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000261689189 146259234 /nfs/dbraw/zinc/25/92/34/146259234.db2.gz DXXBVTYEJOVNLH-UHFFFAOYSA-N 1 0 313.401 2.907 20 5 DFBDRO Cc1cccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000261757329 146272460 /nfs/dbraw/zinc/27/24/60/146272460.db2.gz PLWFNRRKKBIZQV-HNNXBMFYSA-N 1 0 317.389 2.507 20 5 DFBDRO [NH3+]C[C@@H]1CCCC[C@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261795455 146277556 /nfs/dbraw/zinc/27/75/56/146277556.db2.gz YEIDMKZDWFIZDN-WCBMZHEXSA-N 1 0 307.379 2.529 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000261980878 146315058 /nfs/dbraw/zinc/31/50/58/146315058.db2.gz RHXFRBYDXINOKS-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)[C@H]1CCC[NH2+]C1 ZINC000261988349 146316845 /nfs/dbraw/zinc/31/68/45/146316845.db2.gz SRRWFUQTNKZZAG-RYUDHWBXSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000261991415 146317014 /nfs/dbraw/zinc/31/70/14/146317014.db2.gz TUNGAEHCVBUMGE-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000262302130 146349437 /nfs/dbraw/zinc/34/94/37/146349437.db2.gz XOZURAULFXVANE-QGZVFWFLSA-N 1 0 315.348 2.880 20 5 DFBDRO C[C@@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262552788 146370847 /nfs/dbraw/zinc/37/08/47/146370847.db2.gz SRTSBGJNHMYQCQ-GFCCVEGCSA-N 1 0 318.299 2.810 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000354379813 147016263 /nfs/dbraw/zinc/01/62/63/147016263.db2.gz COPMKGNMFGCAOC-NEPJUHHUSA-N 1 0 323.368 2.679 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1CN(CCc1ccc(F)cc1)C1CC1 ZINC000355332457 147269171 /nfs/dbraw/zinc/26/91/71/147269171.db2.gz OGGYOHBFSMMQGL-UHFFFAOYSA-N 1 0 318.352 2.675 20 5 DFBDRO CCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000355339666 147272586 /nfs/dbraw/zinc/27/25/86/147272586.db2.gz UUJCHRIIODTLDX-ZIAGYGMSSA-N 1 0 324.425 2.744 20 5 DFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000355652931 147398374 /nfs/dbraw/zinc/39/83/74/147398374.db2.gz DPNWBUNGGOQXNX-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO CC(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000438490699 297095222 /nfs/dbraw/zinc/09/52/22/297095222.db2.gz LLZQJUUGFQNGSS-CYBMUJFWSA-N 1 0 305.378 2.901 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000350093017 286003493 /nfs/dbraw/zinc/00/34/93/286003493.db2.gz VKQRVTUPOKHIEQ-HUUCEWRRSA-N 1 0 324.425 2.707 20 5 DFBDRO CSC1(CNc2nc(C)ccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357546509 148032689 /nfs/dbraw/zinc/03/26/89/148032689.db2.gz JVFZWVROVTVICK-UHFFFAOYSA-N 1 0 310.423 2.538 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000603404432 543472337 /nfs/dbraw/zinc/47/23/37/543472337.db2.gz ZDMNVHLBFDRNQN-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO CC1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000357813025 148134328 /nfs/dbraw/zinc/13/43/28/148134328.db2.gz SHKAOELCCLCTJP-OAHLLOKOSA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(OCCO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000358031811 148219238 /nfs/dbraw/zinc/21/92/38/148219238.db2.gz ZDAJWWFPSSONMP-ZDUSSCGKSA-N 1 0 316.357 2.817 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)CCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000358154317 148262306 /nfs/dbraw/zinc/26/23/06/148262306.db2.gz NTJUWFVXEGVZBL-YOEHRIQHSA-N 1 0 321.421 2.746 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000358300243 148320253 /nfs/dbraw/zinc/32/02/53/148320253.db2.gz HXFRXKKNJZLAGD-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC=Cc3ccncc3)nc2c1 ZINC000425995327 296608404 /nfs/dbraw/zinc/60/84/04/296608404.db2.gz LAEMKEKJTBRREH-OWOJBTEDSA-N 1 0 309.329 2.669 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000360881336 148963356 /nfs/dbraw/zinc/96/33/56/148963356.db2.gz QKDIYCHMOLCPIA-ZDUSSCGKSA-N 1 0 309.414 2.652 20 5 DFBDRO Cn1cc(C[NH2+]CCCCF)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000361055997 149019551 /nfs/dbraw/zinc/01/95/51/149019551.db2.gz YJOKVZNGLMKNQU-UHFFFAOYSA-N 1 0 306.341 2.835 20 5 DFBDRO CC(C)(NCc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1nccs1 ZINC000361272845 149072238 /nfs/dbraw/zinc/07/22/38/149072238.db2.gz MHXACTYYVIDXFW-UHFFFAOYSA-N 1 0 317.374 2.953 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377109 149099365 /nfs/dbraw/zinc/09/93/65/149099365.db2.gz IIYTYCLWRKJABC-GDBMZVCRSA-N 1 0 317.389 2.684 20 5 DFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](CC(N)=O)c1ccccc1 ZINC000361467849 149122846 /nfs/dbraw/zinc/12/28/46/149122846.db2.gz DQDPQPFOHZQKQM-INIZCTEOSA-N 1 0 313.357 2.643 20 5 DFBDRO C[C@H](CO)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361502234 149132914 /nfs/dbraw/zinc/13/29/14/149132914.db2.gz VQEOFHYWJHANTF-CQSZACIVSA-N 1 0 322.405 2.847 20 5 DFBDRO CN(C(=O)c1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361777334 149216727 /nfs/dbraw/zinc/21/67/27/149216727.db2.gz SHUDYEAKTCURGH-NSHDSACASA-N 1 0 323.780 2.557 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362570443 149311880 /nfs/dbraw/zinc/31/18/80/149311880.db2.gz SAQIEZQXZZPTNN-JTQLQIEISA-N 1 0 317.374 2.752 20 5 DFBDRO Cc1cnn(C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1 ZINC000362687726 149342500 /nfs/dbraw/zinc/34/25/00/149342500.db2.gz REZFQUZFIJQYEU-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000351220311 286116660 /nfs/dbraw/zinc/11/66/60/286116660.db2.gz WJSAGTWUZNEUMU-SNVBAGLBSA-N 1 0 312.345 2.584 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nccn2C1 ZINC000371480945 150054109 /nfs/dbraw/zinc/05/41/09/150054109.db2.gz SCXISNWBTBETIX-ZFWWWQNUSA-N 1 0 314.389 2.717 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H](C2CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000372862376 150194253 /nfs/dbraw/zinc/19/42/53/150194253.db2.gz ZWKDRXTVIODPAA-CYBMUJFWSA-N 1 0 303.362 2.655 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000373112382 150232627 /nfs/dbraw/zinc/23/26/27/150232627.db2.gz KWUPFYFHKRDGLK-WMLDXEAASA-N 1 0 319.405 2.816 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373145593 150237680 /nfs/dbraw/zinc/23/76/80/150237680.db2.gz NVXZXUHLVUMIRB-CYBMUJFWSA-N 1 0 317.389 2.600 20 5 DFBDRO O=C(CC[N@@H+]1CC2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC000374293319 150338010 /nfs/dbraw/zinc/33/80/10/150338010.db2.gz IHGKMAOTYKBLRO-UHFFFAOYSA-N 1 0 303.362 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCn3ccnc32)c([N+](=O)[O-])c1 ZINC000374417596 150363577 /nfs/dbraw/zinc/36/35/77/150363577.db2.gz COXCBYOWUOVLMR-SNVBAGLBSA-N 1 0 317.305 2.689 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524425 150372798 /nfs/dbraw/zinc/37/27/98/150372798.db2.gz WCJBGGMXYSJTSW-CYBMUJFWSA-N 1 0 318.352 2.847 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000375029358 150388049 /nfs/dbraw/zinc/38/80/49/150388049.db2.gz HFIVIPHJLRFXLW-BBRMVZONSA-N 1 0 319.405 2.520 20 5 DFBDRO CCOC(=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000351928162 286247753 /nfs/dbraw/zinc/24/77/53/286247753.db2.gz GLQAWHHSINWUOZ-FNORWQNLSA-N 1 0 304.346 2.541 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1nnc(C)s1 ZINC000352446948 286376321 /nfs/dbraw/zinc/37/63/21/286376321.db2.gz IHBGAJHUGOKZSR-FLIBITNWSA-N 1 0 318.402 2.990 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@]3(CC[NH2+]C3)C2)c(Cl)c1 ZINC000352545131 286403757 /nfs/dbraw/zinc/40/37/57/286403757.db2.gz GGJRPWOXMXMEMX-HNNXBMFYSA-N 1 0 309.797 2.824 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CCCCCC1 ZINC000428588302 296706384 /nfs/dbraw/zinc/70/63/84/296706384.db2.gz ZKGYZCMRFKXVKP-UHFFFAOYSA-N 1 0 309.341 2.515 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000428651301 296709708 /nfs/dbraw/zinc/70/97/08/296709708.db2.gz RHVQHHDHTCYDJU-LLVKDONJSA-N 1 0 302.321 2.824 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]CCN2CCC2)c2ccccc2)c1 ZINC000352932328 286505978 /nfs/dbraw/zinc/50/59/78/286505978.db2.gz YHCMKAWFPFBCBW-SFHVURJKSA-N 1 0 311.385 2.980 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCC(F)(F)CC1 ZINC000353280244 286599829 /nfs/dbraw/zinc/59/98/29/286599829.db2.gz UZNAFLBLXJDGOH-JTQLQIEISA-N 1 0 302.325 2.595 20 5 DFBDRO COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182846987 158008578 /nfs/dbraw/zinc/00/85/78/158008578.db2.gz WEEVFMMIGDYVDV-BLLLJJGKSA-N 1 0 306.362 2.849 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000183372194 158017863 /nfs/dbraw/zinc/01/78/63/158017863.db2.gz CQQALSIQSHTGBV-QGZVFWFLSA-N 1 0 313.357 2.952 20 5 DFBDRO Cc1cc(C)cc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000183481938 158020047 /nfs/dbraw/zinc/02/00/47/158020047.db2.gz CTEJOJNYDDOZIW-HNNXBMFYSA-N 1 0 314.389 2.898 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000184475637 158031846 /nfs/dbraw/zinc/03/18/46/158031846.db2.gz MULJCIQCYBPFMQ-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000245812183 158080469 /nfs/dbraw/zinc/08/04/69/158080469.db2.gz ZPODDAIPWGCOSY-YQNAPEKISA-N 1 0 301.390 2.777 20 5 DFBDRO Cc1sc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000247545902 158143430 /nfs/dbraw/zinc/14/34/30/158143430.db2.gz YINCVIBFTMDCCW-GXSJLCMTSA-N 1 0 311.407 2.519 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012280 158157379 /nfs/dbraw/zinc/15/73/79/158157379.db2.gz LJQCJGAHHNUTMV-IUODEOHRSA-N 1 0 307.369 2.650 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354984395 158248772 /nfs/dbraw/zinc/24/87/72/158248772.db2.gz PHHVXSCBADRUTA-XNRPHZJLSA-N 1 0 308.378 2.748 20 5 DFBDRO CC(C)C[C@H](C)[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000355908754 158302829 /nfs/dbraw/zinc/30/28/29/158302829.db2.gz RNBLZFWWCWEOLK-AWEZNQCLSA-N 1 0 319.405 2.787 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357045020 158355763 /nfs/dbraw/zinc/35/57/63/158355763.db2.gz TXCUYQPDNNFEJC-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357047426 158357107 /nfs/dbraw/zinc/35/71/07/158357107.db2.gz WAAQIUPXTXCRBA-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]CCN1CCC1 ZINC000358342656 158370770 /nfs/dbraw/zinc/37/07/70/158370770.db2.gz FYUKLVRCLGWPJG-GDBMZVCRSA-N 1 0 303.406 2.601 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000375768472 158864365 /nfs/dbraw/zinc/86/43/65/158864365.db2.gz NRHMQXFIVXRWNX-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3Cc4ccccc43)CC2)n1 ZINC000376507343 158889082 /nfs/dbraw/zinc/88/90/82/158889082.db2.gz OMBKYJRYZVNUCH-AWEZNQCLSA-N 1 0 312.373 2.768 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000430227510 296778948 /nfs/dbraw/zinc/77/89/48/296778948.db2.gz RJMMWIAPKWJKBL-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(NC(N)=O)cc1 ZINC000237499555 287041216 /nfs/dbraw/zinc/04/12/16/287041216.db2.gz MKNNHJCEQURJBX-LLVKDONJSA-N 1 0 314.345 2.936 20 5 DFBDRO [NH3+][C@H](CNc1ccc([N+](=O)[O-])cc1Br)C1CC1 ZINC000129327473 196040315 /nfs/dbraw/zinc/04/03/15/196040315.db2.gz BOLDELFUAMNJAE-SNVBAGLBSA-N 1 0 300.156 2.507 20 5 DFBDRO C[NH+](C)CC1CCC(NC(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000129491987 196052800 /nfs/dbraw/zinc/05/28/00/196052800.db2.gz HZNBXIAROQZKOT-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO CCC(O)(CC)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000131463168 196171913 /nfs/dbraw/zinc/17/19/13/196171913.db2.gz RJZWXUFVDCYGAZ-UHFFFAOYSA-N 1 0 318.320 2.837 20 5 DFBDRO CC[C@H]([NH2+][C@@H](COC)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000433005348 296894548 /nfs/dbraw/zinc/89/45/48/296894548.db2.gz BJAPBSKYQGFZBW-JYJNAYRXSA-N 1 0 308.378 2.830 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000132211752 196235363 /nfs/dbraw/zinc/23/53/63/196235363.db2.gz JXGMSTPJJHBQTO-HUUCEWRRSA-N 1 0 300.362 2.717 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000132607864 196269941 /nfs/dbraw/zinc/26/99/41/196269941.db2.gz AQWCDMCYGVBSDI-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433283425 296904341 /nfs/dbraw/zinc/90/43/41/296904341.db2.gz OMEOHFOZXPQDBZ-NWDGAFQWSA-N 1 0 300.305 2.533 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000194804919 292584417 /nfs/dbraw/zinc/58/44/17/292584417.db2.gz LYEGHJNNLWEJTA-CHWSQXEVSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000296694173 226131814 /nfs/dbraw/zinc/13/18/14/226131814.db2.gz MCTMDZHBNRIMNX-DOTOQJQBSA-N 1 0 314.341 2.611 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296759421 226203411 /nfs/dbraw/zinc/20/34/11/226203411.db2.gz QJAPCLVAWTVYDA-OLZOCXBDSA-N 1 0 305.378 2.504 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000290902086 222006445 /nfs/dbraw/zinc/00/64/45/222006445.db2.gz HNOHCXGNBUPKNC-LLVKDONJSA-N 1 0 318.377 2.535 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1C)C[C@@H](C)OC ZINC000291348849 222331448 /nfs/dbraw/zinc/33/14/48/222331448.db2.gz XRLYWCGNCCOPFF-CYBMUJFWSA-N 1 0 323.393 2.589 20 5 DFBDRO [NH3+]C[C@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435374774 296957904 /nfs/dbraw/zinc/95/79/04/296957904.db2.gz YFIRWSCVGQSBGS-CQSZACIVSA-N 1 0 318.402 2.641 20 5 DFBDRO C[NH2+]CCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000435386239 296958901 /nfs/dbraw/zinc/95/89/01/296958901.db2.gz SYBKRMZRDLIQLB-UHFFFAOYSA-N 1 0 305.403 2.975 20 5 DFBDRO C[NH2+][C@@H]1CCN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)C1 ZINC000435394003 296959929 /nfs/dbraw/zinc/95/99/29/296959929.db2.gz JQYCFLBVRZNZEJ-GFCCVEGCSA-N 1 0 318.402 2.512 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cs1 ZINC000299656465 229307794 /nfs/dbraw/zinc/30/77/94/229307794.db2.gz UJJPQPCFJWBLKW-LBPRGKRZSA-N 1 0 324.377 2.736 20 5 DFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000302025321 230043711 /nfs/dbraw/zinc/04/37/11/230043711.db2.gz PUFZWFYRIMHPEV-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO Cc1nn(C)c(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065203 230074885 /nfs/dbraw/zinc/07/48/85/230074885.db2.gz VSJJAUAEAGJTFI-YPMHNXCESA-N 1 0 321.425 2.702 20 5 DFBDRO C[NH+](C)CC1(CNc2nc3sccn3c2[N+](=O)[O-])CCCC1 ZINC000302168762 230139131 /nfs/dbraw/zinc/13/91/31/230139131.db2.gz SRHDAIHSIDQGBW-UHFFFAOYSA-N 1 0 323.422 2.838 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000067612926 425911714 /nfs/dbraw/zinc/91/17/14/425911714.db2.gz PHRWYBAGVXSCKE-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000068443493 425917873 /nfs/dbraw/zinc/91/78/73/425917873.db2.gz MHIONRILFOLOTJ-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000124444040 425919750 /nfs/dbraw/zinc/91/97/50/425919750.db2.gz ZLMVAXYRIGZMGP-CQSZACIVSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000124494141 425921971 /nfs/dbraw/zinc/92/19/71/425921971.db2.gz LTQFFZAHOJROBY-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476521 425812241 /nfs/dbraw/zinc/81/22/41/425812241.db2.gz FPUVFLYGZCSOJR-RISCZKNCSA-N 1 0 305.378 2.704 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027355418 425816180 /nfs/dbraw/zinc/81/61/80/425816180.db2.gz ANPMQWULWXHPNJ-LBPRGKRZSA-N 1 0 306.366 2.591 20 5 DFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000033083698 425841401 /nfs/dbraw/zinc/84/14/01/425841401.db2.gz XZLZJMAHHKGAFP-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)c(Br)c1 ZINC000038041358 425850307 /nfs/dbraw/zinc/85/03/07/425850307.db2.gz GABMDMWLDXZRNN-UHFFFAOYSA-N 1 0 300.156 2.521 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000044503211 425856782 /nfs/dbraw/zinc/85/67/82/425856782.db2.gz RNHISYZMPIAACI-SECBINFHSA-N 1 0 314.183 2.769 20 5 DFBDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192891496 268053206 /nfs/dbraw/zinc/05/32/06/268053206.db2.gz ZFEGAWBIAOTULJ-IUODEOHRSA-N 1 0 310.419 2.676 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000194319543 268098716 /nfs/dbraw/zinc/09/87/16/268098716.db2.gz JDFKYGVOQMPKJE-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000268103220 268183632 /nfs/dbraw/zinc/18/36/32/268183632.db2.gz CGTLOLDCNGHGRO-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000268851930 268185647 /nfs/dbraw/zinc/18/56/47/268185647.db2.gz SYZXCDZHBBPCQQ-JTQLQIEISA-N 1 0 305.309 2.988 20 5 DFBDRO COc1ccc(C[N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269699649 268190198 /nfs/dbraw/zinc/19/01/98/268190198.db2.gz LITYNNBCJVIDNP-QGZVFWFLSA-N 1 0 316.357 2.769 20 5 DFBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270961039 268240860 /nfs/dbraw/zinc/24/08/60/268240860.db2.gz HAOAJRSUAICYTO-HASJVIIQSA-N 1 0 318.295 2.899 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000272200017 268251337 /nfs/dbraw/zinc/25/13/37/268251337.db2.gz GGLZNFCIZQDDLX-WCQYABFASA-N 1 0 319.405 2.702 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000296330713 268302182 /nfs/dbraw/zinc/30/21/82/268302182.db2.gz QTDPMISXKZBZNI-DAXOMENPSA-N 1 0 320.389 2.897 20 5 DFBDRO COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CO2 ZINC000297066890 268309398 /nfs/dbraw/zinc/30/93/98/268309398.db2.gz WEQDJQAVDXIJDL-CQSZACIVSA-N 1 0 314.341 2.697 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CNC(C)(C)C[NH+]1CCCC1 ZINC000308637502 268335476 /nfs/dbraw/zinc/33/54/76/268335476.db2.gz UFDCKDHCOVVDGA-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO C[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@]1(C)C[NH3+] ZINC000319308256 268346269 /nfs/dbraw/zinc/34/62/69/268346269.db2.gz JJOMPMPBPITDII-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO COCC1(C)CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000330642852 268354229 /nfs/dbraw/zinc/35/42/29/268354229.db2.gz GLCUUDMEZXVEFK-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000049074027 425878386 /nfs/dbraw/zinc/87/83/86/425878386.db2.gz QQIHQIMJYFXWPG-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125631122 425982244 /nfs/dbraw/zinc/98/22/44/425982244.db2.gz YKIRANMWZPSIGZ-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107526772 425994777 /nfs/dbraw/zinc/99/47/77/425994777.db2.gz LQLDRMNRHYQQCG-CQSZACIVSA-N 1 0 317.389 2.685 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000126104861 426005168 /nfs/dbraw/zinc/00/51/68/426005168.db2.gz GPAUMMUFUFXLAQ-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000162669254 426071696 /nfs/dbraw/zinc/07/16/96/426071696.db2.gz SHMHMWYVNQSVIO-SWLSCSKDSA-N 1 0 320.393 2.753 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000110560676 426034009 /nfs/dbraw/zinc/03/40/09/426034009.db2.gz LGAACWOLKJSTKR-AWEZNQCLSA-N 1 0 307.394 2.532 20 5 DFBDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000162458828 426064805 /nfs/dbraw/zinc/06/48/05/426064805.db2.gz ZGUKSJGCEXGPSS-SECBINFHSA-N 1 0 317.183 2.560 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072897652 426020949 /nfs/dbraw/zinc/02/09/49/426020949.db2.gz GLLAFBICCXBBHW-OLZOCXBDSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H](C)C1 ZINC000127812662 426087373 /nfs/dbraw/zinc/08/73/73/426087373.db2.gz GFOKWCXFRSTXPX-NWDGAFQWSA-N 1 0 305.378 2.562 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000076002433 426093182 /nfs/dbraw/zinc/09/31/82/426093182.db2.gz UMNYYRLMUNILCU-MRXNPFEDSA-N 1 0 305.422 2.801 20 5 DFBDRO C[C@@H](CCc1c(F)cccc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000337988914 268593869 /nfs/dbraw/zinc/59/38/69/268593869.db2.gz PISXMZWKWFEKBN-NSHDSACASA-N 1 0 324.331 2.680 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000076481690 426113864 /nfs/dbraw/zinc/11/38/64/426113864.db2.gz JPZYEHMXUFGRMM-HIFRSBDPSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@H](CCO)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000166745360 426129075 /nfs/dbraw/zinc/12/90/75/426129075.db2.gz BUUOEOGDKLSUPP-CJNGLKHVSA-N 1 0 306.406 2.914 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000114483457 426136869 /nfs/dbraw/zinc/13/68/69/426136869.db2.gz LMWHZFDVETWZOQ-MRXNPFEDSA-N 1 0 316.361 2.924 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128878744 426136962 /nfs/dbraw/zinc/13/69/62/426136962.db2.gz JMMABCJGFMZWKK-LLVKDONJSA-N 1 0 309.341 2.794 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075538642 426077525 /nfs/dbraw/zinc/07/75/25/426077525.db2.gz NAIIPTIYPGQTMV-ZDUSSCGKSA-N 1 0 320.393 2.790 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834350 426086372 /nfs/dbraw/zinc/08/63/72/426086372.db2.gz TXWJYWMOZSNYCZ-INIZCTEOSA-N 1 0 303.406 2.903 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000078613054 426178094 /nfs/dbraw/zinc/17/80/94/426178094.db2.gz CDMLFEDKQATGSM-LBPRGKRZSA-N 1 0 321.381 2.725 20 5 DFBDRO Cc1c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000116125885 426179636 /nfs/dbraw/zinc/17/96/36/426179636.db2.gz VYRCYVSLNPZKBJ-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO CSC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000135432015 426217663 /nfs/dbraw/zinc/21/76/63/426217663.db2.gz WLNAWBYSPWDAEQ-CYBMUJFWSA-N 1 0 324.402 2.789 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@@H](C)C[NH2+]1 ZINC000086471385 426258833 /nfs/dbraw/zinc/25/88/33/426258833.db2.gz JJCUANDXEQEUKM-IUCAKERBSA-N 1 0 303.284 2.800 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119086993 426261726 /nfs/dbraw/zinc/26/17/26/426261726.db2.gz JCJXZFSBYOGSCB-UKRRQHHQSA-N 1 0 308.378 2.749 20 5 DFBDRO Cc1nc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150878535 426265552 /nfs/dbraw/zinc/26/55/52/426265552.db2.gz RGVJFIUNQGWPDL-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000171812430 426213810 /nfs/dbraw/zinc/21/38/10/426213810.db2.gz LWDZONOOYAOVPR-CQSZACIVSA-N 1 0 306.366 2.591 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCCOC1 ZINC000175216463 426289025 /nfs/dbraw/zinc/28/90/25/426289025.db2.gz VJDYFOCHTIIFMC-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)cccc1[N+](=O)[O-] ZINC000151435978 426295884 /nfs/dbraw/zinc/29/58/84/426295884.db2.gz OKMTVWPKVXDZQF-ZIAGYGMSSA-N 1 0 310.394 2.587 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(NC(N)=O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000119773294 426302260 /nfs/dbraw/zinc/30/22/60/426302260.db2.gz VIIYZMNJZHRLQU-NSHDSACASA-N 1 0 314.345 2.936 20 5 DFBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C[C@@H]1CCOC1 ZINC000089908332 426318609 /nfs/dbraw/zinc/31/86/09/426318609.db2.gz XRQDVXRYQIJCMS-LBPRGKRZSA-N 1 0 317.345 2.718 20 5 DFBDRO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000090177841 426325002 /nfs/dbraw/zinc/32/50/02/426325002.db2.gz MJQDKBWUWXURCH-AAEUAGOBSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000175824894 426330749 /nfs/dbraw/zinc/33/07/49/426330749.db2.gz LMTZSLRMCJHIPA-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153654794 426397652 /nfs/dbraw/zinc/39/76/52/426397652.db2.gz MBBXAHKKFVPURB-TZMCWYRMSA-N 1 0 320.393 2.850 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000153705231 426399856 /nfs/dbraw/zinc/39/98/56/426399856.db2.gz ZXQUNDMGYDVZRS-OLZOCXBDSA-N 1 0 306.366 2.507 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000153771328 426405453 /nfs/dbraw/zinc/40/54/53/426405453.db2.gz XOJJHWFEBRQBOT-WHOFXGATSA-N 1 0 308.378 2.948 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(Cc3ccccc3)CC2)n1 ZINC000176189479 426358695 /nfs/dbraw/zinc/35/86/95/426358695.db2.gz SKMRUFIAQYXTLK-UHFFFAOYSA-N 1 0 314.389 2.746 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000094125350 426361604 /nfs/dbraw/zinc/36/16/04/426361604.db2.gz XEQCIXBJTSHUET-CQSZACIVSA-N 1 0 319.405 2.592 20 5 DFBDRO COCCCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122682084 426388676 /nfs/dbraw/zinc/38/86/76/426388676.db2.gz DTQYNBYBDLTPTA-UHFFFAOYSA-N 1 0 322.405 2.655 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123415310 426431858 /nfs/dbraw/zinc/43/18/58/426431858.db2.gz QWOVLWLLEPVBGF-MVQLRYDASA-N 1 0 317.389 2.549 20 5 DFBDRO CC[NH+](CC)CC[C@H](CO)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000340871154 269025003 /nfs/dbraw/zinc/02/50/03/269025003.db2.gz ODNKBIDTFYDSJL-GFCCVEGCSA-N 1 0 315.801 2.753 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000341065810 269037938 /nfs/dbraw/zinc/03/79/38/269037938.db2.gz VCBIPGSDEDDIQN-OKILXGFUSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1cnn(CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000123947185 426462377 /nfs/dbraw/zinc/46/23/77/426462377.db2.gz PCUSHYQIJUQKDZ-MRXNPFEDSA-N 1 0 314.389 2.711 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc([N+](=O)[O-])ccc1OC ZINC000177350726 426470737 /nfs/dbraw/zinc/47/07/37/426470737.db2.gz ZDQGZRWLFXUSAW-ZBFHGGJFSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000124287989 426478106 /nfs/dbraw/zinc/47/81/06/426478106.db2.gz SERBEKDZUMUKSJ-GFCCVEGCSA-N 1 0 300.362 2.980 20 5 DFBDRO CCCC(=O)N[C@H]1CCCN(Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000101563570 426484591 /nfs/dbraw/zinc/48/45/91/426484591.db2.gz GSVNXACVVWPHBD-HNNXBMFYSA-N 1 0 319.405 2.784 20 5 DFBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000186378029 426516185 /nfs/dbraw/zinc/51/61/85/426516185.db2.gz PHRLUOABKWULIR-YESZJQIVSA-N 1 0 322.405 2.812 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000177760572 426516357 /nfs/dbraw/zinc/51/63/57/426516357.db2.gz VNRAAMMKLXKHFW-MRXNPFEDSA-N 1 0 319.405 2.664 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](CC(C)C)CC1 ZINC000195343702 426518771 /nfs/dbraw/zinc/51/87/71/426518771.db2.gz ZBUJKNZYOAPVQZ-UHFFFAOYSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000177788082 426520515 /nfs/dbraw/zinc/52/05/15/426520515.db2.gz VHRDAQLVZRHUOK-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000177846398 426529069 /nfs/dbraw/zinc/52/90/69/426529069.db2.gz BQNUQGVNPGUMLY-CYBMUJFWSA-N 1 0 319.405 2.852 20 5 DFBDRO O=C(CN1CCCc2occc2C1)Nc1ccccc1[N+](=O)[O-] ZINC000288779973 426529964 /nfs/dbraw/zinc/52/99/64/426529964.db2.gz KIXYTFXXKPFPKK-UHFFFAOYSA-N 1 0 315.329 2.575 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000264300706 426532950 /nfs/dbraw/zinc/53/29/50/426532950.db2.gz VNGJCOYKBMHQHD-GFCCVEGCSA-N 1 0 324.377 2.623 20 5 DFBDRO Cc1cccc(NC[C@H]2CCN(c3ccc([N+](=O)[O-])cn3)C2)[nH+]1 ZINC000195513666 426534698 /nfs/dbraw/zinc/53/46/98/426534698.db2.gz AQJVPCQCCGBMNX-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H]2C)c([N+](=O)[O-])c1 ZINC000177881988 426534873 /nfs/dbraw/zinc/53/48/73/426534873.db2.gz KMDTYDAIZOBTDC-TUAOUCFPSA-N 1 0 321.377 2.661 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000177492632 426489779 /nfs/dbraw/zinc/48/97/79/426489779.db2.gz YJDHILYWUHVTIA-MOWVAICQSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177561671 426495834 /nfs/dbraw/zinc/49/58/34/426495834.db2.gz NAJBSTUNXLLTHB-KGLIPLIRSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000186322154 426504592 /nfs/dbraw/zinc/50/45/92/426504592.db2.gz JQSNVHJSRQQXQR-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000264559469 426573231 /nfs/dbraw/zinc/57/32/31/426573231.db2.gz FEXNKAIAUSZXFP-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](C)(OC)CC1 ZINC000280482580 426582766 /nfs/dbraw/zinc/58/27/66/426582766.db2.gz LNNOUHBKRHFNAV-INIZCTEOSA-N 1 0 308.378 2.994 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H](O)C2CC2)o1 ZINC000265104681 426582891 /nfs/dbraw/zinc/58/28/91/426582891.db2.gz UOAUNKQURWCSOD-HNNXBMFYSA-N 1 0 302.330 2.715 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000222623252 426584707 /nfs/dbraw/zinc/58/47/07/426584707.db2.gz SNADPZUHTUQSRR-NWDGAFQWSA-N 1 0 306.284 2.949 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000280488064 426584887 /nfs/dbraw/zinc/58/48/87/426584887.db2.gz GXXQMEONDWBLEU-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000273086424 426588985 /nfs/dbraw/zinc/58/89/85/426588985.db2.gz RQUKOVUBZOHQPH-CHWSQXEVSA-N 1 0 308.378 2.898 20 5 DFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000226649006 426621414 /nfs/dbraw/zinc/62/14/14/426621414.db2.gz CFNWWZCXTCQCBP-ZDUSSCGKSA-N 1 0 321.377 2.694 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000273214365 426616974 /nfs/dbraw/zinc/61/69/74/426616974.db2.gz CBOUBMIBBNGDEM-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000273212707 426617387 /nfs/dbraw/zinc/61/73/87/426617387.db2.gz LULYCBUTOBVKIK-LLVKDONJSA-N 1 0 305.378 2.651 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273346171 426649111 /nfs/dbraw/zinc/64/91/11/426649111.db2.gz BPWUXTQTOXJFOY-GHMZBOCLSA-N 1 0 324.356 2.728 20 5 DFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000235158408 426657266 /nfs/dbraw/zinc/65/72/66/426657266.db2.gz DUYHFWZRDGRWGQ-NSHDSACASA-N 1 0 309.366 2.598 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000236705804 426679485 /nfs/dbraw/zinc/67/94/85/426679485.db2.gz PCLOZGAMPIQMBP-CQSZACIVSA-N 1 0 313.785 2.742 20 5 DFBDRO CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)c1cnn(C)c1 ZINC000178728227 426684063 /nfs/dbraw/zinc/68/40/63/426684063.db2.gz RKMQOUVUZONZKO-AWEZNQCLSA-N 1 0 304.350 2.578 20 5 DFBDRO CCC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000280646597 426625012 /nfs/dbraw/zinc/62/50/12/426625012.db2.gz DZJLCEBFJMQSKY-TZMCWYRMSA-N 1 0 319.405 2.964 20 5 DFBDRO CN(CC[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000227760557 426630119 /nfs/dbraw/zinc/63/01/19/426630119.db2.gz XEZVHUATOPKYTP-UHFFFAOYSA-N 1 0 315.395 2.613 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)c1ccc(C)o1 ZINC000265934538 426713083 /nfs/dbraw/zinc/71/30/83/426713083.db2.gz DWAVWPFWZUOOLK-CQSZACIVSA-N 1 0 320.345 2.718 20 5 DFBDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290092906 426691585 /nfs/dbraw/zinc/69/15/85/426691585.db2.gz WZYSJEKGDUCCLV-HZPDHXFCSA-N 1 0 319.405 2.720 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2ncc([N+](=O)[O-])cn2)C1 ZINC000273600386 426693259 /nfs/dbraw/zinc/69/32/59/426693259.db2.gz JHRCEOBWORYZBH-BETUJISGSA-N 1 0 307.398 2.555 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274433864 426767210 /nfs/dbraw/zinc/76/72/10/426767210.db2.gz GJCQKYCBOMJLDC-CQSZACIVSA-N 1 0 305.378 2.506 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000274430538 426767942 /nfs/dbraw/zinc/76/79/42/426767942.db2.gz DVMFKTRAYSFWOF-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]([NH2+]CCN(C)CC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000266749894 426773580 /nfs/dbraw/zinc/77/35/80/426773580.db2.gz CEEYUFUQBUZFCK-SNVBAGLBSA-N 1 0 305.300 2.740 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000266777511 426777617 /nfs/dbraw/zinc/77/76/17/426777617.db2.gz LQQSVDVAKSBCAV-QEJZJMRPSA-N 1 0 319.405 2.892 20 5 DFBDRO COC(=O)CN(C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000179393408 426785142 /nfs/dbraw/zinc/78/51/42/426785142.db2.gz JRLYRXOWJBGWMR-UHFFFAOYSA-N 1 0 320.370 2.928 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000245940617 426785407 /nfs/dbraw/zinc/78/54/07/426785407.db2.gz QWDUNKJEOMBGCC-NWDGAFQWSA-N 1 0 306.362 2.939 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000245987962 426788669 /nfs/dbraw/zinc/78/86/69/426788669.db2.gz HNWIMRFCJKBWME-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000274322022 426744164 /nfs/dbraw/zinc/74/41/64/426744164.db2.gz ZFAQCGYZSOVBLB-LBPRGKRZSA-N 1 0 308.382 2.673 20 5 DFBDRO CC(C)(C)[C@@H](O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000290372775 426751709 /nfs/dbraw/zinc/75/17/09/426751709.db2.gz RJDCZSWIZRUAPS-INIZCTEOSA-N 1 0 322.405 2.845 20 5 DFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)Cc2ccccc2C1 ZINC000281785107 426764255 /nfs/dbraw/zinc/76/42/55/426764255.db2.gz FAURNZOECBQXSR-UHFFFAOYSA-N 1 0 318.402 2.562 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000188934595 426804085 /nfs/dbraw/zinc/80/40/85/426804085.db2.gz FLPGTFJZBVIXJL-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H]3CCCO3)CC2)cc1 ZINC000189150578 426823915 /nfs/dbraw/zinc/82/39/15/426823915.db2.gz XJEHQWFPUDWGFJ-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000267185403 426838674 /nfs/dbraw/zinc/83/86/74/426838674.db2.gz CIUORKBXZZINBW-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000290834533 426850197 /nfs/dbraw/zinc/85/01/97/426850197.db2.gz VACCIMQQEVSMAA-DGCLKSJQSA-N 1 0 305.378 2.778 20 5 DFBDRO CC[NH+](CC)CCCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180305876 426851110 /nfs/dbraw/zinc/85/11/10/426851110.db2.gz MDRRHQAOMJHKDW-UHFFFAOYSA-N 1 0 321.421 2.982 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H](O)c1cccc(F)c1 ZINC000267249630 426855242 /nfs/dbraw/zinc/85/52/42/426855242.db2.gz ZGCPJMYPXSHPFU-MEDUHNTESA-N 1 0 304.321 2.946 20 5 DFBDRO CCC1(C)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000337691130 426923404 /nfs/dbraw/zinc/92/34/04/426923404.db2.gz ONWGPSOBMWQDDY-UHFFFAOYSA-N 1 0 305.378 2.706 20 5 DFBDRO COc1cccc([C@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000189680416 426923979 /nfs/dbraw/zinc/92/39/79/426923979.db2.gz UGPILFHDGPOJTO-LBPRGKRZSA-N 1 0 322.390 2.775 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246859701 426872553 /nfs/dbraw/zinc/87/25/53/426872553.db2.gz SIZNCXGRBSWQQG-BYQDXSGLSA-N 1 0 320.414 2.814 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000275596668 426878548 /nfs/dbraw/zinc/87/85/48/426878548.db2.gz KBZMNQYJDWYMFZ-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000247006613 426891706 /nfs/dbraw/zinc/89/17/06/426891706.db2.gz SXNGYRQJIXYKNX-BZUAXINKSA-N 1 0 304.390 2.931 20 5 DFBDRO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282381686 426895136 /nfs/dbraw/zinc/89/51/36/426895136.db2.gz GAOGMTKKEPRBTO-ZDUSSCGKSA-N 1 0 319.405 2.516 20 5 DFBDRO CC[C@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000189652670 426914464 /nfs/dbraw/zinc/91/44/64/426914464.db2.gz MYNXUXLNCYCUCJ-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO COc1cc(NC[C@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268206719 426949633 /nfs/dbraw/zinc/94/96/33/426949633.db2.gz HGRSLYAQZOOUNZ-CYBMUJFWSA-N 1 0 307.394 2.993 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000247541295 426950033 /nfs/dbraw/zinc/95/00/33/426950033.db2.gz YALOGASTWJCOLL-XHDPSFHLSA-N 1 0 323.368 2.536 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000283116593 426956442 /nfs/dbraw/zinc/95/64/42/426956442.db2.gz MRTHNNNYXWPWPR-NWDGAFQWSA-N 1 0 324.377 2.671 20 5 DFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000181505576 426958739 /nfs/dbraw/zinc/95/87/39/426958739.db2.gz YDHOPRZLEJAMEW-NSHDSACASA-N 1 0 315.329 2.590 20 5 DFBDRO CC[C@@H]([NH2+]CC1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181548674 426962364 /nfs/dbraw/zinc/96/23/64/426962364.db2.gz PALLBPJDHGHKPI-OAHLLOKOSA-N 1 0 308.378 2.831 20 5 DFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247923361 426965155 /nfs/dbraw/zinc/96/51/55/426965155.db2.gz BJSWUZVMICNWPF-SGIREYDYSA-N 1 0 324.446 2.618 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000248061327 426976897 /nfs/dbraw/zinc/97/68/97/426976897.db2.gz YOIQWVGMRLTYSA-DOTOQJQBSA-N 1 0 304.390 2.764 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000337822441 426986435 /nfs/dbraw/zinc/98/64/35/426986435.db2.gz RJMQMIOAZPHTRH-CQSZACIVSA-N 1 0 308.378 2.634 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248373567 426992611 /nfs/dbraw/zinc/99/26/11/426992611.db2.gz JUGNIDLZGYHCNZ-KFWWJZLASA-N 1 0 322.405 2.845 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000268158120 426929836 /nfs/dbraw/zinc/92/98/36/426929836.db2.gz OACANTCUCLXCIC-BMIGLBTASA-N 1 0 303.362 2.692 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181914802 426993398 /nfs/dbraw/zinc/99/33/98/426993398.db2.gz XKFHCYMATWMHBJ-KFWWJZLASA-N 1 0 320.389 2.599 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000181355974 426942213 /nfs/dbraw/zinc/94/22/13/426942213.db2.gz XYQNQNIHAQQOLU-ZFWWWQNUSA-N 1 0 300.362 2.916 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248469870 427003911 /nfs/dbraw/zinc/00/39/11/427003911.db2.gz UUMRRSJAMKVJHX-RBSFLKMASA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474808 427005801 /nfs/dbraw/zinc/00/58/01/427005801.db2.gz XKCUPFJRUCXHOM-LSDHHAIUSA-N 1 0 322.405 2.989 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cccc1[N+](=O)[O-] ZINC000283488237 427023775 /nfs/dbraw/zinc/02/37/75/427023775.db2.gz XRXDFCTVGMZKJQ-DOMZBBRYSA-N 1 0 317.389 2.755 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268464984 427025964 /nfs/dbraw/zinc/02/59/64/427025964.db2.gz LKBCNOMWZOOQDD-YPMHNXCESA-N 1 0 315.377 2.962 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ncccc2[N+](=O)[O-])cc1 ZINC000276301015 427031708 /nfs/dbraw/zinc/03/17/08/427031708.db2.gz LOBDNJRWLKJVPX-UHFFFAOYSA-N 1 0 300.362 2.706 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268518408 427041801 /nfs/dbraw/zinc/04/18/01/427041801.db2.gz ZIYGZOSPDCWUIU-INIZCTEOSA-N 1 0 312.373 2.701 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000276383664 427050441 /nfs/dbraw/zinc/05/04/41/427050441.db2.gz GYEADYLYUVPZDW-IUODEOHRSA-N 1 0 320.393 2.625 20 5 DFBDRO CSc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000292064166 427074908 /nfs/dbraw/zinc/07/49/08/427074908.db2.gz KLWRUICYAPYHPJ-SNVBAGLBSA-N 1 0 311.407 2.564 20 5 DFBDRO C[C@H]1[C@@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130632 427086808 /nfs/dbraw/zinc/08/68/08/427086808.db2.gz JCIFTZJCZKVDHJ-ZANVPECISA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000338002584 427087912 /nfs/dbraw/zinc/08/79/12/427087912.db2.gz RSKDSCUAAFIBOW-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H](NCCC[NH+]1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283863624 427090163 /nfs/dbraw/zinc/09/01/63/427090163.db2.gz BPJMVUWRPHLQNM-ZDUSSCGKSA-N 1 0 306.410 2.704 20 5 DFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292163718 427116066 /nfs/dbraw/zinc/11/60/66/427116066.db2.gz KZQLBMAXPLNIPY-AWEZNQCLSA-N 1 0 303.406 2.901 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000182659936 427119591 /nfs/dbraw/zinc/11/95/91/427119591.db2.gz VBLYNLVKNSFLMI-LBPRGKRZSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000284063109 427126114 /nfs/dbraw/zinc/12/61/14/427126114.db2.gz AMBFYXURQFRLHO-HEHGZKQESA-N 1 0 324.421 2.712 20 5 DFBDRO COc1cc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000292198199 427127518 /nfs/dbraw/zinc/12/75/18/427127518.db2.gz GMBFDBRTYYYCPY-ZDUSSCGKSA-N 1 0 319.405 2.914 20 5 DFBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000284115894 427135573 /nfs/dbraw/zinc/13/55/73/427135573.db2.gz NNWHXZOYAQDJRC-SECBINFHSA-N 1 0 306.391 2.835 20 5 DFBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cs1 ZINC000284115898 427136145 /nfs/dbraw/zinc/13/61/45/427136145.db2.gz NNWHXZOYAQDJRC-VIFPVBQESA-N 1 0 306.391 2.835 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277221453 427137842 /nfs/dbraw/zinc/13/78/42/427137842.db2.gz RSVNRZDXZOOQBH-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000277221455 427138769 /nfs/dbraw/zinc/13/87/69/427138769.db2.gz RSVNRZDXZOOQBH-CQSZACIVSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1cc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000182760741 427140598 /nfs/dbraw/zinc/14/05/98/427140598.db2.gz CGCWGQMGJHSWLJ-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1cc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000182764288 427140807 /nfs/dbraw/zinc/14/08/07/427140807.db2.gz ILJQFWZTPHGVBJ-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155869 427146221 /nfs/dbraw/zinc/14/62/21/427146221.db2.gz POXGMHMOFZMIMP-ZUZCIYMTSA-N 1 0 321.402 2.797 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCO[C@@H]21 ZINC000296316014 427146590 /nfs/dbraw/zinc/14/65/90/427146590.db2.gz QACKZZQGLJINQO-FZQKWOKYSA-N 1 0 312.316 2.776 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156833809 271061606 /nfs/dbraw/zinc/06/16/06/271061606.db2.gz CYKGZLKXACWHSD-MFKMUULPSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@H](C)C1 ZINC000171694162 271105850 /nfs/dbraw/zinc/10/58/50/271105850.db2.gz SLIIZRJFCUBSQQ-GFCCVEGCSA-N 1 0 323.418 2.669 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000171694238 271106219 /nfs/dbraw/zinc/10/62/19/271106219.db2.gz HCOGGWIJQBRVBB-NSHDSACASA-N 1 0 323.418 2.669 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000175040532 271144702 /nfs/dbraw/zinc/14/47/02/271144702.db2.gz SEWLYBLVTLDALS-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO CCOC(=O)[C@H](CC)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000190613290 271214659 /nfs/dbraw/zinc/21/46/59/271214659.db2.gz YNYSIYLHYAELDF-HNNXBMFYSA-N 1 0 306.362 2.901 20 5 DFBDRO [NH3+]C1(CNC(=O)/C=C/c2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000237834066 271253618 /nfs/dbraw/zinc/25/36/18/271253618.db2.gz LEODCCYEBORZQU-FNORWQNLSA-N 1 0 321.352 2.525 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000277339743 427169550 /nfs/dbraw/zinc/16/95/50/427169550.db2.gz FHFVIDRHENEMAH-WFASDCNBSA-N 1 0 308.378 2.897 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C(C)(C)C ZINC000265429682 271282422 /nfs/dbraw/zinc/28/24/22/271282422.db2.gz MFVBHBWYJZMXJZ-HNNXBMFYSA-N 1 0 310.394 2.879 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(CO)c1 ZINC000270537310 271305996 /nfs/dbraw/zinc/30/59/96/271305996.db2.gz WSUZOWXFKOSKOC-CYBMUJFWSA-N 1 0 300.358 2.980 20 5 DFBDRO COc1ccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000272441281 271317766 /nfs/dbraw/zinc/31/77/66/271317766.db2.gz BDPWUQQXXUDRJQ-HIFRSBDPSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncccc1[N+](=O)[O-] ZINC000302185965 271362801 /nfs/dbraw/zinc/36/28/01/271362801.db2.gz UTRAODIJUMOPFZ-UKRRQHHQSA-N 1 0 312.373 2.922 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc4ncccc4c3[N+](=O)[O-])C2)C1 ZINC000292331825 427177770 /nfs/dbraw/zinc/17/77/70/427177770.db2.gz PKDVBCYPMISVLG-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1F ZINC000284336301 427184655 /nfs/dbraw/zinc/18/46/55/427184655.db2.gz XDPLFSSFVQNVEQ-SMDDNHRTSA-N 1 0 323.368 2.501 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000183051292 427190985 /nfs/dbraw/zinc/19/09/85/427190985.db2.gz QOTYMAUWCUDISE-VXGBXAGGSA-N 1 0 305.378 2.508 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000292843504 427201460 /nfs/dbraw/zinc/20/14/60/427201460.db2.gz XMQIUFWQMJEIOL-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@H]([NH2+]CCOc1ncccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000269507200 427212246 /nfs/dbraw/zinc/21/22/46/427212246.db2.gz ZMRRPMNTFDSAQS-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO COC(=O)c1coc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000285378168 427213407 /nfs/dbraw/zinc/21/34/07/427213407.db2.gz RLJMNAWXLPNZJU-UHFFFAOYSA-N 1 0 318.329 2.649 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000330371695 427223372 /nfs/dbraw/zinc/22/33/72/427223372.db2.gz ATROAGGHIRHNNW-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H]1C[N@H+](CCCNc2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277687283 427285840 /nfs/dbraw/zinc/28/58/40/427285840.db2.gz QQMVANQXADREOZ-GFCCVEGCSA-N 1 0 311.357 2.647 20 5 DFBDRO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000293159912 427227492 /nfs/dbraw/zinc/22/74/92/427227492.db2.gz UUIZBEMLIOWCRQ-KGLIPLIRSA-N 1 0 317.389 2.704 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330671060 427286178 /nfs/dbraw/zinc/28/61/78/427286178.db2.gz MJYOJMIOWKQFMH-TZMCWYRMSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000183257687 427236549 /nfs/dbraw/zinc/23/65/49/427236549.db2.gz MMXKPNUJJFNBEG-GFCCVEGCSA-N 1 0 316.357 2.947 20 5 DFBDRO C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000255140527 427244387 /nfs/dbraw/zinc/24/43/87/427244387.db2.gz LFAGAWXOVXNPDK-BIRHUZIMSA-N 1 0 319.405 2.701 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255180180 427245938 /nfs/dbraw/zinc/24/59/38/427245938.db2.gz TVPQRPKPTHDIPO-JQPIKURYSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@H]1C[N@H+](CCCNc2cccc(F)c2[N+](=O)[O-])CCCO1 ZINC000277687288 427286621 /nfs/dbraw/zinc/28/66/21/427286621.db2.gz QQMVANQXADREOZ-LBPRGKRZSA-N 1 0 311.357 2.647 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330569365 427267343 /nfs/dbraw/zinc/26/73/43/427267343.db2.gz MBJYWJHFAJGNMX-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cn2ccsc2n1 ZINC000338363300 427279595 /nfs/dbraw/zinc/27/95/95/427279595.db2.gz SWBYNJFYXQVDFC-UHFFFAOYSA-N 1 0 316.386 2.979 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000293299390 427281045 /nfs/dbraw/zinc/28/10/45/427281045.db2.gz WJPWNPOTCIMGSB-MRXNPFEDSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1nnsc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293366264 427302011 /nfs/dbraw/zinc/30/20/11/427302011.db2.gz HOZPDLHTGNBJKM-JTQLQIEISA-N 1 0 306.391 2.866 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255916764 427303399 /nfs/dbraw/zinc/30/33/99/427303399.db2.gz LAFNLQFWWHSIEG-KHPPLWFESA-N 1 0 319.405 2.846 20 5 DFBDRO CC[C@@H](C)[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000297030075 427310266 /nfs/dbraw/zinc/31/02/66/427310266.db2.gz SAQDRYPCGFNWSF-MYSGNRETSA-N 1 0 317.389 2.551 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC000191302615 427313994 /nfs/dbraw/zinc/31/39/94/427313994.db2.gz QIVBBCOTHGTFEI-AWEZNQCLSA-N 1 0 321.377 2.710 20 5 DFBDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000338427737 427316679 /nfs/dbraw/zinc/31/66/79/427316679.db2.gz XNPIOPYXEYGIDP-UHFFFAOYSA-N 1 0 314.773 2.710 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000285750873 427326578 /nfs/dbraw/zinc/32/65/78/427326578.db2.gz YSLVFOLRPRKIJA-ZDUSSCGKSA-N 1 0 318.295 2.874 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338449841 427330070 /nfs/dbraw/zinc/33/00/70/427330070.db2.gz KTAYEKCGQZTWRJ-INIZCTEOSA-N 1 0 319.405 2.979 20 5 DFBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)Cc2ccccc21 ZINC000270358972 427333288 /nfs/dbraw/zinc/33/32/88/427333288.db2.gz JQONZHWVOKNECQ-UHFFFAOYSA-N 1 0 300.362 2.585 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000277833294 427335356 /nfs/dbraw/zinc/33/53/56/427335356.db2.gz ZMJZNQNOTLCRNV-CYBMUJFWSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1cc(C[NH+](C)C)cc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c1 ZINC000270387596 427343528 /nfs/dbraw/zinc/34/35/28/427343528.db2.gz QGYCGRMVHYXBKA-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183818548 427344696 /nfs/dbraw/zinc/34/46/96/427344696.db2.gz MYOCEUNHMRASEW-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO C[C@@H](C(=O)OC(C)(C)C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338380607 427289934 /nfs/dbraw/zinc/28/99/34/427289934.db2.gz LMVUEVPWGXYJHI-LBPRGKRZSA-N 1 0 308.378 2.799 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000269858093 427292836 /nfs/dbraw/zinc/29/28/36/427292836.db2.gz ZFZZUUXCJADFRL-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293615406 427382622 /nfs/dbraw/zinc/38/26/22/427382622.db2.gz GVNDCNFTWSFYQY-BDJLRTHQSA-N 1 0 307.394 2.769 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccsc1 ZINC000285992046 427395649 /nfs/dbraw/zinc/39/56/49/427395649.db2.gz CSVQTFBGFXGJCT-CQSZACIVSA-N 1 0 306.391 2.953 20 5 DFBDRO CC(C)OCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000184165363 427409449 /nfs/dbraw/zinc/40/94/49/427409449.db2.gz JKBLSCTZTAJPPR-UHFFFAOYSA-N 1 0 318.377 2.510 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000277919264 427358586 /nfs/dbraw/zinc/35/85/86/427358586.db2.gz MZHPWHNFPCSTJX-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@@H]1C[NH3+] ZINC000262561916 427361396 /nfs/dbraw/zinc/36/13/96/427361396.db2.gz VPTODQKSRXKGPM-RYUDHWBXSA-N 1 0 300.362 2.564 20 5 DFBDRO CCOc1cc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331195230 427368391 /nfs/dbraw/zinc/36/83/91/427368391.db2.gz XVWUMIAZKOBVAM-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1cc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000331195229 427368475 /nfs/dbraw/zinc/36/84/75/427368475.db2.gz XVWUMIAZKOBVAM-QWHCGFSZSA-N 1 0 307.394 2.518 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583897 427368870 /nfs/dbraw/zinc/36/88/70/427368870.db2.gz FBBAYABUGFVBDK-HWPZZCPQSA-N 1 0 319.336 2.700 20 5 DFBDRO Cc1noc(C)c1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331615200 427457188 /nfs/dbraw/zinc/45/71/88/427457188.db2.gz MTIFWXXTTVAFMG-KBPBESRZSA-N 1 0 319.365 2.670 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836660 427457914 /nfs/dbraw/zinc/45/79/14/427457914.db2.gz WRXBYQGBMLZASN-QWHCGFSZSA-N 1 0 309.410 2.842 20 5 DFBDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293918154 427488792 /nfs/dbraw/zinc/48/87/92/427488792.db2.gz XERIWVYCSBYMEA-YVEFUNNKSA-N 1 0 315.373 2.735 20 5 DFBDRO CC[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+]1CCCC1 ZINC000286293645 427481969 /nfs/dbraw/zinc/48/19/69/427481969.db2.gz XYFYZQAOKJNTAN-JTQLQIEISA-N 1 0 321.406 2.886 20 5 DFBDRO CCn1cc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000286090954 427420498 /nfs/dbraw/zinc/42/04/98/427420498.db2.gz KQHWITOJNSIHSF-UHFFFAOYSA-N 1 0 302.378 2.528 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000338641352 427421889 /nfs/dbraw/zinc/42/18/89/427421889.db2.gz HTBGTFFVYQRPKJ-CHWSQXEVSA-N 1 0 323.393 2.515 20 5 DFBDRO COCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC(C)C ZINC000184245651 427424538 /nfs/dbraw/zinc/42/45/38/427424538.db2.gz CEIMFXAOMMAQOK-UHFFFAOYSA-N 1 0 314.357 2.847 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]Cc2nccs2)n1 ZINC000331534228 427433340 /nfs/dbraw/zinc/43/33/40/427433340.db2.gz FCEBLTUSHLIDPP-WDEREUQCSA-N 1 0 307.379 2.521 20 5 DFBDRO COc1cc(C[NH2+][C@@H](CCO)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184317584 427436293 /nfs/dbraw/zinc/43/62/93/427436293.db2.gz HQMQENHBMWLWKH-AWEZNQCLSA-N 1 0 314.357 2.629 20 5 DFBDRO CC(C)c1cccc2c1CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000191891408 427442417 /nfs/dbraw/zinc/44/24/17/427442417.db2.gz GYEWFWKOQCCFLI-UHFFFAOYSA-N 1 0 314.389 2.973 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000278907471 427495151 /nfs/dbraw/zinc/49/51/51/427495151.db2.gz VOISPVXIAOGZBG-VBNZEHGJSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1noc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)n1 ZINC000332069339 427501911 /nfs/dbraw/zinc/50/19/11/427501911.db2.gz BBAFNKVNOIJSGE-CYBMUJFWSA-N 1 0 302.334 2.584 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000271352452 427507679 /nfs/dbraw/zinc/50/76/79/427507679.db2.gz HSLPBMJXWQZRHH-QWHCGFSZSA-N 1 0 308.378 2.898 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000184648875 427511964 /nfs/dbraw/zinc/51/19/64/427511964.db2.gz ANPGOUZVNZEWKV-LBPRGKRZSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000271387536 427519103 /nfs/dbraw/zinc/51/91/03/427519103.db2.gz FLDQGUNTBMPIRP-AWEZNQCLSA-N 1 0 306.362 2.679 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCC2 ZINC000271383862 427519697 /nfs/dbraw/zinc/51/96/97/427519697.db2.gz UFYNPKMCCDZLAQ-GFCCVEGCSA-N 1 0 317.389 2.706 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000332141813 427523941 /nfs/dbraw/zinc/52/39/41/427523941.db2.gz MKTFCLHOAXZSKI-KCXAZCMYSA-N 1 0 317.389 2.868 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271421097 427530932 /nfs/dbraw/zinc/53/09/32/427530932.db2.gz MBWKQDIFQHGFKH-ZKKXHLJNSA-N 1 0 318.373 2.883 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506959 427536616 /nfs/dbraw/zinc/53/66/16/427536616.db2.gz ROAOTEDUWYCKKV-MNOVXSKESA-N 1 0 311.332 2.542 20 5 DFBDRO CCC[C@H](C(=O)N[C@@H](CC)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000271449050 427540237 /nfs/dbraw/zinc/54/02/37/427540237.db2.gz QWYRIWTYDOFBST-LSDHHAIUSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294073659 427540870 /nfs/dbraw/zinc/54/08/70/427540870.db2.gz HZIMZXJAFSZVLC-LBPRGKRZSA-N 1 0 319.405 2.770 20 5 DFBDRO COC1(CC[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CCC1 ZINC000338896758 427543984 /nfs/dbraw/zinc/54/39/84/427543984.db2.gz BLQOJCQYJOZQMZ-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000192478754 427546779 /nfs/dbraw/zinc/54/67/79/427546779.db2.gz WTAXLFYEYBZDPL-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCn2ccnc2)c2cc([N+](=O)[O-])ccc21 ZINC000279081447 427552015 /nfs/dbraw/zinc/55/20/15/427552015.db2.gz MOZRXGLJAQAAMJ-OAHLLOKOSA-N 1 0 300.362 2.804 20 5 DFBDRO C[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])s2)[C@@H]1c1ccccc1 ZINC000192513638 427553033 /nfs/dbraw/zinc/55/30/33/427553033.db2.gz GRLQAWZVRYABQD-YPMHNXCESA-N 1 0 304.375 2.909 20 5 DFBDRO CN(CCCC(=O)OC(C)(C)C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338999039 427616608 /nfs/dbraw/zinc/61/66/08/427616608.db2.gz ATPODNZTFIUOMP-UHFFFAOYSA-N 1 0 324.377 2.854 20 5 DFBDRO COCC[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279109942 427562518 /nfs/dbraw/zinc/56/25/18/427562518.db2.gz PCXVZARMVMTZMZ-WBVHZDCISA-N 1 0 322.405 2.694 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)c(Cl)c1 ZINC000332274642 427564764 /nfs/dbraw/zinc/56/47/64/427564764.db2.gz XERVXNGGKNSTQG-SUHUHFCYSA-N 1 0 310.781 2.841 20 5 DFBDRO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000332297131 427570112 /nfs/dbraw/zinc/57/01/12/427570112.db2.gz GNYISLUAHFIYQC-NSHDSACASA-N 1 0 309.341 2.937 20 5 DFBDRO Cc1noc(CCC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000271533403 427575971 /nfs/dbraw/zinc/57/59/71/427575971.db2.gz XFKVDQDQERBZLT-NSHDSACASA-N 1 0 304.350 2.878 20 5 DFBDRO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1=O ZINC000271612121 427579865 /nfs/dbraw/zinc/57/98/65/427579865.db2.gz KVYSBQKWQOEJGZ-JSGCOSHPSA-N 1 0 305.378 2.645 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CCCC2)CC1 ZINC000192649405 427581376 /nfs/dbraw/zinc/58/13/76/427581376.db2.gz BHTPEFNMYQFXTP-UHFFFAOYSA-N 1 0 321.425 2.939 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332326188 427582148 /nfs/dbraw/zinc/58/21/48/427582148.db2.gz OLRYFHDCESWMCP-VXGBXAGGSA-N 1 0 301.350 2.654 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000332365349 427591644 /nfs/dbraw/zinc/59/16/44/427591644.db2.gz UUDIKKLTNUIEHR-CYBMUJFWSA-N 1 0 324.356 2.682 20 5 DFBDRO C[NH+]1CCC(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000287417138 427604934 /nfs/dbraw/zinc/60/49/34/427604934.db2.gz RXFFWWGQSNPACH-UHFFFAOYSA-N 1 0 302.334 2.529 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](CO)c1ccccc1 ZINC000264009845 427631745 /nfs/dbraw/zinc/63/17/45/427631745.db2.gz ILRVSFLVNNVHRT-QGZVFWFLSA-N 1 0 316.357 2.639 20 5 DFBDRO COCCCN(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192901384 427633015 /nfs/dbraw/zinc/63/30/15/427633015.db2.gz HXQQIHBQRXRSBE-QGZVFWFLSA-N 1 0 321.421 2.530 20 5 DFBDRO [NH3+]CC1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000185346897 427639351 /nfs/dbraw/zinc/63/93/51/427639351.db2.gz WLKKWKJDOACWCC-UHFFFAOYSA-N 1 0 305.378 2.510 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342275508 271979744 /nfs/dbraw/zinc/97/97/44/271979744.db2.gz CUNXNZNZUBWWLD-CHWSQXEVSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000185422689 427651967 /nfs/dbraw/zinc/65/19/67/427651967.db2.gz VPRVQDZEERWIQA-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000185461954 427656554 /nfs/dbraw/zinc/65/65/54/427656554.db2.gz PKOQPJCJDLHVIS-AWEZNQCLSA-N 1 0 321.421 2.668 20 5 DFBDRO [NH3+]CCN(Cc1ccccc1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000342402137 272005823 /nfs/dbraw/zinc/00/58/23/272005823.db2.gz OWMJNZZEAMSEDG-UHFFFAOYSA-N 1 0 303.337 2.695 20 5 DFBDRO CCC[N@H+](CC(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342712454 272043884 /nfs/dbraw/zinc/04/38/84/272043884.db2.gz SDILHEPRYRITRE-AWEZNQCLSA-N 1 0 310.394 2.703 20 5 DFBDRO C[C@H](CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000343080015 272082887 /nfs/dbraw/zinc/08/28/87/272082887.db2.gz UEDJAYXYNUTRDU-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1c([N+](=O)[O-])c(C)nn1C)c1ccco1 ZINC000343245839 272103129 /nfs/dbraw/zinc/10/31/29/272103129.db2.gz CTOOOWKCADIYCJ-PWSUYJOCSA-N 1 0 321.381 2.771 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000343490731 272159108 /nfs/dbraw/zinc/15/91/08/272159108.db2.gz ATCZPSRHVLUDPT-WBMJQRKESA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907496 272235009 /nfs/dbraw/zinc/23/50/09/272235009.db2.gz AGSPTVXTRJWFRY-GDBMZVCRSA-N 1 0 319.405 2.532 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343910371 272235306 /nfs/dbraw/zinc/23/53/06/272235306.db2.gz KSJREMLMOYCNIB-JTQLQIEISA-N 1 0 321.406 2.886 20 5 DFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619102 427680461 /nfs/dbraw/zinc/68/04/61/427680461.db2.gz AKTZNIRZTRNZQB-WFASDCNBSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000343931932 272240121 /nfs/dbraw/zinc/24/01/21/272240121.db2.gz PYJQMKMVHKPVDT-STQMWFEESA-N 1 0 307.369 2.793 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344172979 272279615 /nfs/dbraw/zinc/27/96/15/272279615.db2.gz PIYNHUQCCCLSAV-UHOFOFEASA-N 1 0 304.390 2.931 20 5 DFBDRO CC[C@]1(C)CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000344225896 272291394 /nfs/dbraw/zinc/29/13/94/272291394.db2.gz YWMXEKPVPQBYPH-MRXNPFEDSA-N 1 0 305.378 2.680 20 5 DFBDRO CC[C@@]1(C)CC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000344242982 272295949 /nfs/dbraw/zinc/29/59/49/272295949.db2.gz PIZRBEJRTLYVSX-INIZCTEOSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344273679 272302300 /nfs/dbraw/zinc/30/23/00/272302300.db2.gz LUGMJKWQOCMZOT-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344293209 272306497 /nfs/dbraw/zinc/30/64/97/272306497.db2.gz QENAMLJGLMHAGE-JKSUJKDBSA-N 1 0 320.389 2.911 20 5 DFBDRO COCC[C@@H](Cc1ccco1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000344327114 272313461 /nfs/dbraw/zinc/31/34/61/272313461.db2.gz JEXJYXXBALFIRY-LBPRGKRZSA-N 1 0 310.375 2.987 20 5 DFBDRO C[NH+](C)CCOc1ccccc1CNc1ccc([N+](=O)[O-])nc1 ZINC000344437926 272331062 /nfs/dbraw/zinc/33/10/62/272331062.db2.gz RMTPGHPEFWGXEU-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000345028230 272395401 /nfs/dbraw/zinc/39/54/01/272395401.db2.gz KFKHLHUVHMPDTI-CQSZACIVSA-N 1 0 314.341 2.915 20 5 DFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000185677262 427689690 /nfs/dbraw/zinc/68/96/90/427689690.db2.gz KAGOUMPWENKCNS-XHDPSFHLSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000298739304 427691512 /nfs/dbraw/zinc/69/15/12/427691512.db2.gz NUWZPMJFEYDLDJ-KGLIPLIRSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(=O)NCC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272270183 427693593 /nfs/dbraw/zinc/69/35/93/427693593.db2.gz CXLONBIXEOZUAQ-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109639 427698264 /nfs/dbraw/zinc/69/82/64/427698264.db2.gz KXQCLZYCZGLHOE-PWSUYJOCSA-N 1 0 323.780 2.557 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000287853789 427703670 /nfs/dbraw/zinc/70/36/70/427703670.db2.gz SDTRKLZTLQEPBK-ZDUSSCGKSA-N 1 0 305.378 2.718 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000193863744 427720214 /nfs/dbraw/zinc/72/02/14/427720214.db2.gz KNSOGYNAPMHUQC-CQSZACIVSA-N 1 0 300.362 2.740 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000339390999 427766960 /nfs/dbraw/zinc/76/69/60/427766960.db2.gz IARUSLLLYDPTPV-JTQLQIEISA-N 1 0 306.322 2.603 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000301119757 427776928 /nfs/dbraw/zinc/77/69/28/427776928.db2.gz NELJSCPGVYTTOI-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000301284638 427786992 /nfs/dbraw/zinc/78/69/92/427786992.db2.gz LJPXOUDMNFOGAG-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287987175 427724671 /nfs/dbraw/zinc/72/46/71/427724671.db2.gz ATEOIHQQNFVJQC-DZGCQCFKSA-N 1 0 317.389 2.602 20 5 DFBDRO CCCCCNC(=O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000298889186 427724770 /nfs/dbraw/zinc/72/47/70/427724770.db2.gz LAOOZGJWYHVKMO-HNNXBMFYSA-N 1 0 307.394 2.942 20 5 DFBDRO CC1CC[NH+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000298936263 427731673 /nfs/dbraw/zinc/73/16/73/427731673.db2.gz BGYMXAQTFGRMAA-UHFFFAOYSA-N 1 0 319.405 2.837 20 5 DFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000299037965 427741757 /nfs/dbraw/zinc/74/17/57/427741757.db2.gz FLLHWQMBAXFYBA-NSHDSACASA-N 1 0 311.407 2.508 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000336726516 427750872 /nfs/dbraw/zinc/75/08/72/427750872.db2.gz ZQXFSGLUDXNJKX-HNNXBMFYSA-N 1 0 312.373 2.924 20 5 DFBDRO Cc1c(Br)c(N[C@@H](C)CCC[NH3+])ncc1[N+](=O)[O-] ZINC000336786086 427752250 /nfs/dbraw/zinc/75/22/50/427752250.db2.gz BEKYRPIBOAVOIP-ZETCQYMHSA-N 1 0 317.187 2.600 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000299133145 427754000 /nfs/dbraw/zinc/75/40/00/427754000.db2.gz ZNALZYYGQBEINU-AWEZNQCLSA-N 1 0 319.405 2.837 20 5 DFBDRO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)ccc1[N+](=O)[O-] ZINC000301376213 427792413 /nfs/dbraw/zinc/79/24/13/427792413.db2.gz VXEVKNUJUIDBIF-QRTARXTBSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1ccnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000301483140 427799204 /nfs/dbraw/zinc/79/92/04/427799204.db2.gz XONKZJUSTWUKPR-AWEZNQCLSA-N 1 0 304.394 2.975 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(OC)cc(F)c1[N+](=O)[O-] ZINC000301485863 427799634 /nfs/dbraw/zinc/79/96/34/427799634.db2.gz XBSLIZVRLQKZDK-LLVKDONJSA-N 1 0 311.357 2.663 20 5 DFBDRO CCOc1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301507536 427801214 /nfs/dbraw/zinc/80/12/14/427801214.db2.gz DEUYODVORAVIJL-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301593755 427808356 /nfs/dbraw/zinc/80/83/56/427808356.db2.gz FAAKSFAICMAKAK-GXFFZTMASA-N 1 0 308.338 2.644 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000301596934 427808423 /nfs/dbraw/zinc/80/84/23/427808423.db2.gz GLXATEUGKBCPRS-ZANVPECISA-N 1 0 317.311 3.000 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000301598269 427808448 /nfs/dbraw/zinc/80/84/48/427808448.db2.gz HGFOEHINYWNUHE-IINYFYTJSA-N 1 0 311.357 2.883 20 5 DFBDRO COc1cc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000301637829 427811521 /nfs/dbraw/zinc/81/15/21/427811521.db2.gz XNKKYAJDCDIGRO-UHFFFAOYSA-N 1 0 309.341 2.781 20 5 DFBDRO CCOc1cc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000301652912 427812781 /nfs/dbraw/zinc/81/27/81/427812781.db2.gz UAHFMSBSIUGAJJ-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)c1cccc([N+](=O)[O-])c1 ZINC000339811807 427832925 /nfs/dbraw/zinc/83/29/25/427832925.db2.gz FCEWHZQHCXDLBG-NSHDSACASA-N 1 0 310.313 2.734 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](CO)O1)c1cccc([N+](=O)[O-])c1 ZINC000340413096 427842046 /nfs/dbraw/zinc/84/20/46/427842046.db2.gz OXJAHOPXCLSXCR-XHSDSOJGSA-N 1 0 308.378 2.566 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH+]3CC=CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302025353 427847332 /nfs/dbraw/zinc/84/73/32/427847332.db2.gz PVWFLOBPGNFUIQ-AWEZNQCLSA-N 1 0 324.384 2.902 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302036278 427848626 /nfs/dbraw/zinc/84/86/26/427848626.db2.gz USQVPIABWBPOKF-CYBMUJFWSA-N 1 0 314.389 2.982 20 5 DFBDRO Cc1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000337353333 427861706 /nfs/dbraw/zinc/86/17/06/427861706.db2.gz BKXIWBBZEBMWOF-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO C[C@H]1C[NH+](CCCNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302821562 427875528 /nfs/dbraw/zinc/87/55/28/427875528.db2.gz QYKRBHNHIKBNHA-RYUDHWBXSA-N 1 0 311.357 2.645 20 5 DFBDRO COc1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000359497161 427875821 /nfs/dbraw/zinc/87/58/21/427875821.db2.gz VCFHDXMIZQCUBT-UHFFFAOYSA-N 1 0 313.357 3.489 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000337442412 427907833 /nfs/dbraw/zinc/90/78/33/427907833.db2.gz YUHMXLNBURHVMN-OAHLLOKOSA-N 1 0 306.341 2.917 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094730 427917303 /nfs/dbraw/zinc/91/73/03/427917303.db2.gz DOTGTMDRTYLLAO-HIFRSBDPSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(N2CC[NH+]([C@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000337460726 427918386 /nfs/dbraw/zinc/91/83/86/427918386.db2.gz KAAPMFGBBNCBOU-CYBMUJFWSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000345827373 427923028 /nfs/dbraw/zinc/92/30/28/427923028.db2.gz HLAFZJRWRNXHRM-NSHDSACASA-N 1 0 317.183 2.560 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000341058219 427984691 /nfs/dbraw/zinc/98/46/91/427984691.db2.gz LAJNFCAULBVMPU-QWRGUYRKSA-N 1 0 311.407 2.649 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000355872063 427928381 /nfs/dbraw/zinc/92/83/81/427928381.db2.gz IJJWWSJYSGIRLF-UHFFFAOYSA-N 1 0 307.394 2.786 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000345854328 427928852 /nfs/dbraw/zinc/92/88/52/427928852.db2.gz NBTMYCVCRNXZSY-JQWIXIFHSA-N 1 0 306.284 2.695 20 5 DFBDRO Cc1c(C[NH2+]Cc2ccc(-n3cncn3)cc2)cccc1[N+](=O)[O-] ZINC000359801355 428023662 /nfs/dbraw/zinc/02/36/62/428023662.db2.gz PRRQKRDCLRPSBM-UHFFFAOYSA-N 1 0 323.356 2.774 20 5 DFBDRO C[N@H+](CCCCNc1ncnc2sc([N+](=O)[O-])cc21)C1CC1 ZINC000413347324 428027071 /nfs/dbraw/zinc/02/70/71/428027071.db2.gz KYLHMBHVZBBQON-UHFFFAOYSA-N 1 0 321.406 2.886 20 5 DFBDRO Cc1c(C[NH2+]Cc2cnc(N(C)C)s2)cccc1[N+](=O)[O-] ZINC000359809545 428027293 /nfs/dbraw/zinc/02/72/93/428027293.db2.gz DHMSHZNYHUGQFY-UHFFFAOYSA-N 1 0 306.391 2.716 20 5 DFBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@]2(CCOC2)O1 ZINC000369707417 428041218 /nfs/dbraw/zinc/04/12/18/428041218.db2.gz SNSYUUTXRGQMLV-DOTOQJQBSA-N 1 0 320.389 2.673 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000346192580 428062310 /nfs/dbraw/zinc/06/23/10/428062310.db2.gz PJSWYBZQGMLXES-CABCVRRESA-N 1 0 321.421 2.778 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000340367777 428004024 /nfs/dbraw/zinc/00/40/24/428004024.db2.gz APHRXMFBIGWJGC-XJKSGUPXSA-N 1 0 306.362 2.806 20 5 DFBDRO COc1cccc(C[N@@H+]2CCC[C@@H](n3cc([N+](=O)[O-])cn3)C2)c1 ZINC000369975237 428101708 /nfs/dbraw/zinc/10/17/08/428101708.db2.gz RSWJLTWSTRGQOF-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000359981269 428103867 /nfs/dbraw/zinc/10/38/67/428103867.db2.gz MXGXPEKAPWWYLV-UHFFFAOYSA-N 1 0 321.425 2.563 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000370049961 428121593 /nfs/dbraw/zinc/12/15/93/428121593.db2.gz MAFREXZLHCKZNH-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@H]21 ZINC000370082695 428130519 /nfs/dbraw/zinc/13/05/19/428130519.db2.gz OTTNIDQERPUANL-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359598 428134316 /nfs/dbraw/zinc/13/43/16/428134316.db2.gz IHQXCJRSMKHCCQ-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535057 428139356 /nfs/dbraw/zinc/13/93/56/428139356.db2.gz LWYWHGRFMJJCIN-UKRRQHHQSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000360070102 428143150 /nfs/dbraw/zinc/14/31/50/428143150.db2.gz GXPHQEODECXDSB-GXTWGEPZSA-N 1 0 307.369 2.963 20 5 DFBDRO Cc1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1[N+](=O)[O-] ZINC000370261116 428169688 /nfs/dbraw/zinc/16/96/88/428169688.db2.gz LHLFHEKKSZAEMK-UHFFFAOYSA-N 1 0 300.362 2.726 20 5 DFBDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000370415834 428208122 /nfs/dbraw/zinc/20/81/22/428208122.db2.gz PCUBWJICLJXJHX-INIZCTEOSA-N 1 0 300.362 2.974 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000360228453 428213590 /nfs/dbraw/zinc/21/35/90/428213590.db2.gz BTRFTMHWCMXKCZ-BLLLJJGKSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[NH+](CC)CCSc1nc2sccn2c1[N+](=O)[O-] ZINC000360244779 428220354 /nfs/dbraw/zinc/22/03/54/428220354.db2.gz GOKFNODLVYCQIG-UHFFFAOYSA-N 1 0 300.409 2.738 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000414206279 428233337 /nfs/dbraw/zinc/23/33/37/428233337.db2.gz PSJDBMSUHNROOY-IHRRRGAJSA-N 1 0 310.398 2.537 20 5 DFBDRO Cc1ccnc(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000360278761 428233932 /nfs/dbraw/zinc/23/39/32/428233932.db2.gz LPYXMTOZHYHKDD-UHFFFAOYSA-N 1 0 306.410 3.366 20 5 DFBDRO Cc1occc1C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000414393176 428285478 /nfs/dbraw/zinc/28/54/78/428285478.db2.gz HENSLYZROADLBK-CYBMUJFWSA-N 1 0 302.334 2.578 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)Cc1cc([N+](=O)[O-])ccc1OC ZINC000352887187 428295559 /nfs/dbraw/zinc/29/55/59/428295559.db2.gz RQOPNZRLVXPUBQ-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000370579474 428243956 /nfs/dbraw/zinc/24/39/56/428243956.db2.gz KLAKJBRVXKGVFJ-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000352795602 428250486 /nfs/dbraw/zinc/25/04/86/428250486.db2.gz DSMBVSJQKVTWPQ-UKRRQHHQSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000414310204 428257101 /nfs/dbraw/zinc/25/71/01/428257101.db2.gz ZLFQKUYDWPPJGD-WQAKAFBOSA-N 1 0 300.305 2.794 20 5 DFBDRO CC1(C)CC[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)O1 ZINC000186597694 273580896 /nfs/dbraw/zinc/58/08/96/273580896.db2.gz LCOLXFQLCRXCAI-AWEZNQCLSA-N 1 0 319.405 2.674 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342113375 428305395 /nfs/dbraw/zinc/30/53/95/428305395.db2.gz GTYLQEPIKJXWAK-YOEHRIQHSA-N 1 0 318.373 2.760 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000370879740 428314451 /nfs/dbraw/zinc/31/44/51/428314451.db2.gz YCBQEKJVNCQLAQ-KGLIPLIRSA-N 1 0 311.332 2.936 20 5 DFBDRO CC[NH+](CC)CCN(CCOC)c1ccc([N+](=O)[O-])c(C)c1 ZINC000356846199 428336262 /nfs/dbraw/zinc/33/62/62/428336262.db2.gz ZCUBEPYZEJSGLB-UHFFFAOYSA-N 1 0 309.410 2.698 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000342179556 428336708 /nfs/dbraw/zinc/33/67/08/428336708.db2.gz YBCYHJCIWXXIAN-ZDUSSCGKSA-N 1 0 319.405 2.755 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414562790 428344180 /nfs/dbraw/zinc/34/41/80/428344180.db2.gz VLLBBJJRTGOHAV-INIZCTEOSA-N 1 0 306.362 2.678 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1 ZINC000371062996 428350843 /nfs/dbraw/zinc/35/08/43/428350843.db2.gz FSBMDMLJIWRVQK-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO CC[N@H+](CCNc1cc(C)c([N+](=O)[O-])cc1C(=O)OC)C1CC1 ZINC000342104242 428300779 /nfs/dbraw/zinc/30/07/79/428300779.db2.gz CGQAMYAHONWISG-UHFFFAOYSA-N 1 0 321.377 2.586 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000342340625 428407904 /nfs/dbraw/zinc/40/79/04/428407904.db2.gz POXVKCCJKBENKU-KGLIPLIRSA-N 1 0 319.405 2.955 20 5 DFBDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000353165594 428412245 /nfs/dbraw/zinc/41/22/45/428412245.db2.gz BBJRCMRIKNVWRY-LBPRGKRZSA-N 1 0 323.368 2.615 20 5 DFBDRO CSc1cccc(-c2nc(C3([NH3+])CCC3)no2)c1[N+](=O)[O-] ZINC000414624568 428357691 /nfs/dbraw/zinc/35/76/91/428357691.db2.gz HAJKQXFOLPLGHM-UHFFFAOYSA-N 1 0 306.347 2.705 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000342233394 428362918 /nfs/dbraw/zinc/36/29/18/428362918.db2.gz SLHNHFHZKPILNI-QGZVFWFLSA-N 1 0 300.358 2.635 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000342241490 428364620 /nfs/dbraw/zinc/36/46/20/428364620.db2.gz ZPUAZMTZKOQGGY-HNNXBMFYSA-N 1 0 306.387 2.696 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000414655850 428364718 /nfs/dbraw/zinc/36/47/18/428364718.db2.gz HQDQTNINIMRFFP-SMDDNHRTSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000414655852 428364972 /nfs/dbraw/zinc/36/49/72/428364972.db2.gz HQJWDUXHQXEBTK-JOCQHMNTSA-N 1 0 320.393 2.790 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414667495 428367774 /nfs/dbraw/zinc/36/77/74/428367774.db2.gz XXINYNQCJRUUQB-NWDGAFQWSA-N 1 0 306.366 2.542 20 5 DFBDRO C[C@@H]1C[C@@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682023 428372430 /nfs/dbraw/zinc/37/24/30/428372430.db2.gz XKCFXQMOXWDWIX-KGLIPLIRSA-N 1 0 303.406 2.947 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000353063338 428374485 /nfs/dbraw/zinc/37/44/85/428374485.db2.gz SRMDSXMZJSHGQW-CYBMUJFWSA-N 1 0 309.410 2.813 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342275509 428377605 /nfs/dbraw/zinc/37/76/05/428377605.db2.gz CUNXNZNZUBWWLD-OLZOCXBDSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1c(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000414717130 428385728 /nfs/dbraw/zinc/38/57/28/428385728.db2.gz XTTLTVKQUKBTHK-JOCQHMNTSA-N 1 0 320.393 2.790 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@]12CCCO2 ZINC000353210625 428434080 /nfs/dbraw/zinc/43/40/80/428434080.db2.gz ZOAIWLYKCXLYPJ-ARFHVFGLSA-N 1 0 324.352 2.550 20 5 DFBDRO CCC[NH2+]CCN[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874902 428442198 /nfs/dbraw/zinc/44/21/98/428442198.db2.gz SZPUVSKPKNZGJD-ZBFHGGJFSA-N 1 0 305.422 2.895 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000353249269 428450338 /nfs/dbraw/zinc/45/03/38/428450338.db2.gz NBWOVDKLCLJRJG-FUHWJXTLSA-N 1 0 312.369 2.851 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000347039531 428418281 /nfs/dbraw/zinc/41/82/81/428418281.db2.gz JOOXKEWNPAZYMH-ZDUSSCGKSA-N 1 0 315.373 2.896 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCC[NH2+]C2)o1 ZINC000414821292 428425657 /nfs/dbraw/zinc/42/56/57/428425657.db2.gz AWVJBFSMETYTKR-CYBMUJFWSA-N 1 0 315.373 2.944 20 5 DFBDRO Cc1cc(C(=O)N(CCC[NH3+])CC2CCCC2)ccc1[N+](=O)[O-] ZINC000357373909 428503902 /nfs/dbraw/zinc/50/39/02/428503902.db2.gz KSPPLSPBJQAFFR-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO COc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059791 428506250 /nfs/dbraw/zinc/50/62/50/428506250.db2.gz XMYVDTVCDZRANZ-GJZGRUSLSA-N 1 0 319.405 2.567 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@@H]1C ZINC000343070598 428514598 /nfs/dbraw/zinc/51/45/98/428514598.db2.gz FIQXUQIRGXNLSL-WDEREUQCSA-N 1 0 311.407 2.649 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000373155806 428521832 /nfs/dbraw/zinc/52/18/32/428521832.db2.gz AQBHZOAEVHFXPI-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347285224 428528439 /nfs/dbraw/zinc/52/84/39/428528439.db2.gz LVTDZVYPMKZMHZ-CYBMUJFWSA-N 1 0 324.356 2.682 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414965827 428475512 /nfs/dbraw/zinc/47/55/12/428475512.db2.gz WABVCPCULPDRRO-LRDDRELGSA-N 1 0 315.373 2.942 20 5 DFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000373477676 428587560 /nfs/dbraw/zinc/58/75/60/428587560.db2.gz ATMSDBFBENZLJM-IRXDYDNUSA-N 1 0 320.389 2.673 20 5 DFBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@]2(CCOC2)O1 ZINC000373477677 428588674 /nfs/dbraw/zinc/58/86/74/428588674.db2.gz ATMSDBFBENZLJM-SJORKVTESA-N 1 0 320.389 2.673 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cnn(C)c1 ZINC000347318543 428542266 /nfs/dbraw/zinc/54/22/66/428542266.db2.gz NPGIMLAFDNBAET-NTUHNPAUSA-N 1 0 300.362 2.864 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@@H+](C3CCCCCC3)C2)nc1 ZINC000373379543 428562207 /nfs/dbraw/zinc/56/22/07/428562207.db2.gz QXQZTDASMIJWLD-LBPRGKRZSA-N 1 0 305.382 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1CCC([NH3+])CC1 ZINC000415294860 428563008 /nfs/dbraw/zinc/56/30/08/428563008.db2.gz LCGGDRFPXGLYQB-UHFFFAOYSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415295564 428563598 /nfs/dbraw/zinc/56/35/98/428563598.db2.gz LSRGNXXFYKEWOA-CYBMUJFWSA-N 1 0 320.393 2.804 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415581898 428598127 /nfs/dbraw/zinc/59/81/27/428598127.db2.gz NZVAKFKJBQUCBK-LBPRGKRZSA-N 1 0 320.393 2.803 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344031965 428611443 /nfs/dbraw/zinc/61/14/43/428611443.db2.gz OBDWBSGCYRQIIF-AAEUAGOBSA-N 1 0 303.362 2.654 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000344031800 428612510 /nfs/dbraw/zinc/61/25/10/428612510.db2.gz CYRXAZCIZZHRSQ-ZBFHGGJFSA-N 1 0 320.389 2.623 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@H]21 ZINC000373709915 428637634 /nfs/dbraw/zinc/63/76/34/428637634.db2.gz BQKKUMWJLNNURS-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000373709916 428638824 /nfs/dbraw/zinc/63/88/24/428638824.db2.gz BQKKUMWJLNNURS-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000373722590 428640451 /nfs/dbraw/zinc/64/04/51/428640451.db2.gz ZYTQXCKIBVMICK-HZPDHXFCSA-N 1 0 319.405 2.662 20 5 DFBDRO CO[C@H](C)C[N@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000354467977 274074995 /nfs/dbraw/zinc/07/49/95/274074995.db2.gz VJGLJKNTZFIBBB-CYBMUJFWSA-N 1 0 323.393 2.587 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190435061 274203008 /nfs/dbraw/zinc/20/30/08/274203008.db2.gz CETNYJYNQPEEBO-RYUDHWBXSA-N 1 0 323.418 2.607 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408433628 428659255 /nfs/dbraw/zinc/65/92/55/428659255.db2.gz NBMPBDOCCCQAMD-LBPRGKRZSA-N 1 0 300.362 2.592 20 5 DFBDRO Cc1cc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434885 428660189 /nfs/dbraw/zinc/66/01/89/428660189.db2.gz JJKNMZMIWQEBAQ-QWHCGFSZSA-N 1 0 314.389 2.980 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[C@H](C)C[NH2+]1 ZINC000086471204 274362987 /nfs/dbraw/zinc/36/29/87/274362987.db2.gz BNRKMEKBUYPXFG-RKDXNWHRSA-N 1 0 303.284 2.800 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)[C@H](C)C[NH2+]1 ZINC000086471382 274364334 /nfs/dbraw/zinc/36/43/34/274364334.db2.gz JJCUANDXEQEUKM-RKDXNWHRSA-N 1 0 303.284 2.800 20 5 DFBDRO C[C@@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268235615 274364967 /nfs/dbraw/zinc/36/49/67/274364967.db2.gz MHDZUGJFMFNBFT-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1ccc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000353714121 428674656 /nfs/dbraw/zinc/67/46/56/428674656.db2.gz PUWABIHOBJQMJZ-ZBFHGGJFSA-N 1 0 303.406 2.962 20 5 DFBDRO CCC1([NH2+]Cc2ccc(OCC(=O)OC)c([N+](=O)[O-])c2)CCC1 ZINC000353764301 428702932 /nfs/dbraw/zinc/70/29/32/428702932.db2.gz YFUKLSSYZMJFIV-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO Cc1cc(C)cc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c1 ZINC000374582877 428703359 /nfs/dbraw/zinc/70/33/59/428703359.db2.gz DWTKHWWICXZVFX-CQSZACIVSA-N 1 0 314.389 2.935 20 5 DFBDRO CO[C@@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000344802999 428708831 /nfs/dbraw/zinc/70/88/31/428708831.db2.gz ZVQMQEGAYIAJHM-NSHDSACASA-N 1 0 310.247 2.791 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000344828999 428709995 /nfs/dbraw/zinc/70/99/95/428709995.db2.gz QMDAKDGMEPCDKO-GLNPCMGASA-N 1 0 301.390 2.824 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C1CC1)N(C)C ZINC000344842377 428711732 /nfs/dbraw/zinc/71/17/32/428711732.db2.gz BEUQXPNVXMULLJ-HOFZKYPUSA-N 1 0 303.406 2.928 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000374634329 428719469 /nfs/dbraw/zinc/71/94/69/428719469.db2.gz ZWFWAUBBWDONDG-JKSUJKDBSA-N 1 0 306.362 2.651 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@H](C(N)=O)C1 ZINC000344918946 428723330 /nfs/dbraw/zinc/72/33/30/428723330.db2.gz YAMFHJDIRGOBJD-USJBSMOHSA-N 1 0 317.389 2.632 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC(C)(C)C[NH+]1CCCC1 ZINC000358910616 428727406 /nfs/dbraw/zinc/72/74/06/428727406.db2.gz XAWUMSHJGVNBKZ-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000374691358 428732274 /nfs/dbraw/zinc/73/22/74/428732274.db2.gz CSDKENDHCGYLEI-HNNXBMFYSA-N 1 0 308.378 2.994 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc([N+](=O)[O-])c1 ZINC000374444213 428679551 /nfs/dbraw/zinc/67/95/51/428679551.db2.gz PVMOVODECZJGQW-DZGCQCFKSA-N 1 0 300.362 2.916 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411222561 428760764 /nfs/dbraw/zinc/76/07/64/428760764.db2.gz WLOMKYLZFKINEO-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)cn1 ZINC000374862397 428769014 /nfs/dbraw/zinc/76/90/14/428769014.db2.gz KSPCEZZYXUAWSP-CYBMUJFWSA-N 1 0 318.352 2.847 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])C1CCC1 ZINC000411289454 428772837 /nfs/dbraw/zinc/77/28/37/428772837.db2.gz HEKVLRPQOCSXDN-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000359019703 428776030 /nfs/dbraw/zinc/77/60/30/428776030.db2.gz POBPDZNJTBZPHK-GQCTYLIASA-N 1 0 316.313 2.777 20 5 DFBDRO CSC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411328129 428779035 /nfs/dbraw/zinc/77/90/35/428779035.db2.gz PACUIMWKTCWFSM-CQSZACIVSA-N 1 0 323.418 2.751 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1F ZINC000374901867 428780409 /nfs/dbraw/zinc/78/04/09/428780409.db2.gz LJOQWBPPAMSOKM-KRWDZBQOSA-N 1 0 316.332 2.658 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000375302927 428847959 /nfs/dbraw/zinc/84/79/59/428847959.db2.gz MODGIBOZIAFWGS-PZSREKOKSA-N 1 0 317.389 2.611 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@H]21 ZINC000375048406 428796959 /nfs/dbraw/zinc/79/69/59/428796959.db2.gz ICULCMNRWRVIAE-SJKOYZFVSA-N 1 0 312.373 2.673 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000353997982 428809523 /nfs/dbraw/zinc/80/95/23/428809523.db2.gz UCDQHVZYGCQIPE-GMNBZTITSA-N 1 0 302.374 2.987 20 5 DFBDRO CSc1cccc(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)c1[N+](=O)[O-] ZINC000362893715 428811401 /nfs/dbraw/zinc/81/14/01/428811401.db2.gz OBDDSUHIZNDCLG-JQWIXIFHSA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354003133 428814677 /nfs/dbraw/zinc/81/46/77/428814677.db2.gz RLGMXEKWJSRXIG-CYBMUJFWSA-N 1 0 319.405 2.926 20 5 DFBDRO C[C@@H]1CCSCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411624629 428826035 /nfs/dbraw/zinc/82/60/35/428826035.db2.gz JPQJKFFAJIWENY-GFCCVEGCSA-N 1 0 323.418 2.751 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000363098059 428855445 /nfs/dbraw/zinc/85/54/45/428855445.db2.gz ZISSDKYSPZQVOT-RYUDHWBXSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000229597697 274630654 /nfs/dbraw/zinc/63/06/54/274630654.db2.gz UCCBAEFZZJGESS-KCJUWKMLSA-N 1 0 314.183 2.910 20 5 DFBDRO CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411882503 428874342 /nfs/dbraw/zinc/87/43/42/428874342.db2.gz MOAQLJSLSTYNDR-JKSUJKDBSA-N 1 0 319.405 2.545 20 5 DFBDRO COC1(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CCCCC1 ZINC000348938563 428880706 /nfs/dbraw/zinc/88/07/06/428880706.db2.gz XZRHRTJSJMQUHI-UHFFFAOYSA-N 1 0 307.394 2.709 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2C2CCOCC2)c1 ZINC000348951392 428885692 /nfs/dbraw/zinc/88/56/92/428885692.db2.gz RPEJBWWYRYXFTF-KRWDZBQOSA-N 1 0 320.389 2.865 20 5 DFBDRO COc1cc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411975885 428899152 /nfs/dbraw/zinc/89/91/52/428899152.db2.gz VVHITWNXFVSGGU-MEDUHNTESA-N 1 0 308.378 2.897 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000354219754 428922902 /nfs/dbraw/zinc/92/29/02/428922902.db2.gz DGFHYXPPBFQXQR-CABCVRRESA-N 1 0 321.421 2.778 20 5 DFBDRO CCOc1ccc([C@H](C)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000423566294 428971608 /nfs/dbraw/zinc/97/16/08/428971608.db2.gz TZBALXFGNKUSEM-LBPRGKRZSA-N 1 0 307.394 2.786 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000289699576 274723328 /nfs/dbraw/zinc/72/33/28/274723328.db2.gz GBHYEEAQMPSCDB-WMLDXEAASA-N 1 0 303.406 2.962 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCCCC2 ZINC000375680228 428940822 /nfs/dbraw/zinc/94/08/22/428940822.db2.gz ZSBKHRNUEOUONJ-ZIAGYGMSSA-N 1 0 322.409 2.509 20 5 DFBDRO CC(C)OCC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000349213710 428940786 /nfs/dbraw/zinc/94/07/86/428940786.db2.gz DPIPVMYXLLNGOI-KRWDZBQOSA-N 1 0 324.421 2.981 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC12CCOCC2 ZINC000375712835 428950640 /nfs/dbraw/zinc/95/06/40/428950640.db2.gz VBQGZDMWUDQARH-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000354331297 428972067 /nfs/dbraw/zinc/97/20/67/428972067.db2.gz CSYXLGKDEMLWQX-WFASDCNBSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359396829 428953535 /nfs/dbraw/zinc/95/35/35/428953535.db2.gz NVUIOJAGZOBLCC-XJKSGUPXSA-N 1 0 322.405 2.731 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420274136 428956118 /nfs/dbraw/zinc/95/61/18/428956118.db2.gz MOKCDSSRQSOXRN-JSGCOSHPSA-N 1 0 312.373 3.196 20 5 DFBDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1 ZINC000349317180 428960481 /nfs/dbraw/zinc/96/04/81/428960481.db2.gz PUQUHMJOKZLCSP-UHFFFAOYSA-N 1 0 303.362 2.752 20 5 DFBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000363641679 428960500 /nfs/dbraw/zinc/96/05/00/428960500.db2.gz QKWBPLRODKFCCQ-CFVMTHIKSA-N 1 0 308.353 2.979 20 5 DFBDRO CO[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000363692816 428969616 /nfs/dbraw/zinc/96/96/16/428969616.db2.gz PYNDFVRKDVSVGE-GFCCVEGCSA-N 1 0 305.334 2.737 20 5 DFBDRO Cc1c(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423792246 429020763 /nfs/dbraw/zinc/02/07/63/429020763.db2.gz BLBGTAQXNHRTBO-CABCVRRESA-N 1 0 319.405 2.817 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451793837 428977563 /nfs/dbraw/zinc/97/75/63/428977563.db2.gz WGVGNMLQKJPTGT-AWEZNQCLSA-N 1 0 310.394 2.832 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000433060424 428988889 /nfs/dbraw/zinc/98/88/89/428988889.db2.gz YLDIZFRQZADILL-ITMHDFIRSA-N 1 0 320.389 2.503 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421865424 429042346 /nfs/dbraw/zinc/04/23/46/429042346.db2.gz CLAYPWPFOXPGSH-UHFFFAOYSA-N 1 0 307.394 2.625 20 5 DFBDRO COc1cc(CNC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000452100425 429056646 /nfs/dbraw/zinc/05/66/46/429056646.db2.gz ZWJFDMOTXWWDQA-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO CC(C)(C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423958109 429065306 /nfs/dbraw/zinc/06/53/06/429065306.db2.gz MHXCOGWAWNOILM-OAHLLOKOSA-N 1 0 319.405 2.506 20 5 DFBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423967639 429066391 /nfs/dbraw/zinc/06/63/91/429066391.db2.gz SYVWTJSKFNFFKT-GJZGRUSLSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423968838 429066770 /nfs/dbraw/zinc/06/67/70/429066770.db2.gz VGRIJLGBDDQVLD-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000376155217 429066944 /nfs/dbraw/zinc/06/69/44/429066944.db2.gz CYWMWHHYFNGRMM-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376205490 429074727 /nfs/dbraw/zinc/07/47/27/429074727.db2.gz QTDXZYWUDFYZIR-CJNGLKHVSA-N 1 0 319.405 2.804 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452184219 429080666 /nfs/dbraw/zinc/08/06/66/429080666.db2.gz RIPVGHMNNQCXJT-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423441231 429088869 /nfs/dbraw/zinc/08/88/69/429088869.db2.gz BDGDFALQXDORMJ-NWDGAFQWSA-N 1 0 305.378 2.528 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000376394604 429104198 /nfs/dbraw/zinc/10/41/98/429104198.db2.gz ATIZTGZGBOPOEF-QEJZJMRPSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000434959263 429116190 /nfs/dbraw/zinc/11/61/90/429116190.db2.gz KYEJXTKNTSRPAQ-JQWIXIFHSA-N 1 0 312.801 2.952 20 5 DFBDRO CCO[C@@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(CC)CC ZINC000434983663 429118317 /nfs/dbraw/zinc/11/83/17/429118317.db2.gz SOIRLKPCNRWHTE-UONOGXRCSA-N 1 0 324.425 2.707 20 5 DFBDRO CC[NH+](CC)CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413022513 429123473 /nfs/dbraw/zinc/12/34/73/429123473.db2.gz DPUZVMULLAIXTF-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000376508613 429125532 /nfs/dbraw/zinc/12/55/32/429125532.db2.gz WBQJXNMSJIUEEY-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)c2cccnc21 ZINC000413045102 429127731 /nfs/dbraw/zinc/12/77/31/429127731.db2.gz DZKQMWHJFYJBAJ-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3CC[NH2+]CC3)s2)cc1 ZINC000435379710 429136735 /nfs/dbraw/zinc/13/67/35/429136735.db2.gz KHKOTGXMXVLYMS-UHFFFAOYSA-N 1 0 303.387 2.729 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000435752614 429162749 /nfs/dbraw/zinc/16/27/49/429162749.db2.gz YRCGHCJPRVXICS-HVMDOBLNSA-N 1 0 322.430 2.889 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[NH+](C2CCCC2)CC1 ZINC000153566892 275033493 /nfs/dbraw/zinc/03/34/93/275033493.db2.gz KTQRRYAAIUUPLA-UHFFFAOYSA-N 1 0 310.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(F)c1 ZINC000301808241 275033679 /nfs/dbraw/zinc/03/36/79/275033679.db2.gz WWLFLKXTGHCQIB-NVBFEUDRSA-N 1 0 323.343 2.794 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000301797366 275033683 /nfs/dbraw/zinc/03/36/83/275033683.db2.gz QYCSAIZFLLDTLQ-UHFFFAOYSA-N 1 0 320.299 2.595 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1C(F)(F)F ZINC000245413980 275036672 /nfs/dbraw/zinc/03/66/72/275036672.db2.gz CMKRYRKGLYDAGW-NSHDSACASA-N 1 0 315.295 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CCC2 ZINC000193023960 275038487 /nfs/dbraw/zinc/03/84/87/275038487.db2.gz VYAIXDUUYCNPAB-CXAGYDPISA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCCC[NH+]1CCCCC1 ZINC000487923684 429173846 /nfs/dbraw/zinc/17/38/46/429173846.db2.gz YYNBXVIQQACFNN-UHFFFAOYSA-N 1 0 314.389 2.853 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)o2)c1 ZINC000364447197 429205903 /nfs/dbraw/zinc/20/59/03/429205903.db2.gz KXMFDWWZWVZISX-MRXNPFEDSA-N 1 0 314.341 2.812 20 5 DFBDRO COCCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425392136 429284681 /nfs/dbraw/zinc/28/46/81/429284681.db2.gz ALTJRNOXWJPVCI-UHFFFAOYSA-N 1 0 317.183 2.826 20 5 DFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@H]1C ZINC000489457809 429245224 /nfs/dbraw/zinc/24/52/24/429245224.db2.gz AFZKGGPIKDDUBI-XJKSGUPXSA-N 1 0 308.378 2.529 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2Cn2cccn2)cc1 ZINC000364741268 429260289 /nfs/dbraw/zinc/26/02/89/429260289.db2.gz HETTWWUIUADIJA-MRXNPFEDSA-N 1 0 300.362 2.846 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000365024708 429273392 /nfs/dbraw/zinc/27/33/92/429273392.db2.gz DBAZZWCOVJSWNC-KGLIPLIRSA-N 1 0 312.373 3.182 20 5 DFBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365097289 429274357 /nfs/dbraw/zinc/27/43/57/429274357.db2.gz YILDRYQKINFOJX-DZGCQCFKSA-N 1 0 323.780 2.592 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449110107 429335427 /nfs/dbraw/zinc/33/54/27/429335427.db2.gz AVTRVQINLRRTBC-JQRITLKVSA-N 1 0 319.405 2.563 20 5 DFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449131091 429339483 /nfs/dbraw/zinc/33/94/83/429339483.db2.gz JYUKWZKPNAVIQX-VXGBXAGGSA-N 1 0 302.378 2.919 20 5 DFBDRO CCc1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000456384803 429294119 /nfs/dbraw/zinc/29/41/19/429294119.db2.gz QJZAMBIQZGSLES-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc([N+](=O)[O-])c1 ZINC000456399428 429298236 /nfs/dbraw/zinc/29/82/36/429298236.db2.gz UUAMILLJSKNSNC-ZWNOBZJWSA-N 1 0 300.318 2.536 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1[N+](=O)[O-] ZINC000365370285 429307479 /nfs/dbraw/zinc/30/74/79/429307479.db2.gz UPBCZMYXKUNKNT-HOCLYGCPSA-N 1 0 319.405 2.816 20 5 DFBDRO COc1ncccc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449336671 429391160 /nfs/dbraw/zinc/39/11/60/429391160.db2.gz OGIOXARODQHUQV-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426454380 429391913 /nfs/dbraw/zinc/39/19/13/429391913.db2.gz OXNORQKDMNIUID-SWLSCSKDSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426454024 429392888 /nfs/dbraw/zinc/39/28/88/429392888.db2.gz LOKZKVTUDHWHSO-CHWSQXEVSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1cccc(C(=O)NCC[N@@H+]2CCCC2(C)C)c1[N+](=O)[O-] ZINC000457082231 429395092 /nfs/dbraw/zinc/39/50/92/429395092.db2.gz WJBRVWDNSMENNX-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H]([NH2+]Cc1c(C)nnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000449177164 429350880 /nfs/dbraw/zinc/35/08/80/429350880.db2.gz UZCKPZVSNMKGQZ-AWEZNQCLSA-N 1 0 303.366 2.756 20 5 DFBDRO Cc1cc(C[C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]n1 ZINC000449192877 429355270 /nfs/dbraw/zinc/35/52/70/429355270.db2.gz RRUODJYZMFWCLF-VXGBXAGGSA-N 1 0 302.378 2.778 20 5 DFBDRO CCCN1CCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449319137 429385117 /nfs/dbraw/zinc/38/51/17/429385117.db2.gz ITJCZQYBJKJAFG-ZBFHGGJFSA-N 1 0 305.422 2.990 20 5 DFBDRO COC(=O)c1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449325551 429388144 /nfs/dbraw/zinc/38/81/44/429388144.db2.gz NLTBGJKJYMCUNQ-LLVKDONJSA-N 1 0 318.329 2.695 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)cc1 ZINC000449538142 429448549 /nfs/dbraw/zinc/44/85/49/429448549.db2.gz KFSGGDQQTXSJJS-WBVHZDCISA-N 1 0 313.357 3.000 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449588450 429456490 /nfs/dbraw/zinc/45/64/90/429456490.db2.gz QJEOEDYDGVAFEL-CABCVRRESA-N 1 0 306.362 2.725 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000519598496 429469096 /nfs/dbraw/zinc/46/90/96/429469096.db2.gz AGFJCJIFWDQPHB-QWHCGFSZSA-N 1 0 317.389 2.565 20 5 DFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449483515 429430645 /nfs/dbraw/zinc/43/06/45/429430645.db2.gz JDIAQTNGPYDDSF-XQQFMLRXSA-N 1 0 305.378 2.948 20 5 DFBDRO CC[C@@](C)(C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449479131 429431916 /nfs/dbraw/zinc/43/19/16/429431916.db2.gz UKMWLOGSJZWILI-LRDDRELGSA-N 1 0 323.393 2.717 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000449498803 429435197 /nfs/dbraw/zinc/43/51/97/429435197.db2.gz LEBGWUUIZYIWGK-OAHLLOKOSA-N 1 0 300.362 2.708 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675279 429474915 /nfs/dbraw/zinc/47/49/15/429474915.db2.gz ZEJIGTAYUHHDLH-WCQYABFASA-N 1 0 318.295 2.648 20 5 DFBDRO CC(C)c1ccc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000449676374 429475516 /nfs/dbraw/zinc/47/55/16/429475516.db2.gz GRPWZRSJVNYXGD-CJNGLKHVSA-N 1 0 322.405 2.690 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000519768228 429486595 /nfs/dbraw/zinc/48/65/95/429486595.db2.gz LSUFJVPBALWZEJ-DYVFJYSZSA-N 1 0 300.358 2.849 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000519824173 429492611 /nfs/dbraw/zinc/49/26/11/429492611.db2.gz SOZNLOSGNHTAFK-HUUCEWRRSA-N 1 0 322.405 2.893 20 5 DFBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000520064261 429502084 /nfs/dbraw/zinc/50/20/84/429502084.db2.gz WQDXNEAMTUFHKP-ZDUSSCGKSA-N 1 0 305.378 2.940 20 5 DFBDRO C[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000521717672 429561635 /nfs/dbraw/zinc/56/16/35/429561635.db2.gz GOUWANQRWRNWAT-NWANDNLSSA-N 1 0 319.405 2.687 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004330 429572240 /nfs/dbraw/zinc/57/22/40/429572240.db2.gz FINXYGVHPIVNNF-JKIFEVAISA-N 1 0 303.406 2.757 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2COC[C@H]21 ZINC000367079082 429573374 /nfs/dbraw/zinc/57/33/74/429573374.db2.gz TUARDWNOJUHGNQ-SWLSCSKDSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[NH+](CC)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450213221 429580701 /nfs/dbraw/zinc/58/07/01/429580701.db2.gz VGIZNTMBCCHOPD-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450252548 429586153 /nfs/dbraw/zinc/58/61/53/429586153.db2.gz ZHSVGCGYNDKPDY-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000450253516 429586396 /nfs/dbraw/zinc/58/63/96/429586396.db2.gz OPTMEOYXSTXEEC-KBPBESRZSA-N 1 0 312.373 3.182 20 5 DFBDRO CCOc1cc(CN(C)CC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000492658629 429588204 /nfs/dbraw/zinc/58/82/04/429588204.db2.gz VKXCORWSJINMRC-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429574781 429618445 /nfs/dbraw/zinc/61/84/45/429618445.db2.gz BHCKSDFRLYADTQ-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580229 429618527 /nfs/dbraw/zinc/61/85/27/429618527.db2.gz UCHWGOIZRQQFSI-TZMCWYRMSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000429774148 429632576 /nfs/dbraw/zinc/63/25/76/429632576.db2.gz MEGYOJYIZVPMEH-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000450545741 429644484 /nfs/dbraw/zinc/64/44/84/429644484.db2.gz AQMMYJYLCKCCOP-CYBMUJFWSA-N 1 0 319.405 2.914 20 5 DFBDRO C[NH+]1CCC(CCNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450298240 429593991 /nfs/dbraw/zinc/59/39/91/429593991.db2.gz MFLDQEBKZSMGJB-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO CC[N@H+](CCNc1nccc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000450307667 429596050 /nfs/dbraw/zinc/59/60/50/429596050.db2.gz ZEZLDTBVFCPOBX-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DFBDRO CCc1ccc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000458222758 429605647 /nfs/dbraw/zinc/60/56/47/429605647.db2.gz QPMZGQAYUSAOBG-ZDUSSCGKSA-N 1 0 319.405 2.619 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2nc3cc([N+](=O)[O-])ccc3[nH]2)C[C@H]1C ZINC000450353350 429606723 /nfs/dbraw/zinc/60/67/23/429606723.db2.gz YOAKRWUWQMATKV-NEPJUHHUSA-N 1 0 317.393 2.780 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(F)(F)C1 ZINC000429476523 429611192 /nfs/dbraw/zinc/61/11/92/429611192.db2.gz YBBBBWFITBVOGF-SECBINFHSA-N 1 0 313.304 2.699 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232018 429664785 /nfs/dbraw/zinc/66/47/85/429664785.db2.gz DZIAVVDSYLAZMY-AWEZNQCLSA-N 1 0 321.421 2.767 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430228533 429665310 /nfs/dbraw/zinc/66/53/10/429665310.db2.gz VNDUQISMOPUXNR-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000525996793 429692259 /nfs/dbraw/zinc/69/22/59/429692259.db2.gz JGNOKXDAEHXULE-TXEJJXNPSA-N 1 0 300.362 2.978 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@H]1OC ZINC000274895227 276354401 /nfs/dbraw/zinc/35/44/01/276354401.db2.gz FOSXLJRALWNSPJ-JWZBEHFJSA-N 1 0 322.405 2.698 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000187676978 276376451 /nfs/dbraw/zinc/37/64/51/276376451.db2.gz YAEBVGDJKPULEA-KMUNFCNLSA-N 1 0 308.378 2.804 20 5 DFBDRO CCOc1cccc(N2CCC([NH2+]CC3CC3)CC2)c1[N+](=O)[O-] ZINC000261849739 276380783 /nfs/dbraw/zinc/38/07/83/276380783.db2.gz JIQAHXWYSXSTQH-UHFFFAOYSA-N 1 0 319.405 2.962 20 5 DFBDRO CCCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)[C@@H]1CC[NH2+]C1 ZINC000430924992 429725494 /nfs/dbraw/zinc/72/54/94/429725494.db2.gz JNSPSAKOKVUDFX-MRXNPFEDSA-N 1 0 321.421 2.956 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)c1 ZINC000451301594 429805966 /nfs/dbraw/zinc/80/59/66/429805966.db2.gz XQTOYWNFFIKDJJ-JQWIXIFHSA-N 1 0 320.315 2.892 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367946365 429748995 /nfs/dbraw/zinc/74/89/95/429748995.db2.gz XFGYQFKLWWYZJJ-STQMWFEESA-N 1 0 303.362 2.836 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000451077491 429763640 /nfs/dbraw/zinc/76/36/40/429763640.db2.gz BJSGIXSMVNEPOP-ZDUSSCGKSA-N 1 0 319.405 2.520 20 5 DFBDRO Cc1c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000451084413 429764465 /nfs/dbraw/zinc/76/44/65/429764465.db2.gz RGNCDSLZKFNHFI-ZDUSSCGKSA-N 1 0 303.406 2.819 20 5 DFBDRO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)[C@@H]1CCCC[C@H]1OC ZINC000451650952 429868603 /nfs/dbraw/zinc/86/86/03/429868603.db2.gz LNDDQGMERCTFGF-UKRRQHHQSA-N 1 0 324.425 2.888 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000368323330 429830138 /nfs/dbraw/zinc/83/01/38/429830138.db2.gz GTPBKSCFCAUDQX-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO CN(C(=O)C[NH+]1CCC(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000368333437 429832204 /nfs/dbraw/zinc/83/22/04/429832204.db2.gz SZGGHYOKYOBSLV-UHFFFAOYSA-N 1 0 317.389 2.680 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C1(C)C ZINC000451485351 429834203 /nfs/dbraw/zinc/83/42/03/429834203.db2.gz COSZJOKDPUMKBQ-STQMWFEESA-N 1 0 300.305 2.776 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC2)CC1 ZINC000368426349 429847459 /nfs/dbraw/zinc/84/74/59/429847459.db2.gz VPHQFYXJZPCTNY-LBPRGKRZSA-N 1 0 303.362 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)cc1 ZINC000451543716 429847785 /nfs/dbraw/zinc/84/77/85/429847785.db2.gz CFMONIDGMVAVGD-YPMHNXCESA-N 1 0 318.295 2.697 20 5 DFBDRO CCOCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543153 429848525 /nfs/dbraw/zinc/84/85/25/429848525.db2.gz BAIYRUVQOKQDTI-NVXWUHKLSA-N 1 0 322.405 2.562 20 5 DFBDRO CCO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451552856 429852280 /nfs/dbraw/zinc/85/22/80/429852280.db2.gz ZEOQDASIIOMTIE-HIFRSBDPSA-N 1 0 308.378 2.721 20 5 DFBDRO Cn1nccc1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553672 429853727 /nfs/dbraw/zinc/85/37/27/429853727.db2.gz YMUVQSXOWPTJMJ-OAHLLOKOSA-N 1 0 314.389 2.750 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451613494 429862394 /nfs/dbraw/zinc/86/23/94/429862394.db2.gz QVTQXBBEUFKOEK-XJKSGUPXSA-N 1 0 308.353 2.621 20 5 DFBDRO C[C@H]1[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CCC12CCOCC2 ZINC000368217902 429809238 /nfs/dbraw/zinc/80/92/38/429809238.db2.gz BIPSYJZPSJTBSG-CQSZACIVSA-N 1 0 320.389 2.865 20 5 DFBDRO CSC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCC1 ZINC000368227251 429811602 /nfs/dbraw/zinc/81/16/02/429811602.db2.gz PJWOUKHXGOTIAK-UHFFFAOYSA-N 1 0 310.423 2.714 20 5 DFBDRO Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000368660964 429884385 /nfs/dbraw/zinc/88/43/85/429884385.db2.gz WXZYTAKCUDOUDH-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368764072 429892528 /nfs/dbraw/zinc/89/25/28/429892528.db2.gz YADOOWYDNWHGIL-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000369095342 429912460 /nfs/dbraw/zinc/91/24/60/429912460.db2.gz JNRWOVILWZZHGH-ZDUSSCGKSA-N 1 0 323.418 2.747 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000558252393 429965537 /nfs/dbraw/zinc/96/55/37/429965537.db2.gz MCEWNFPAUIGHKR-UWJYBYFXSA-N 1 0 313.304 2.555 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276637034 276764936 /nfs/dbraw/zinc/76/49/36/276764936.db2.gz OYIFLVPANIDMTG-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000369470092 429950582 /nfs/dbraw/zinc/95/05/82/429950582.db2.gz VCTJPAAKWHPCPR-ZBFHGGJFSA-N 1 0 306.362 2.747 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369480948 429953255 /nfs/dbraw/zinc/95/32/55/429953255.db2.gz DVPXQULIJFAQLY-SWLSCSKDSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690210 429986706 /nfs/dbraw/zinc/98/67/06/429986706.db2.gz APMZWOTWIYHOTO-KGLIPLIRSA-N 1 0 319.405 2.546 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000574072706 430008010 /nfs/dbraw/zinc/00/80/10/430008010.db2.gz ZXYZIHIQZCSHES-ORIJERBGSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)[C@@H]2CCCC[C@H]12 ZINC000560093592 430021611 /nfs/dbraw/zinc/02/16/11/430021611.db2.gz MAUTWAZFQMCCLK-FVQBIDKESA-N 1 0 319.405 2.657 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000577851041 430117219 /nfs/dbraw/zinc/11/72/19/430117219.db2.gz XZOCUAQKLXHEPX-RYUDHWBXSA-N 1 0 300.362 3.195 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000577851040 430117865 /nfs/dbraw/zinc/11/78/65/430117865.db2.gz XZOCUAQKLXHEPX-NWDGAFQWSA-N 1 0 300.362 3.195 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC3CC[NH2+]CC3)n2)cc1 ZINC000563611483 430189829 /nfs/dbraw/zinc/18/98/29/430189829.db2.gz IQZFZGGINFULEL-UHFFFAOYSA-N 1 0 318.402 3.130 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618442 277156289 /nfs/dbraw/zinc/15/62/89/277156289.db2.gz HJTHXBLHPTZAEL-IINYFYTJSA-N 1 0 311.332 2.794 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@@H]21 ZINC000364314190 277178340 /nfs/dbraw/zinc/17/83/40/277178340.db2.gz ZHVDEEGIPSIUMS-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC000292326341 277186080 /nfs/dbraw/zinc/18/60/80/277186080.db2.gz PDQVARXBXNVWMA-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C2(O)CC2)ccc1[N+](=O)[O-] ZINC000565349309 430208532 /nfs/dbraw/zinc/20/85/32/430208532.db2.gz DWKROYOBAATSPE-MRXNPFEDSA-N 1 0 320.389 2.873 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccc1O ZINC000543252199 430242418 /nfs/dbraw/zinc/24/24/18/430242418.db2.gz BWQGDQUNJBFYDN-UHFFFAOYSA-N 1 0 316.357 2.854 20 5 DFBDRO C[C@@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060814 430271659 /nfs/dbraw/zinc/27/16/59/430271659.db2.gz AHTBUTVZHAIHED-OLZOCXBDSA-N 1 0 310.394 2.701 20 5 DFBDRO Cc1c(NC(=O)CC[NH2+]C2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000544411026 430281267 /nfs/dbraw/zinc/28/12/67/430281267.db2.gz MLCNLUBZAVCBPR-UHFFFAOYSA-N 1 0 303.362 2.764 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000542864500 430229638 /nfs/dbraw/zinc/22/96/38/430229638.db2.gz OBKNPLUQSGQMDD-UHFFFAOYSA-N 1 0 306.410 2.917 20 5 DFBDRO CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1NC)[NH+](CC)CC ZINC000582303797 430286464 /nfs/dbraw/zinc/28/64/64/430286464.db2.gz NSCLSZVQTOIBBF-CQSZACIVSA-N 1 0 308.382 2.695 20 5 DFBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCCO1 ZINC000582569312 430312789 /nfs/dbraw/zinc/31/27/89/430312789.db2.gz IMRJGRKWGWFWKW-BDJLRTHQSA-N 1 0 303.362 2.776 20 5 DFBDRO CC(C)Oc1nc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000583273478 430380711 /nfs/dbraw/zinc/38/07/11/430380711.db2.gz SAKPLBSMXBAKSP-UHFFFAOYSA-N 1 0 322.409 2.555 20 5 DFBDRO O=C(CC[NH2+]C(C1CC1)C1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000568902622 430406469 /nfs/dbraw/zinc/40/64/69/430406469.db2.gz RFHUJOIRMOHGGZ-UHFFFAOYSA-N 1 0 303.362 2.702 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000583907753 430438290 /nfs/dbraw/zinc/43/82/90/430438290.db2.gz KMBOUSVMPQXVMK-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1c(CN2CCc3ccccc3[C@@H]2C[NH3+])cccc1[N+](=O)[O-] ZINC000583935056 430442327 /nfs/dbraw/zinc/44/23/27/430442327.db2.gz MJZWENPDKKUNRL-SFHVURJKSA-N 1 0 311.385 2.961 20 5 DFBDRO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000584124106 430462641 /nfs/dbraw/zinc/46/26/41/430462641.db2.gz UBEQVMSQGLDSEA-MEBBXXQBSA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569554280 430463837 /nfs/dbraw/zinc/46/38/37/430463837.db2.gz ZXJGJWFQJZHKHF-MEBBXXQBSA-N 1 0 305.403 2.960 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000547798827 430423688 /nfs/dbraw/zinc/42/36/88/430423688.db2.gz JAHZYZLCARNKJR-OAHLLOKOSA-N 1 0 305.378 2.541 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000547798510 430424209 /nfs/dbraw/zinc/42/42/09/430424209.db2.gz TUFDWAAZEVHACX-ZDUSSCGKSA-N 1 0 305.378 2.541 20 5 DFBDRO CC(C)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCC(C)CC1 ZINC000041945486 277743552 /nfs/dbraw/zinc/74/35/52/277743552.db2.gz ATEYONDZKVETHI-CYBMUJFWSA-N 1 0 323.393 2.674 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000569891748 430494727 /nfs/dbraw/zinc/49/47/27/430494727.db2.gz CRUXEWLEFQRZCR-BHYGNILZSA-N 1 0 318.417 2.914 20 5 DFBDRO CC(C)[C@]1(C)C[C@H]1[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570155728 430518025 /nfs/dbraw/zinc/51/80/25/430518025.db2.gz SBIORLWROKRICS-ZBFHGGJFSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570291590 430532139 /nfs/dbraw/zinc/53/21/39/430532139.db2.gz IFQNOIBECHVQNF-MEBBXXQBSA-N 1 0 300.362 2.975 20 5 DFBDRO Cc1cccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000551787080 430563763 /nfs/dbraw/zinc/56/37/63/430563763.db2.gz YIZVDLISRIKULV-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000331593819 278032936 /nfs/dbraw/zinc/03/29/36/278032936.db2.gz YESQJILVRIOHPN-ZDUSSCGKSA-N 1 0 317.389 2.685 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(c2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000572464393 430687737 /nfs/dbraw/zinc/68/77/37/430687737.db2.gz WZOAMRMLVCBEKC-UHFFFAOYSA-N 1 0 318.421 2.873 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000237332941 278175001 /nfs/dbraw/zinc/17/50/01/278175001.db2.gz PUYOQMLZKLOVRK-WDEREUQCSA-N 1 0 323.418 2.516 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000267546115 278246589 /nfs/dbraw/zinc/24/65/89/278246589.db2.gz CSNACRYOKSYECW-FZMZJTMJSA-N 1 0 305.378 2.574 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358292086 278373764 /nfs/dbraw/zinc/37/37/64/278373764.db2.gz GXKUTFBEAXLRLD-UKRRQHHQSA-N 1 0 320.389 2.974 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000151323653 278785480 /nfs/dbraw/zinc/78/54/80/278785480.db2.gz FURVTBZTDOFUSI-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO C[C@H](Cn1cccn1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278691187 279387305 /nfs/dbraw/zinc/38/73/05/279387305.db2.gz KMIMMUMJOBSJCT-MLGOLLRUSA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1ccccc1[N+](=O)[O-] ZINC000361455613 279455572 /nfs/dbraw/zinc/45/55/72/279455572.db2.gz DWPOGIFKHPZWMH-NSHDSACASA-N 1 0 313.348 2.975 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295677402 280115985 /nfs/dbraw/zinc/11/59/85/280115985.db2.gz LFWCSXCYTYXCMX-XHDPSFHLSA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284013098 280153234 /nfs/dbraw/zinc/15/32/34/280153234.db2.gz HKHPVWYDRFSYDA-OAHLLOKOSA-N 1 0 323.349 2.630 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)cc1 ZINC000287638773 280364280 /nfs/dbraw/zinc/36/42/80/280364280.db2.gz KSTZCGLXPFFKPS-PWSUYJOCSA-N 1 0 304.268 2.794 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH2+]C3CCCC3)CC2)n1 ZINC000361810992 281010644 /nfs/dbraw/zinc/01/06/44/281010644.db2.gz GVXCIAWJOGLZTO-UHFFFAOYSA-N 1 0 304.394 2.799 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccccc1[N+](=O)[O-] ZINC000361375290 281187557 /nfs/dbraw/zinc/18/75/57/281187557.db2.gz CHJAXRWGKFYSBY-KBPBESRZSA-N 1 0 317.389 2.684 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000266669106 281191239 /nfs/dbraw/zinc/19/12/39/281191239.db2.gz ONNBDJRSIMFYGV-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000289768292 288574700 /nfs/dbraw/zinc/57/47/00/288574700.db2.gz LBZQUKHEOKXOOF-NSHDSACASA-N 1 0 308.382 2.619 20 5 DFBDRO COCC[C@H](COC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353648980 292694801 /nfs/dbraw/zinc/69/48/01/292694801.db2.gz MTYUHZOCOHEZRN-WBMJQRKESA-N 1 0 322.405 2.958 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000363407276 289089038 /nfs/dbraw/zinc/08/90/38/289089038.db2.gz VNXSSWZVGVSKHO-QWHCGFSZSA-N 1 0 318.377 2.652 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363414797 289092072 /nfs/dbraw/zinc/09/20/72/289092072.db2.gz RPEPYALUFCZZRG-OIISXLGYSA-N 1 0 301.390 2.511 20 5 DFBDRO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415687135 289120748 /nfs/dbraw/zinc/12/07/48/289120748.db2.gz ATSCYSDBHLCDBO-NSHDSACASA-N 1 0 320.393 2.718 20 5 DFBDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415707555 289121922 /nfs/dbraw/zinc/12/19/22/289121922.db2.gz WKVFMQVUIATMKT-JTQLQIEISA-N 1 0 308.382 2.703 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415758576 289131360 /nfs/dbraw/zinc/13/13/60/289131360.db2.gz HRFBTNLXSVDKQM-ABAIWWIYSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415762424 289131975 /nfs/dbraw/zinc/13/19/75/289131975.db2.gz NAKHSOVEZVKLIH-LBPRGKRZSA-N 1 0 320.393 2.750 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000415760043 289131982 /nfs/dbraw/zinc/13/19/82/289131982.db2.gz JORDPQFZUKLBLK-CQSZACIVSA-N 1 0 320.393 2.667 20 5 DFBDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000494242670 299862652 /nfs/dbraw/zinc/86/26/52/299862652.db2.gz URXPBLPALXLHIR-MEDUHNTESA-N 1 0 317.345 2.907 20 5 DFBDRO Cc1cc(N[C@H](C)[C@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000394629639 295481813 /nfs/dbraw/zinc/48/18/13/295481813.db2.gz UPJCCOHBRXASQK-JGVFFNPUSA-N 1 0 302.172 2.813 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)cs1 ZINC000412006532 295575891 /nfs/dbraw/zinc/57/58/91/295575891.db2.gz WJOAUEOCJJWPBE-UHFFFAOYSA-N 1 0 322.430 2.933 20 5 DFBDRO COc1ccc(OCC[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000441172015 297174128 /nfs/dbraw/zinc/17/41/28/297174128.db2.gz GYTINSBBOZJEAI-BETUJISGSA-N 1 0 308.378 2.960 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441237305 297176885 /nfs/dbraw/zinc/17/68/85/297176885.db2.gz RYZJITOSPJNVGS-GJZGRUSLSA-N 1 0 320.389 2.722 20 5 DFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000441265622 297177831 /nfs/dbraw/zinc/17/78/31/297177831.db2.gz ZOLXMGVHOXTGQI-GXTWGEPZSA-N 1 0 304.350 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441293816 297179395 /nfs/dbraw/zinc/17/93/95/297179395.db2.gz MVLNKMINPAIQFZ-HOTGVXAUSA-N 1 0 304.390 2.886 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444775366 297250642 /nfs/dbraw/zinc/25/06/42/297250642.db2.gz ICOBVNJEPWOIER-MRXNPFEDSA-N 1 0 318.377 2.598 20 5 DFBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000446838194 297287970 /nfs/dbraw/zinc/28/79/70/297287970.db2.gz FYXSHYBMYCBGNO-NHYWBVRUSA-N 1 0 318.377 2.764 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1CC ZINC000447049593 297293153 /nfs/dbraw/zinc/29/31/53/297293153.db2.gz VTMCUOOFBNPOBN-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447516099 297306306 /nfs/dbraw/zinc/30/63/06/297306306.db2.gz MZHVSPGSTWTWIC-QGZVFWFLSA-N 1 0 317.389 2.573 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccco2)n1 ZINC000447520680 297306352 /nfs/dbraw/zinc/30/63/52/297306352.db2.gz KYJPBLCRWWCGAS-KBPBESRZSA-N 1 0 304.350 2.700 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOC2CCCC2)n1 ZINC000447550473 297307784 /nfs/dbraw/zinc/30/77/84/297307784.db2.gz NHCHEUDDSDJIIA-GJZGRUSLSA-N 1 0 322.409 2.824 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H](CO)CC(F)(F)F)CCC2 ZINC000447580240 297309312 /nfs/dbraw/zinc/30/93/12/297309312.db2.gz NQNXNSWEFWLVFC-GWCFXTLKSA-N 1 0 318.295 2.875 20 5 DFBDRO CC(C)(CCCO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587881 297309462 /nfs/dbraw/zinc/30/94/62/297309462.db2.gz SGELYYKCSUCFDH-UONOGXRCSA-N 1 0 324.425 2.663 20 5 DFBDRO COCCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447584598 297309478 /nfs/dbraw/zinc/30/94/78/297309478.db2.gz GPPLDICOKXDLMO-KBPBESRZSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC(F)(F)F)n1 ZINC000447585631 297309624 /nfs/dbraw/zinc/30/96/24/297309624.db2.gz KZFPQEKTUCLCTI-ZJUUUORDSA-N 1 0 306.288 2.817 20 5 DFBDRO COCCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600295 297310270 /nfs/dbraw/zinc/31/02/70/297310270.db2.gz LSJHRHFAWWBJHH-ZIAGYGMSSA-N 1 0 324.425 2.927 20 5 DFBDRO CN1CCCC(C)(C)[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000447897191 297324625 /nfs/dbraw/zinc/32/46/25/297324625.db2.gz LNTCKHJWNQZBSC-OAHLLOKOSA-N 1 0 309.385 2.944 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CO)c1 ZINC000449126062 297409599 /nfs/dbraw/zinc/40/95/99/297409599.db2.gz KXUAJNWQGZHISY-CYBMUJFWSA-N 1 0 300.358 2.808 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000449151931 297414183 /nfs/dbraw/zinc/41/41/83/297414183.db2.gz ZCKIZEJANVLHMI-WBMJQRKESA-N 1 0 318.348 2.988 20 5 DFBDRO COc1nccnc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449175397 297418212 /nfs/dbraw/zinc/41/82/12/297418212.db2.gz QSFGXPKEOQAQHS-UHFFFAOYSA-N 1 0 316.361 2.506 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000449178779 297418354 /nfs/dbraw/zinc/41/83/54/297418354.db2.gz UPKKEVYGBLLJBX-CJNGLKHVSA-N 1 0 323.462 2.553 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449505963 297481544 /nfs/dbraw/zinc/48/15/44/297481544.db2.gz KDUHBZRGBVYIKG-PZPSRYQVSA-N 1 0 318.417 2.913 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](C2CCC2)CC1 ZINC000450332467 297613188 /nfs/dbraw/zinc/61/31/88/297613188.db2.gz UZAUGUNWYBTVIT-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)n1 ZINC000451300770 297784125 /nfs/dbraw/zinc/78/41/25/297784125.db2.gz WBKWRTIOSXIBNL-QWRGUYRKSA-N 1 0 320.315 2.892 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451481600 297813331 /nfs/dbraw/zinc/81/33/31/297813331.db2.gz AYELZYFZYPTLGA-GDBMZVCRSA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)[C@@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451491277 297815836 /nfs/dbraw/zinc/81/58/36/297815836.db2.gz BGUYFSVYWPABLG-COLVAYQJSA-N 1 0 308.378 2.753 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2C[C@H](OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451514194 297820582 /nfs/dbraw/zinc/82/05/82/297820582.db2.gz ZMTPDWRGXKNUQL-CABCVRRESA-N 1 0 308.378 2.897 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451777884 297873605 /nfs/dbraw/zinc/87/36/05/297873605.db2.gz WTDBRHCHRIAKIZ-MFKMUULPSA-N 1 0 310.325 2.555 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453136091 298066317 /nfs/dbraw/zinc/06/63/17/298066317.db2.gz HFRNQISFNBOEFJ-LSDHHAIUSA-N 1 0 306.362 2.521 20 5 DFBDRO CCC[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453244737 298074911 /nfs/dbraw/zinc/07/49/11/298074911.db2.gz HMOKPUIMXQQNIN-MGPQQGTHSA-N 1 0 310.398 2.680 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000453330582 298083588 /nfs/dbraw/zinc/08/35/88/298083588.db2.gz DSJDNOPZJGREHD-AAEUAGOBSA-N 1 0 302.378 2.919 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCC2(CO)CC2)cc1[N+](=O)[O-] ZINC000453334299 298084215 /nfs/dbraw/zinc/08/42/15/298084215.db2.gz HNKWDMOYMKZQCO-LBPRGKRZSA-N 1 0 308.378 2.807 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cccc1[N+](=O)[O-] ZINC000453429518 298094691 /nfs/dbraw/zinc/09/46/91/298094691.db2.gz IIMSTROHFDRLIF-KCQAQPDRSA-N 1 0 317.389 2.707 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454362728 298162773 /nfs/dbraw/zinc/16/27/73/298162773.db2.gz XKNMIAXKGRSIHE-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000454474991 298180361 /nfs/dbraw/zinc/18/03/61/298180361.db2.gz ZZJXGQRPUTUJRU-ZDUSSCGKSA-N 1 0 322.409 2.685 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000505791489 300228098 /nfs/dbraw/zinc/22/80/98/300228098.db2.gz VUGQSFPANYNVBO-UHFFFAOYSA-N 1 0 312.341 2.755 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000507268478 300235196 /nfs/dbraw/zinc/23/51/96/300235196.db2.gz RHBSINUNXJCIBB-SUZMYJTESA-N 1 0 323.418 2.571 20 5 DFBDRO CC[C@H](COC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000514734982 300269343 /nfs/dbraw/zinc/26/93/43/300269343.db2.gz RBKKGOHUNZKRIT-SNVBAGLBSA-N 1 0 304.293 2.711 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC2CCCCCC2)c1 ZINC000515234912 300297142 /nfs/dbraw/zinc/29/71/42/300297142.db2.gz OUPDTZGTINJZEP-INIZCTEOSA-N 1 0 322.405 2.895 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC[C@H]1CCOC1 ZINC000515311217 300300369 /nfs/dbraw/zinc/30/03/69/300300369.db2.gz CKTBOJVAWQLFEV-CZUORRHYSA-N 1 0 320.389 2.615 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000515413266 300305330 /nfs/dbraw/zinc/30/53/30/300305330.db2.gz JNJMSAGHIIQQRZ-LSDHHAIUSA-N 1 0 317.389 2.782 20 5 DFBDRO COC1([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000515498950 300310681 /nfs/dbraw/zinc/31/06/81/300310681.db2.gz LIESCRCOQGZQDW-WFASDCNBSA-N 1 0 320.389 2.756 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116281024 300315627 /nfs/dbraw/zinc/31/56/27/300315627.db2.gz HZVKJCZOUKDXDV-SMDDNHRTSA-N 1 0 309.797 2.917 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000515671611 300317922 /nfs/dbraw/zinc/31/79/22/300317922.db2.gz OXPSOGBPAPPKAV-QLFBSQMISA-N 1 0 318.373 2.904 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000516563498 300348672 /nfs/dbraw/zinc/34/86/72/300348672.db2.gz JURSHKQPBTZSGF-RDJZCZTQSA-N 1 0 322.405 2.893 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516861584 300364233 /nfs/dbraw/zinc/36/42/33/300364233.db2.gz DVPHGFTWJSCYAX-JSGCOSHPSA-N 1 0 317.389 2.782 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000519540472 300457125 /nfs/dbraw/zinc/45/71/25/300457125.db2.gz PPJVULZZHXHWAB-RDJZCZTQSA-N 1 0 320.389 2.503 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000519598491 300461905 /nfs/dbraw/zinc/46/19/05/300461905.db2.gz AGFJCJIFWDQPHB-OLZOCXBDSA-N 1 0 317.389 2.565 20 5 DFBDRO CC(C)SCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000521995446 300544697 /nfs/dbraw/zinc/54/46/97/300544697.db2.gz HFNCRRNEEULGRC-UHFFFAOYSA-N 1 0 311.407 2.655 20 5 DFBDRO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000530411897 301046164 /nfs/dbraw/zinc/04/61/64/301046164.db2.gz VESLZLMOMRFJIM-GBOPCIDUSA-N 1 0 322.409 2.821 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530418937 301047127 /nfs/dbraw/zinc/04/71/27/301047127.db2.gz ORXFULSQXMCKBR-DZGCQCFKSA-N 1 0 319.405 2.812 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531693494 301104105 /nfs/dbraw/zinc/10/41/05/301104105.db2.gz AYROTDBPNBUHAD-QWHCGFSZSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000532246609 301139387 /nfs/dbraw/zinc/13/93/87/301139387.db2.gz XKDWHAAZUGQIIL-WCQYABFASA-N 1 0 300.362 2.834 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249155 301251426 /nfs/dbraw/zinc/25/14/26/301251426.db2.gz XXCYPBJNMMLSQQ-OAHLLOKOSA-N 1 0 303.406 2.827 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000539082123 301337941 /nfs/dbraw/zinc/33/79/41/301337941.db2.gz AIJPSDUOKTXTGF-PNESKVBLSA-N 1 0 305.378 2.598 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000540153360 301359072 /nfs/dbraw/zinc/35/90/72/301359072.db2.gz DBYCTGZSFKYKEV-CYBMUJFWSA-N 1 0 307.394 2.716 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@H]2C1 ZINC000540903917 301374003 /nfs/dbraw/zinc/37/40/03/301374003.db2.gz JSMKRSLGEQBLEY-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000541054880 301381454 /nfs/dbraw/zinc/38/14/54/301381454.db2.gz WFMJZZYDRSJROK-OAHLLOKOSA-N 1 0 316.357 2.605 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000547305979 301524327 /nfs/dbraw/zinc/52/43/27/301524327.db2.gz PJRSSIOKBFKKGA-GUYCJALGSA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2C[NH+]2CCCC2)n1 ZINC000548286585 301576777 /nfs/dbraw/zinc/57/67/77/301576777.db2.gz UVDBICVVMOVUSH-CQSZACIVSA-N 1 0 304.394 2.671 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000548635150 301601968 /nfs/dbraw/zinc/60/19/68/301601968.db2.gz RZTJXBJKFTVXEW-CHWSQXEVSA-N 1 0 300.362 2.765 20 5 DFBDRO COc1ccc(F)c(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000549750631 301640717 /nfs/dbraw/zinc/64/07/17/301640717.db2.gz FTXCSVSVKBMKGQ-UHFFFAOYSA-N 1 0 320.320 2.911 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552851982 301698750 /nfs/dbraw/zinc/69/87/50/301698750.db2.gz AVTXZIARRBOIFM-VNHYZAJKSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368498787 301869598 /nfs/dbraw/zinc/86/95/98/301869598.db2.gz KMXNXMAJOUSAGJ-CXMBCZLWSA-N 1 0 317.389 2.611 20 5 DFBDRO C[NH+](C)CCCCC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000561707448 301942692 /nfs/dbraw/zinc/94/26/92/301942692.db2.gz QYBFMOADMHWHDA-UHFFFAOYSA-N 1 0 307.394 2.678 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000562832410 302007479 /nfs/dbraw/zinc/00/74/79/302007479.db2.gz CKODTEHSOZODRM-STQMWFEESA-N 1 0 307.369 2.868 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563418082 302069998 /nfs/dbraw/zinc/06/99/98/302069998.db2.gz SXESEZYXQJBUDC-WFASDCNBSA-N 1 0 319.405 2.724 20 5 DFBDRO CCN(C(=O)c1cc(C)cc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000563633706 302089899 /nfs/dbraw/zinc/08/98/99/302089899.db2.gz AVSZBFSSCAETGB-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000565039087 302187429 /nfs/dbraw/zinc/18/74/29/302187429.db2.gz WZFPCGZACAFNKV-UONOGXRCSA-N 1 0 317.389 2.603 20 5 DFBDRO CCCC[C@@H](C)[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510915 302228149 /nfs/dbraw/zinc/22/81/49/302228149.db2.gz WOVSPJCWNDHXAK-HIFRSBDPSA-N 1 0 310.394 2.845 20 5 DFBDRO CCCC[C@H](C)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000565510905 302228160 /nfs/dbraw/zinc/22/81/60/302228160.db2.gz WOVSPJCWNDHXAK-DZGCQCFKSA-N 1 0 310.394 2.845 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CSCC1CC[NH2+]CC1 ZINC000565655474 302235641 /nfs/dbraw/zinc/23/56/41/302235641.db2.gz SXOOBHUWDYXOFR-UHFFFAOYSA-N 1 0 323.418 2.575 20 5 DFBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H](O)CC(F)(F)F)cc1 ZINC000566117987 302261072 /nfs/dbraw/zinc/26/10/72/302261072.db2.gz RJQRUSBXNGPCIZ-CYBMUJFWSA-N 1 0 320.311 2.820 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000566317405 302278976 /nfs/dbraw/zinc/27/89/76/302278976.db2.gz NLKVYIOAGZWJRT-UHFFFAOYSA-N 1 0 307.394 2.554 20 5 DFBDRO C[C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000566833617 302314768 /nfs/dbraw/zinc/31/47/68/302314768.db2.gz IBULNKUCEIIARU-ZDUSSCGKSA-N 1 0 319.405 2.689 20 5 DFBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000567689745 302380209 /nfs/dbraw/zinc/38/02/09/302380209.db2.gz PWHFCYFWBHBJDU-QLFBSQMISA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567892640 302397334 /nfs/dbraw/zinc/39/73/34/302397334.db2.gz AXKPXCXTCKDARX-FMKPAKJESA-N 1 0 322.405 2.893 20 5 DFBDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568500804 302454497 /nfs/dbraw/zinc/45/44/97/302454497.db2.gz GJXLHYOBOONYKT-TZMCWYRMSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000569343166 302513248 /nfs/dbraw/zinc/51/32/48/302513248.db2.gz VCHQFYFVXNUHQM-IUCAKERBSA-N 1 0 307.375 2.665 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+]C3(C4CC4)CC3)n2)c1 ZINC000571602073 302624277 /nfs/dbraw/zinc/62/42/77/302624277.db2.gz KQMZTPRFNVYKJA-UHFFFAOYSA-N 1 0 300.318 2.677 20 5 DFBDRO COc1cc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)ccn1 ZINC000573458958 302706391 /nfs/dbraw/zinc/70/63/91/302706391.db2.gz LJYWJJZCZGJRPE-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000574444961 302759084 /nfs/dbraw/zinc/75/90/84/302759084.db2.gz JHLHWIRVAIEWMY-KCQAQPDRSA-N 1 0 310.394 2.749 20 5 DFBDRO O=C(CCc1cccc([N+](=O)[O-])c1)NCC[NH+]1CCCCCC1 ZINC000087088349 303591348 /nfs/dbraw/zinc/59/13/48/303591348.db2.gz WBODBUZFVBJQCF-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181892940 316077268 /nfs/dbraw/zinc/07/72/68/316077268.db2.gz XKZKVBRPLVYRRU-LSDHHAIUSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])cc1 ZINC000182314286 316095082 /nfs/dbraw/zinc/09/50/82/316095082.db2.gz CAFMZWVEYIZJGL-GFCCVEGCSA-N 1 0 313.357 2.853 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183039006 316127865 /nfs/dbraw/zinc/12/78/65/316127865.db2.gz CCODYFYMUSHKAQ-VXGBXAGGSA-N 1 0 323.393 2.956 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000421882797 316780031 /nfs/dbraw/zinc/78/00/31/316780031.db2.gz CPTUCPZSNKJSLR-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO CCc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc[nH+]1 ZINC000450212037 317069534 /nfs/dbraw/zinc/06/95/34/317069534.db2.gz BJOBRUNACJTCAR-UHFFFAOYSA-N 1 0 312.373 2.879 20 5 DFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000450375370 317086569 /nfs/dbraw/zinc/08/65/69/317086569.db2.gz DQQFAKHSRCUKDG-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000450375371 317087064 /nfs/dbraw/zinc/08/70/64/317087064.db2.gz DQQFAKHSRCUKDG-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1 ZINC000451427932 317109386 /nfs/dbraw/zinc/10/93/86/317109386.db2.gz VZYMWLGMLPMSHE-ZACQAIPSSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451459434 317116016 /nfs/dbraw/zinc/11/60/16/317116016.db2.gz QIWRUHRNZKFEQE-CZUORRHYSA-N 1 0 320.389 2.647 20 5 DFBDRO CN(C(=O)C[NH2+][C@@H]1CCC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000451463623 317116533 /nfs/dbraw/zinc/11/65/33/317116533.db2.gz XTSJLMRXJFMSJZ-OAHLLOKOSA-N 1 0 317.389 2.870 20 5 DFBDRO CC[C@](C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)OC ZINC000453291988 317176763 /nfs/dbraw/zinc/17/67/63/317176763.db2.gz CKPILIJUVRBTNC-KCQAQPDRSA-N 1 0 310.398 2.680 20 5 DFBDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000453293798 317177473 /nfs/dbraw/zinc/17/74/73/317177473.db2.gz PWBRPJCQYCFCBW-HUUCEWRRSA-N 1 0 315.377 2.768 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453295078 317177632 /nfs/dbraw/zinc/17/76/32/317177632.db2.gz PBKQUFJOMGPIHY-HEHGZKQESA-N 1 0 308.378 2.605 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000453394679 317183179 /nfs/dbraw/zinc/18/31/79/317183179.db2.gz WPQDOWJUMIOTSE-IAQYHMDHSA-N 1 0 308.378 2.805 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCC2)cc1[N+](=O)[O-] ZINC000453394683 317183222 /nfs/dbraw/zinc/18/32/22/317183222.db2.gz WPQDOWJUMIOTSE-XHDPSFHLSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@H]1COC(C)(C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000488197627 317375278 /nfs/dbraw/zinc/37/52/78/317375278.db2.gz IGVILHVKAYDBPP-ZDUSSCGKSA-N 1 0 308.378 2.863 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCSC1 ZINC000571915594 317994563 /nfs/dbraw/zinc/99/45/63/317994563.db2.gz XIIZGXGEPRGGNY-AAEUAGOBSA-N 1 0 323.418 2.797 20 5 DFBDRO Cn1cncc1CN[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000574816352 318042192 /nfs/dbraw/zinc/04/21/92/318042192.db2.gz SJWFUBNFNPUYAQ-LBPRGKRZSA-N 1 0 314.267 2.722 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)c1cnn(C)c1 ZINC000575034617 318058069 /nfs/dbraw/zinc/05/80/69/318058069.db2.gz SJFBZBDIGMYAIO-NSHDSACASA-N 1 0 313.361 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCc2ccccc2[C@H]1C[NH3+] ZINC000575748314 318080731 /nfs/dbraw/zinc/08/07/31/318080731.db2.gz BMXJRMQMRIEBFP-GOSISDBHSA-N 1 0 311.385 2.961 20 5 DFBDRO CC[C@H](CSC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575981559 318095703 /nfs/dbraw/zinc/09/57/03/318095703.db2.gz RKYXSYODFJUXFG-LLVKDONJSA-N 1 0 311.407 2.655 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000576707309 318144740 /nfs/dbraw/zinc/14/47/40/318144740.db2.gz LURDUJSWTMVWPX-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000577186619 318176666 /nfs/dbraw/zinc/17/66/66/318176666.db2.gz RFVRYAKRRZMHMO-PXAZEXFGSA-N 1 0 312.373 2.592 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000578083211 318236865 /nfs/dbraw/zinc/23/68/65/318236865.db2.gz OXPQNFJEJOMQGS-ZDUSSCGKSA-N 1 0 319.405 2.914 20 5 DFBDRO [NH3+]C1(c2noc(/C=C\c3ccc(F)cc3[N+](=O)[O-])n2)CCC1 ZINC000578505963 318265655 /nfs/dbraw/zinc/26/56/55/318265655.db2.gz VXRDZYXEZAQVNZ-HYXAFXHYSA-N 1 0 304.281 2.625 20 5 DFBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000579344768 318324198 /nfs/dbraw/zinc/32/41/98/318324198.db2.gz MKJOPLWRBKCZJH-UONOGXRCSA-N 1 0 322.405 2.750 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000194005490 323261694 /nfs/dbraw/zinc/26/16/94/323261694.db2.gz DADBREPBFXIMGQ-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2NCC[NH+]2CCCCCC2)s1 ZINC000390387410 323341402 /nfs/dbraw/zinc/34/14/02/323341402.db2.gz FDWBDSTUBLNQSJ-UHFFFAOYSA-N 1 0 321.406 2.887 20 5 DFBDRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000581603625 323547541 /nfs/dbraw/zinc/54/75/41/323547541.db2.gz JMSLNBPHWBVRMV-GXTWGEPZSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000584517875 337354211 /nfs/dbraw/zinc/35/42/11/337354211.db2.gz VHHJSQLHUHVIPK-OLZOCXBDSA-N 1 0 318.377 2.570 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NC1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296721819 533821202 /nfs/dbraw/zinc/82/12/02/533821202.db2.gz NBIPGBGLDCWPLC-OWYJLGKBSA-N 1 0 319.405 2.940 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](O)C23CCCC3)c([N+](=O)[O-])cc1F ZINC000292673140 533824015 /nfs/dbraw/zinc/82/40/15/533824015.db2.gz JFHLAGVESDHDBZ-HNNXBMFYSA-N 1 0 324.352 2.622 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000185434988 533824132 /nfs/dbraw/zinc/82/41/32/533824132.db2.gz GXALAMGCTOWNGO-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296685039 533825134 /nfs/dbraw/zinc/82/51/34/533825134.db2.gz IVFFBNQLESUJIK-XEZPLFJOSA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803977 533890013 /nfs/dbraw/zinc/89/00/13/533890013.db2.gz PCRYZEVLVCOLSH-KNXALSJPSA-N 1 0 307.394 2.769 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCC(C)CC1 ZINC000299320421 534041128 /nfs/dbraw/zinc/04/11/28/534041128.db2.gz FCGNGRWPRSHVBB-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000364232675 519721338 /nfs/dbraw/zinc/72/13/38/519721338.db2.gz YHGMPZCTMYSRIV-UHFFFAOYSA-N 1 0 323.368 2.538 20 5 DFBDRO Cc1nc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000309921847 534495792 /nfs/dbraw/zinc/49/57/92/534495792.db2.gz WEJUCQCLFXKABL-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO CCN1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156551296 521658774 /nfs/dbraw/zinc/65/87/74/521658774.db2.gz QDCBSQKLQKVJET-IRXDYDNUSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1c(C[N@H+](C)C[C@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000365997724 525701538 /nfs/dbraw/zinc/70/15/38/525701538.db2.gz CBBDMOASLPFQNW-AWEZNQCLSA-N 1 0 314.389 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)nc2c1 ZINC000296668094 534883847 /nfs/dbraw/zinc/88/38/47/534883847.db2.gz ZCENAUPZIYXXNG-OCCSQVGLSA-N 1 0 301.350 2.510 20 5 DFBDRO Cc1c([C@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)cccc1[N+](=O)[O-] ZINC000154674453 525920031 /nfs/dbraw/zinc/92/00/31/525920031.db2.gz KSHZMPWJHJNXNV-LBPRGKRZSA-N 1 0 313.357 2.853 20 5 DFBDRO C[C@H](c1cccnc1)[N@@H+]1CCC[C@@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369019655 526134899 /nfs/dbraw/zinc/13/48/99/526134899.db2.gz ZETBJBSRMGFHQX-TZMCWYRMSA-N 1 0 301.350 2.584 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1O ZINC000330716365 526732473 /nfs/dbraw/zinc/73/24/73/526732473.db2.gz UHBDLHQVZZYKIY-DZGCQCFKSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)C1([NH2+]Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 ZINC000293006532 527623301 /nfs/dbraw/zinc/62/33/01/527623301.db2.gz NNRODXQHASJJEM-UHFFFAOYSA-N 1 0 302.334 2.923 20 5 DFBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294533136 527713086 /nfs/dbraw/zinc/71/30/86/527713086.db2.gz ABGLZQDGJFUACZ-ABAIWWIYSA-N 1 0 309.410 2.871 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873530 527756192 /nfs/dbraw/zinc/75/61/92/527756192.db2.gz SJDALFMOOGBSNN-DZGCQCFKSA-N 1 0 321.421 2.908 20 5 DFBDRO CCC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000299441137 527894821 /nfs/dbraw/zinc/89/48/21/527894821.db2.gz WYHIGEPFIZQDBG-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000292670991 528015452 /nfs/dbraw/zinc/01/54/52/528015452.db2.gz MDKBPXILHMCUAB-LBPRGKRZSA-N 1 0 307.394 2.545 20 5 DFBDRO CCC[NH+]1CCC(Nc2cc(C(=O)OC)ccc2[N+](=O)[O-])CC1 ZINC000302125333 528206222 /nfs/dbraw/zinc/20/62/22/528206222.db2.gz ZHWSLKFXVPCPAA-UHFFFAOYSA-N 1 0 321.377 2.668 20 5 DFBDRO CCOc1cc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000317042245 528314565 /nfs/dbraw/zinc/31/45/65/528314565.db2.gz OMAUXZYLAOPJFR-IACUBPJLSA-N 1 0 305.378 2.557 20 5 DFBDRO CC1(C)CCC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000330972853 528935610 /nfs/dbraw/zinc/93/56/10/528935610.db2.gz NKJSGUAMHPKCJC-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])s2)C1 ZINC000299345572 529024735 /nfs/dbraw/zinc/02/47/35/529024735.db2.gz FUTUAJWLADMNEU-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362604463 535094040 /nfs/dbraw/zinc/09/40/40/535094040.db2.gz UBATZMKYAKVZGS-BBRMVZONSA-N 1 0 319.405 2.530 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000171980426 535500820 /nfs/dbraw/zinc/50/08/20/535500820.db2.gz JGUMQVPLOBIGGC-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355597898 535632684 /nfs/dbraw/zinc/63/26/84/535632684.db2.gz LENHFAQBWANHGS-LBPRGKRZSA-N 1 0 324.377 2.767 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000173332685 535873497 /nfs/dbraw/zinc/87/34/97/535873497.db2.gz WZOPBUCKRZHSEG-UKRRQHHQSA-N 1 0 318.377 2.685 20 5 DFBDRO CC[C@H](O)CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000357533139 535959226 /nfs/dbraw/zinc/95/92/26/535959226.db2.gz PWOHKKJMRYGMFI-ZDUSSCGKSA-N 1 0 303.362 2.836 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC1CC[NH+](CC)CC1 ZINC000361002244 535970160 /nfs/dbraw/zinc/97/01/60/535970160.db2.gz LQXXUARHEUWDRN-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@](C)(OC)CC2)ccc1[N+](=O)[O-] ZINC000361423066 536754452 /nfs/dbraw/zinc/75/44/52/536754452.db2.gz ADPXQXVGONEMHF-MRXNPFEDSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccccc1[N+](=O)[O-] ZINC000820433046 599366541 /nfs/dbraw/zinc/36/65/41/599366541.db2.gz VMXPLHFJWUHYSY-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000278319722 214087862 /nfs/dbraw/zinc/08/78/62/214087862.db2.gz KSTQPQMFBKWAFR-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC(CCCO)CC3)nc2c1 ZINC000272871710 210262052 /nfs/dbraw/zinc/26/20/52/210262052.db2.gz UYFXPRUJKDMXLQ-UHFFFAOYSA-N 1 0 319.361 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000162681366 197584286 /nfs/dbraw/zinc/58/42/86/197584286.db2.gz QXOMNYMFOWFZSG-ZDUSSCGKSA-N 1 0 320.393 2.627 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000278486414 214185826 /nfs/dbraw/zinc/18/58/26/214185826.db2.gz GPHFDTMPMSXWOV-OAHLLOKOSA-N 1 0 312.373 2.863 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000278510460 214201566 /nfs/dbraw/zinc/20/15/66/214201566.db2.gz YBTZXSYNNWLEOS-UHFFFAOYSA-N 1 0 304.394 2.848 20 5 DFBDRO Cc1ccc(NCCC[NH2+]Cc2cccnc2)c([N+](=O)[O-])c1 ZINC000316174191 231147222 /nfs/dbraw/zinc/14/72/22/231147222.db2.gz UTPHFSBWXRYFHR-UHFFFAOYSA-N 1 0 300.362 2.890 20 5 DFBDRO COc1cccc(OC)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000286576573 219062126 /nfs/dbraw/zinc/06/21/26/219062126.db2.gz PYDCGPWKQGXSKA-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591901134 398347664 /nfs/dbraw/zinc/34/76/64/398347664.db2.gz QEAJGQDYVHTJPE-ZDUSSCGKSA-N 1 0 304.394 2.763 20 5 DFBDRO C[C@@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000591915867 398353273 /nfs/dbraw/zinc/35/32/73/398353273.db2.gz XQZSYDOBCVJMOF-DGCLKSJQSA-N 1 0 304.394 2.763 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591918497 398354370 /nfs/dbraw/zinc/35/43/70/398354370.db2.gz SHVVDGAKUOPAKL-ZDUSSCGKSA-N 1 0 318.421 2.647 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633772 398364479 /nfs/dbraw/zinc/36/44/79/398364479.db2.gz NIUALPFQVPCEGR-INIZCTEOSA-N 1 0 303.406 2.759 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(c3c(Cl)cncc3[N+](=O)[O-])C2)C1 ZINC000596245442 398366450 /nfs/dbraw/zinc/36/64/50/398366450.db2.gz ZEZQEFMJAPAKRN-CQSZACIVSA-N 1 0 310.785 2.565 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)[C@H](C)C1 ZINC000596269575 398372827 /nfs/dbraw/zinc/37/28/27/398372827.db2.gz UGIZUASKDCDINX-CYBMUJFWSA-N 1 0 322.409 2.698 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@@H]1COc1ccc([N+](=O)[O-])c(CO)c1 ZINC000596271828 398373842 /nfs/dbraw/zinc/37/38/42/398373842.db2.gz IYFUSWDLPIBQIZ-CQSZACIVSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596309419 398382619 /nfs/dbraw/zinc/38/26/19/398382619.db2.gz RJLNKGRHCVKXML-SECBINFHSA-N 1 0 321.406 2.884 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)cccc1[N+](=O)[O-] ZINC000090184259 185286161 /nfs/dbraw/zinc/28/61/61/185286161.db2.gz PLMSLAWVRYSOHZ-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCCO1 ZINC000083173830 398384640 /nfs/dbraw/zinc/38/46/40/398384640.db2.gz HTRGRSXHXGLELT-GFCCVEGCSA-N 1 0 305.334 2.737 20 5 DFBDRO CC(C)Oc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538346 185301524 /nfs/dbraw/zinc/30/15/24/185301524.db2.gz KLZFOHBPBQFORH-ZDUSSCGKSA-N 1 0 318.377 2.929 20 5 DFBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000012514778 398386516 /nfs/dbraw/zinc/38/65/16/398386516.db2.gz PDTCOWZPWSLVCP-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[N@H+](CCC(C)(C)C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000592144558 398391061 /nfs/dbraw/zinc/39/10/61/398391061.db2.gz NABGKBAMTUIDEE-CQSZACIVSA-N 1 0 310.394 2.703 20 5 DFBDRO CCOc1cc(NC[C@@H]2CCC[N@@H+]2CCOC)ccc1[N+](=O)[O-] ZINC000092649493 185331480 /nfs/dbraw/zinc/33/14/80/185331480.db2.gz PKOOGDNDOXAQHM-AWEZNQCLSA-N 1 0 323.393 2.516 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000092756332 185338347 /nfs/dbraw/zinc/33/83/47/185338347.db2.gz ZDYRLTWBEMJNDX-YERXGYGTSA-N 1 0 301.390 2.778 20 5 DFBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000413354811 295700861 /nfs/dbraw/zinc/70/08/61/295700861.db2.gz HHCDNTSEIHLXPJ-UHFFFAOYSA-N 1 0 303.309 2.948 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)n2)c1 ZINC000592183487 398399021 /nfs/dbraw/zinc/39/90/21/398399021.db2.gz JLRASXSTHPCCOX-ZLKJLUDKSA-N 1 0 314.345 2.923 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000297485942 529730502 /nfs/dbraw/zinc/73/05/02/529730502.db2.gz TYIDEZDLVNUGLR-TXEJJXNPSA-N 1 0 320.393 2.714 20 5 DFBDRO CCc1nn(C)c(N[C@@H](C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000302473572 529767673 /nfs/dbraw/zinc/76/76/73/529767673.db2.gz WYUVZQKERMLVMH-LBPRGKRZSA-N 1 0 309.414 2.567 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000016599407 398402361 /nfs/dbraw/zinc/40/23/61/398402361.db2.gz SBGBUOMOCVNKJP-GFCCVEGCSA-N 1 0 319.386 2.689 20 5 DFBDRO CN(CCC[NH+](C)C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000596424771 398408792 /nfs/dbraw/zinc/40/87/92/398408792.db2.gz LGQPAAQLTXADHV-UHFFFAOYSA-N 1 0 314.817 2.544 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000066945569 398409196 /nfs/dbraw/zinc/40/91/96/398409196.db2.gz KCMUGDKCESFSSG-AWEZNQCLSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[C@@H]1[NH3+] ZINC000592332500 398413448 /nfs/dbraw/zinc/41/34/48/398413448.db2.gz YTIVWBSPUYLWTA-JQWIXIFHSA-N 1 0 323.418 2.516 20 5 DFBDRO O=[N+]([O-])c1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)ccc1NC1CC1 ZINC000592356628 398414378 /nfs/dbraw/zinc/41/43/78/398414378.db2.gz BITLABLDVRXBBJ-LBPRGKRZSA-N 1 0 315.333 2.644 20 5 DFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000592357051 398415724 /nfs/dbraw/zinc/41/57/24/398415724.db2.gz QLILZZVMYDIUSU-XPSMFNQNSA-N 1 0 300.318 2.963 20 5 DFBDRO C[C@H](c1nc([C@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1F ZINC000592357034 398415861 /nfs/dbraw/zinc/41/58/61/398415861.db2.gz OZBXFXVCSJDYOV-QPUJVOFHSA-N 1 0 306.297 2.693 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000592396115 398421006 /nfs/dbraw/zinc/42/10/06/398421006.db2.gz HHBLDSBBVBXVTK-DYVFJYSZSA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1cccc(C(=O)NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000022622949 398419835 /nfs/dbraw/zinc/41/98/35/398419835.db2.gz DYSQSKHSBPXJTF-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO Cc1cccc2nc(CC[NH2+]Cc3csc([N+](=O)[O-])c3)cn21 ZINC000592379486 398418910 /nfs/dbraw/zinc/41/89/10/398418910.db2.gz PBWVYQOWZMEEBZ-UHFFFAOYSA-N 1 0 316.386 2.945 20 5 DFBDRO CCOC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083243310 192366364 /nfs/dbraw/zinc/36/63/64/192366364.db2.gz PBHGCHFINHATQI-LLVKDONJSA-N 1 0 305.334 2.594 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000596477334 398424051 /nfs/dbraw/zinc/42/40/51/398424051.db2.gz XBTWMVVPSXOKLT-ZDUSSCGKSA-N 1 0 320.393 2.837 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@@H]1CC[N@H+](C)C1 ZINC000592459939 398428743 /nfs/dbraw/zinc/42/87/43/398428743.db2.gz QSUGJYRORKETNT-GFCCVEGCSA-N 1 0 324.356 2.682 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000596486910 398426872 /nfs/dbraw/zinc/42/68/72/398426872.db2.gz BOOGDBDEOCTDFJ-NSHDSACASA-N 1 0 310.373 2.848 20 5 DFBDRO CC(C)[C@@H]([NH3+])CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000592501088 398435609 /nfs/dbraw/zinc/43/56/09/398435609.db2.gz DTKUWAXTYHSUPY-HNNXBMFYSA-N 1 0 307.394 2.705 20 5 DFBDRO C[C@@H](CCNC(=O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183157823 199547810 /nfs/dbraw/zinc/54/78/10/199547810.db2.gz YVSQPGQKGUCHEU-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@H](CCCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000088762147 398441599 /nfs/dbraw/zinc/44/15/99/398441599.db2.gz JXVYISYOQQBAAC-LLVKDONJSA-N 1 0 321.402 2.969 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000592569792 398445888 /nfs/dbraw/zinc/44/58/88/398445888.db2.gz DKFBTICCFYZOCP-HNNXBMFYSA-N 1 0 317.389 2.616 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796072 398447680 /nfs/dbraw/zinc/44/76/80/398447680.db2.gz IUGFCDXLZBLWGN-OLZOCXBDSA-N 1 0 305.378 2.633 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]([C@@H]2CNC(=O)C2)C1 ZINC000585785747 398446976 /nfs/dbraw/zinc/44/69/76/398446976.db2.gz ANPAWBPVVFCZDX-MCIONIFRSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1ccnc(NCC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000596563991 398448735 /nfs/dbraw/zinc/44/87/35/398448735.db2.gz XKUXQEQHKNBNLP-UHFFFAOYSA-N 1 0 304.394 2.832 20 5 DFBDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000286735214 219136050 /nfs/dbraw/zinc/13/60/50/219136050.db2.gz XWWNOPQLVYSELL-IUKJFTNHSA-N 1 0 302.374 2.758 20 5 DFBDRO Cc1nnc([C@H](C)[NH2+]CCCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000273664928 398450426 /nfs/dbraw/zinc/45/04/26/398450426.db2.gz YKFNEFMKGKETJE-JTQLQIEISA-N 1 0 322.390 2.874 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033093 530065273 /nfs/dbraw/zinc/06/52/73/530065273.db2.gz RQZSVIJJRRSJSH-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO Cn1ncc2c1CC(C)(C)CN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000596598596 398457227 /nfs/dbraw/zinc/45/72/27/398457227.db2.gz HXXXGYSRRVEYJX-UHFFFAOYSA-N 1 0 314.389 2.913 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000089580844 398457596 /nfs/dbraw/zinc/45/75/96/398457596.db2.gz LWCDVROEANTGGU-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO Cc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089603258 398459308 /nfs/dbraw/zinc/45/93/08/398459308.db2.gz PXZVDRNZYANXPD-AWEZNQCLSA-N 1 0 305.378 2.568 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000596634877 398466288 /nfs/dbraw/zinc/46/62/88/398466288.db2.gz FPGHNRKJOSAFTK-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO CN(CC[NH+](C)C)c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000090103593 398480772 /nfs/dbraw/zinc/48/07/72/398480772.db2.gz KRRDJEKAFOVXLV-UHFFFAOYSA-N 1 0 300.362 2.655 20 5 DFBDRO CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000592772204 398483122 /nfs/dbraw/zinc/48/31/22/398483122.db2.gz MGWVYUFEYZRUPD-LSDHHAIUSA-N 1 0 307.394 2.748 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCO)CCc1ccccc1 ZINC000304063437 398500633 /nfs/dbraw/zinc/50/06/33/398500633.db2.gz RQWUVPZMCGJJEX-UHFFFAOYSA-N 1 0 300.358 2.632 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234253981 201903464 /nfs/dbraw/zinc/90/34/64/201903464.db2.gz PNIOBNYMISRFDX-UHFFFAOYSA-N 1 0 306.288 2.761 20 5 DFBDRO Cc1cc(N[C@@H]2CCC[NH2+]C2)c(Br)cc1[N+](=O)[O-] ZINC000235840753 201921758 /nfs/dbraw/zinc/92/17/58/201921758.db2.gz DIXCJNLMJDOXLV-SECBINFHSA-N 1 0 314.183 2.830 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[C@H](C)[NH+](C)C ZINC000596837228 398510925 /nfs/dbraw/zinc/51/09/25/398510925.db2.gz BDCGHXGZGHFYNB-LBPRGKRZSA-N 1 0 308.382 2.673 20 5 DFBDRO COC[C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)OC ZINC000272686663 210089681 /nfs/dbraw/zinc/08/96/81/210089681.db2.gz OKLMAUIEZMBPPT-CYBMUJFWSA-N 1 0 320.345 2.606 20 5 DFBDRO CC(=O)N(C)C1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068576861 398514443 /nfs/dbraw/zinc/51/44/43/398514443.db2.gz GJIUCCGVPIFYFC-LBPRGKRZSA-N 1 0 305.378 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc(CN(Cc2cc3n(n2)CCC3)C2CC2)cc1 ZINC000593020638 398522488 /nfs/dbraw/zinc/52/24/88/398522488.db2.gz NWFGLPWYDSZIAW-UHFFFAOYSA-N 1 0 312.373 2.902 20 5 DFBDRO [NH3+]CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070149194 282504913 /nfs/dbraw/zinc/50/49/13/282504913.db2.gz DVWZFMWHAGVKGK-NSHDSACASA-N 1 0 311.769 2.592 20 5 DFBDRO CC[C@@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000317052798 398533841 /nfs/dbraw/zinc/53/38/41/398533841.db2.gz UBYWTQHLZNYMIA-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO C[N@H+](CCNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000068903400 398536631 /nfs/dbraw/zinc/53/66/31/398536631.db2.gz JUSDEAWJLDLDIP-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H](CNC(=O)c1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000032731306 398537726 /nfs/dbraw/zinc/53/77/26/398537726.db2.gz BFRRIFCPEVPSQO-STQMWFEESA-N 1 0 305.378 2.588 20 5 DFBDRO Cn1cnc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000414127098 295770276 /nfs/dbraw/zinc/77/02/76/295770276.db2.gz PJFFUGRLDBWYNS-INIZCTEOSA-N 1 0 300.362 2.538 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000318797461 398539918 /nfs/dbraw/zinc/53/99/18/398539918.db2.gz ZTIRWSQKUGJVAI-NSHDSACASA-N 1 0 303.366 2.680 20 5 DFBDRO C[C@@H](CO)C1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000593084119 398541303 /nfs/dbraw/zinc/54/13/03/398541303.db2.gz MZNBLTIPASRUQX-AWEZNQCLSA-N 1 0 322.405 2.704 20 5 DFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000459609129 299146861 /nfs/dbraw/zinc/14/68/61/299146861.db2.gz IQVGCXAJCISTAO-CKEIUWERSA-N 1 0 322.405 2.893 20 5 DFBDRO COc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000320207921 398546576 /nfs/dbraw/zinc/54/65/76/398546576.db2.gz PIYKARGPGAGLCR-JTQLQIEISA-N 1 0 309.341 2.639 20 5 DFBDRO C[C@H](CCO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593108075 398547560 /nfs/dbraw/zinc/54/75/60/398547560.db2.gz LUJCXBFFIDBZAJ-SECBINFHSA-N 1 0 306.284 2.816 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000320588835 398548925 /nfs/dbraw/zinc/54/89/25/398548925.db2.gz OEYKXJHAAFWSSP-LLVKDONJSA-N 1 0 309.366 2.522 20 5 DFBDRO Cn1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000320839109 398549636 /nfs/dbraw/zinc/54/96/36/398549636.db2.gz BREFYXHGGBUDJT-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321602952 398553539 /nfs/dbraw/zinc/55/35/39/398553539.db2.gz KSHSQVDJJKMRKE-HUUCEWRRSA-N 1 0 318.377 2.733 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321992601 398555406 /nfs/dbraw/zinc/55/54/06/398555406.db2.gz OUTBTJOAZINNQY-IUODEOHRSA-N 1 0 318.377 2.591 20 5 DFBDRO C[NH+]1CCC(CCNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000323787233 398561254 /nfs/dbraw/zinc/56/12/54/398561254.db2.gz BTVINEPLCWOAFD-UHFFFAOYSA-N 1 0 315.377 2.682 20 5 DFBDRO Cc1c(C(=O)NCCC[N@@H+](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000593210631 398572139 /nfs/dbraw/zinc/57/21/39/398572139.db2.gz XCJSQKLIRACCBL-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO Cc1cc(C(=O)NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000593209793 398572573 /nfs/dbraw/zinc/57/25/73/398572573.db2.gz UQWLBDDETYKMBD-UHFFFAOYSA-N 1 0 307.394 2.611 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000593207063 398571596 /nfs/dbraw/zinc/57/15/96/398571596.db2.gz XRIIXHIGKMBFIL-UHFFFAOYSA-N 1 0 321.421 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)cn1 ZINC000589741018 398573689 /nfs/dbraw/zinc/57/36/89/398573689.db2.gz FWNLIKVKOCNVDW-DLBZAZTESA-N 1 0 324.384 2.668 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593230483 398576149 /nfs/dbraw/zinc/57/61/49/398576149.db2.gz BGYASOVOJHGSED-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000593233848 398577420 /nfs/dbraw/zinc/57/74/20/398577420.db2.gz XTYTYTXIJBFJAV-UHFFFAOYSA-N 1 0 315.320 2.998 20 5 DFBDRO Cc1cccc(N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593234608 398577435 /nfs/dbraw/zinc/57/74/35/398577435.db2.gz YKZBOMVOLUHLCG-LZWOXQAQSA-N 1 0 319.405 2.626 20 5 DFBDRO [NH3+]CCC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000593234337 398577496 /nfs/dbraw/zinc/57/74/96/398577496.db2.gz FOBBRXGSKVZSAK-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000589939124 398584279 /nfs/dbraw/zinc/58/42/79/398584279.db2.gz RVUJZFYZUKXDOG-CMPLNLGQSA-N 1 0 304.268 2.530 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589938403 398584436 /nfs/dbraw/zinc/58/44/36/398584436.db2.gz QKFGAVYBGIAUCY-AAEUAGOBSA-N 1 0 318.295 2.839 20 5 DFBDRO CN1CC(C[N@H+](C)Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000597202775 398589048 /nfs/dbraw/zinc/58/90/48/398589048.db2.gz JDPGAELCVYKTDH-UHFFFAOYSA-N 1 0 315.373 2.848 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000133327255 185974256 /nfs/dbraw/zinc/97/42/56/185974256.db2.gz OOTBJFOBXNGVDM-GFCCVEGCSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1nnc(C(C)(C)C)[nH]1 ZINC000459672930 299161885 /nfs/dbraw/zinc/16/18/85/299161885.db2.gz HKLCWPVGPVLMGF-LLVKDONJSA-N 1 0 317.393 2.731 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000092652163 398590091 /nfs/dbraw/zinc/59/00/91/398590091.db2.gz XLMGMIKCFHARIG-SNVBAGLBSA-N 1 0 315.320 2.950 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CC3)CC2)c2ncccc12 ZINC000092686258 398594625 /nfs/dbraw/zinc/59/46/25/398594625.db2.gz VXKCBTNMEOCMEF-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO C[C@]1(C(F)F)CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253008 398608453 /nfs/dbraw/zinc/60/84/53/398608453.db2.gz WQYMSDDTQVYKCY-CSPWOOARSA-N 1 0 312.316 2.964 20 5 DFBDRO COC(=O)[C@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000597243286 398604614 /nfs/dbraw/zinc/60/46/14/398604614.db2.gz FZDDPVDBCPAHIC-ZCDQOCIJSA-N 1 0 304.346 2.539 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147757 398614788 /nfs/dbraw/zinc/61/47/88/398614788.db2.gz ZCKJBDMQDPIATQ-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000043147759 398614910 /nfs/dbraw/zinc/61/49/10/398614910.db2.gz ZCKJBDMQDPIATQ-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)C(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068672 282673358 /nfs/dbraw/zinc/67/33/58/282673358.db2.gz JLKNWDWDYVEYFD-DOMZBBRYSA-N 1 0 307.394 2.796 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000171057435 197871648 /nfs/dbraw/zinc/87/16/48/197871648.db2.gz HKSCPXAKCXZFEV-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697652 398630818 /nfs/dbraw/zinc/63/08/18/398630818.db2.gz NAFVMPOYIMBZKB-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593468384 398638356 /nfs/dbraw/zinc/63/83/56/398638356.db2.gz FMMNQTHNYPSGBG-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000171449582 186161893 /nfs/dbraw/zinc/16/18/93/186161893.db2.gz DYGUYZFZTIGKRN-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000177857178 186194484 /nfs/dbraw/zinc/19/44/84/186194484.db2.gz IPTJWWXQBNEGKZ-GFCCVEGCSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000414654814 295812581 /nfs/dbraw/zinc/81/25/81/295812581.db2.gz GPTMFURJBOWOTA-ZDUSSCGKSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000414659894 295812809 /nfs/dbraw/zinc/81/28/09/295812809.db2.gz NNSIFPSYADRZSC-YPMHNXCESA-N 1 0 306.366 2.542 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000072871765 398643909 /nfs/dbraw/zinc/64/39/09/398643909.db2.gz OQHYGQJJTSIDJY-RYUDHWBXSA-N 1 0 321.377 2.520 20 5 DFBDRO CCc1ccc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000188049986 186249734 /nfs/dbraw/zinc/24/97/34/186249734.db2.gz WUBNGOLJCWFVMJ-UHFFFAOYSA-N 1 0 319.405 2.714 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000265985627 186349238 /nfs/dbraw/zinc/34/92/38/186349238.db2.gz CYOJVBJYXSAGPP-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000590693387 398652693 /nfs/dbraw/zinc/65/26/93/398652693.db2.gz URBFFDOZKSGWDV-BXUZGUMPSA-N 1 0 300.362 2.895 20 5 DFBDRO CCc1nn(C)c(NCCCC[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000094136771 398654421 /nfs/dbraw/zinc/65/44/21/398654421.db2.gz GGKTUXOHOWCJGJ-CYBMUJFWSA-N 1 0 323.441 2.815 20 5 DFBDRO Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000590720090 398658142 /nfs/dbraw/zinc/65/81/42/398658142.db2.gz BGYUGEJQDIXZSR-WBMJQRKESA-N 1 0 312.373 2.592 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000459742594 299179973 /nfs/dbraw/zinc/17/99/73/299179973.db2.gz COFCRGDTANSOOR-CABCVRRESA-N 1 0 306.362 2.521 20 5 DFBDRO C[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000459749282 299181446 /nfs/dbraw/zinc/18/14/46/299181446.db2.gz YJYJCONMGHFYQN-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)cs1 ZINC000593652352 398665806 /nfs/dbraw/zinc/66/58/06/398665806.db2.gz DPSPQGDCICZMLN-INIZCTEOSA-N 1 0 318.398 2.622 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cc(C)cc(N)c2)cc1[N+](=O)[O-] ZINC000414973309 295842737 /nfs/dbraw/zinc/84/27/37/295842737.db2.gz ZFFKTLPPHOKWDV-UHFFFAOYSA-N 1 0 301.346 2.784 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000172839884 198156786 /nfs/dbraw/zinc/15/67/86/198156786.db2.gz UWXGPXFTDITKAR-AWEZNQCLSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1ccc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000172839203 198156815 /nfs/dbraw/zinc/15/68/15/198156815.db2.gz DEESFYHXQZONHK-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO O=C(C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000459781338 299190941 /nfs/dbraw/zinc/19/09/41/299190941.db2.gz NQXWBCHUKGZHPI-SUZMYJTESA-N 1 0 323.780 2.965 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172947168 198169397 /nfs/dbraw/zinc/16/93/97/198169397.db2.gz MWERGSAAMTZIMA-SDDRHHMPSA-N 1 0 303.362 2.510 20 5 DFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597698674 398681953 /nfs/dbraw/zinc/68/19/53/398681953.db2.gz HHSUIYMNSBLWNM-GXFFZTMASA-N 1 0 317.345 2.506 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000072976476 191262010 /nfs/dbraw/zinc/26/20/10/191262010.db2.gz XNNFPBSZQGFPMU-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1 ZINC000173576894 198229530 /nfs/dbraw/zinc/22/95/30/198229530.db2.gz RNHOFOFQGPRBGL-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCc2sccc2C1 ZINC000073588003 398689231 /nfs/dbraw/zinc/68/92/31/398689231.db2.gz YZUCZPFCDKJFIC-LLVKDONJSA-N 1 0 318.402 2.910 20 5 DFBDRO CCN1CC[NH+](C[C@H](C)CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000277123008 213307541 /nfs/dbraw/zinc/30/75/41/213307541.db2.gz OMFBQUWUJZUAQL-CQSZACIVSA-N 1 0 320.437 2.589 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)CC[NH+]1CCCCC1 ZINC000593883458 398699937 /nfs/dbraw/zinc/69/99/37/398699937.db2.gz OVRSYXVKVZYXQO-UHFFFAOYSA-N 1 0 319.405 2.770 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1[N+](=O)[O-] ZINC000593906184 398702129 /nfs/dbraw/zinc/70/21/29/398702129.db2.gz SMOOEEFCZOHWCX-NILFDRSVSA-N 1 0 317.389 2.611 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CCC[NH2+]CC1 ZINC000593903511 398702187 /nfs/dbraw/zinc/70/21/87/398702187.db2.gz CZIGLESDFLJEID-HNNXBMFYSA-N 1 0 319.405 2.722 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000174363151 198325558 /nfs/dbraw/zinc/32/55/58/198325558.db2.gz VFSHIQHJJIQCPU-DOMZBBRYSA-N 1 0 320.393 2.789 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000593915991 398703125 /nfs/dbraw/zinc/70/31/25/398703125.db2.gz NAUTYXHIMYDLKK-XHDPSFHLSA-N 1 0 319.405 2.801 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000174532146 198348230 /nfs/dbraw/zinc/34/82/30/198348230.db2.gz YTOLBMYMYAUOOA-AWEZNQCLSA-N 1 0 317.389 2.543 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597859208 398706117 /nfs/dbraw/zinc/70/61/17/398706117.db2.gz BATQVJRYBUJOFN-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000597861389 398706451 /nfs/dbraw/zinc/70/64/51/398706451.db2.gz SZSGIIPWGLSTRL-LLVKDONJSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cn1)[N@@H+]1CCc2sccc2C1 ZINC000046479127 398707996 /nfs/dbraw/zinc/70/79/96/398707996.db2.gz PJKNQCZRQAOKQE-LLVKDONJSA-N 1 0 318.402 2.910 20 5 DFBDRO C[C@@]1(c2ccccc2)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000174862108 198393839 /nfs/dbraw/zinc/39/38/39/198393839.db2.gz IYMSYYKEXGIVCU-QGZVFWFLSA-N 1 0 314.389 2.845 20 5 DFBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000046859296 398721774 /nfs/dbraw/zinc/72/17/74/398721774.db2.gz BVVKBMXMHZZOFQ-GFCCVEGCSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000415588707 295892396 /nfs/dbraw/zinc/89/23/96/295892396.db2.gz YABXYAVALDYOAO-TZMCWYRMSA-N 1 0 320.393 2.945 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1F ZINC000591149422 398732625 /nfs/dbraw/zinc/73/26/25/398732625.db2.gz ZLVFUQJWZLUTRB-NEPJUHHUSA-N 1 0 308.357 2.582 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCCCC1 ZINC000415630378 295895202 /nfs/dbraw/zinc/89/52/02/295895202.db2.gz LBWILCNGFPTFMN-UHFFFAOYSA-N 1 0 324.356 2.907 20 5 DFBDRO C[C@@H](O)C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000594061085 398735360 /nfs/dbraw/zinc/73/53/60/398735360.db2.gz BKXLXGOXPFWDLL-SECBINFHSA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1cc(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000047119438 398737242 /nfs/dbraw/zinc/73/72/42/398737242.db2.gz RKNUPMQZUYPYKK-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CCN(C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](CC)C1 ZINC000598038196 398741866 /nfs/dbraw/zinc/74/18/66/398741866.db2.gz AIGXKZIQWHCITP-BBRMVZONSA-N 1 0 319.405 2.641 20 5 DFBDRO CCc1ccc(C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000598041228 398741973 /nfs/dbraw/zinc/74/19/73/398741973.db2.gz RYLYKDJAMZETQK-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cs1 ZINC000075836044 191521422 /nfs/dbraw/zinc/52/14/22/191521422.db2.gz VYASUIICYWKPOT-ZDUSSCGKSA-N 1 0 309.435 2.964 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282683 398745394 /nfs/dbraw/zinc/74/53/94/398745394.db2.gz OWRQQSHCCRTADR-AWEZNQCLSA-N 1 0 319.405 2.758 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591438671 398761053 /nfs/dbraw/zinc/76/10/53/398761053.db2.gz PHYDXQRTDWEXAZ-KOLCDFICSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591440648 398761058 /nfs/dbraw/zinc/76/10/58/398761058.db2.gz DLCXXNOKBXHQNV-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1ccnc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591441942 398761627 /nfs/dbraw/zinc/76/16/27/398761627.db2.gz LHDMAOYOQWFDRQ-UONOGXRCSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591441399 398761723 /nfs/dbraw/zinc/76/17/23/398761723.db2.gz AHDQCHLKLUOYGC-STQMWFEESA-N 1 0 307.369 2.950 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000591441396 398761740 /nfs/dbraw/zinc/76/17/40/398761740.db2.gz AHDQCHLKLUOYGC-OLZOCXBDSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591443240 398762246 /nfs/dbraw/zinc/76/22/46/398762246.db2.gz ZDMCOKMMMSAWMJ-KBPBESRZSA-N 1 0 304.394 2.514 20 5 DFBDRO CC(=O)NCC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272270175 209652762 /nfs/dbraw/zinc/65/27/62/209652762.db2.gz CXLONBIXEOZUAQ-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202868 398764748 /nfs/dbraw/zinc/76/47/48/398764748.db2.gz UEWLRVUPDBGSKI-CVEARBPZSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594202785 398764839 /nfs/dbraw/zinc/76/48/39/398764839.db2.gz RTGGECFYJDPIGS-ZIAGYGMSSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000594201740 398765120 /nfs/dbraw/zinc/76/51/20/398765120.db2.gz QOLURUQUJMGYMC-HOCLYGCPSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000047966193 398765920 /nfs/dbraw/zinc/76/59/20/398765920.db2.gz DEDUZJHOZOFGAB-HNNXBMFYSA-N 1 0 308.378 2.599 20 5 DFBDRO CN(C(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+]1CCCC1 ZINC000416100213 295920694 /nfs/dbraw/zinc/92/06/94/295920694.db2.gz VZUDHMGNPFTGNW-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CN(C(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+]1CCCC1 ZINC000416099933 295920715 /nfs/dbraw/zinc/92/07/15/295920715.db2.gz VWWMJXIEDUVECT-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000177597633 198749795 /nfs/dbraw/zinc/74/97/95/198749795.db2.gz IOWHJRZQWSILDQ-ZIAGYGMSSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1ccccc1C[NH+](C)C ZINC000048174149 398775826 /nfs/dbraw/zinc/77/58/26/398775826.db2.gz NJKRXGPCKNEHIZ-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO CCCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000236837437 202032487 /nfs/dbraw/zinc/03/24/87/202032487.db2.gz NCZRUPBOUFVGGH-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)OCC[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000081637931 192306095 /nfs/dbraw/zinc/30/60/95/192306095.db2.gz QYDHEMKAYZUHHM-HNNXBMFYSA-N 1 0 321.421 2.698 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000598261714 398779484 /nfs/dbraw/zinc/77/94/84/398779484.db2.gz UGEYGLRFDCTXAQ-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO O=C(NC[C@@H]1CCCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000591677890 398780200 /nfs/dbraw/zinc/78/02/00/398780200.db2.gz WZSCUJPCXLTHIK-NSHDSACASA-N 1 0 319.386 2.681 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cccc1[N+](=O)[O-] ZINC000598264905 398780442 /nfs/dbraw/zinc/78/04/42/398780442.db2.gz RPAKIMUKECQHRF-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO CCc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1[N+](=O)[O-] ZINC000236962451 202095517 /nfs/dbraw/zinc/09/55/17/202095517.db2.gz GYXNXZARTGVPPI-CQSZACIVSA-N 1 0 307.394 2.603 20 5 DFBDRO CCCC1(C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000591753080 398784215 /nfs/dbraw/zinc/78/42/15/398784215.db2.gz YYKVPKSKGXBZFT-ZDUSSCGKSA-N 1 0 308.378 2.504 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CCCCS1)Nc1ccccc1[N+](=O)[O-] ZINC000591759228 398784825 /nfs/dbraw/zinc/78/48/25/398784825.db2.gz HOIKFBPQUDSUIX-LBPRGKRZSA-N 1 0 323.418 2.799 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000594390605 398791083 /nfs/dbraw/zinc/79/10/83/398791083.db2.gz XYKWOTUJBPVEAX-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000177782121 198775353 /nfs/dbraw/zinc/77/53/53/198775353.db2.gz XUWDOACARWJBTR-OAHLLOKOSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135279875 283213912 /nfs/dbraw/zinc/21/39/12/283213912.db2.gz SIAWVVKBOHTVPQ-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CCOC(=O)C1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000237158814 202169962 /nfs/dbraw/zinc/16/99/62/202169962.db2.gz SGTXKFUKTROPGP-UHFFFAOYSA-N 1 0 306.362 2.806 20 5 DFBDRO CCOc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902514 213163272 /nfs/dbraw/zinc/16/32/72/213163272.db2.gz MAGTUFKWVAETPQ-DZGCQCFKSA-N 1 0 321.421 2.908 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000276899272 213162707 /nfs/dbraw/zinc/16/27/07/213162707.db2.gz LOEMZNZSRIISAS-ZFWWWQNUSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000594494924 398809584 /nfs/dbraw/zinc/80/95/84/398809584.db2.gz LLHFRDYQAFQZCA-CJNGLKHVSA-N 1 0 301.390 2.656 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000179398390 199027732 /nfs/dbraw/zinc/02/77/32/199027732.db2.gz CBLJXQVLQUHZFG-LBPRGKRZSA-N 1 0 323.393 2.559 20 5 DFBDRO COCC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000594511059 398813160 /nfs/dbraw/zinc/81/31/60/398813160.db2.gz PEEULLBFYDOWAY-OAHLLOKOSA-N 1 0 304.390 2.932 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000594595101 398827081 /nfs/dbraw/zinc/82/70/81/398827081.db2.gz RTFJPRBKPTTYJD-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO COC(=O)CCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594606118 398830298 /nfs/dbraw/zinc/83/02/98/398830298.db2.gz FMXVZRLRSSISIH-AWEZNQCLSA-N 1 0 306.362 2.905 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000075961148 398830836 /nfs/dbraw/zinc/83/08/36/398830836.db2.gz YYACLURLFGQCHK-UHFFFAOYSA-N 1 0 306.366 2.543 20 5 DFBDRO CC(C)(C)[C@@H]([NH3+])c1cn(-c2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000594653981 398838240 /nfs/dbraw/zinc/83/82/40/398838240.db2.gz RUAYVMXLILZTDT-LBPRGKRZSA-N 1 0 309.757 2.875 20 5 DFBDRO COc1cc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000594693596 398842999 /nfs/dbraw/zinc/84/29/99/398842999.db2.gz PSWRQJRMYJIBBQ-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1cccc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000594692729 398843324 /nfs/dbraw/zinc/84/33/24/398843324.db2.gz BVVNFEUIJGVUFN-CQSZACIVSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1ccnc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000594696044 398843664 /nfs/dbraw/zinc/84/36/64/398843664.db2.gz IKTPYLSCIPLFAG-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594696811 398843917 /nfs/dbraw/zinc/84/39/17/398843917.db2.gz MFZBGLZHXFGCAP-CYBMUJFWSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1cc(N2CC[C@H](C)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000598633541 398844093 /nfs/dbraw/zinc/84/40/93/398844093.db2.gz BGVOWMSMKJWOEQ-WCQYABFASA-N 1 0 315.373 2.906 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594712698 398847275 /nfs/dbraw/zinc/84/72/75/398847275.db2.gz VXSYVFWHRHRJDQ-WFASDCNBSA-N 1 0 308.378 2.687 20 5 DFBDRO Cc1nn(C)c(NCCC[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000076354116 398852512 /nfs/dbraw/zinc/85/25/12/398852512.db2.gz ZXBWAQWFJWDBOA-UHFFFAOYSA-N 1 0 309.414 2.703 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000180341751 199147660 /nfs/dbraw/zinc/14/76/60/199147660.db2.gz OUEIZDXXFPKIDZ-AWEZNQCLSA-N 1 0 319.405 2.734 20 5 DFBDRO CC[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000598663381 398850368 /nfs/dbraw/zinc/85/03/68/398850368.db2.gz BQPQNAMYWDKOES-BBRMVZONSA-N 1 0 319.405 2.942 20 5 DFBDRO Cc1c(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000237301133 202223541 /nfs/dbraw/zinc/22/35/41/202223541.db2.gz ZBQAIIXIMRXADC-NSHDSACASA-N 1 0 305.378 2.868 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1c1ncccc1[N+](=O)[O-] ZINC000076691215 398865389 /nfs/dbraw/zinc/86/53/89/398865389.db2.gz HXLPYDMPEHSQNM-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000153055762 283350861 /nfs/dbraw/zinc/35/08/61/283350861.db2.gz DDZXWONEGPOAPZ-WBMJQRKESA-N 1 0 321.421 2.984 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)CCC(C)C)c([N+](=O)[O-])c1 ZINC000053361026 398869978 /nfs/dbraw/zinc/86/99/78/398869978.db2.gz BMSPYDRQHVFUJJ-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000180604989 199182870 /nfs/dbraw/zinc/18/28/70/199182870.db2.gz XCKPHCQYISDPLH-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnn2c1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594934541 398875410 /nfs/dbraw/zinc/87/54/10/398875410.db2.gz BUPCBFNPTKHOAV-HNNXBMFYSA-N 1 0 300.362 2.978 20 5 DFBDRO COc1cccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1 ZINC000276625566 213008450 /nfs/dbraw/zinc/00/84/50/213008450.db2.gz MQVZZCNPBKFBCW-UHFFFAOYSA-N 1 0 321.764 2.984 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)c2ccccn2)c([N+](=O)[O-])cc1O ZINC000594955173 398881225 /nfs/dbraw/zinc/88/12/25/398881225.db2.gz OQEYNDHDHQMXRF-NSHDSACASA-N 1 0 317.345 2.597 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)C(C)(C)C ZINC000468637504 299281009 /nfs/dbraw/zinc/28/10/09/299281009.db2.gz JARUVUQBJHIQSI-JLHYYAGUSA-N 1 0 319.405 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000595001196 398889239 /nfs/dbraw/zinc/88/92/39/398889239.db2.gz RRGXSWUURGINDA-UHFFFAOYSA-N 1 0 300.305 2.625 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1c[nH]nc1C ZINC000595005608 398890175 /nfs/dbraw/zinc/89/01/75/398890175.db2.gz BMBMKBBOXBEXNQ-GFCCVEGCSA-N 1 0 318.377 2.918 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000140422677 398890419 /nfs/dbraw/zinc/89/04/19/398890419.db2.gz ZUPAZTVXMQNSIF-CYBMUJFWSA-N 1 0 305.378 2.962 20 5 DFBDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000598915962 398892797 /nfs/dbraw/zinc/89/27/97/398892797.db2.gz RMXLPSAQOWJSHH-OTYXRUKQSA-N 1 0 324.768 2.593 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000595023900 398894377 /nfs/dbraw/zinc/89/43/77/398894377.db2.gz ZIWBHEGTHITVFP-CMPLNLGQSA-N 1 0 318.377 2.917 20 5 DFBDRO Cc1c(C(=O)NCC2(C[NH+](C)C)CCCC2)cccc1[N+](=O)[O-] ZINC000185887076 199899989 /nfs/dbraw/zinc/89/99/89/199899989.db2.gz KLCWBOKEHZHNLU-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595030736 398894756 /nfs/dbraw/zinc/89/47/56/398894756.db2.gz VDQWNEGAPKINIA-SLEUVZQESA-N 1 0 307.394 2.594 20 5 DFBDRO COC[C@H](CC1CCOCC1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000595029854 398895004 /nfs/dbraw/zinc/89/50/04/398895004.db2.gz ZPPRFSSFJDXHRV-INIZCTEOSA-N 1 0 322.405 2.559 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2n[nH]cc2C1 ZINC000598940104 398895019 /nfs/dbraw/zinc/89/50/19/398895019.db2.gz LYDGTYZCUNBFSQ-LBPRGKRZSA-N 1 0 300.362 2.697 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC(F)F ZINC000595038513 398895989 /nfs/dbraw/zinc/89/59/89/398895989.db2.gz KSGVILMUDGIZIC-VIFPVBQESA-N 1 0 304.293 2.883 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000595042541 398896401 /nfs/dbraw/zinc/89/64/01/398896401.db2.gz AEABGFSPOCJZLL-YNEHKIRRSA-N 1 0 308.378 2.805 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000142087093 398896876 /nfs/dbraw/zinc/89/68/76/398896876.db2.gz SOBNWUAHYVZHIQ-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598964409 398898556 /nfs/dbraw/zinc/89/85/56/398898556.db2.gz VAZULYVKOGRWMG-CYBMUJFWSA-N 1 0 307.394 2.566 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1 ZINC000276358681 212827986 /nfs/dbraw/zinc/82/79/86/212827986.db2.gz VJJNTVCIRZQMGC-UHFFFAOYSA-N 1 0 300.362 2.706 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC1 ZINC000595059771 398899483 /nfs/dbraw/zinc/89/94/83/398899483.db2.gz IJKUDWCPNFBKMA-XJKCOSOUSA-N 1 0 308.378 2.605 20 5 DFBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000595069174 398901837 /nfs/dbraw/zinc/90/18/37/398901837.db2.gz NOVJYSYTKHBFNL-CZUORRHYSA-N 1 0 322.405 2.995 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccoc1 ZINC000595076368 398902341 /nfs/dbraw/zinc/90/23/41/398902341.db2.gz FWEFAIPFEJTOJK-LBPRGKRZSA-N 1 0 317.345 2.737 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2ccoc2)n1 ZINC000595092501 398903729 /nfs/dbraw/zinc/90/37/29/398903729.db2.gz YAGNOYAHMGSXFI-ZIAGYGMSSA-N 1 0 304.350 2.700 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595088398 398903865 /nfs/dbraw/zinc/90/38/65/398903865.db2.gz BQIJOCHYPIHIIY-WQVCFCJDSA-N 1 0 304.390 2.809 20 5 DFBDRO CCCN1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096836 398904417 /nfs/dbraw/zinc/90/44/17/398904417.db2.gz MUWCASYUZAMJNT-ZBFHGGJFSA-N 1 0 305.422 2.990 20 5 DFBDRO CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095313 398904601 /nfs/dbraw/zinc/90/46/01/398904601.db2.gz IHYYQJDEVKUTKH-STQMWFEESA-N 1 0 307.394 2.738 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000470184114 299293003 /nfs/dbraw/zinc/29/30/03/299293003.db2.gz FUWPIMHYQRXKOF-BMQCOBNYSA-N 1 0 317.389 2.728 20 5 DFBDRO COC(=O)C(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174825 299293223 /nfs/dbraw/zinc/29/32/23/299293223.db2.gz WGTZSSAMXUVZPO-XYOKQWHBSA-N 1 0 306.362 2.787 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000187200002 200076716 /nfs/dbraw/zinc/07/67/16/200076716.db2.gz STQNHJUJFAPGIT-UHFFFAOYSA-N 1 0 319.405 2.884 20 5 DFBDRO CN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)CC(F)F ZINC000599024112 398909879 /nfs/dbraw/zinc/90/98/79/398909879.db2.gz YYLGDUSYAOZAJA-UHFFFAOYSA-N 1 0 307.728 2.535 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000599022410 398909099 /nfs/dbraw/zinc/90/90/99/398909099.db2.gz MOKPDIJSBFKDSF-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599042862 398911672 /nfs/dbraw/zinc/91/16/72/398911672.db2.gz GHBPMYDNHGSCJP-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225849 398911726 /nfs/dbraw/zinc/91/17/26/398911726.db2.gz OYDQVRVSPIYKGS-YPMHNXCESA-N 1 0 323.418 2.651 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1([NH3+])CCCC1 ZINC000595234877 398912210 /nfs/dbraw/zinc/91/22/10/398912210.db2.gz IABWSBRWDPWIEV-UHFFFAOYSA-N 1 0 306.366 2.605 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H](C)Cc1ccsc1 ZINC000187794373 200157158 /nfs/dbraw/zinc/15/71/58/200157158.db2.gz ITKUMRNJKCJAHY-LBPRGKRZSA-N 1 0 308.407 2.806 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595236974 398912398 /nfs/dbraw/zinc/91/23/98/398912398.db2.gz SXBKLHFTUINGSO-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000147913429 398914014 /nfs/dbraw/zinc/91/40/14/398914014.db2.gz SZDQUDUFJCFQHU-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@@H]1C ZINC000599056981 398914538 /nfs/dbraw/zinc/91/45/38/398914538.db2.gz AUBCIFYZSFMOJF-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1CC=CC1 ZINC000599065078 398915928 /nfs/dbraw/zinc/91/59/28/398915928.db2.gz MUIYRHFVFHPPQO-GFCCVEGCSA-N 1 0 303.362 2.868 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599083519 398918963 /nfs/dbraw/zinc/91/89/63/398918963.db2.gz YFXGBYNJDMEUPB-UGQVUOCMSA-N 1 0 304.390 2.667 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000599093708 398919906 /nfs/dbraw/zinc/91/99/06/398919906.db2.gz QEIYZEMUBDKHSA-MLGOLLRUSA-N 1 0 317.389 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000188413315 200242129 /nfs/dbraw/zinc/24/21/29/200242129.db2.gz SQHRINRLFCHJNB-GIZXNFQBSA-N 1 0 312.373 2.969 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000281116499 216090408 /nfs/dbraw/zinc/09/04/08/216090408.db2.gz XDJHAAPCXGQHQK-MRXNPFEDSA-N 1 0 313.357 2.781 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H](C)[NH2+]1 ZINC000599102247 398921288 /nfs/dbraw/zinc/92/12/88/398921288.db2.gz CJDJRAJPUCTJMQ-BETUJISGSA-N 1 0 312.373 2.843 20 5 DFBDRO CCC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000188497568 200256322 /nfs/dbraw/zinc/25/63/22/200256322.db2.gz YRIHFMATXOVJJA-IUODEOHRSA-N 1 0 307.394 2.892 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595331248 398922483 /nfs/dbraw/zinc/92/24/83/398922483.db2.gz SXFCNHGGSLRDPC-CYBMUJFWSA-N 1 0 309.385 2.898 20 5 DFBDRO Cc1noc(CN2CCOC3(C2)CCCCCC3)c1[N+](=O)[O-] ZINC000595345868 398925069 /nfs/dbraw/zinc/92/50/69/398925069.db2.gz CIIVMFGQXWYKBH-UHFFFAOYSA-N 1 0 309.366 2.816 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599127974 398925251 /nfs/dbraw/zinc/92/52/51/398925251.db2.gz SPBWUCDERQPXCA-AWEZNQCLSA-N 1 0 321.425 2.939 20 5 DFBDRO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342504 398924296 /nfs/dbraw/zinc/92/42/96/398924296.db2.gz LOIWTBXAPXVDSX-OAHLLOKOSA-N 1 0 318.352 2.903 20 5 DFBDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308386 296008847 /nfs/dbraw/zinc/00/88/47/296008847.db2.gz HSKXAEDJGMDKTP-RHSMWYFYSA-N 1 0 317.389 2.573 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000189021373 200336771 /nfs/dbraw/zinc/33/67/71/200336771.db2.gz RLAUEJDZBMZQCW-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189200542 200363014 /nfs/dbraw/zinc/36/30/14/200363014.db2.gz XYQBACCPYWQQIK-KRWDZBQOSA-N 1 0 320.389 2.994 20 5 DFBDRO CN1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000417312411 296008962 /nfs/dbraw/zinc/00/89/62/296008962.db2.gz NQZGDXCRPJUKDF-CJNGLKHVSA-N 1 0 317.389 2.573 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000595389245 398930834 /nfs/dbraw/zinc/93/08/34/398930834.db2.gz NZZBQZHYJUOWHM-CYBMUJFWSA-N 1 0 308.353 2.982 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CCSC1)CCCC2 ZINC000417314597 296009255 /nfs/dbraw/zinc/00/92/55/296009255.db2.gz RLWZTVPOKHENLR-CVEARBPZSA-N 1 0 322.430 2.820 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000189313199 200380710 /nfs/dbraw/zinc/38/07/10/200380710.db2.gz KJBONUBWUZTGDZ-CVEARBPZSA-N 1 0 314.389 2.792 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H]1CCCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000281166705 216125400 /nfs/dbraw/zinc/12/54/00/216125400.db2.gz POHSMGVDGYFIRZ-YOEHRIQHSA-N 1 0 319.405 2.894 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]C[C@@H]1CC12CC2)c1ccc([N+](=O)[O-])cc1 ZINC000417343876 296012246 /nfs/dbraw/zinc/01/22/46/296012246.db2.gz VCXWOEUFVPUMIP-ZFWWWQNUSA-N 1 0 312.373 2.807 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CC=CCC1)C1CC1 ZINC000281192780 216143141 /nfs/dbraw/zinc/14/31/41/216143141.db2.gz RLVCEUQYTJBMKT-KRWDZBQOSA-N 1 0 315.417 2.767 20 5 DFBDRO CC[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@H](C)[NH2+]1 ZINC000599178425 398935293 /nfs/dbraw/zinc/93/52/93/398935293.db2.gz FCDUJZFHRSEAHX-WCQYABFASA-N 1 0 300.362 2.720 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424196 398935496 /nfs/dbraw/zinc/93/54/96/398935496.db2.gz ULKDHIOTESVIJX-CHWSQXEVSA-N 1 0 309.366 2.530 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442190 398939259 /nfs/dbraw/zinc/93/92/59/398939259.db2.gz QCDODXNOQNKGAV-BLLLJJGKSA-N 1 0 318.348 2.988 20 5 DFBDRO COC[C@H](Cc1ccccc1)N(C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595457613 398942237 /nfs/dbraw/zinc/94/22/37/398942237.db2.gz MEZPPHBNHVVCQC-AWEZNQCLSA-N 1 0 319.361 2.581 20 5 DFBDRO CCO[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CC1 ZINC000599263505 398943762 /nfs/dbraw/zinc/94/37/62/398943762.db2.gz QBXJSUHBNCESBA-QGZVFWFLSA-N 1 0 319.405 2.532 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000078246627 398943766 /nfs/dbraw/zinc/94/37/66/398943766.db2.gz MNZFMTMEMYTZAF-OAHLLOKOSA-N 1 0 300.362 2.575 20 5 DFBDRO Cc1noc(CN(C)CCCOCc2ccccc2)c1[N+](=O)[O-] ZINC000595471264 398945978 /nfs/dbraw/zinc/94/59/78/398945978.db2.gz YFRFHDQOFXMREQ-UHFFFAOYSA-N 1 0 319.361 2.930 20 5 DFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595474892 398946575 /nfs/dbraw/zinc/94/65/75/398946575.db2.gz HVMBXPBJHIRVRK-CQSZACIVSA-N 1 0 323.368 2.615 20 5 DFBDRO COc1ccc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507450 398952941 /nfs/dbraw/zinc/95/29/41/398952941.db2.gz NLOTUKKYPIEUBT-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000056043332 398953487 /nfs/dbraw/zinc/95/34/87/398953487.db2.gz KZUUZXLZLLJZFC-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000157590450 398954881 /nfs/dbraw/zinc/95/48/81/398954881.db2.gz ZKCFCDGVXGQPPB-MNOVXSKESA-N 1 0 321.377 2.709 20 5 DFBDRO CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1CC ZINC000599367811 398964355 /nfs/dbraw/zinc/96/43/55/398964355.db2.gz NBMOMYNPZDOXDG-CQSZACIVSA-N 1 0 307.394 2.607 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000613389194 398969086 /nfs/dbraw/zinc/96/90/86/398969086.db2.gz KQBSZLPBMGCVHW-CJNGLKHVSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000056503234 398975837 /nfs/dbraw/zinc/97/58/37/398975837.db2.gz OBDVIDQVFOYWIP-QWHCGFSZSA-N 1 0 320.393 2.837 20 5 DFBDRO COc1cc(C[NH2+]CC2(SC)CCC2)c([N+](=O)[O-])cc1O ZINC000193643005 201094056 /nfs/dbraw/zinc/09/40/56/201094056.db2.gz HDFZKECQARIQDZ-UHFFFAOYSA-N 1 0 312.391 2.684 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000281490000 216337817 /nfs/dbraw/zinc/33/78/17/216337817.db2.gz UBCCAGKJICLTJC-UHFFFAOYSA-N 1 0 318.377 2.595 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000194832918 201296703 /nfs/dbraw/zinc/29/67/03/201296703.db2.gz OMGVBZQBFKUSRS-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 ZINC000271845528 209262663 /nfs/dbraw/zinc/26/26/63/209262663.db2.gz HOQRLZGNVZYKGA-ARFHVFGLSA-N 1 0 318.373 2.521 20 5 DFBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000474777373 299338804 /nfs/dbraw/zinc/33/88/04/299338804.db2.gz VGZXWGGDTCHOQG-LBPRGKRZSA-N 1 0 323.393 2.832 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417842047 296056959 /nfs/dbraw/zinc/05/69/59/296056959.db2.gz GLIXMRLHVPAGGT-UKRRQHHQSA-N 1 0 322.409 2.863 20 5 DFBDRO C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000275526588 212394313 /nfs/dbraw/zinc/39/43/13/212394313.db2.gz WJHZFKPOBUTBOZ-PHIMTYICSA-N 1 0 309.341 2.650 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000275495046 212372354 /nfs/dbraw/zinc/37/23/54/212372354.db2.gz BYXMKILTJTVWIR-LSDHHAIUSA-N 1 0 318.377 2.652 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000475361859 299346747 /nfs/dbraw/zinc/34/67/47/299346747.db2.gz LGAJRMBGMIAAJY-HIINFBLBSA-N 1 0 318.373 2.739 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000595638999 399014486 /nfs/dbraw/zinc/01/44/86/399014486.db2.gz QRXJUOZYJOZMEZ-OCCSQVGLSA-N 1 0 310.394 2.749 20 5 DFBDRO COCC1(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000292968250 223330665 /nfs/dbraw/zinc/33/06/65/223330665.db2.gz MABQXLUMXSXABQ-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599605874 399028217 /nfs/dbraw/zinc/02/82/17/399028217.db2.gz GDGRXAVZUCZKLF-CQSZACIVSA-N 1 0 318.377 2.618 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595678650 399030732 /nfs/dbraw/zinc/03/07/32/399030732.db2.gz SEBVXQMXZMAMKS-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312331 399031268 /nfs/dbraw/zinc/03/12/68/399031268.db2.gz FGDOUHPHTYLOTH-KGLIPLIRSA-N 1 0 319.405 2.546 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633431 399035663 /nfs/dbraw/zinc/03/56/63/399035663.db2.gz LYRSPFJCUZCOES-MACDAGOESA-N 1 0 322.430 2.950 20 5 DFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1nc3cc([N+](=O)[O-])ccc3o1)C2 ZINC000595689619 399036047 /nfs/dbraw/zinc/03/60/47/399036047.db2.gz SPTNXVNZSOLQNS-IYBDPMFKSA-N 1 0 317.345 2.594 20 5 DFBDRO Cc1noc([C@@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000091832516 193113764 /nfs/dbraw/zinc/11/37/64/193113764.db2.gz XOCWVFRUOLELBH-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000091986248 193137124 /nfs/dbraw/zinc/13/71/24/193137124.db2.gz IBXPEAADNAJXNT-LBPRGKRZSA-N 1 0 308.378 2.959 20 5 DFBDRO C[C@]12CCCC[C@H]1C[N@@H+]2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000599675589 399056335 /nfs/dbraw/zinc/05/63/35/399056335.db2.gz SESOEFBLWFUXOP-QRTARXTBSA-N 1 0 320.389 2.599 20 5 DFBDRO COC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271797008 209224020 /nfs/dbraw/zinc/22/40/20/209224020.db2.gz LMHQEHNSGKFPAD-DLBZAZTESA-N 1 0 316.357 2.606 20 5 DFBDRO COc1coc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1=O ZINC000271793826 209221729 /nfs/dbraw/zinc/22/17/29/209221729.db2.gz NVWJYKLUVJEFIA-NSHDSACASA-N 1 0 318.329 2.716 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600469372 399058911 /nfs/dbraw/zinc/05/89/11/399058911.db2.gz AIMOSKGLASYTPY-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000600471218 399059011 /nfs/dbraw/zinc/05/90/11/399059011.db2.gz JVVPVWXIZRWDSN-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287002496 283989324 /nfs/dbraw/zinc/98/93/24/283989324.db2.gz PUMBKGBUPPHDDW-WFASDCNBSA-N 1 0 318.377 2.685 20 5 DFBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000595777840 399081592 /nfs/dbraw/zinc/08/15/92/399081592.db2.gz KOORNUOQAOLYOT-OLZOCXBDSA-N 1 0 322.409 2.507 20 5 DFBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000595777030 399081881 /nfs/dbraw/zinc/08/18/81/399081881.db2.gz FFCSDXPHYUHCSC-KBPBESRZSA-N 1 0 322.409 2.507 20 5 DFBDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000595777839 399081942 /nfs/dbraw/zinc/08/19/42/399081942.db2.gz KOORNUOQAOLYOT-CHWSQXEVSA-N 1 0 322.409 2.507 20 5 DFBDRO C[N@H+](CCOc1ccccc1)CCOc1cccc([N+](=O)[O-])c1 ZINC000058563582 399086675 /nfs/dbraw/zinc/08/66/75/399086675.db2.gz DPMVROIFDGCOGQ-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO COc1cccc([C@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000058733232 399093327 /nfs/dbraw/zinc/09/33/27/399093327.db2.gz PADGXPZDYNWLIC-HNNXBMFYSA-N 1 0 316.361 2.713 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419376461 296137655 /nfs/dbraw/zinc/13/76/55/296137655.db2.gz TUKRYZJTNHUHIN-RWMBFGLXSA-N 1 0 305.378 2.818 20 5 DFBDRO C[C@H]1CCC[C@@](CNC(=O)c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000059890486 399113557 /nfs/dbraw/zinc/11/35/57/399113557.db2.gz SFECDMOWCJMKGI-SUMWQHHRSA-N 1 0 319.405 2.835 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCc1cc([N+](=O)[O-])ccc1OC ZINC000595874589 399118632 /nfs/dbraw/zinc/11/86/32/399118632.db2.gz UZUZMWPWCAUMEU-UHFFFAOYSA-N 1 0 309.410 2.813 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])Cc1cccc2c1CC[NH2+]C2 ZINC000595889848 399123973 /nfs/dbraw/zinc/12/39/73/399123973.db2.gz CWJFMYDEVUNSQO-UHFFFAOYSA-N 1 0 311.385 2.873 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479670 193256541 /nfs/dbraw/zinc/25/65/41/193256541.db2.gz FACNGIDUFRPIOA-BZVIRDKQSA-N 1 0 302.374 2.701 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1[N+](=O)[O-] ZINC000093690945 193290259 /nfs/dbraw/zinc/29/02/59/193290259.db2.gz LVKTZBQNDSIVKG-INIZCTEOSA-N 1 0 313.357 2.952 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600725302 399125707 /nfs/dbraw/zinc/12/57/07/399125707.db2.gz ISSMOKNGXCRGQV-NEPJUHHUSA-N 1 0 317.311 2.554 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600723603 399125770 /nfs/dbraw/zinc/12/57/70/399125770.db2.gz CKWBRILZTBTHFE-YPMHNXCESA-N 1 0 317.311 2.554 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)c1 ZINC000094001785 193337500 /nfs/dbraw/zinc/33/75/00/193337500.db2.gz PGARLAJFZZPETC-MNOVXSKESA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000060396397 399128237 /nfs/dbraw/zinc/12/82/37/399128237.db2.gz NRIOLNFYPSEYCG-LLVKDONJSA-N 1 0 311.407 2.508 20 5 DFBDRO O=C(NCCC[NH2+]C1CCCCC1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000419928733 296151704 /nfs/dbraw/zinc/15/17/04/296151704.db2.gz YSGZUYUYDNBDKC-UHFFFAOYSA-N 1 0 323.368 2.776 20 5 DFBDRO COCC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595910527 399132247 /nfs/dbraw/zinc/13/22/47/399132247.db2.gz JIMCRSSBDSDENF-UHFFFAOYSA-N 1 0 308.378 2.913 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2cc(C)nc3c2cccc3[N+](=O)[O-])C1 ZINC000420117762 296158839 /nfs/dbraw/zinc/15/88/39/296158839.db2.gz HOFQFQMEZDEEFM-CYBMUJFWSA-N 1 0 314.389 2.887 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000600746343 399133876 /nfs/dbraw/zinc/13/38/76/399133876.db2.gz RRTMEYBCJNDHGM-MCIONIFRSA-N 1 0 317.389 2.949 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000595911816 399133866 /nfs/dbraw/zinc/13/38/66/399133866.db2.gz YZLFFSUBCCSJOB-GFCCVEGCSA-N 1 0 305.378 2.820 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000420132155 296159315 /nfs/dbraw/zinc/15/93/15/296159315.db2.gz AJMKLBWSEMCFAO-UHFFFAOYSA-N 1 0 303.284 2.802 20 5 DFBDRO C[NH2+][C@@H]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420170080 296160416 /nfs/dbraw/zinc/16/04/16/296160416.db2.gz RCJXBUWBPLCHOS-SECBINFHSA-N 1 0 303.284 2.720 20 5 DFBDRO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420165968 296160073 /nfs/dbraw/zinc/16/00/73/296160073.db2.gz HUXJGIGDNTVVIU-SNVBAGLBSA-N 1 0 301.293 2.514 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[C@@H]1[NH3+] ZINC000420186253 296161258 /nfs/dbraw/zinc/16/12/58/296161258.db2.gz LXLNYUHLGYPKBV-MFKMUULPSA-N 1 0 318.402 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)c(OC(F)F)c1 ZINC000420186975 296161270 /nfs/dbraw/zinc/16/12/70/296161270.db2.gz LLTOUFNLXQNTKL-SECBINFHSA-N 1 0 301.293 2.608 20 5 DFBDRO CC[NH2+]CC1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000420205328 296162156 /nfs/dbraw/zinc/16/21/56/296162156.db2.gz IVKJKIRTLDWYKB-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO CC(C)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000420214091 296162639 /nfs/dbraw/zinc/16/26/39/296162639.db2.gz JSQQVDKCJBHANS-AWEZNQCLSA-N 1 0 301.350 2.620 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420231703 296164045 /nfs/dbraw/zinc/16/40/45/296164045.db2.gz KPDVKZPEFZHYRC-AWEZNQCLSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000420226319 296163664 /nfs/dbraw/zinc/16/36/64/296163664.db2.gz ZTGOXSDITFAIAE-VIFPVBQESA-N 1 0 315.320 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(CC[NH2+]C3)C2)nc1-c1ccccc1 ZINC000420233277 296164402 /nfs/dbraw/zinc/16/44/02/296164402.db2.gz WAJDXZVULIBPMN-GOSISDBHSA-N 1 0 324.384 2.847 20 5 DFBDRO CC1(C)CCC[NH2+][C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000420242820 296165088 /nfs/dbraw/zinc/16/50/88/296165088.db2.gz NFNHMFAXYLILMQ-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NCc1ccc3c(c1)C[NH2+]C3)CCN2 ZINC000420244979 296165392 /nfs/dbraw/zinc/16/53/92/296165392.db2.gz ZKISLAHQXFHOQO-UHFFFAOYSA-N 1 0 310.357 2.778 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000420250485 296165642 /nfs/dbraw/zinc/16/56/42/296165642.db2.gz ZTORPZBPVVJSMQ-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)nc1-c1ccccc1 ZINC000420253544 296165812 /nfs/dbraw/zinc/16/58/12/296165812.db2.gz DWHKPLZTDKVZOU-HUUCEWRRSA-N 1 0 324.384 2.703 20 5 DFBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264608805 204026426 /nfs/dbraw/zinc/02/64/26/204026426.db2.gz OZPMSZRNYSCCHA-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc(-c2ccc(CN3CC[NH2+]CC3)cc2)cc1[N+](=O)[O-] ZINC000600788852 399146942 /nfs/dbraw/zinc/14/69/42/399146942.db2.gz ABHRKXQLEBWENW-UHFFFAOYSA-N 1 0 311.385 2.975 20 5 DFBDRO O=[N+]([O-])c1ccc(CCO)c(-c2cccc([C@H]3CC[NH2+]C3)c2)c1 ZINC000600791747 399149642 /nfs/dbraw/zinc/14/96/42/399149642.db2.gz GQRZHHDAZNLIHY-INIZCTEOSA-N 1 0 312.369 2.874 20 5 DFBDRO C[C@@H]([NH3+])Cc1ccc(-c2cc([N+](=O)[O-])ccc2CCO)cc1 ZINC000600794918 399150699 /nfs/dbraw/zinc/15/06/99/399150699.db2.gz UUZOQTRJSGKCGQ-GFCCVEGCSA-N 1 0 300.358 2.686 20 5 DFBDRO Cc1ccc(C[C@@H](C[NH3+])CO)cc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000600791557 399148840 /nfs/dbraw/zinc/14/88/40/399148840.db2.gz RSEQIXKXQZCMJQ-HNNXBMFYSA-N 1 0 314.385 2.988 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)c1nc2sccn2c1[N+](=O)[O-] ZINC000420258906 296166545 /nfs/dbraw/zinc/16/65/45/296166545.db2.gz YCORZAHLTWLKGH-UHFFFAOYSA-N 1 0 323.422 2.649 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420274058 296168122 /nfs/dbraw/zinc/16/81/22/296168122.db2.gz JMQDQOIUBQRUDE-DTWKUNHWSA-N 1 0 301.293 2.736 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC000420272773 296168200 /nfs/dbraw/zinc/16/82/00/296168200.db2.gz ITKDCSBHRKSXFC-HNNXBMFYSA-N 1 0 300.362 2.973 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420268934 296167648 /nfs/dbraw/zinc/16/76/48/296167648.db2.gz AVIQLXSAXUEWJM-RYUDHWBXSA-N 1 0 321.377 2.701 20 5 DFBDRO C[N@H+](CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000600817951 399154665 /nfs/dbraw/zinc/15/46/65/399154665.db2.gz VKYOIBUHIPHTAN-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc(N2CC[C@@H](C)[C@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420277952 296168331 /nfs/dbraw/zinc/16/83/31/296168331.db2.gz ISBVZYZQTUKZTA-DGCLKSJQSA-N 1 0 314.389 2.873 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420276595 296168491 /nfs/dbraw/zinc/16/84/91/296168491.db2.gz PHBLPDJYPRHYBL-KGLIPLIRSA-N 1 0 317.389 2.623 20 5 DFBDRO CCOc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420283083 296169222 /nfs/dbraw/zinc/16/92/22/296169222.db2.gz XEWSMKHDTGIHOU-UONOGXRCSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@@H]1CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C[C@H]1[NH3+] ZINC000420289802 296169855 /nfs/dbraw/zinc/16/98/55/296169855.db2.gz ZZAXHINLXYXEGI-BXKDBHETSA-N 1 0 304.375 2.502 20 5 DFBDRO CCOc1cccc(NC[C@H]2CCNCC2(F)F)c1[N+](=O)[O-] ZINC000420290595 296169972 /nfs/dbraw/zinc/16/99/72/296169972.db2.gz UQNWQXLRUCQSBB-SNVBAGLBSA-N 1 0 315.320 2.650 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000080555648 399158004 /nfs/dbraw/zinc/15/80/04/399158004.db2.gz WBRBMSPPRKEIRV-OKILXGFUSA-N 1 0 307.394 2.814 20 5 DFBDRO C[N@H+](CCCNc1cc[nH]c(=O)c1[N+](=O)[O-])Cc1ccccc1 ZINC000596062461 399159797 /nfs/dbraw/zinc/15/97/97/399159797.db2.gz PHCXBFBEWHFXAS-UHFFFAOYSA-N 1 0 316.361 2.629 20 5 DFBDRO O=C(CC[NH2+]CCCc1ccco1)Nc1ccccc1[N+](=O)[O-] ZINC000596066781 399161351 /nfs/dbraw/zinc/16/13/51/399161351.db2.gz QRDHPFGVIATDQY-UHFFFAOYSA-N 1 0 317.345 2.739 20 5 DFBDRO Cc1cc(N2CCC(C[N@@H+](C)C(C)C)CC2)ncc1[N+](=O)[O-] ZINC000080599113 399161489 /nfs/dbraw/zinc/16/14/89/399161489.db2.gz ONRBUVQOCBUKHO-UHFFFAOYSA-N 1 0 306.410 2.855 20 5 DFBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)[NH+]1CCCC1 ZINC000596069391 399162235 /nfs/dbraw/zinc/16/22/35/399162235.db2.gz FUBIMKIIRYIMMY-ZDUSSCGKSA-N 1 0 310.373 2.848 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596070784 399162252 /nfs/dbraw/zinc/16/22/52/399162252.db2.gz SCJOOVVIQZXYCY-LBPRGKRZSA-N 1 0 310.398 2.864 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)cc1C(F)(F)F ZINC000080607001 399162863 /nfs/dbraw/zinc/16/28/63/399162863.db2.gz DCOPELQDZCAHNN-UHFFFAOYSA-N 1 0 315.295 2.898 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341886083 284282609 /nfs/dbraw/zinc/28/26/09/284282609.db2.gz MZDREBZUTOYEAU-LBPRGKRZSA-N 1 0 316.361 2.677 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[N@@H+]1C ZINC000600893923 399167688 /nfs/dbraw/zinc/16/76/88/399167688.db2.gz CUYGGVHVVKRJKN-GXTWGEPZSA-N 1 0 305.378 2.880 20 5 DFBDRO CCN(C)C(=O)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295833468 284305689 /nfs/dbraw/zinc/30/56/89/284305689.db2.gz ABZPLLUTHZIWMX-WFASDCNBSA-N 1 0 307.394 2.748 20 5 DFBDRO C[NH2+]C[C@@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000596108795 399176278 /nfs/dbraw/zinc/17/62/78/399176278.db2.gz YKHQMOIXYBPRKX-LLVKDONJSA-N 1 0 319.361 2.561 20 5 DFBDRO COc1cc(N(C)C[C@@H]2CC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596113296 399178365 /nfs/dbraw/zinc/17/83/65/399178365.db2.gz TYVGOSAEZIKRRY-SNVBAGLBSA-N 1 0 313.785 2.645 20 5 DFBDRO COc1ccc(C[N@@H+]2CCOCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000614222885 399179402 /nfs/dbraw/zinc/17/94/02/399179402.db2.gz NYCCHAZNYUKSLG-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420400530 296186555 /nfs/dbraw/zinc/18/65/55/296186555.db2.gz IPCCJGFIMRNHAL-ZFWWWQNUSA-N 1 0 321.421 2.799 20 5 DFBDRO Cc1ccc(-c2ccc3c(c2)CC[C@@]([NH3+])(CO)C3)cc1[N+](=O)[O-] ZINC000600946703 399184593 /nfs/dbraw/zinc/18/45/93/399184593.db2.gz RHBAONKYQMBEGJ-SFHVURJKSA-N 1 0 312.369 2.749 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[NH2+]C13CCC3)CCCC2 ZINC000600950204 399184654 /nfs/dbraw/zinc/18/46/54/399184654.db2.gz AOELWIWLMIHDBE-AWEZNQCLSA-N 1 0 302.378 2.565 20 5 DFBDRO [NH3+]C1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000600952421 399185147 /nfs/dbraw/zinc/18/51/47/399185147.db2.gz OCYWSZCBQZHJPS-UHFFFAOYSA-N 1 0 320.176 2.821 20 5 DFBDRO C[C@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000600963264 399188316 /nfs/dbraw/zinc/18/83/16/399188316.db2.gz TXUWWPLBFHNHJE-GWCFXTLKSA-N 1 0 316.336 2.722 20 5 DFBDRO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C[NH2+]1 ZINC000600955848 399186746 /nfs/dbraw/zinc/18/67/46/399186746.db2.gz SGEHGORTWIGIGL-WPRPVWTQSA-N 1 0 301.293 2.749 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000600958596 399187392 /nfs/dbraw/zinc/18/73/92/399187392.db2.gz IRAZIVFQYRVMSI-GFCCVEGCSA-N 1 0 300.362 2.851 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@@H]1CC[NH2+]C12CCC2 ZINC000600966546 399190563 /nfs/dbraw/zinc/19/05/63/399190563.db2.gz QCQRPHBVVYYGTD-GFCCVEGCSA-N 1 0 324.768 2.654 20 5 DFBDRO COc1cc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596156618 399194601 /nfs/dbraw/zinc/19/46/01/399194601.db2.gz LZXVZOJGNCIXQB-TVQRCGJNSA-N 1 0 313.785 2.643 20 5 DFBDRO Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000198229915 399192442 /nfs/dbraw/zinc/19/24/42/399192442.db2.gz FLKRNFRYACOHBU-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@@H](CCO)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000266188590 205169242 /nfs/dbraw/zinc/16/92/42/205169242.db2.gz XOQXHOZQQYSYOU-NSHDSACASA-N 1 0 321.402 2.826 20 5 DFBDRO Cc1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000198375801 399194387 /nfs/dbraw/zinc/19/43/87/399194387.db2.gz KCSHIAFUHGPPOK-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CC(C)CC[NH+]1CCC(CNc2cc[nH]c(=O)c2[N+](=O)[O-])CC1 ZINC000596158328 399195538 /nfs/dbraw/zinc/19/55/38/399195538.db2.gz COAUXKZYVGMVJB-UHFFFAOYSA-N 1 0 322.409 2.865 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000420628575 296193785 /nfs/dbraw/zinc/19/37/85/296193785.db2.gz BCVTXISUKIHUNL-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274672788 211819054 /nfs/dbraw/zinc/81/90/54/211819054.db2.gz LWPKVGGEBLWPBD-LSDHHAIUSA-N 1 0 307.419 2.611 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000063703253 399202677 /nfs/dbraw/zinc/20/26/77/399202677.db2.gz DEDKXYVUXDWXBW-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@H](C(=O)NCCc1ccccc1[N+](=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000266456610 205360737 /nfs/dbraw/zinc/36/07/37/205360737.db2.gz FKNREVNMHVBWAT-HZSPNIEDSA-N 1 0 319.405 2.515 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000016518966 182048245 /nfs/dbraw/zinc/04/82/45/182048245.db2.gz NVUMJLRGONVXSQ-QWRGUYRKSA-N 1 0 309.366 2.565 20 5 DFBDRO O=C1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C2(CCC2)N1 ZINC000282978107 217363757 /nfs/dbraw/zinc/36/37/57/217363757.db2.gz ZLZBOPWDOUGALF-CYBMUJFWSA-N 1 0 323.780 2.539 20 5 DFBDRO CC[C@H](C(=O)N(C)CCc1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000288518113 220196154 /nfs/dbraw/zinc/19/61/54/220196154.db2.gz XLDLGEQIWAKRPX-OAHLLOKOSA-N 1 0 321.421 2.716 20 5 DFBDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000064381773 399222356 /nfs/dbraw/zinc/22/23/56/399222356.db2.gz JPRFJDZMKKJFGV-UHFFFAOYSA-N 1 0 319.405 2.787 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000601104797 399228118 /nfs/dbraw/zinc/22/81/18/399228118.db2.gz HELIQTWLBLNNLO-CHWSQXEVSA-N 1 0 312.373 2.604 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccsc1 ZINC000601103441 399228188 /nfs/dbraw/zinc/22/81/88/399228188.db2.gz WPRBLLJTCYCPGN-LBPRGKRZSA-N 1 0 310.354 2.905 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105696 399228602 /nfs/dbraw/zinc/22/86/02/399228602.db2.gz MIMXXRYVJLMRNG-BZPMIXESSA-N 1 0 322.384 2.971 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346621 205999879 /nfs/dbraw/zinc/99/98/79/205999879.db2.gz LBEAUKVAQIQMFQ-OLZOCXBDSA-N 1 0 323.780 2.605 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000601111484 399230387 /nfs/dbraw/zinc/23/03/87/399230387.db2.gz TXBUWOSIRNDBTE-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@@H](Nc1ccnc2ccc([N+](=O)[O-])cc21)C1CC[NH+](C)CC1 ZINC000601117044 399232138 /nfs/dbraw/zinc/23/21/38/399232138.db2.gz WIKWQOLXVULXES-GFCCVEGCSA-N 1 0 314.389 2.707 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601123371 399233361 /nfs/dbraw/zinc/23/33/61/399233361.db2.gz AXTIXVXTLGEBKP-VXGBXAGGSA-N 1 0 323.368 2.727 20 5 DFBDRO CC(C)(CCCO)CNc1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601136518 399238285 /nfs/dbraw/zinc/23/82/85/399238285.db2.gz GWXXERMZRMGIFZ-UHFFFAOYSA-N 1 0 303.362 2.776 20 5 DFBDRO C[C@@H]1CN(c2ccnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000601136702 399238304 /nfs/dbraw/zinc/23/83/04/399238304.db2.gz JVHWKZMWGBQEMM-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+]([C@H]3CCc4ccccc43)CC2)cn1 ZINC000614493504 399240040 /nfs/dbraw/zinc/24/00/40/399240040.db2.gz TWSNXVDUAQDKDU-KRWDZBQOSA-N 1 0 324.384 2.799 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000343055401 284462292 /nfs/dbraw/zinc/46/22/92/284462292.db2.gz SBLWASMOZRHYLL-UHFFFAOYSA-N 1 0 307.394 2.571 20 5 DFBDRO Cc1sccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149633 399241579 /nfs/dbraw/zinc/24/15/79/399241579.db2.gz PESAAHZQUAGOKQ-HNNXBMFYSA-N 1 0 306.387 2.962 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178079123 284477517 /nfs/dbraw/zinc/47/75/17/284477517.db2.gz RMWDBAULMZAVOJ-ZDUSSCGKSA-N 1 0 307.394 2.894 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H](CCO)CC3)nc2c1 ZINC000421020358 296226746 /nfs/dbraw/zinc/22/67/46/296226746.db2.gz QZMUMFPXWFPVFA-LBPRGKRZSA-N 1 0 319.361 2.721 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000601227112 399259260 /nfs/dbraw/zinc/25/92/60/399259260.db2.gz RCCHAQXAKVJJPO-UHFFFAOYSA-N 1 0 316.365 2.505 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000614711715 399261735 /nfs/dbraw/zinc/26/17/35/399261735.db2.gz NIOAIUIFNQEPBF-ZIAGYGMSSA-N 1 0 319.405 2.733 20 5 DFBDRO CN(CCC[NH+](C)C)c1ccc(Br)cc1[N+](=O)[O-] ZINC000035246512 182764596 /nfs/dbraw/zinc/76/45/96/182764596.db2.gz OHMKYRFNERMHSZ-UHFFFAOYSA-N 1 0 316.199 2.745 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000601281667 399269554 /nfs/dbraw/zinc/26/95/54/399269554.db2.gz SGZPCCDXZYRJMG-VHDGCEQUSA-N 1 0 319.405 2.811 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267846584 206302563 /nfs/dbraw/zinc/30/25/63/206302563.db2.gz MPRDJVOHJKHDRT-CHWSQXEVSA-N 1 0 322.409 2.604 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291246 399271115 /nfs/dbraw/zinc/27/11/15/399271115.db2.gz INHBCMIXCZFJET-UGQVUOCMSA-N 1 0 304.390 2.667 20 5 DFBDRO Cc1ccnc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000267908989 206330102 /nfs/dbraw/zinc/33/01/02/206330102.db2.gz FIWDCGYBVCIJCJ-ZIAGYGMSSA-N 1 0 322.409 2.600 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H](O)C(F)F)CCCC2 ZINC000601298482 399272642 /nfs/dbraw/zinc/27/26/42/399272642.db2.gz ISYMBLKCFUZXLM-KBPBESRZSA-N 1 0 314.332 2.968 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421404705 296253004 /nfs/dbraw/zinc/25/30/04/296253004.db2.gz PYJKKAZPDTVIIT-ZIAGYGMSSA-N 1 0 322.405 2.700 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000421435855 296255124 /nfs/dbraw/zinc/25/51/24/296255124.db2.gz QCQVENXREBENGU-HUUCEWRRSA-N 1 0 317.389 2.568 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000421486674 296259529 /nfs/dbraw/zinc/25/95/29/296259529.db2.gz YNBNYCATKQMQNM-INIZCTEOSA-N 1 0 319.405 2.624 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000421513437 296261976 /nfs/dbraw/zinc/26/19/76/296261976.db2.gz FFSNHNMCDARMFQ-ZFWWWQNUSA-N 1 0 319.405 2.670 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000615038889 399294052 /nfs/dbraw/zinc/29/40/52/399294052.db2.gz SBDANIDJNHVHDB-GFCCVEGCSA-N 1 0 320.393 2.755 20 5 DFBDRO CC(C)(CNC(=O)Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000041298068 183184073 /nfs/dbraw/zinc/18/40/73/183184073.db2.gz YMAIQSKLSYAXAC-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000601562553 399300855 /nfs/dbraw/zinc/30/08/55/399300855.db2.gz DRXKBXVKMFLRES-CYBMUJFWSA-N 1 0 320.393 2.803 20 5 DFBDRO O=[N+]([O-])c1sccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000609192698 399308168 /nfs/dbraw/zinc/30/81/68/399308168.db2.gz FKTYEPJUOHRUIH-UHFFFAOYSA-N 1 0 311.407 2.713 20 5 DFBDRO CC[NH+](CC)CCNc1ncc(Br)cc1[N+](=O)[O-] ZINC000042371363 183260733 /nfs/dbraw/zinc/26/07/33/183260733.db2.gz CDESPDBDFSHTRR-UHFFFAOYSA-N 1 0 317.187 2.506 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601654679 399314846 /nfs/dbraw/zinc/31/48/46/399314846.db2.gz HGIPYBOQRYVWMG-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO C[NH+](C)CCCNc1ccc([N+](=O)[O-])cc1Br ZINC000043596464 183374442 /nfs/dbraw/zinc/37/44/42/183374442.db2.gz GSXHAIHSDJJLGY-UHFFFAOYSA-N 1 0 302.172 2.721 20 5 DFBDRO COc1ccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000051854317 425883516 /nfs/dbraw/zinc/88/35/16/425883516.db2.gz PAOFDXAQEIIYJH-ZDUSSCGKSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000609839775 399333052 /nfs/dbraw/zinc/33/30/52/399333052.db2.gz PMJCVLXKWYKRHW-LBPRGKRZSA-N 1 0 306.366 2.591 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000609833545 399333094 /nfs/dbraw/zinc/33/30/94/399333094.db2.gz MSKQTVHLKDJMCW-LLVKDONJSA-N 1 0 311.407 2.569 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000609876639 399334876 /nfs/dbraw/zinc/33/48/76/399334876.db2.gz DGXAFGZSUUXJHA-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609878231 399334903 /nfs/dbraw/zinc/33/49/03/399334903.db2.gz TZCJKVFDKDALDG-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601791724 399337269 /nfs/dbraw/zinc/33/72/69/399337269.db2.gz OROOLEMIAHYRDM-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CON1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000421875585 296278300 /nfs/dbraw/zinc/27/83/00/296278300.db2.gz KCMQFUUAXJGGER-MRXNPFEDSA-N 1 0 319.405 2.531 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000601792250 399337837 /nfs/dbraw/zinc/33/78/37/399337837.db2.gz TVJIVEHPTSDTHZ-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCOC1 ZINC000274046398 211304555 /nfs/dbraw/zinc/30/45/55/211304555.db2.gz OXLPXMZBZWRGQD-YPMHNXCESA-N 1 0 317.345 2.764 20 5 DFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)ccc1[N+](=O)[O-] ZINC000104528551 194014093 /nfs/dbraw/zinc/01/40/93/194014093.db2.gz XYHNUGNVVYLASD-UHFFFAOYSA-N 1 0 307.394 2.563 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000619432183 399345166 /nfs/dbraw/zinc/34/51/66/399345166.db2.gz CTSGGEOINKCYDU-COSNYCCFSA-N 1 0 302.374 2.966 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000610273810 399352244 /nfs/dbraw/zinc/35/22/44/399352244.db2.gz NEHHLVWKLLSACK-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO O=C(CC[NH+]1CCC(F)(F)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000619515874 399356110 /nfs/dbraw/zinc/35/61/10/399356110.db2.gz DISYUGOQTUJJFT-UHFFFAOYSA-N 1 0 313.304 2.655 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)c1 ZINC000284869873 218214276 /nfs/dbraw/zinc/21/42/76/218214276.db2.gz SLRLUSZLPMXLNA-CVEARBPZSA-N 1 0 306.362 2.617 20 5 DFBDRO C[NH+](C)[C@@H](CNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000046949479 183575090 /nfs/dbraw/zinc/57/50/90/183575090.db2.gz RRNHGVJSGKSDRF-INIZCTEOSA-N 1 0 319.405 2.835 20 5 DFBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619599575 399366848 /nfs/dbraw/zinc/36/68/48/399366848.db2.gz NWFBRSVSWRTFIT-NEPJUHHUSA-N 1 0 306.362 2.892 20 5 DFBDRO Cn1cc(C[C@H]2CC[N@H+](Cc3c(F)cccc3[N+](=O)[O-])C2)cn1 ZINC000610451997 399369453 /nfs/dbraw/zinc/36/94/53/399369453.db2.gz TZLZSTCWOLPJLU-GFCCVEGCSA-N 1 0 318.352 2.532 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](C(F)F)CC1 ZINC000601973609 399372333 /nfs/dbraw/zinc/37/23/33/399372333.db2.gz RITNCSWQPUVQDW-ZDUSSCGKSA-N 1 0 300.305 2.759 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969906 399371492 /nfs/dbraw/zinc/37/14/92/399371492.db2.gz MPLMSPPYDFJNJK-WFASDCNBSA-N 1 0 305.378 2.599 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285014335 218255748 /nfs/dbraw/zinc/25/57/48/218255748.db2.gz HFTAXNRMQYMSRV-LLVKDONJSA-N 1 0 301.346 2.776 20 5 DFBDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000345822515 284765238 /nfs/dbraw/zinc/76/52/38/284765238.db2.gz VFSKSGADEGOKIK-GJZGRUSLSA-N 1 0 319.405 2.723 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)c2ccncc2)c([N+](=O)[O-])cc1O ZINC000610517689 399375992 /nfs/dbraw/zinc/37/59/92/399375992.db2.gz DXNSPAXAQHTHKN-NSHDSACASA-N 1 0 317.345 2.597 20 5 DFBDRO CC1(C)C[NH2+]CC[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000601984530 399374251 /nfs/dbraw/zinc/37/42/51/399374251.db2.gz SCSZGGDWMRIDOG-SECBINFHSA-N 1 0 321.406 2.790 20 5 DFBDRO CC[C@@H](NC(=O)CCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000610527677 399377877 /nfs/dbraw/zinc/37/78/77/399377877.db2.gz QICFMYLORVCZCE-OAHLLOKOSA-N 1 0 307.394 2.894 20 5 DFBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285045647 218269114 /nfs/dbraw/zinc/26/91/14/218269114.db2.gz IFSMSDPYYNGVSO-FZMZJTMJSA-N 1 0 313.357 2.831 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2nccn2C1 ZINC000615720670 399377604 /nfs/dbraw/zinc/37/76/04/399377604.db2.gz LFLPTCUSLBXMJE-CTXBLAANSA-N 1 0 312.373 2.799 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1[N+](=O)[O-] ZINC000106465769 194218549 /nfs/dbraw/zinc/21/85/49/194218549.db2.gz SQMQNLVQWQAYDI-AWEZNQCLSA-N 1 0 319.361 2.589 20 5 DFBDRO CO[C@H](C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000610582648 399382139 /nfs/dbraw/zinc/38/21/39/399382139.db2.gz HSRZTMOAMDJDLU-LLVKDONJSA-N 1 0 307.350 2.981 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000610587000 399384013 /nfs/dbraw/zinc/38/40/13/399384013.db2.gz IHQUVAKRDGACDV-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)nc2c1 ZINC000610683069 399392556 /nfs/dbraw/zinc/39/25/56/399392556.db2.gz MOJKWCSSYIJKGK-SMDDNHRTSA-N 1 0 317.345 2.737 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCOCC1CC1)C1CC1 ZINC000268843144 207008189 /nfs/dbraw/zinc/00/81/89/207008189.db2.gz BCTLBLKJCGTBJN-MRXNPFEDSA-N 1 0 304.390 2.932 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1c1ccccc1 ZINC000619822272 399394062 /nfs/dbraw/zinc/39/40/62/399394062.db2.gz IIDXJAXDEXJCKT-RCBQFDQVSA-N 1 0 300.362 2.573 20 5 DFBDRO CCc1ccc(C[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000610700065 399395477 /nfs/dbraw/zinc/39/54/77/399395477.db2.gz BDNBZWGCQSKFDO-UHFFFAOYSA-N 1 0 302.378 2.794 20 5 DFBDRO CC(C)[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccnn1C ZINC000615943373 399402559 /nfs/dbraw/zinc/40/25/59/399402559.db2.gz HXVKHYVSLSOABK-GFCCVEGCSA-N 1 0 308.407 2.919 20 5 DFBDRO CC[C@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000610798668 399407882 /nfs/dbraw/zinc/40/78/82/399407882.db2.gz MRBBNSQIVFWQRE-VBQJREDUSA-N 1 0 321.421 2.745 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CC1 ZINC000610803578 399407916 /nfs/dbraw/zinc/40/79/16/399407916.db2.gz LKBKMKAQZLMACH-JYJNAYRXSA-N 1 0 304.390 2.809 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610798733 399407932 /nfs/dbraw/zinc/40/79/32/399407932.db2.gz WGTXWJMZXHQBMT-ZNMIVQPWSA-N 1 0 321.421 2.663 20 5 DFBDRO CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000610815074 399409097 /nfs/dbraw/zinc/40/90/97/399409097.db2.gz KYALUXYFBKBYBO-CZUORRHYSA-N 1 0 308.378 2.689 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCOC(C)(C)C ZINC000610859724 399413048 /nfs/dbraw/zinc/41/30/48/399413048.db2.gz JZYCTBKJFUUARL-LBPRGKRZSA-N 1 0 323.393 2.669 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCCNc2ccc([N+](=O)[O-])s2)C[C@H](C)O1 ZINC000610864608 399413677 /nfs/dbraw/zinc/41/36/77/399413677.db2.gz MPNNNSAJYQLQRS-TXEJJXNPSA-N 1 0 313.423 2.958 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2CCc2ccccc2)c([N+](=O)[O-])n1 ZINC000602438509 399444095 /nfs/dbraw/zinc/44/40/95/399444095.db2.gz CMFMKNZROWPXAJ-MRXNPFEDSA-N 1 0 314.389 2.926 20 5 DFBDRO Cc1noc(CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1 ZINC000269064382 207213577 /nfs/dbraw/zinc/21/35/77/207213577.db2.gz YVZWWRWWTFTWTK-UHFFFAOYSA-N 1 0 316.361 2.883 20 5 DFBDRO COc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000611255959 399452349 /nfs/dbraw/zinc/45/23/49/399452349.db2.gz LISFYLFPNRSSJX-LLVKDONJSA-N 1 0 311.357 2.709 20 5 DFBDRO CC(C)[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC1CC1 ZINC000611257983 399452525 /nfs/dbraw/zinc/45/25/25/399452525.db2.gz VJDNEWUVKSNREL-UHFFFAOYSA-N 1 0 306.362 2.986 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)o1 ZINC000611267508 399454439 /nfs/dbraw/zinc/45/44/39/399454439.db2.gz JZKUAHDLZLIUKP-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO CC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611274833 399456302 /nfs/dbraw/zinc/45/63/02/399456302.db2.gz JQAONFGOBGLIEE-INIZCTEOSA-N 1 0 306.362 2.988 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000611293389 399459054 /nfs/dbraw/zinc/45/90/54/399459054.db2.gz XSIQXPHMCNYRIL-CEBMOZKTSA-N 1 0 318.373 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCCC3)CC2)cn1 ZINC000602505355 399462759 /nfs/dbraw/zinc/46/27/59/399462759.db2.gz JPMBNYPYNCJVBH-UHFFFAOYSA-N 1 0 304.394 2.881 20 5 DFBDRO CC(C)[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602505277 399462488 /nfs/dbraw/zinc/46/24/88/399462488.db2.gz ZBWUJSOOFFEEAT-UHFFFAOYSA-N 1 0 318.377 2.698 20 5 DFBDRO CC[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+]1CCCC1 ZINC000602509841 399464034 /nfs/dbraw/zinc/46/40/34/399464034.db2.gz UTWGPWYNOLBLCE-LBPRGKRZSA-N 1 0 318.377 2.700 20 5 DFBDRO C[C@H]1CCC[C@](CNC(=O)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000063802972 184289140 /nfs/dbraw/zinc/28/91/40/184289140.db2.gz UTXQGVKRIOLTOL-GUYCJALGSA-N 1 0 319.405 2.835 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCn1cccn1 ZINC000602518004 399466545 /nfs/dbraw/zinc/46/65/45/399466545.db2.gz JHVMFHMLMYNGCV-UHFFFAOYSA-N 1 0 314.267 2.600 20 5 DFBDRO CO[C@@H](C)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602525492 399467892 /nfs/dbraw/zinc/46/78/92/399467892.db2.gz BWSKGPVVQPLKFK-ZETCQYMHSA-N 1 0 323.212 2.933 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+]C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000602528628 399468510 /nfs/dbraw/zinc/46/85/10/399468510.db2.gz OFPIPVKNULPYNI-INIZCTEOSA-N 1 0 319.405 2.788 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000269197611 207318057 /nfs/dbraw/zinc/31/80/57/207318057.db2.gz RXAHGFNHLANZBN-CYBMUJFWSA-N 1 0 307.394 2.506 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc3ccnn3c2)cc1[N+](=O)[O-] ZINC000611404331 399471007 /nfs/dbraw/zinc/47/10/07/399471007.db2.gz ZLDPYEZQUQYABW-GFCCVEGCSA-N 1 0 311.345 2.797 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000066139926 184392433 /nfs/dbraw/zinc/39/24/33/184392433.db2.gz GDXMJUBINCNAPB-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CC=CCC3)CC2)cn1 ZINC000602551853 399474077 /nfs/dbraw/zinc/47/40/77/399474077.db2.gz KKHJJLZCZCAXOU-ZDUSSCGKSA-N 1 0 302.378 2.657 20 5 DFBDRO C[NH+](C)CCCOC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611413305 399473248 /nfs/dbraw/zinc/47/32/48/399473248.db2.gz FQKYSKKFFMSDOM-UHFFFAOYSA-N 1 0 313.423 2.593 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]Cc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000346795805 284948841 /nfs/dbraw/zinc/94/88/41/284948841.db2.gz NNEGCPGICWWEAN-JTQLQIEISA-N 1 0 302.334 2.558 20 5 DFBDRO CO[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000602558949 399475297 /nfs/dbraw/zinc/47/52/97/399475297.db2.gz QPBAUKXQAWARMC-KRWDZBQOSA-N 1 0 314.385 2.985 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501862 399483159 /nfs/dbraw/zinc/48/31/59/399483159.db2.gz JOAMGCAJSSXNIZ-BXUZGUMPSA-N 1 0 323.368 2.912 20 5 DFBDRO [NH3+]CC1(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])CCCCC1 ZINC000602603076 399488118 /nfs/dbraw/zinc/48/81/18/399488118.db2.gz PXLQZAATKKFESK-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO CC(C)(O)CC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602620907 399492444 /nfs/dbraw/zinc/49/24/44/399492444.db2.gz NIVHMWKFLFEUFO-UHFFFAOYSA-N 1 0 323.212 2.669 20 5 DFBDRO CC(C)[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccnn1C ZINC000602628613 399495475 /nfs/dbraw/zinc/49/54/75/399495475.db2.gz CHRBMBCLIRJCLB-INIZCTEOSA-N 1 0 316.405 2.900 20 5 DFBDRO CC1(C)CC(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602630525 399496756 /nfs/dbraw/zinc/49/67/56/399496756.db2.gz VRUIGIHBPXMBRD-UHFFFAOYSA-N 1 0 318.421 2.984 20 5 DFBDRO C[C@@H](O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602640879 399499809 /nfs/dbraw/zinc/49/98/09/399499809.db2.gz SGSVPSUKTQPCRE-SSDOTTSWSA-N 1 0 323.212 2.669 20 5 DFBDRO CCCN(C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CC[NH2+]C1 ZINC000422801139 296335434 /nfs/dbraw/zinc/33/54/34/296335434.db2.gz DTDGOARXTHMMJD-AWEZNQCLSA-N 1 0 319.405 2.932 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000422805761 296336072 /nfs/dbraw/zinc/33/60/72/296336072.db2.gz HJEADPVOPPYKNN-CQSZACIVSA-N 1 0 319.405 2.640 20 5 DFBDRO COc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000292952490 532959423 /nfs/dbraw/zinc/95/94/23/532959423.db2.gz CCIDIXMHBNGJTN-CYBMUJFWSA-N 1 0 305.378 2.526 20 5 DFBDRO COc1cncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1C ZINC000602658114 399505360 /nfs/dbraw/zinc/50/53/60/399505360.db2.gz JJIUPVYXMPSVBO-UHFFFAOYSA-N 1 0 315.373 2.981 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000422843633 296343301 /nfs/dbraw/zinc/34/33/01/296343301.db2.gz IZVDRLKARMATEQ-ZWNOBZJWSA-N 1 0 323.418 2.516 20 5 DFBDRO C[NH2+]C[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000347063403 285008780 /nfs/dbraw/zinc/00/87/80/285008780.db2.gz JHODNLIUHVKBOF-CYBMUJFWSA-N 1 0 315.373 2.896 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000422869115 296347656 /nfs/dbraw/zinc/34/76/56/296347656.db2.gz WDMJPNCBBYDOEF-MFKMUULPSA-N 1 0 323.418 2.564 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869823 296347700 /nfs/dbraw/zinc/34/77/00/296347700.db2.gz YDVCZGGWHFZZLT-DZGCQCFKSA-N 1 0 319.405 2.966 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869427 296347707 /nfs/dbraw/zinc/34/77/07/296347707.db2.gz WLXRQOPJYKQFQT-JSGCOSHPSA-N 1 0 305.378 2.575 20 5 DFBDRO COc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935854 296357490 /nfs/dbraw/zinc/35/74/90/296357490.db2.gz ASPRUZVHJVYPOH-CABCVRRESA-N 1 0 313.357 2.838 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc(Br)c([N+](=O)[O-])s1)[C@@H](C)O ZINC000602684349 399518970 /nfs/dbraw/zinc/51/89/70/399518970.db2.gz WMWALAANZPEYBD-HZGVNTEJSA-N 1 0 323.212 2.668 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000602695869 399524577 /nfs/dbraw/zinc/52/45/77/399524577.db2.gz PTWOWRQFHHWFMY-GFCCVEGCSA-N 1 0 307.350 2.887 20 5 DFBDRO Cc1cccc2nc(CC[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn21 ZINC000602698205 399526696 /nfs/dbraw/zinc/52/66/96/399526696.db2.gz DVOIRPFBYZFYPO-UHFFFAOYSA-N 1 0 324.384 2.926 20 5 DFBDRO C[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000602710260 399532618 /nfs/dbraw/zinc/53/26/18/399532618.db2.gz GCLQOEHXIOHFDA-GFCCVEGCSA-N 1 0 306.410 2.983 20 5 DFBDRO COc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000318594187 533040132 /nfs/dbraw/zinc/04/01/32/533040132.db2.gz IURFIGVCUTWASP-WDEREUQCSA-N 1 0 309.341 2.781 20 5 DFBDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000347610775 285091425 /nfs/dbraw/zinc/09/14/25/285091425.db2.gz ZMKLJXHQZBODIY-UONOGXRCSA-N 1 0 321.421 2.903 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)C1 ZINC000602731259 399545823 /nfs/dbraw/zinc/54/58/23/399545823.db2.gz UGIWZYKAPRUKGN-LJGSYFOKSA-N 1 0 321.196 2.686 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000270320104 208392272 /nfs/dbraw/zinc/39/22/72/208392272.db2.gz XUBLCWAJOQQICL-AWEZNQCLSA-N 1 0 310.350 2.793 20 5 DFBDRO C[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCC[NH2+]1 ZINC000423043960 296371371 /nfs/dbraw/zinc/37/13/71/296371371.db2.gz QFKBXRKRYDNOBZ-SMDDNHRTSA-N 1 0 311.813 2.911 20 5 DFBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1nccs1 ZINC000159236053 197338376 /nfs/dbraw/zinc/33/83/76/197338376.db2.gz RKYQZNPQOZHVTE-UHFFFAOYSA-N 1 0 321.402 2.995 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC([C@H]3CCOC3)CC2)cc1F ZINC000366918185 285111921 /nfs/dbraw/zinc/11/19/21/285111921.db2.gz USSQHLVPYSONHE-AWEZNQCLSA-N 1 0 308.353 2.982 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287638779 285115174 /nfs/dbraw/zinc/11/51/74/285115174.db2.gz KSTZCGLXPFFKPS-ZYHUDNBSSA-N 1 0 304.268 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cc1 ZINC000289871182 285115177 /nfs/dbraw/zinc/11/51/77/285115177.db2.gz PBEIDKRUQHTUAH-ZWKOTPCHSA-N 1 0 312.369 2.851 20 5 DFBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423082735 296376294 /nfs/dbraw/zinc/37/62/94/296376294.db2.gz FVSGLVKZEJSEON-RNCFNFMXSA-N 1 0 317.311 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000066535535 285137224 /nfs/dbraw/zinc/13/72/24/285137224.db2.gz HIPPRUJOSRQCDA-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CCC2 ZINC000193023993 285144514 /nfs/dbraw/zinc/14/45/14/285144514.db2.gz VYAIXDUUYCNPAB-GUYCJALGSA-N 1 0 312.373 2.842 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000602774999 399567390 /nfs/dbraw/zinc/56/73/90/399567390.db2.gz CRYLLENVFCDAEQ-ZDUSSCGKSA-N 1 0 318.352 2.728 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCC[NH2+]C1 ZINC000423190389 296390418 /nfs/dbraw/zinc/39/04/18/296390418.db2.gz NVYJAZURGGEKDZ-CHWSQXEVSA-N 1 0 309.435 2.807 20 5 DFBDRO Cn1cc(CN(C2CC2)[C@H]2CCc3ccccc32)c([N+](=O)[O-])n1 ZINC000602790836 399574673 /nfs/dbraw/zinc/57/46/73/399574673.db2.gz LBSRKBRKFVYOTA-INIZCTEOSA-N 1 0 312.373 2.980 20 5 DFBDRO C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157550394 197196440 /nfs/dbraw/zinc/19/64/40/197196440.db2.gz WTHCZKGEWNDZPP-SNVBAGLBSA-N 1 0 310.304 2.763 20 5 DFBDRO CC[C@@H](c1ccncc1)[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000602797733 399578824 /nfs/dbraw/zinc/57/88/24/399578824.db2.gz JYJJZDWUEVCZJD-AWEZNQCLSA-N 1 0 303.366 2.578 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](CCc1nccs1)C(C)C ZINC000602800344 399579584 /nfs/dbraw/zinc/57/95/84/399579584.db2.gz LNVAFPSJLHTPQP-UHFFFAOYSA-N 1 0 323.422 2.509 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000602798795 399579624 /nfs/dbraw/zinc/57/96/24/399579624.db2.gz WGCZZLOZASPHID-NSHDSACASA-N 1 0 304.350 2.918 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000602806019 399582500 /nfs/dbraw/zinc/58/25/00/399582500.db2.gz RPFULOZKBBNOCF-LLVKDONJSA-N 1 0 306.341 2.898 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000602808647 399583692 /nfs/dbraw/zinc/58/36/92/399583692.db2.gz NIJSDXDOGUXBSP-DOMZBBRYSA-N 1 0 315.377 2.578 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@@H]1CCC[NH2+]1 ZINC000423232865 296395320 /nfs/dbraw/zinc/39/53/20/296395320.db2.gz IWQJOVULYSMCAN-OLZOCXBDSA-N 1 0 309.435 2.807 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000156419335 197111633 /nfs/dbraw/zinc/11/16/33/197111633.db2.gz XBNZOEMUKNPRIV-PWSUYJOCSA-N 1 0 323.418 2.516 20 5 DFBDRO CC[NH+](CC)CCOCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000347871198 285218392 /nfs/dbraw/zinc/21/83/92/285218392.db2.gz CCKRITNRGRRFCS-UHFFFAOYSA-N 1 0 317.336 2.643 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-] ZINC000423441233 296417021 /nfs/dbraw/zinc/41/70/21/296417021.db2.gz BDGDFALQXDORMJ-VXGBXAGGSA-N 1 0 305.378 2.528 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423508645 296424047 /nfs/dbraw/zinc/42/40/47/296424047.db2.gz IXDKFNHMSMFJHC-QWRGUYRKSA-N 1 0 323.418 2.516 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000602890386 399617252 /nfs/dbraw/zinc/61/72/52/399617252.db2.gz XWMRKYJSGBHONJ-KGLIPLIRSA-N 1 0 315.377 2.975 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000271571950 209023953 /nfs/dbraw/zinc/02/39/53/209023953.db2.gz YYANUZUNNJQBSD-WBMJQRKESA-N 1 0 301.346 2.682 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000423586874 296431153 /nfs/dbraw/zinc/43/11/53/296431153.db2.gz DFMZGXZDVLHHTQ-UHFFFAOYSA-N 1 0 305.378 2.590 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271612527 209059854 /nfs/dbraw/zinc/05/98/54/209059854.db2.gz CRDQOCGKPOOYJA-CHWSQXEVSA-N 1 0 322.409 2.685 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000423610876 296433454 /nfs/dbraw/zinc/43/34/54/296433454.db2.gz MFASACLSSBLUFD-ZDUSSCGKSA-N 1 0 319.405 2.919 20 5 DFBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000289476539 221003859 /nfs/dbraw/zinc/00/38/59/221003859.db2.gz RJSXWGQEPLBIHI-MRXNPFEDSA-N 1 0 318.377 2.883 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000289518333 221035406 /nfs/dbraw/zinc/03/54/06/221035406.db2.gz VMSALANAFZMMIN-CQSZACIVSA-N 1 0 317.389 2.680 20 5 DFBDRO Cc1nccnc1CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294852333 224265078 /nfs/dbraw/zinc/26/50/78/224265078.db2.gz BKVDZIHCSYKKET-CYBMUJFWSA-N 1 0 314.389 2.847 20 5 DFBDRO CCOc1cc(C[N@H+](CCO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000617198848 399627274 /nfs/dbraw/zinc/62/72/74/399627274.db2.gz WUUKHBYNNZEPOA-UHFFFAOYSA-N 1 0 310.394 2.834 20 5 DFBDRO CCOc1cc(C[N@H+](CC)C[C@@H]2CCOC2)ccc1[N+](=O)[O-] ZINC000617196032 399627451 /nfs/dbraw/zinc/62/74/51/399627451.db2.gz AWCCPGNSVCPEPT-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO CC[C@@](C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1 ZINC000602925020 399629538 /nfs/dbraw/zinc/62/95/38/399629538.db2.gz UEXYTVXUERBPIP-OAHLLOKOSA-N 1 0 306.341 2.845 20 5 DFBDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc([N+](=O)[O-])cc4C)[C@H]1[C@H]3C2 ZINC000289674444 221146018 /nfs/dbraw/zinc/14/60/18/221146018.db2.gz NQJVAABGNXXUGE-XPYWIHLFSA-N 1 0 302.374 2.758 20 5 DFBDRO CC[C@@](C)([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000602924998 399629077 /nfs/dbraw/zinc/62/90/77/399629077.db2.gz SOCUMFSOFWBKFH-OAHLLOKOSA-N 1 0 306.341 2.845 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCc2nccnc2C)cc1[N+](=O)[O-] ZINC000294872142 224277792 /nfs/dbraw/zinc/27/77/92/224277792.db2.gz CVDJIRUJDLLISV-LBPRGKRZSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294905416 224299286 /nfs/dbraw/zinc/29/92/86/224299286.db2.gz WDLXJYAWSYUQMU-PBXWNFIWSA-N 1 0 317.389 2.785 20 5 DFBDRO O=C(NCC[N@H+]1CC=CCC1)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289784148 221225364 /nfs/dbraw/zinc/22/53/64/221225364.db2.gz SZNLQWPSNNGKLH-UHFFFAOYSA-N 1 0 324.768 2.632 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000294913910 224307526 /nfs/dbraw/zinc/30/75/26/224307526.db2.gz YFTDBPSYWSFWOM-MRXNPFEDSA-N 1 0 300.358 2.942 20 5 DFBDRO C[C@H](NC(=O)CCC(C)(C)[N+](=O)[O-])[C@@H](c1ccccc1)[NH+](C)C ZINC000294901057 224297135 /nfs/dbraw/zinc/29/71/35/224297135.db2.gz DTKMAWMPZQRUQH-BBRMVZONSA-N 1 0 321.421 2.630 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000290015124 221380399 /nfs/dbraw/zinc/38/03/99/221380399.db2.gz UTQMGHUKQFGTAW-GFCCVEGCSA-N 1 0 308.382 2.753 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)cs1 ZINC000290020752 221384894 /nfs/dbraw/zinc/38/48/94/221384894.db2.gz ZMVNAWPVDDFGMI-GOEBONIOSA-N 1 0 318.398 2.912 20 5 DFBDRO C[C@@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@@H+]1C1CC1 ZINC000612447835 399654186 /nfs/dbraw/zinc/65/41/86/399654186.db2.gz XQLBILRMXGRGCF-MNOVXSKESA-N 1 0 313.361 2.575 20 5 DFBDRO C[C@H]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C[N@@H+]1C1CC1 ZINC000612447836 399654254 /nfs/dbraw/zinc/65/42/54/399654254.db2.gz XQLBILRMXGRGCF-QWRGUYRKSA-N 1 0 313.361 2.575 20 5 DFBDRO COc1cc(CN[C@H]2CCCn3nccc32)c([N+](=O)[O-])cc1F ZINC000603030218 399661705 /nfs/dbraw/zinc/66/17/05/399661705.db2.gz SRGWVYBKNBBQKC-LBPRGKRZSA-N 1 0 320.324 2.564 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000612578177 399680134 /nfs/dbraw/zinc/68/01/34/399680134.db2.gz ASKZBEPDHFXERE-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000603212750 399711625 /nfs/dbraw/zinc/71/16/25/399711625.db2.gz AKJZFVNZPAFVQL-HZMBPMFUSA-N 1 0 303.366 2.842 20 5 DFBDRO C[C@H]([NH2+][C@@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294966145 224343342 /nfs/dbraw/zinc/34/33/42/224343342.db2.gz ZEQLDCLXSUUKQW-NHYWBVRUSA-N 1 0 301.346 2.561 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)s1 ZINC000294987844 224361536 /nfs/dbraw/zinc/36/15/36/224361536.db2.gz YTDYXCCBCGFISC-PHIMTYICSA-N 1 0 304.371 2.936 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)n1cc([C@H]([NH3+])C(C)C)nn1 ZINC000603250634 399723325 /nfs/dbraw/zinc/72/33/25/399723325.db2.gz KTSBTHQUSISQJB-XHDPSFHLSA-N 1 0 303.366 2.760 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000121737193 195336694 /nfs/dbraw/zinc/33/66/94/195336694.db2.gz DYEVGJSWQYDRPU-NSHDSACASA-N 1 0 311.332 2.795 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)cc1[N+](=O)[O-] ZINC000331306155 533568346 /nfs/dbraw/zinc/56/83/46/533568346.db2.gz ZHWLZOXTLUHSKZ-SCRDCRAPSA-N 1 0 308.378 2.585 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N(C)CCCC[NH+]1CCCCC1 ZINC000603421795 399772023 /nfs/dbraw/zinc/77/20/23/399772023.db2.gz CSPRQZIQHLMZFT-UHFFFAOYSA-N 1 0 323.441 2.822 20 5 DFBDRO COc1ccc(CN2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000603432578 399775170 /nfs/dbraw/zinc/77/51/70/399775170.db2.gz IZBYUMXJPPLGKX-OBJOEFQTSA-N 1 0 307.394 2.551 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423989008 296472502 /nfs/dbraw/zinc/47/25/02/296472502.db2.gz BAYLARUKKXGAFB-GXTWGEPZSA-N 1 0 319.405 2.775 20 5 DFBDRO C[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000617729175 399783964 /nfs/dbraw/zinc/78/39/64/399783964.db2.gz YHGUEIBVSVGNGX-CHWSQXEVSA-N 1 0 319.405 2.545 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617729034 399784501 /nfs/dbraw/zinc/78/45/01/399784501.db2.gz LDNAONBOGHIJDZ-QWHCGFSZSA-N 1 0 307.394 2.545 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@H]2C(F)F)n1 ZINC000348314277 285487639 /nfs/dbraw/zinc/48/76/39/285487639.db2.gz WGBCQBKNHBZZAH-LMLFDSFASA-N 1 0 300.309 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000366656512 131312541 /nfs/dbraw/zinc/31/25/41/131312541.db2.gz YFNAEHYGASUORK-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000603582115 399790889 /nfs/dbraw/zinc/79/08/89/399790889.db2.gz MRBFOYBJTJAPNG-CQSZACIVSA-N 1 0 312.373 2.873 20 5 DFBDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182954476 542796974 /nfs/dbraw/zinc/79/69/74/542796974.db2.gz LZSZSNWAJSTKEP-QWRGUYRKSA-N 1 0 305.378 2.608 20 5 DFBDRO CCOC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000348473003 285560085 /nfs/dbraw/zinc/56/00/85/285560085.db2.gz ZHWCXRRWYZLXOA-AWEZNQCLSA-N 1 0 306.366 2.622 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000617831913 399811187 /nfs/dbraw/zinc/81/11/87/399811187.db2.gz WGMINXBKLNMTKE-UKRRQHHQSA-N 1 0 319.405 2.687 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1 ZINC000195121518 542863714 /nfs/dbraw/zinc/86/37/14/542863714.db2.gz INOBIXAMBNLVNN-SECBINFHSA-N 1 0 305.359 2.606 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000230709963 542892568 /nfs/dbraw/zinc/89/25/68/542892568.db2.gz ADMOWJMNGBVRPJ-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO C[NH+](C)[C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000348961472 285734170 /nfs/dbraw/zinc/73/41/70/285734170.db2.gz FOAANQQRQKCLSR-HNNXBMFYSA-N 1 0 315.373 2.991 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000349208290 285805130 /nfs/dbraw/zinc/80/51/30/285805130.db2.gz KQTBRNFGWJKXDP-MEDUHNTESA-N 1 0 308.378 2.805 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000349331632 285836750 /nfs/dbraw/zinc/83/67/50/285836750.db2.gz MHCKSGDFUYEOGI-RSPDNQDQSA-N 1 0 318.295 2.901 20 5 DFBDRO CC(C)(CNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000172952690 145325234 /nfs/dbraw/zinc/32/52/34/145325234.db2.gz SQXUMKKLJKBPGP-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000172981878 145326761 /nfs/dbraw/zinc/32/67/61/145326761.db2.gz TUSYJPVULZQVGE-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173307525 145339467 /nfs/dbraw/zinc/33/94/67/145339467.db2.gz AXGUPLZTCVOXTO-NSHDSACASA-N 1 0 302.378 2.838 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000175138146 145399542 /nfs/dbraw/zinc/39/95/42/145399542.db2.gz ULYOZKCDUWKQAZ-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CC(C)[C@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185015658 145682030 /nfs/dbraw/zinc/68/20/30/145682030.db2.gz OHGDYTOSEBPFHH-QGZVFWFLSA-N 1 0 322.405 2.845 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186551855 145721774 /nfs/dbraw/zinc/72/17/74/145721774.db2.gz YUFIMQUTTIVAIP-SNVBAGLBSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227695345 146007354 /nfs/dbraw/zinc/00/73/54/146007354.db2.gz PGHWEDHOZAUXKZ-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO CC[C@@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000237005798 146035008 /nfs/dbraw/zinc/03/50/08/146035008.db2.gz IJQGPAVTMLQTRA-NSHDSACASA-N 1 0 320.345 2.724 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237567056 146046592 /nfs/dbraw/zinc/04/65/92/146046592.db2.gz XXBIHJLOUZBGEV-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245896599 146108488 /nfs/dbraw/zinc/10/84/88/146108488.db2.gz KMZJETLNBHSABF-CHWSQXEVSA-N 1 0 305.378 2.536 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245909570 146109794 /nfs/dbraw/zinc/10/97/94/146109794.db2.gz MGBMNTPUCAHKTK-YPMHNXCESA-N 1 0 305.378 2.820 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000247350048 146166286 /nfs/dbraw/zinc/16/62/86/146166286.db2.gz JQWNWHOQVPHKPW-BBRMVZONSA-N 1 0 319.405 2.706 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000261653975 146255703 /nfs/dbraw/zinc/25/57/03/146255703.db2.gz HOGDABGCNGLSPA-WEBJUUICSA-N 1 0 324.384 2.650 20 5 DFBDRO C[C@@]1(C[NH3+])CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000261728765 146266138 /nfs/dbraw/zinc/26/61/38/146266138.db2.gz CTXUMBQGLFFYSS-HNNXBMFYSA-N 1 0 319.386 2.620 20 5 DFBDRO [NH3+]CCN(CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000261795945 146277934 /nfs/dbraw/zinc/27/79/34/146277934.db2.gz QXEMQPQVZCKOAD-UHFFFAOYSA-N 1 0 313.401 2.641 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261808032 146280483 /nfs/dbraw/zinc/28/04/83/146280483.db2.gz VIAJULHDECRGEY-MRXNPFEDSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H](Nc1ccc2ncccc2c1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000261975807 146312851 /nfs/dbraw/zinc/31/28/51/146312851.db2.gz QRYNNCBPSZXNAH-NWDGAFQWSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000261991413 146317716 /nfs/dbraw/zinc/31/77/16/146317716.db2.gz TUNGAEHCVBUMGE-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@]1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262117639 146336027 /nfs/dbraw/zinc/33/60/27/146336027.db2.gz KHUBGGPLYBMSPW-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000262151697 146338711 /nfs/dbraw/zinc/33/87/11/146338711.db2.gz ZZHIBQZNOGHQFA-YWPBOTNQSA-N 1 0 324.384 2.650 20 5 DFBDRO C[C@]1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[NH2+]C1 ZINC000262552790 146370724 /nfs/dbraw/zinc/37/07/24/146370724.db2.gz SRTSBGJNHMYQCQ-LBPRGKRZSA-N 1 0 318.299 2.810 20 5 DFBDRO C[C@@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262565569 146372954 /nfs/dbraw/zinc/37/29/54/146372954.db2.gz WOLZSETYSKXYDU-BDAKNGLRSA-N 1 0 318.299 2.809 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000354351346 147004318 /nfs/dbraw/zinc/00/43/18/147004318.db2.gz CUOWQDXQWDKPRY-GHMZBOCLSA-N 1 0 312.801 2.952 20 5 DFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000354498110 147059315 /nfs/dbraw/zinc/05/93/15/147059315.db2.gz BNKYCJLXWBJBJH-UHFFFAOYSA-N 1 0 301.293 2.702 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC(C)(C)CC[NH+]1CCCCCC1 ZINC000355545634 147357723 /nfs/dbraw/zinc/35/77/23/147357723.db2.gz JSUBQOIBBBUQIA-UHFFFAOYSA-N 1 0 309.414 2.785 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000355545558 147358557 /nfs/dbraw/zinc/35/85/57/147358557.db2.gz AAVMRPHPIDMQBP-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO CCC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000356837063 147827849 /nfs/dbraw/zinc/82/78/49/147827849.db2.gz HNLJQQVCGAGZLC-CQSZACIVSA-N 1 0 303.366 2.695 20 5 DFBDRO CCCCO[C@H]1C[C@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(C)C ZINC000357927992 148178561 /nfs/dbraw/zinc/17/85/61/148178561.db2.gz JUKUTVIKKRRNSA-KBPBESRZSA-N 1 0 324.425 2.707 20 5 DFBDRO Cc1ccccc1C[C@@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000357931078 148180325 /nfs/dbraw/zinc/18/03/25/148180325.db2.gz PLRVQMVZACXDHK-INIZCTEOSA-N 1 0 314.389 2.807 20 5 DFBDRO Cc1cccc(NCC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)n1 ZINC000350248144 286021031 /nfs/dbraw/zinc/02/10/31/286021031.db2.gz LHRMMMFOXZZBAG-UHFFFAOYSA-N 1 0 304.325 2.639 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)(F)F ZINC000358358347 148340645 /nfs/dbraw/zinc/34/06/45/148340645.db2.gz RVKMTYYNDFZGMS-CMPLNLGQSA-N 1 0 320.311 2.819 20 5 DFBDRO CCOCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000343934734 286029086 /nfs/dbraw/zinc/02/90/86/286029086.db2.gz OGAJTSPTQXVHOV-UONOGXRCSA-N 1 0 324.425 2.927 20 5 DFBDRO CCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)o1 ZINC000425961433 296606428 /nfs/dbraw/zinc/60/64/28/296606428.db2.gz SSSPCZVYUZXBCA-UHFFFAOYSA-N 1 0 304.350 2.784 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000359452055 148663138 /nfs/dbraw/zinc/66/31/38/148663138.db2.gz GFYDVJJLLDQGAS-OAHLLOKOSA-N 1 0 321.421 2.762 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359949446 148796975 /nfs/dbraw/zinc/79/69/75/148796975.db2.gz LYSHRQZRIRDMKZ-INIZCTEOSA-N 1 0 322.405 2.595 20 5 DFBDRO Cc1cc(C(=O)NCC(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000360627470 148891541 /nfs/dbraw/zinc/89/15/41/148891541.db2.gz AZHBLCXWMNEHOP-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[C@@H](C)[NH+]1CCCCC1 ZINC000361059235 149019241 /nfs/dbraw/zinc/01/92/41/149019241.db2.gz RKKUJAPLZSEBRZ-GFCCVEGCSA-N 1 0 309.414 2.796 20 5 DFBDRO CC(C)(C)C[N@H+](CCCO)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361259837 149069143 /nfs/dbraw/zinc/06/91/43/149069143.db2.gz NWNWLAIASGYLHN-UHFFFAOYSA-N 1 0 320.393 2.702 20 5 DFBDRO NC(=O)c1ccc(C[N@H+](CC2CC2)CC2CCC2)c([N+](=O)[O-])c1 ZINC000361556802 149147382 /nfs/dbraw/zinc/14/73/82/149147382.db2.gz LGQQJDWOAJYTTM-UHFFFAOYSA-N 1 0 317.389 2.706 20 5 DFBDRO Cc1c(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000362740726 149355303 /nfs/dbraw/zinc/35/53/03/149355303.db2.gz KDPFWOCPJHJZCI-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000367178107 149558635 /nfs/dbraw/zinc/55/86/35/149558635.db2.gz GUIDJLOQLIBQST-NOLJZWGESA-N 1 0 317.389 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000371331256 150025657 /nfs/dbraw/zinc/02/56/57/150025657.db2.gz GFARFZCGEBRMIC-BYQDXSGLSA-N 1 0 302.374 2.966 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](C4CC4)C3)o2)cc1 ZINC000371343596 150026965 /nfs/dbraw/zinc/02/69/65/150026965.db2.gz HJDJAFAKTPDAJB-CYBMUJFWSA-N 1 0 314.345 2.877 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2nccn2C1 ZINC000371480944 150054576 /nfs/dbraw/zinc/05/45/76/150054576.db2.gz SCXISNWBTBETIX-UKRRQHHQSA-N 1 0 314.389 2.717 20 5 DFBDRO [NH2+]=C(NO)[C@@H]1CCCCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000372303803 150161434 /nfs/dbraw/zinc/16/14/34/150161434.db2.gz ZXKNBUKXSXJCPX-LBPRGKRZSA-N 1 0 312.757 2.559 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374047751 150298189 /nfs/dbraw/zinc/29/81/89/150298189.db2.gz DRBLINCHIIMSCS-AWEZNQCLSA-N 1 0 322.405 2.976 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375029361 150387499 /nfs/dbraw/zinc/38/74/99/150387499.db2.gz HFIVIPHJLRFXLW-XJKSGUPXSA-N 1 0 319.405 2.520 20 5 DFBDRO C[C@]1([NH2+]CCn2cc([N+](=O)[O-])cn2)CCCc2ccccc21 ZINC000351722484 286202917 /nfs/dbraw/zinc/20/29/17/286202917.db2.gz NUIGZXCSAIKJKS-INIZCTEOSA-N 1 0 300.362 2.633 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)c1ccccc1[N+](=O)[O-] ZINC000351806183 286222850 /nfs/dbraw/zinc/22/28/50/286222850.db2.gz JAELHQGQOCTYTM-UHFFFAOYSA-N 1 0 307.394 2.789 20 5 DFBDRO C[C@@H]1CC[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352349943 286350175 /nfs/dbraw/zinc/35/01/75/286350175.db2.gz IRCUJCNASRQMLX-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493390570 299771071 /nfs/dbraw/zinc/77/10/71/299771071.db2.gz VIPYVXNJGWCLJP-HUUCEWRRSA-N 1 0 314.389 2.829 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@]12CCCO2 ZINC000353053285 286539645 /nfs/dbraw/zinc/53/96/45/286539645.db2.gz SXVQXCNTZUIXKB-VJUNAUMWSA-N 1 0 320.389 2.972 20 5 DFBDRO CCO[C@H]1COCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000353142670 286561740 /nfs/dbraw/zinc/56/17/40/286561740.db2.gz HCAVIVUNNGGZKG-KBPBESRZSA-N 1 0 314.769 2.532 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)[C@@]12CCCO2 ZINC000353210628 286580332 /nfs/dbraw/zinc/58/03/32/286580332.db2.gz ZOAIWLYKCXLYPJ-OAGGEKHMSA-N 1 0 324.352 2.550 20 5 DFBDRO Cc1cc(N(C)CC2(O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000353297027 286604698 /nfs/dbraw/zinc/60/46/98/286604698.db2.gz ZTXCAJIBDKZYFV-UHFFFAOYSA-N 1 0 301.346 2.803 20 5 DFBDRO Cc1sc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000429498872 296747202 /nfs/dbraw/zinc/74/72/02/296747202.db2.gz UVLCRZCPHPHAIZ-SECBINFHSA-N 1 0 319.386 2.914 20 5 DFBDRO Cn1cccc1[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246275262 158083122 /nfs/dbraw/zinc/08/31/22/158083122.db2.gz MVFQLOJHWBRCKE-IAGOWNOFSA-N 1 0 315.373 2.804 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246483966 158093819 /nfs/dbraw/zinc/09/38/19/158093819.db2.gz QTLVGBDUEYUEDN-IUODEOHRSA-N 1 0 320.393 2.753 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000246950714 158108411 /nfs/dbraw/zinc/10/84/11/158108411.db2.gz LVYXRWHHYYBOIY-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1ccnc1 ZINC000247672788 158147770 /nfs/dbraw/zinc/14/77/70/158147770.db2.gz RANWCFNHQSRJHY-CZUORRHYSA-N 1 0 300.362 2.874 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000248368276 158169113 /nfs/dbraw/zinc/16/91/13/158169113.db2.gz VAAYMMHDPCGQOU-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000248556662 158183283 /nfs/dbraw/zinc/18/32/83/158183283.db2.gz BXFWIHIDFHYKGK-TZMCWYRMSA-N 1 0 320.393 2.753 20 5 DFBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000356750339 158312394 /nfs/dbraw/zinc/31/23/94/158312394.db2.gz YWEMOCFBXLTQEL-SNVBAGLBSA-N 1 0 315.320 2.727 20 5 DFBDRO Cc1ccc2nc(CNCc3ccc([N+](=O)[O-])cc3F)cn2c1 ZINC000356974284 158335885 /nfs/dbraw/zinc/33/58/85/158335885.db2.gz YVAXAEGGROBDLH-UHFFFAOYSA-N 1 0 314.320 2.980 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000358384600 158374388 /nfs/dbraw/zinc/37/43/88/158374388.db2.gz ZJBITJMHAMSJRM-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430566851 296795660 /nfs/dbraw/zinc/79/56/60/296795660.db2.gz DKTSZAONYICCJZ-BBRMVZONSA-N 1 0 321.421 2.941 20 5 DFBDRO C[C@@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000273612252 286994474 /nfs/dbraw/zinc/99/44/74/286994474.db2.gz RNLTYOMUZDZSRJ-WBMJQRKESA-N 1 0 317.389 2.646 20 5 DFBDRO C[N@H+](CCCOCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000053608006 425888332 /nfs/dbraw/zinc/88/83/32/425888332.db2.gz DLPAEMREESWFPR-UHFFFAOYSA-N 1 0 306.284 2.996 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000130575408 196092512 /nfs/dbraw/zinc/09/25/12/196092512.db2.gz LIYPHSFAMVOYCK-SECBINFHSA-N 1 0 317.187 2.682 20 5 DFBDRO C[NH+](C)[C@@H]1CCOc2c(Nc3ncc([N+](=O)[O-])cn3)cccc21 ZINC000432940759 296892213 /nfs/dbraw/zinc/89/22/13/296892213.db2.gz SQDINKDZTLTRJU-CYBMUJFWSA-N 1 0 315.333 2.514 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130990213 196130026 /nfs/dbraw/zinc/13/00/26/196130026.db2.gz FSVBKJUCJUXUOX-RRMDADRESA-N 1 0 312.435 2.615 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000131733095 196194716 /nfs/dbraw/zinc/19/47/16/196194716.db2.gz LBQUOBHONNAUEZ-OAHLLOKOSA-N 1 0 320.389 2.612 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)c1 ZINC000132211339 196234892 /nfs/dbraw/zinc/23/48/92/196234892.db2.gz JXGMSTPJJHBQTO-CABCVRRESA-N 1 0 300.362 2.717 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000132955389 196299546 /nfs/dbraw/zinc/29/95/46/196299546.db2.gz DMQJAMSDLKKHPA-NSHDSACASA-N 1 0 309.366 2.770 20 5 DFBDRO CC[C@@H](NC(=O)C[N@H+](CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000133166629 196318226 /nfs/dbraw/zinc/31/82/26/196318226.db2.gz DWZKUDPOEKSDRZ-OAHLLOKOSA-N 1 0 305.378 2.646 20 5 DFBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)C[C@@H]1c1ccccc1 ZINC000134271311 196376295 /nfs/dbraw/zinc/37/62/95/196376295.db2.gz YAQNWJAAEKMJHN-MRXNPFEDSA-N 1 0 314.389 2.917 20 5 DFBDRO Cc1nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296568531 226003541 /nfs/dbraw/zinc/00/35/41/226003541.db2.gz QGUGLEHGXMLRPE-AWEZNQCLSA-N 1 0 319.340 2.547 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000296713380 226153212 /nfs/dbraw/zinc/15/32/12/226153212.db2.gz NDWQPJVUBQSUHI-INIZCTEOSA-N 1 0 314.341 2.956 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000298139774 228377252 /nfs/dbraw/zinc/37/72/52/228377252.db2.gz DAJRIPJFAIQRSS-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000299396897 229096900 /nfs/dbraw/zinc/09/69/00/229096900.db2.gz UOLFUYDITRSBNT-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1nn(C)c(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065199 230074850 /nfs/dbraw/zinc/07/48/50/230074850.db2.gz VSJJAUAEAGJTFI-DGCLKSJQSA-N 1 0 321.425 2.702 20 5 DFBDRO Cc1cc(N(C)C[C@@H](O)C2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302087610 230089642 /nfs/dbraw/zinc/08/96/42/230089642.db2.gz OAKPTBXOXABWBW-MRXNPFEDSA-N 1 0 301.346 2.659 20 5 DFBDRO Cc1cc(NC[C@H](O)c2ccncc2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302110473 230098048 /nfs/dbraw/zinc/09/80/48/230098048.db2.gz ZKLRSSVKEKXUMW-KRWDZBQOSA-N 1 0 324.340 2.992 20 5 DFBDRO CSC[C@H](CCO)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302208595 230165099 /nfs/dbraw/zinc/16/50/99/230165099.db2.gz XTAWXSHDVFAWSX-NSHDSACASA-N 1 0 321.402 2.977 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000302361729 230225447 /nfs/dbraw/zinc/22/54/47/230225447.db2.gz FPSYPBRKBDPTJT-LLVKDONJSA-N 1 0 323.422 2.980 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000063694101 425900933 /nfs/dbraw/zinc/90/09/33/425900933.db2.gz SPZJVJFLUHPDGL-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000067661129 425912096 /nfs/dbraw/zinc/91/20/96/425912096.db2.gz MHSIWEFXJSPGCC-ZFWWWQNUSA-N 1 0 310.394 2.701 20 5 DFBDRO C[C@@H]1CCC[C@](CNC(=O)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000068116810 425916226 /nfs/dbraw/zinc/91/62/26/425916226.db2.gz UTXQGVKRIOLTOL-DYVFJYSZSA-N 1 0 319.405 2.835 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000124453702 425920339 /nfs/dbraw/zinc/92/03/39/425920339.db2.gz ZWKDHPLVZNNQNM-AWEZNQCLSA-N 1 0 319.405 2.693 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000027770806 267391674 /nfs/dbraw/zinc/39/16/74/267391674.db2.gz QYAUGUASUHAATR-MYSGNRETSA-N 1 0 317.389 2.599 20 5 DFBDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000041798192 425852594 /nfs/dbraw/zinc/85/25/94/425852594.db2.gz ZCTJMQASCBZSKI-UHFFFAOYSA-N 1 0 321.421 2.962 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCOC(F)F ZINC000193663955 268075951 /nfs/dbraw/zinc/07/59/51/268075951.db2.gz PIVUOBCOPRKXAQ-UHFFFAOYSA-N 1 0 304.293 2.712 20 5 DFBDRO CC[N@@H+]1CCC[C@H](NC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000194313343 268097718 /nfs/dbraw/zinc/09/77/18/268097718.db2.gz FULCIWMIDJIDET-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000195507185 268136072 /nfs/dbraw/zinc/13/60/72/268136072.db2.gz WCLBYWJLPJHLSI-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000269625026 268189655 /nfs/dbraw/zinc/18/96/55/268189655.db2.gz JNCZAYFEZCYDPP-LLVKDONJSA-N 1 0 311.332 2.938 20 5 DFBDRO COc1ccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000269699646 268189757 /nfs/dbraw/zinc/18/97/57/268189757.db2.gz LITYNNBCJVIDNP-KRWDZBQOSA-N 1 0 316.357 2.769 20 5 DFBDRO C[C@@H](O)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269670608 268190152 /nfs/dbraw/zinc/19/01/52/268190152.db2.gz UOTYYCURXSAAIR-CXAGYDPISA-N 1 0 322.405 2.644 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(CCC[NH+](C)C)CC2)n1 ZINC000270863314 268227937 /nfs/dbraw/zinc/22/79/37/268227937.db2.gz AFTSLQLUSPKOMS-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000308667751 268335082 /nfs/dbraw/zinc/33/50/82/268335082.db2.gz NFZHDEVBZNMSIK-UHFFFAOYSA-N 1 0 321.406 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[NH2+]C[C@@H]2c2ccccc2)cc1 ZINC000313362953 268340012 /nfs/dbraw/zinc/34/00/12/268340012.db2.gz MBGNCEYBUJKBNR-GOSISDBHSA-N 1 0 311.385 2.784 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000322919033 268349642 /nfs/dbraw/zinc/34/96/42/268349642.db2.gz LMYQRUDBLFDIST-JQPIKURYSA-N 1 0 317.389 2.632 20 5 DFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000050444813 425881804 /nfs/dbraw/zinc/88/18/04/425881804.db2.gz IRTFLYIQYZABOD-PBWFPOADSA-N 1 0 309.797 2.963 20 5 DFBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000125630865 425982838 /nfs/dbraw/zinc/98/28/38/425982838.db2.gz YKIRANMWZPSIGZ-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107634998 425997966 /nfs/dbraw/zinc/99/79/66/425997966.db2.gz FXIIMSSYGAQCNG-LBPRGKRZSA-N 1 0 323.418 2.747 20 5 DFBDRO C[C@@H](CCCC[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000336793076 268434817 /nfs/dbraw/zinc/43/48/17/268434817.db2.gz VIVRRWCTRKKXGK-QMMMGPOBSA-N 1 0 317.187 2.682 20 5 DFBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000125179564 425956985 /nfs/dbraw/zinc/95/69/85/425956985.db2.gz DZMMBPBCNIMVDC-NWDGAFQWSA-N 1 0 305.378 2.704 20 5 DFBDRO C[N@H+](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000104773274 425965129 /nfs/dbraw/zinc/96/51/29/425965129.db2.gz DJBHKFWBCSVJPS-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CC1CCC1 ZINC000111299554 426045724 /nfs/dbraw/zinc/04/57/24/426045724.db2.gz RLGUXEMTWKYZLJ-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000162108735 426052572 /nfs/dbraw/zinc/05/25/72/426052572.db2.gz QYJYOEVDSFRSMD-OAHLLOKOSA-N 1 0 320.393 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CC[C@H](CO)C3)o2)cc1 ZINC000127218637 426056295 /nfs/dbraw/zinc/05/62/95/426056295.db2.gz WWOHYYVOYVDCDO-LBPRGKRZSA-N 1 0 302.330 2.669 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000112309759 426072474 /nfs/dbraw/zinc/07/24/74/426072474.db2.gz SVQIWWWEAHLVJU-UHFFFAOYSA-N 1 0 313.785 2.710 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127389356 426064689 /nfs/dbraw/zinc/06/46/89/426064689.db2.gz AWUMJIBMPVCMCH-CQSZACIVSA-N 1 0 313.785 2.742 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000163219211 426094479 /nfs/dbraw/zinc/09/44/79/426094479.db2.gz SFOWWWSBVXPQOM-JSGCOSHPSA-N 1 0 318.377 2.604 20 5 DFBDRO CCOCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113323611 426111547 /nfs/dbraw/zinc/11/15/47/426111547.db2.gz SRNIJLDPRIJGLI-UHFFFAOYSA-N 1 0 307.375 2.844 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H]3CCOC3)cs2)c1 ZINC000113321212 426112008 /nfs/dbraw/zinc/11/20/08/426112008.db2.gz JQWZMLLEXQCPQC-NSHDSACASA-N 1 0 319.386 2.844 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000164608930 426115569 /nfs/dbraw/zinc/11/55/69/426115569.db2.gz NVXITMHGSGXKEP-FZMZJTMJSA-N 1 0 320.393 2.753 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000166441800 426127467 /nfs/dbraw/zinc/12/74/67/426127467.db2.gz STFMTPOOPPBNDW-VNHYZAJKSA-N 1 0 308.378 2.748 20 5 DFBDRO Cc1cc(N[C@@H](C)C[S@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000168071750 426134167 /nfs/dbraw/zinc/13/41/67/426134167.db2.gz TZUWZTLJWSSYPT-CHNSCGDPSA-N 1 0 307.375 2.630 20 5 DFBDRO Cc1sc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000114377644 426134219 /nfs/dbraw/zinc/13/42/19/426134219.db2.gz ITPVVHBBLIJEDA-LLVKDONJSA-N 1 0 313.423 2.671 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000075540373 426076802 /nfs/dbraw/zinc/07/68/02/426076802.db2.gz UKUHBUQQZBLPHH-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075652915 426080433 /nfs/dbraw/zinc/08/04/33/426080433.db2.gz VBXPEEMYKBOGNH-RNVIBTMRSA-N 1 0 317.389 2.599 20 5 DFBDRO COc1ccc(CN(C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000075861381 426087098 /nfs/dbraw/zinc/08/70/98/426087098.db2.gz MIDDQRLCBAMCRR-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO CC(C)SCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000338264594 268647535 /nfs/dbraw/zinc/64/75/35/268647535.db2.gz UPEUGFXQDPQDMQ-UHFFFAOYSA-N 1 0 309.435 2.858 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000170684896 426144379 /nfs/dbraw/zinc/14/43/79/426144379.db2.gz VAVCZZNHDGSCQV-LBPRGKRZSA-N 1 0 323.418 2.665 20 5 DFBDRO Cc1c(C(=O)NC2CCC(C[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000130424550 426159217 /nfs/dbraw/zinc/15/92/17/426159217.db2.gz XRBJKXROCJLZOE-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)N(C)C1CC1 ZINC000130746421 426162366 /nfs/dbraw/zinc/16/23/66/426162366.db2.gz WCVVEFKLAVLKMF-GUYCJALGSA-N 1 0 317.433 2.988 20 5 DFBDRO C[C@@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512873 426172903 /nfs/dbraw/zinc/17/29/03/426172903.db2.gz XECWPCVLEINAJY-CQSZACIVSA-N 1 0 322.405 2.989 20 5 DFBDRO CC(C)([NH2+]Cc1cc(C(N)=O)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000133422166 426176895 /nfs/dbraw/zinc/17/68/95/426176895.db2.gz NWGDUJYQUQEWES-UHFFFAOYSA-N 1 0 319.386 2.780 20 5 DFBDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000135593113 426223661 /nfs/dbraw/zinc/22/36/61/426223661.db2.gz DVPBKJGGCRONBM-OAHLLOKOSA-N 1 0 300.362 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084439836 426237470 /nfs/dbraw/zinc/23/74/70/426237470.db2.gz DDZCTYKBQDCHKC-NSHDSACASA-N 1 0 309.797 2.822 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(C)C ZINC000118833083 426247087 /nfs/dbraw/zinc/24/70/87/426247087.db2.gz FQWGHDRKAYUGCX-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1CC[NH+](C)CC1 ZINC000085635027 426253332 /nfs/dbraw/zinc/25/33/32/426253332.db2.gz NUWNLVXUZSLPTO-UHFFFAOYSA-N 1 0 320.393 2.675 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000119235421 426270977 /nfs/dbraw/zinc/27/09/77/426270977.db2.gz DYRYDKNTHBXFCG-LGWLGOQQSA-N 1 0 322.405 2.749 20 5 DFBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000117344754 426211478 /nfs/dbraw/zinc/21/14/78/426211478.db2.gz BVTPJGIXGMOMMT-GFCCVEGCSA-N 1 0 305.378 2.706 20 5 DFBDRO CC(C)[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000117334845 426212233 /nfs/dbraw/zinc/21/22/33/426212233.db2.gz NJNHSPAQWHHXQV-UHFFFAOYSA-N 1 0 319.361 2.766 20 5 DFBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000117348955 426212750 /nfs/dbraw/zinc/21/27/50/426212750.db2.gz CZSAYLHMGDWTPV-AWEZNQCLSA-N 1 0 305.378 2.704 20 5 DFBDRO CC(C)N1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000174997355 426273608 /nfs/dbraw/zinc/27/36/08/426273608.db2.gz JMKRGMYWGPVHLB-DOMZBBRYSA-N 1 0 305.378 2.645 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000080643232 426216230 /nfs/dbraw/zinc/21/62/30/426216230.db2.gz RLILVYVRQFDUCF-ZBFHGGJFSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)NC2CCCC2)cc1[N+](=O)[O-] ZINC000089591955 426297691 /nfs/dbraw/zinc/29/76/91/426297691.db2.gz CIQHYZOFACHPSZ-GFCCVEGCSA-N 1 0 305.378 2.613 20 5 DFBDRO CC[C@@H](NC(=O)NCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000175489195 426308517 /nfs/dbraw/zinc/30/85/17/426308517.db2.gz UWPFKKVJOPSCNM-OAHLLOKOSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C(N)=O)c2)cc1[N+](=O)[O-] ZINC000121229471 426327770 /nfs/dbraw/zinc/32/77/70/426327770.db2.gz MIJLXEPKRAAWCS-GFCCVEGCSA-N 1 0 313.357 2.853 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000151059709 426275359 /nfs/dbraw/zinc/27/53/59/426275359.db2.gz MMUDNKBCEJEWDH-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC)C[C@@H]1CCCO1 ZINC000175138825 426281205 /nfs/dbraw/zinc/28/12/05/426281205.db2.gz GQXKYGDZIGIIKB-HNNXBMFYSA-N 1 0 308.378 2.994 20 5 DFBDRO CC(C)CCC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000339740461 268878597 /nfs/dbraw/zinc/87/85/97/268878597.db2.gz HVMAWKHPHLQSGM-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000122803417 426396197 /nfs/dbraw/zinc/39/61/97/426396197.db2.gz KFTPFMBZVHOIOU-OAHLLOKOSA-N 1 0 318.377 2.687 20 5 DFBDRO COCC[N@H+](C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000153758601 426404216 /nfs/dbraw/zinc/40/42/16/426404216.db2.gz HYXYEBKSEDHYSQ-CQSZACIVSA-N 1 0 309.410 2.522 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000121445174 426343617 /nfs/dbraw/zinc/34/36/17/426343617.db2.gz HOBPPTAJBQJTNT-QWHCGFSZSA-N 1 0 307.394 2.859 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000152843981 426357906 /nfs/dbraw/zinc/35/79/06/426357906.db2.gz QBECFQAPXRPVMA-LLVKDONJSA-N 1 0 323.418 2.745 20 5 DFBDRO COc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)cc1 ZINC000176194914 426359513 /nfs/dbraw/zinc/35/95/13/426359513.db2.gz WFMUSCXGLPUFQN-OAHLLOKOSA-N 1 0 316.361 2.637 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+](Cc2ccc(F)cc2)CC2CC2)n1 ZINC000176246692 426363544 /nfs/dbraw/zinc/36/35/44/426363544.db2.gz WRVMLQBPCZPIJM-UHFFFAOYSA-N 1 0 318.352 2.843 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C(=O)OC)ccc2[N+](=O)[O-])C1 ZINC000122388632 426373048 /nfs/dbraw/zinc/37/30/48/426373048.db2.gz OFOMMKLHURREMA-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272461 426378249 /nfs/dbraw/zinc/37/82/49/426378249.db2.gz VVUGLXQFVLRSNQ-YOEHRIQHSA-N 1 0 321.421 2.604 20 5 DFBDRO Cc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1[N+](=O)[O-] ZINC000176916109 426424497 /nfs/dbraw/zinc/42/44/97/426424497.db2.gz ZQFJELMOLKGOLE-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000154163504 426428496 /nfs/dbraw/zinc/42/84/96/426428496.db2.gz JVEOOKPSSHNQEY-RYUDHWBXSA-N 1 0 319.405 2.715 20 5 DFBDRO CC(C)=CCC[C@@H](C)[NH2+][C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123433771 426433409 /nfs/dbraw/zinc/43/34/09/426433409.db2.gz FMGXIJCGGUATTB-XOKHGSTOSA-N 1 0 322.405 2.714 20 5 DFBDRO COCCO[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766459 269009126 /nfs/dbraw/zinc/00/91/26/269009126.db2.gz IIAIGTAUNFVLNG-KGLIPLIRSA-N 1 0 308.378 2.783 20 5 DFBDRO Cc1c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000341061955 269036896 /nfs/dbraw/zinc/03/68/96/269036896.db2.gz ATJOWLMXQQDWMC-CHWSQXEVSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000123700519 426448212 /nfs/dbraw/zinc/44/82/12/426448212.db2.gz DHDQZZFLJMATSP-QJXJPNQISA-N 1 0 317.389 2.549 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cccc(C(N)=O)c1[N+](=O)[O-] ZINC000341263498 269054776 /nfs/dbraw/zinc/05/47/76/269054776.db2.gz PFXKYLWJUDXAHP-GFCCVEGCSA-N 1 0 322.409 2.616 20 5 DFBDRO C[C@H]([NH2+]Cc1cccnc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000154793437 426454779 /nfs/dbraw/zinc/45/47/79/426454779.db2.gz NFFYNCKCHCFZMU-LBPRGKRZSA-N 1 0 300.362 2.907 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C[N@@H+]1C1CC1 ZINC000177220951 426455026 /nfs/dbraw/zinc/45/50/26/426455026.db2.gz QUTYUHUOFNJVQS-CABZTGNLSA-N 1 0 323.780 2.603 20 5 DFBDRO Cc1nc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000154922044 426459372 /nfs/dbraw/zinc/45/93/72/426459372.db2.gz GDGQBGGPXCOPTM-LBPRGKRZSA-N 1 0 304.394 2.751 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000280154353 426508380 /nfs/dbraw/zinc/50/83/80/426508380.db2.gz DXAINJXBYPDITE-HNNXBMFYSA-N 1 0 323.349 2.894 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000288415133 426520639 /nfs/dbraw/zinc/52/06/39/426520639.db2.gz NNRCADSQYDBNRR-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO CCC[N@H+](CC)CCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000288426208 426522169 /nfs/dbraw/zinc/52/21/69/426522169.db2.gz OBOCHBZUYZWUHF-UHFFFAOYSA-N 1 0 309.395 2.743 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCCC3)CCOCC2)c(F)c1 ZINC000264327997 426537152 /nfs/dbraw/zinc/53/71/52/426537152.db2.gz WKZAAEINIODTJG-UHFFFAOYSA-N 1 0 323.368 2.791 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000177496703 426490123 /nfs/dbraw/zinc/49/01/23/426490123.db2.gz CSUVFEBVZMSYAR-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194697643 426490960 /nfs/dbraw/zinc/49/09/60/426490960.db2.gz UTBFCNWBHOFMFF-SWLSCSKDSA-N 1 0 321.333 2.550 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177533770 426493623 /nfs/dbraw/zinc/49/36/23/426493623.db2.gz OGUJFHJDWOZXGB-STQMWFEESA-N 1 0 305.378 2.506 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000222623181 426583865 /nfs/dbraw/zinc/58/38/65/426583865.db2.gz SNADPZUHTUQSRR-VXGBXAGGSA-N 1 0 306.284 2.949 20 5 DFBDRO COc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000273086432 426589569 /nfs/dbraw/zinc/58/95/69/426589569.db2.gz RQUKOVUBZOHQPH-QWHCGFSZSA-N 1 0 308.378 2.898 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000265167486 426589631 /nfs/dbraw/zinc/58/96/31/426589631.db2.gz CYYCPLDNGGHULA-GJZGRUSLSA-N 1 0 308.378 2.729 20 5 DFBDRO CCc1ccc([C@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000273149170 426603275 /nfs/dbraw/zinc/60/32/75/426603275.db2.gz HDXSVXLNDDCTLX-HNNXBMFYSA-N 1 0 315.377 2.662 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc1 ZINC000273177013 426609540 /nfs/dbraw/zinc/60/95/40/426609540.db2.gz NMDZSSICSXEIBL-HNNXBMFYSA-N 1 0 313.361 2.634 20 5 DFBDRO C[S@](=O)C1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000280624788 426617517 /nfs/dbraw/zinc/61/75/17/426617517.db2.gz LKGXBOUPNCPBLY-FQEVSTJZSA-N 1 0 316.810 2.639 20 5 DFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299876 426637362 /nfs/dbraw/zinc/63/73/62/426637362.db2.gz GXSAVUGQIKFPLH-BBRMVZONSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@H](CC[NH+](C)C)Nc1c(Br)cncc1[N+](=O)[O-] ZINC000231629306 426650569 /nfs/dbraw/zinc/65/05/69/426650569.db2.gz VDZSKNDVTJWZIS-MRVPVSSYSA-N 1 0 317.187 2.504 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000273399263 426658997 /nfs/dbraw/zinc/65/89/97/426658997.db2.gz LWLVJMTYPUCKJR-HNNXBMFYSA-N 1 0 306.362 2.679 20 5 DFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235464572 426661096 /nfs/dbraw/zinc/66/10/96/426661096.db2.gz UMYUAUMLRNWQTI-LLVKDONJSA-N 1 0 309.366 2.598 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000236577772 426663066 /nfs/dbraw/zinc/66/30/66/426663066.db2.gz VNJBHTZCKLBWFW-LBPRGKRZSA-N 1 0 319.405 2.622 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000280850583 426669250 /nfs/dbraw/zinc/66/92/50/426669250.db2.gz BNJJIMZDHTWCTI-OCCSQVGLSA-N 1 0 305.378 2.504 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)CC[NH+](C)C ZINC000289768287 426675152 /nfs/dbraw/zinc/67/51/52/426675152.db2.gz LBZQUKHEOKXOOF-LLVKDONJSA-N 1 0 308.382 2.619 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686242 426676195 /nfs/dbraw/zinc/67/61/95/426676195.db2.gz AXUVQYLOHXRVTK-HIFRSBDPSA-N 1 0 319.405 2.953 20 5 DFBDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000236834475 426687726 /nfs/dbraw/zinc/68/77/26/426687726.db2.gz OTHSETKFJYOXAZ-QGZVFWFLSA-N 1 0 321.421 2.996 20 5 DFBDRO C[C@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000245201133 426730540 /nfs/dbraw/zinc/73/05/40/426730540.db2.gz FWJWMGPPYDXWOC-MGPQQGTHSA-N 1 0 319.405 2.815 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245531074 426748608 /nfs/dbraw/zinc/74/86/08/426748608.db2.gz SYHKHXUWWDXHNZ-STQMWFEESA-N 1 0 305.378 2.552 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282018086 426813693 /nfs/dbraw/zinc/81/36/93/426813693.db2.gz KCGAEEDRGRKDLG-CVEARBPZSA-N 1 0 320.389 2.567 20 5 DFBDRO CC(=O)N1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000179813343 426818478 /nfs/dbraw/zinc/81/84/78/426818478.db2.gz FGOJGRANAGKQCP-UHFFFAOYSA-N 1 0 319.405 2.772 20 5 DFBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110019 426824680 /nfs/dbraw/zinc/82/46/80/426824680.db2.gz XARPSNJBJABLQN-ZBFHGGJFSA-N 1 0 314.389 2.744 20 5 DFBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000282169863 426843483 /nfs/dbraw/zinc/84/34/83/426843483.db2.gz MEQIDUBICUJCIL-KBPBESRZSA-N 1 0 308.378 2.898 20 5 DFBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000282204594 426852872 /nfs/dbraw/zinc/85/28/72/426852872.db2.gz ODCAXPSTUWOSKL-IUODEOHRSA-N 1 0 308.378 2.898 20 5 DFBDRO C[NH+](C)C[C@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268115209 426915765 /nfs/dbraw/zinc/91/57/65/426915765.db2.gz KAUGPJJAAGTMMF-CYBMUJFWSA-N 1 0 317.345 2.507 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000189649801 426915943 /nfs/dbraw/zinc/91/59/43/426915943.db2.gz BEKQPTDCYLOTAK-CQSZACIVSA-N 1 0 319.405 2.884 20 5 DFBDRO C[C@H]1CCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)[C@H]1C ZINC000247035746 426892844 /nfs/dbraw/zinc/89/28/44/426892844.db2.gz VCSKNIATIRKVHT-STQMWFEESA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268109293 426913776 /nfs/dbraw/zinc/91/37/76/426913776.db2.gz GHBYECQPAVHSGU-BXUZGUMPSA-N 1 0 320.393 2.625 20 5 DFBDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000283116594 426955801 /nfs/dbraw/zinc/95/58/01/426955801.db2.gz MRTHNNNYXWPWPR-RYUDHWBXSA-N 1 0 324.377 2.671 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247882121 426964703 /nfs/dbraw/zinc/96/47/03/426964703.db2.gz BWFNIHBCTQLFRY-BBRMVZONSA-N 1 0 308.353 2.861 20 5 DFBDRO COCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000291779590 426986171 /nfs/dbraw/zinc/98/61/71/426986171.db2.gz UTROXCISWMYMHY-UHFFFAOYSA-N 1 0 318.320 2.958 20 5 DFBDRO COc1c(O)cccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283050081 426940227 /nfs/dbraw/zinc/94/02/27/426940227.db2.gz ORXHGHCLPFNISC-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247491307 426943771 /nfs/dbraw/zinc/94/37/71/426943771.db2.gz WWZDERQLSPBPNN-AGIUHOORSA-N 1 0 303.362 2.654 20 5 DFBDRO CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000292011792 427056787 /nfs/dbraw/zinc/05/67/87/427056787.db2.gz UKPADDSAOLPTCX-UHFFFAOYSA-N 1 0 320.176 2.535 20 5 DFBDRO CC[C@H](NC(=O)CC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000292019256 427059388 /nfs/dbraw/zinc/05/93/88/427059388.db2.gz FDMCIYOFTSMSNY-HIFRSBDPSA-N 1 0 305.378 2.694 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000295727646 427014753 /nfs/dbraw/zinc/01/47/53/427014753.db2.gz VKHVBKGKSNWUAV-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000182118056 427015635 /nfs/dbraw/zinc/01/56/35/427015635.db2.gz QEXIHXDYHGLJRM-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCC(=O)NC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000283461700 427017959 /nfs/dbraw/zinc/01/79/59/427017959.db2.gz VLKZFZLKFHQURF-HUUCEWRRSA-N 1 0 317.389 2.837 20 5 DFBDRO C[C@@H]1C[C@H](C)CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000182239939 427034138 /nfs/dbraw/zinc/03/41/38/427034138.db2.gz BUUUNOIIFOVSDW-KFWWJZLASA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296134081 427085692 /nfs/dbraw/zinc/08/56/92/427085692.db2.gz ILRHUFHKPMYNJV-AGUYFDCRSA-N 1 0 318.377 2.650 20 5 DFBDRO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249332052 427107047 /nfs/dbraw/zinc/10/70/47/427107047.db2.gz PHUUQMQOKAJQNQ-RBSFLKMASA-N 1 0 321.421 2.745 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276603123 427111963 /nfs/dbraw/zinc/11/19/63/427111963.db2.gz KUBBFPDHKYRJHR-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000182632941 427116017 /nfs/dbraw/zinc/11/60/17/427116017.db2.gz IAYVNGWVOSRLOH-LBPRGKRZSA-N 1 0 308.378 2.847 20 5 DFBDRO CC(C)CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC1 ZINC000044898531 270948461 /nfs/dbraw/zinc/94/84/61/270948461.db2.gz OIFLWIGZKCPARM-UHFFFAOYSA-N 1 0 305.378 2.704 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000249520771 427122226 /nfs/dbraw/zinc/12/22/26/427122226.db2.gz MNHJYJRFWDLVFG-UONOGXRCSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284098038 427132422 /nfs/dbraw/zinc/13/24/22/427132422.db2.gz MQRLYEOOVAOLKF-SJKOYZFVSA-N 1 0 315.373 2.870 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1F ZINC000292235902 427139826 /nfs/dbraw/zinc/13/98/26/427139826.db2.gz WIDNLNRJKFKFDP-CQSZACIVSA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184940 427152313 /nfs/dbraw/zinc/15/23/13/427152313.db2.gz RFYCEHJOOXNKKK-JTQLQIEISA-N 1 0 315.329 2.757 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cccc([N+](=O)[O-])c1C ZINC000156241149 271057764 /nfs/dbraw/zinc/05/77/64/271057764.db2.gz FWMRUVXFAAXBPN-UHFFFAOYSA-N 1 0 307.394 2.755 20 5 DFBDRO CCc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)cc1[N+](=O)[O-] ZINC000174193566 271130748 /nfs/dbraw/zinc/13/07/48/271130748.db2.gz AXMAZEVILSSECH-UHFFFAOYSA-N 1 0 321.421 2.817 20 5 DFBDRO CCCCC[N@H+](CCO)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184214482 271196574 /nfs/dbraw/zinc/19/65/74/271196574.db2.gz QKPXKMHXWQZFSB-UHFFFAOYSA-N 1 0 314.357 2.727 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000277339731 427171329 /nfs/dbraw/zinc/17/13/29/427171329.db2.gz FHFVIDRHENEMAH-DOMZBBRYSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)s1 ZINC000182974611 427174937 /nfs/dbraw/zinc/17/49/37/427174937.db2.gz WGYJYEVBJBCSPE-QMMMGPOBSA-N 1 0 300.771 2.857 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000285391188 427219057 /nfs/dbraw/zinc/21/90/57/427219057.db2.gz DMALXEBDRFKXCV-STQMWFEESA-N 1 0 308.378 2.756 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000292443574 427182500 /nfs/dbraw/zinc/18/25/00/427182500.db2.gz YMORSEZVOSSADH-GFCCVEGCSA-N 1 0 304.394 2.609 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000277386710 427185769 /nfs/dbraw/zinc/18/57/69/427185769.db2.gz DADOLVYEORAQHQ-ZDUSSCGKSA-N 1 0 306.366 2.543 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000183079112 427197429 /nfs/dbraw/zinc/19/74/29/427197429.db2.gz UEWOPBBFMYFTFQ-NEPJUHHUSA-N 1 0 323.393 2.956 20 5 DFBDRO C[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000292885079 427203409 /nfs/dbraw/zinc/20/34/09/427203409.db2.gz VGEUZHOOHVFDJR-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000285394888 427219810 /nfs/dbraw/zinc/21/98/10/427219810.db2.gz SXTRZKOJMYRXLT-LLVKDONJSA-N 1 0 313.348 2.789 20 5 DFBDRO C[N@H+](CCCO[C@@H]1CCCCO1)Cc1ccccc1[N+](=O)[O-] ZINC000338234913 427207911 /nfs/dbraw/zinc/20/79/11/427207911.db2.gz JEIBMYGASZICSJ-MRXNPFEDSA-N 1 0 308.378 2.960 20 5 DFBDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000285402457 427221251 /nfs/dbraw/zinc/22/12/51/427221251.db2.gz XEZQZXAPJBRIFK-HNNXBMFYSA-N 1 0 302.378 2.648 20 5 DFBDRO CCC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000183217796 427226518 /nfs/dbraw/zinc/22/65/18/427226518.db2.gz AYRHWKLJTMAUKQ-CQSZACIVSA-N 1 0 307.394 2.798 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000293155551 427229593 /nfs/dbraw/zinc/22/95/93/427229593.db2.gz XMQIUFWQMJEIOL-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000330399458 427230839 /nfs/dbraw/zinc/23/08/39/427230839.db2.gz RMMRWDQNRVGPMY-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285445864 427233164 /nfs/dbraw/zinc/23/31/64/427233164.db2.gz ZGMGKQLICUJKIA-SJKOYZFVSA-N 1 0 315.373 2.870 20 5 DFBDRO Cc1c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000285450972 427235272 /nfs/dbraw/zinc/23/52/72/427235272.db2.gz GHMLIZCBZYOELD-BBRMVZONSA-N 1 0 303.406 2.962 20 5 DFBDRO CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1=O ZINC000296794981 427236178 /nfs/dbraw/zinc/23/61/78/427236178.db2.gz TVKNUAREOILXBA-WFASDCNBSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285450975 427236571 /nfs/dbraw/zinc/23/65/71/427236571.db2.gz GHMLIZCBZYOELD-CJNGLKHVSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@@H]1CC[C@@](CO)(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000285454131 427236800 /nfs/dbraw/zinc/23/68/00/427236800.db2.gz YIKLJZHNHKGVHV-MEBBXXQBSA-N 1 0 314.332 2.856 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](O)CC3)co2)cc1 ZINC000293196424 427243344 /nfs/dbraw/zinc/24/33/44/427243344.db2.gz QNDIJEUYLVHHTE-OAHLLOKOSA-N 1 0 317.345 2.597 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255180183 427245677 /nfs/dbraw/zinc/24/56/77/427245677.db2.gz TVPQRPKPTHDIPO-WOLCWHLNSA-N 1 0 317.389 2.551 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183311144 427246240 /nfs/dbraw/zinc/24/62/40/427246240.db2.gz KHEONOMIYUZSDO-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@H]2CCC[C@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000337354659 271502890 /nfs/dbraw/zinc/50/28/90/271502890.db2.gz BOQDTXLCTQGJFA-TZMCWYRMSA-N 1 0 303.362 2.798 20 5 DFBDRO COc1ccccc1[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269711896 427259006 /nfs/dbraw/zinc/25/90/06/427259006.db2.gz PSJWIDCZCBTNFL-WBMJQRKESA-N 1 0 316.357 2.988 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000183393970 427261708 /nfs/dbraw/zinc/26/17/08/427261708.db2.gz QUZXSVTZDUESDL-NVXWUHKLSA-N 1 0 303.406 2.819 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000285540145 427265194 /nfs/dbraw/zinc/26/51/94/427265194.db2.gz LLUPKTXEKDVXNP-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338357975 427275281 /nfs/dbraw/zinc/27/52/81/427275281.db2.gz PXYVMUBBOZDOSI-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000285572120 427276993 /nfs/dbraw/zinc/27/69/93/427276993.db2.gz NTVXBRFMBNVKFC-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccncc1[N+](=O)[O-] ZINC000183632171 427304104 /nfs/dbraw/zinc/30/41/04/427304104.db2.gz GFXICANJSCMLII-UHFFFAOYSA-N 1 0 323.397 2.623 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000191296342 427310621 /nfs/dbraw/zinc/31/06/21/427310621.db2.gz BDRXPXIIEUXKEW-ZFWWWQNUSA-N 1 0 308.378 2.503 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC=C(C)CC1 ZINC000270360680 427331516 /nfs/dbraw/zinc/33/15/16/427331516.db2.gz RPPABPABCPRNNT-UHFFFAOYSA-N 1 0 319.361 2.584 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000183817437 427344522 /nfs/dbraw/zinc/34/45/22/427344522.db2.gz AMACXQBILXRDBW-AWEZNQCLSA-N 1 0 310.737 2.839 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCCCC[NH+](C)C ZINC000277884440 427349445 /nfs/dbraw/zinc/34/94/45/427349445.db2.gz CYIUOSMWPQGTJZ-UHFFFAOYSA-N 1 0 313.785 2.628 20 5 DFBDRO CC1([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183855493 427352113 /nfs/dbraw/zinc/35/21/13/427352113.db2.gz PONJBUAVSVFNSN-AWEZNQCLSA-N 1 0 306.362 2.570 20 5 DFBDRO C[C@H](Cn1ccnc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153863 427418860 /nfs/dbraw/zinc/41/88/60/427418860.db2.gz AMXVHRGEWGBIFB-WBMJQRKESA-N 1 0 300.362 2.847 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632816 427387230 /nfs/dbraw/zinc/38/72/30/427387230.db2.gz HRSNRMMBZNRMRS-NHYWBVRUSA-N 1 0 318.377 2.724 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293637217 427389621 /nfs/dbraw/zinc/38/96/21/427389621.db2.gz HWPIXBLXRYTCRM-LBPRGKRZSA-N 1 0 301.346 2.907 20 5 DFBDRO CC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)N1CCCC1 ZINC000293641637 427390937 /nfs/dbraw/zinc/39/09/37/427390937.db2.gz IBLBXSKGKHKKQD-JSGCOSHPSA-N 1 0 306.410 2.702 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000184107759 427396125 /nfs/dbraw/zinc/39/61/25/427396125.db2.gz QYFCNFSUSXHPSA-CQSZACIVSA-N 1 0 320.389 2.785 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cnn(C)c1 ZINC000271123068 427410309 /nfs/dbraw/zinc/41/03/09/427410309.db2.gz JYUNMFQYLPAXBO-CYBMUJFWSA-N 1 0 320.418 2.989 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000285888133 427364244 /nfs/dbraw/zinc/36/42/44/427364244.db2.gz ZAJQXJUDFJLVII-IUODEOHRSA-N 1 0 318.377 2.685 20 5 DFBDRO CCOc1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000338743256 427464411 /nfs/dbraw/zinc/46/44/11/427464411.db2.gz HEKKTGGALRVTQJ-QGZVFWFLSA-N 1 0 319.405 2.916 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286248261 427467531 /nfs/dbraw/zinc/46/75/31/427467531.db2.gz VBBACJNCNBHLME-VIFPVBQESA-N 1 0 309.395 2.742 20 5 DFBDRO CCC[N@@H+](CCc1cccs1)CCn1cc([N+](=O)[O-])cn1 ZINC000184505475 427475208 /nfs/dbraw/zinc/47/52/08/427475208.db2.gz UAVCDXKYRNODDK-UHFFFAOYSA-N 1 0 308.407 2.808 20 5 DFBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C[C@H]1C ZINC000331974881 427488684 /nfs/dbraw/zinc/48/86/84/427488684.db2.gz AGYXKIYKJQMHEO-IJLUTSLNSA-N 1 0 306.362 2.938 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000184544713 427484822 /nfs/dbraw/zinc/48/48/22/427484822.db2.gz DLWAAGFVTGZHMS-AWEZNQCLSA-N 1 0 306.318 2.544 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286090243 427422703 /nfs/dbraw/zinc/42/27/03/427422703.db2.gz DMEMLBDGOSVRIZ-NNQSOWQGSA-N 1 0 317.389 2.600 20 5 DFBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000293742046 427424362 /nfs/dbraw/zinc/42/43/62/427424362.db2.gz QTJLWNOYPNQVBC-CYBMUJFWSA-N 1 0 308.378 2.689 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H](C)[S@]1=O ZINC000286147031 427437639 /nfs/dbraw/zinc/43/76/39/427437639.db2.gz VTIQSBIYCDOUHH-ZWTFIKMHSA-N 1 0 310.419 2.635 20 5 DFBDRO CC(C)c1cccc2c1CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C2 ZINC000191894470 427440578 /nfs/dbraw/zinc/44/05/78/427440578.db2.gz OGZKZLPZYJSRNE-UHFFFAOYSA-N 1 0 314.389 2.973 20 5 DFBDRO C[C@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H](C)[NH+]1C ZINC000338795853 427495265 /nfs/dbraw/zinc/49/52/65/427495265.db2.gz PWCMFNOXQHORTO-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3[N+](=O)[O-])C2)n1 ZINC000332081601 427504338 /nfs/dbraw/zinc/50/43/38/427504338.db2.gz MKESZDYYCXRBMN-CMPLNLGQSA-N 1 0 302.334 2.837 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH+](CC)CC ZINC000184640489 427509303 /nfs/dbraw/zinc/50/93/03/427509303.db2.gz BALYFFXRTIPEQG-HNNXBMFYSA-N 1 0 321.421 2.622 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271368580 427514531 /nfs/dbraw/zinc/51/45/31/427514531.db2.gz JKDWOGCXKLPBSE-NEPJUHHUSA-N 1 0 324.377 2.517 20 5 DFBDRO COC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000184731015 427528706 /nfs/dbraw/zinc/52/87/06/427528706.db2.gz GAYWOFVBFJTRDU-HNNXBMFYSA-N 1 0 320.345 2.852 20 5 DFBDRO C[C@@]12CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000298198096 427532074 /nfs/dbraw/zinc/53/20/74/427532074.db2.gz CBYXDWYLNXUTSD-UONOGXRCSA-N 1 0 312.316 2.951 20 5 DFBDRO CCCC(=O)N[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000263700713 427543787 /nfs/dbraw/zinc/54/37/87/427543787.db2.gz NOVBBMQMUZPAQB-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000271462617 427547417 /nfs/dbraw/zinc/54/74/17/427547417.db2.gz HNEFFLHTYQPLIF-ZHAHWJHGSA-N 1 0 306.284 2.947 20 5 DFBDRO Cn1nccc1C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279086428 427553126 /nfs/dbraw/zinc/55/31/26/427553126.db2.gz NBFKKAMOEWMYGQ-OAHLLOKOSA-N 1 0 300.362 2.841 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)N1C ZINC000294118124 427556255 /nfs/dbraw/zinc/55/62/55/427556255.db2.gz ZOHFRCNYZDXJHY-PHIMTYICSA-N 1 0 317.345 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000332437937 427612991 /nfs/dbraw/zinc/61/29/91/427612991.db2.gz HQINIOKRSGQJOO-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000279270633 427620451 /nfs/dbraw/zinc/62/04/51/427620451.db2.gz NJUWTYRSZPBQRN-MFKMUULPSA-N 1 0 302.334 2.923 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000332594325 427621492 /nfs/dbraw/zinc/62/14/92/427621492.db2.gz OLZUBSMWWIOMPP-KGLIPLIRSA-N 1 0 317.389 2.520 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000298305457 427566932 /nfs/dbraw/zinc/56/69/32/427566932.db2.gz YIPASMBDCWMBOG-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332326179 427580845 /nfs/dbraw/zinc/58/08/45/427580845.db2.gz OLRYFHDCESWMCP-NEPJUHHUSA-N 1 0 301.350 2.654 20 5 DFBDRO COCCO[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000338952669 427586621 /nfs/dbraw/zinc/58/66/21/427586621.db2.gz HVJKTUNOWHMLJR-HNNXBMFYSA-N 1 0 308.378 2.531 20 5 DFBDRO COc1cc(C[NH2+]CCCCCSC)c([N+](=O)[O-])cc1O ZINC000185166064 427605761 /nfs/dbraw/zinc/60/57/61/427605761.db2.gz LCFCMZVTGKXAMK-UHFFFAOYSA-N 1 0 314.407 2.932 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000185415017 427647941 /nfs/dbraw/zinc/64/79/41/427647941.db2.gz HJKYPCVODWVOCS-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279373813 427652404 /nfs/dbraw/zinc/65/24/04/427652404.db2.gz XHPSWTVJOLCNEC-HZSPNIEDSA-N 1 0 308.378 2.503 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279375451 427656329 /nfs/dbraw/zinc/65/63/29/427656329.db2.gz XKZUMOHTCLIMCQ-DOMZBBRYSA-N 1 0 305.378 2.726 20 5 DFBDRO CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)NCC[NH2+]C(C)(C)C ZINC000185461967 427656602 /nfs/dbraw/zinc/65/66/02/427656602.db2.gz PKOQPJCJDLHVIS-CQSZACIVSA-N 1 0 321.421 2.668 20 5 DFBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342692482 272042066 /nfs/dbraw/zinc/04/20/66/272042066.db2.gz DIQICSNJGIUDGV-CABCVRRESA-N 1 0 322.405 2.845 20 5 DFBDRO CCC[N@H+](CC(C)C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342712455 272043972 /nfs/dbraw/zinc/04/39/72/272043972.db2.gz SDILHEPRYRITRE-CQSZACIVSA-N 1 0 310.394 2.703 20 5 DFBDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000193098762 427666563 /nfs/dbraw/zinc/66/65/63/427666563.db2.gz AWGSFFMVFXUYCX-CQSZACIVSA-N 1 0 319.361 2.746 20 5 DFBDRO CCSc1cccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c1 ZINC000185583820 427674320 /nfs/dbraw/zinc/67/43/20/427674320.db2.gz IWKOWXRFNOHXLH-UHFFFAOYSA-N 1 0 306.391 2.693 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)n1 ZINC000343600661 272180645 /nfs/dbraw/zinc/18/06/45/272180645.db2.gz DZLPEZUSQBXBNX-UONOGXRCSA-N 1 0 304.394 2.670 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)n1 ZINC000343784917 272218749 /nfs/dbraw/zinc/21/87/49/272218749.db2.gz FFZHRSVWIRDIJH-UONOGXRCSA-N 1 0 304.394 2.670 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000193282150 427679209 /nfs/dbraw/zinc/67/92/09/427679209.db2.gz GCJBLETYOSWSAX-TZMCWYRMSA-N 1 0 320.345 2.587 20 5 DFBDRO Cc1ccccc1[C@H]([C@H](C)Nc1c([N+](=O)[O-])ncn1C)[NH+](C)C ZINC000343810698 272224012 /nfs/dbraw/zinc/22/40/12/272224012.db2.gz QXXKSZHZWYITLF-JSGCOSHPSA-N 1 0 317.393 2.740 20 5 DFBDRO CC(=O)NC1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000344080277 272258409 /nfs/dbraw/zinc/25/84/09/272258409.db2.gz YUDNFCDYBDZZGI-UHFFFAOYSA-N 1 0 319.405 2.782 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344122906 272268591 /nfs/dbraw/zinc/26/85/91/272268591.db2.gz FEMJBGVLYJBCLJ-SNVBAGLBSA-N 1 0 308.769 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CCn2cnnc2C2CC2)c(Cl)c1 ZINC000344209299 272287775 /nfs/dbraw/zinc/28/77/75/272287775.db2.gz HNUWSAYJEKKEBW-UHFFFAOYSA-N 1 0 321.768 2.507 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000344217235 272289584 /nfs/dbraw/zinc/28/95/84/272289584.db2.gz QRJMNUQCBLHEBS-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@H]21 ZINC000344271639 272302664 /nfs/dbraw/zinc/30/26/64/272302664.db2.gz ABVBRDVZDWRDHS-BZUAXINKSA-N 1 0 320.389 2.767 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])nc2)[C@@H](C)C1 ZINC000344425841 272330437 /nfs/dbraw/zinc/33/04/37/272330437.db2.gz WQESDTZEPVQZLK-DZGCQCFKSA-N 1 0 322.409 2.539 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000344737854 272363366 /nfs/dbraw/zinc/36/33/66/272363366.db2.gz CMEYOHCFYSUWGZ-IJEWVQPXSA-N 1 0 305.422 2.988 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H](O)C(F)F)o2)c1 ZINC000344781586 272367998 /nfs/dbraw/zinc/36/79/98/272367998.db2.gz WOUKHJVJUDNJJO-LBPRGKRZSA-N 1 0 312.272 2.570 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)COCC(C)C ZINC000344788929 272369646 /nfs/dbraw/zinc/36/96/46/272369646.db2.gz GTDYWJHLOQPGHD-UBWHZCOUSA-N 1 0 322.405 2.621 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccnc2ccnn21 ZINC000344832914 272375786 /nfs/dbraw/zinc/37/57/86/272375786.db2.gz OBVSCABUMNTTRF-UKTHLTGXSA-N 1 0 323.356 2.831 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCc1nc(C)no1 ZINC000344859484 272378989 /nfs/dbraw/zinc/37/89/89/272378989.db2.gz OYMTXFOQICODEP-XFXZXTDPSA-N 1 0 316.361 2.912 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCN3CCC3)o2)cc1 ZINC000344891943 272383009 /nfs/dbraw/zinc/38/30/09/272383009.db2.gz RUDNFYVEPZCRGB-UHFFFAOYSA-N 1 0 301.346 2.650 20 5 DFBDRO Cc1ccc(C(=O)NCC2(C[NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000185874032 427722453 /nfs/dbraw/zinc/72/24/53/427722453.db2.gz GKGQYJLIMBJQNX-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC[S@](C)=O ZINC000345044906 272397456 /nfs/dbraw/zinc/39/74/56/272397456.db2.gz SBDDDKTULATFAE-LMURXGANSA-N 1 0 310.419 2.745 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000345042803 272397789 /nfs/dbraw/zinc/39/77/89/272397789.db2.gz BOZWTLYJIBVLMN-XRSJLPJASA-N 1 0 310.419 2.745 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000295109648 427697812 /nfs/dbraw/zinc/69/78/12/427697812.db2.gz KXQCLZYCZGLHOE-ZYHUDNBSSA-N 1 0 323.780 2.557 20 5 DFBDRO C[NH+]1CCC(NCc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279565202 427704237 /nfs/dbraw/zinc/70/42/37/427704237.db2.gz SHNUFAUECMDKLS-UHFFFAOYSA-N 1 0 317.311 2.797 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000193668268 427707092 /nfs/dbraw/zinc/70/70/92/427707092.db2.gz OLLZLDUDSKYZPG-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cc(NC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000193725175 427709889 /nfs/dbraw/zinc/70/98/89/427709889.db2.gz IKZXOCCJYWHSOC-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1(C(=O)OC)CCC1 ZINC000272340096 427714223 /nfs/dbraw/zinc/71/42/23/427714223.db2.gz BPSPCWISXYFIOO-OAHLLOKOSA-N 1 0 320.389 2.849 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[N@@H+]1CCCC[C@H]1C ZINC000336863832 427766266 /nfs/dbraw/zinc/76/62/66/427766266.db2.gz IYSNAVMWGGTORZ-GFCCVEGCSA-N 1 0 309.414 2.796 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(-c2n[nH]c3ccc([N+](=O)[O-])cc32)n1 ZINC000339397832 427768266 /nfs/dbraw/zinc/76/82/66/427768266.db2.gz SQBUCOHEQNXMAI-SNVBAGLBSA-N 1 0 316.321 2.567 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000336874495 427769887 /nfs/dbraw/zinc/76/98/87/427769887.db2.gz ZEAGENMDOSGJAE-ARFHVFGLSA-N 1 0 320.389 2.729 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3c(F)cccc3[N+](=O)[O-])C2)C1 ZINC000339431217 427774031 /nfs/dbraw/zinc/77/40/31/427774031.db2.gz WOGJIFOAZONNNQ-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000301230786 427783491 /nfs/dbraw/zinc/78/34/91/427783491.db2.gz AQQBOMSUIIKRED-NSHDSACASA-N 1 0 323.422 2.980 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)o2)cc1 ZINC000359455109 427859169 /nfs/dbraw/zinc/85/91/69/427859169.db2.gz CBWPHPOSNUHQFZ-OKILXGFUSA-N 1 0 313.357 2.506 20 5 DFBDRO Cc1ccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449988 427797469 /nfs/dbraw/zinc/79/74/69/427797469.db2.gz SJGWKARGNQGQLI-KBPBESRZSA-N 1 0 307.394 2.814 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301495146 427799792 /nfs/dbraw/zinc/79/97/92/427799792.db2.gz AKNCKXUJYRFQND-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO CCOc1cc(N2CC[N@@H+]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301507176 427801254 /nfs/dbraw/zinc/80/12/54/427801254.db2.gz HHYWKYHJSJNVTQ-CQSZACIVSA-N 1 0 305.378 2.668 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000301564087 427805289 /nfs/dbraw/zinc/80/52/89/427805289.db2.gz YSZQXWLFCNTKPL-CYBMUJFWSA-N 1 0 307.394 2.885 20 5 DFBDRO Cc1nn(C)c(NCC2CC[NH+](CCC(C)C)CC2)c1[N+](=O)[O-] ZINC000301570469 427806462 /nfs/dbraw/zinc/80/64/62/427806462.db2.gz XUHALQUNJDVJRH-UHFFFAOYSA-N 1 0 323.441 2.807 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[C@@H](CC2CC2)C1 ZINC000339675018 427810186 /nfs/dbraw/zinc/81/01/86/427810186.db2.gz RALMGMVUSPHVQN-AWEZNQCLSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000301613728 427810206 /nfs/dbraw/zinc/81/02/06/427810206.db2.gz HMURZFOTCCBSPV-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnc(OC)nc1C)c1cccc([N+](=O)[O-])c1 ZINC000337198328 427813053 /nfs/dbraw/zinc/81/30/53/427813053.db2.gz ZMEPYRAVDIWEFU-OAHLLOKOSA-N 1 0 316.361 2.943 20 5 DFBDRO Cc1nc(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301675776 427815406 /nfs/dbraw/zinc/81/54/06/427815406.db2.gz SGXGNDYUERDQJO-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000339777302 427827360 /nfs/dbraw/zinc/82/73/60/427827360.db2.gz SQUBCMMOQVGLPA-CYBMUJFWSA-N 1 0 321.421 2.719 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337274895 427829513 /nfs/dbraw/zinc/82/95/13/427829513.db2.gz DJKAZZJZJJXENB-CMPLNLGQSA-N 1 0 316.304 2.853 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c(F)c1 ZINC000337279064 427830524 /nfs/dbraw/zinc/83/05/24/427830524.db2.gz GKYUXTMHMUYUFP-NEPJUHHUSA-N 1 0 304.268 2.984 20 5 DFBDRO CCC[N@@H+]1CCCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000301945551 427844244 /nfs/dbraw/zinc/84/42/44/427844244.db2.gz ZQQOEJWDDKMRHA-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO Cc1ccc(C[NH2+]CC(=O)Nc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000340439884 427849484 /nfs/dbraw/zinc/84/94/84/427849484.db2.gz NTFDKZWTCVGADN-UHFFFAOYSA-N 1 0 317.320 2.771 20 5 DFBDRO COC1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000340441322 427850324 /nfs/dbraw/zinc/85/03/24/427850324.db2.gz OITIYNLPYZITEE-ZIAGYGMSSA-N 1 0 322.409 2.824 20 5 DFBDRO C[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000337366002 427867237 /nfs/dbraw/zinc/86/72/37/427867237.db2.gz LKKQORYBMGJLHO-QWHCGFSZSA-N 1 0 320.393 2.979 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[NH+]1CCCCCC1 ZINC000337379508 427873579 /nfs/dbraw/zinc/87/35/79/427873579.db2.gz UDARGSOASQPVCV-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO CCC[NH+]1CCC(Nc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302841572 427878816 /nfs/dbraw/zinc/87/88/16/427878816.db2.gz MDFIBZXENLSXKH-UHFFFAOYSA-N 1 0 304.394 2.849 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(F)cc1 ZINC000337395004 427885035 /nfs/dbraw/zinc/88/50/35/427885035.db2.gz IPONARKQAFRRNE-AWEZNQCLSA-N 1 0 306.341 2.954 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000345778389 427901375 /nfs/dbraw/zinc/90/13/75/427901375.db2.gz MZSLUPKKTUDUAP-CHWSQXEVSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000349974302 427912552 /nfs/dbraw/zinc/91/25/52/427912552.db2.gz WQCHOOAKITVIBU-RHSMWYFYSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000349974308 427914241 /nfs/dbraw/zinc/91/42/41/427914241.db2.gz WQCHOOAKITVIBU-WMLDXEAASA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000349974313 427915308 /nfs/dbraw/zinc/91/53/08/427915308.db2.gz WQCHOOAKITVIBU-YOEHRIQHSA-N 1 0 303.406 2.962 20 5 DFBDRO CC(C)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000304254749 427921907 /nfs/dbraw/zinc/92/19/07/427921907.db2.gz BGQXBPBXAVUQIH-OAHLLOKOSA-N 1 0 308.378 2.597 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000337471708 427922545 /nfs/dbraw/zinc/92/25/45/427922545.db2.gz PVWINZCGHBNIKD-NTZNESFSSA-N 1 0 321.377 2.709 20 5 DFBDRO Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341046179 427976205 /nfs/dbraw/zinc/97/62/05/427976205.db2.gz AMKISGBQHBTLGK-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO C[NH+](C)CCOc1cnccc1CNc1ccccc1[N+](=O)[O-] ZINC000341051804 427980928 /nfs/dbraw/zinc/98/09/28/427980928.db2.gz OTZSWCBORNUWQP-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(O)CCSC2)cc1[N+](=O)[O-] ZINC000304654312 427940049 /nfs/dbraw/zinc/94/00/49/427940049.db2.gz UDFOPLVPSNOESO-HNNXBMFYSA-N 1 0 310.419 2.676 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000359808726 428026956 /nfs/dbraw/zinc/02/69/56/428026956.db2.gz ZSNVSDVWNLZOJH-GFCCVEGCSA-N 1 0 307.394 2.609 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OC ZINC000341253358 428028739 /nfs/dbraw/zinc/02/87/39/428028739.db2.gz CCDAZIXEVIKAOK-SMDDNHRTSA-N 1 0 324.377 2.517 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc([N+](=O)[O-])c1 ZINC000347478971 272795417 /nfs/dbraw/zinc/79/54/17/272795417.db2.gz FSGNUJMTGOEBND-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764353 428055638 /nfs/dbraw/zinc/05/56/38/428055638.db2.gz BRYYQHCPAZNICM-CVEARBPZSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)[NH+](CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000356178388 428055968 /nfs/dbraw/zinc/05/59/68/428055968.db2.gz QUQULDBGXCCTNN-UHFFFAOYSA-N 1 0 321.421 2.715 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000359744788 428000599 /nfs/dbraw/zinc/00/05/99/428000599.db2.gz QWHVWSOMITVLIK-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO [NH3+][C@@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346068275 428008766 /nfs/dbraw/zinc/00/87/66/428008766.db2.gz LWKIDZLLHHCPOC-CYBMUJFWSA-N 1 0 301.346 2.778 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)c1ncc([N+](=O)[O-])cc1F ZINC000413280380 428009804 /nfs/dbraw/zinc/00/98/04/428009804.db2.gz KLCYEYFKZWKOEY-UHFFFAOYSA-N 1 0 310.373 2.831 20 5 DFBDRO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000370054603 428123779 /nfs/dbraw/zinc/12/37/79/428123779.db2.gz BXDITLCOUJGBAU-HNNXBMFYSA-N 1 0 314.389 2.844 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352354893 428133275 /nfs/dbraw/zinc/13/32/75/428133275.db2.gz FTISUBCXMIRXCO-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535421 428140000 /nfs/dbraw/zinc/14/00/00/428140000.db2.gz QJHQSBMDEYPSRG-CABCVRRESA-N 1 0 319.405 2.520 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)ccc1[N+](=O)[O-] ZINC000352544654 428145658 /nfs/dbraw/zinc/14/56/58/428145658.db2.gz CBXBZNMOEZECSX-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO COc1cc(CN(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000352556406 428148917 /nfs/dbraw/zinc/14/89/17/428148917.db2.gz ZLMZGCSKWHCELY-OAHLLOKOSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1noc(C)c1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352570738 428154544 /nfs/dbraw/zinc/15/45/44/428154544.db2.gz LNPRUCIIDAQMEI-UHFFFAOYSA-N 1 0 303.362 2.917 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000341761743 428185333 /nfs/dbraw/zinc/18/53/33/428185333.db2.gz RIZQECVXKHMNAC-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c(F)c1 ZINC000360228455 428212860 /nfs/dbraw/zinc/21/28/60/428212860.db2.gz BTRFTMHWCMXKCZ-MLGOLLRUSA-N 1 0 323.368 2.647 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360230434 428214555 /nfs/dbraw/zinc/21/45/55/428214555.db2.gz OJBBALSLLTXBOA-WFASDCNBSA-N 1 0 323.368 2.647 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCC[NH+]1CCCCC1)CCO2 ZINC000352705293 428214748 /nfs/dbraw/zinc/21/47/48/428214748.db2.gz JHUATWRFXYRCQH-UHFFFAOYSA-N 1 0 319.405 2.665 20 5 DFBDRO CC(C)(C)C1C[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000414153270 428220461 /nfs/dbraw/zinc/22/04/61/428220461.db2.gz ZAIQGBBHBUFPPA-UHFFFAOYSA-N 1 0 305.378 2.901 20 5 DFBDRO Cc1nc([C@H]2CCCN(Cc3cc(F)ccc3[N+](=O)[O-])C2)no1 ZINC000360271255 428231308 /nfs/dbraw/zinc/23/13/08/428231308.db2.gz OUCZNXGSVLUEJQ-NSHDSACASA-N 1 0 320.324 2.805 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370402458 428201434 /nfs/dbraw/zinc/20/14/34/428201434.db2.gz AOHCQCVXVNJHQU-CXAGYDPISA-N 1 0 317.389 2.600 20 5 DFBDRO C[N@@H+]1CCC[C@H](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000414396918 428283861 /nfs/dbraw/zinc/28/38/61/428283861.db2.gz GUUIVZNDPZZAIR-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000352865904 428287911 /nfs/dbraw/zinc/28/79/11/428287911.db2.gz FNFJRRKHTMWKRK-GOEBONIOSA-N 1 0 322.405 2.989 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000356591977 428246323 /nfs/dbraw/zinc/24/63/23/428246323.db2.gz DSZRMKODUSIKGV-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCn2ccnc2C1 ZINC000377860051 428248847 /nfs/dbraw/zinc/24/88/47/428248847.db2.gz KLDJKJHDBZZTIP-NSHDSACASA-N 1 0 306.391 2.547 20 5 DFBDRO CCc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000414444119 428298044 /nfs/dbraw/zinc/29/80/44/428298044.db2.gz UCPONRGUFHJAFD-UHFFFAOYSA-N 1 0 300.362 2.622 20 5 DFBDRO C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000370620327 428254796 /nfs/dbraw/zinc/25/47/96/428254796.db2.gz PBNMWMXTOZXTMR-ZDUSSCGKSA-N 1 0 312.369 2.775 20 5 DFBDRO CCC[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[N@@H+]1CCOC ZINC000346661945 428261478 /nfs/dbraw/zinc/26/14/78/428261478.db2.gz UWUGKXVMQIIIKJ-CQSZACIVSA-N 1 0 307.394 2.532 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000356833463 428329042 /nfs/dbraw/zinc/32/90/42/428329042.db2.gz DUZXGQCTAPPFLI-OAHLLOKOSA-N 1 0 300.362 2.959 20 5 DFBDRO CCC[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000296483418 273614676 /nfs/dbraw/zinc/61/46/76/273614676.db2.gz KQOKDRNRXMBLQV-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414567393 428345119 /nfs/dbraw/zinc/34/51/19/428345119.db2.gz YBLFCLHHFNSPDU-GDBMZVCRSA-N 1 0 322.405 2.595 20 5 DFBDRO Cc1c(CN2CCC3(CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000378434892 428395899 /nfs/dbraw/zinc/39/58/99/428395899.db2.gz VTCZSXLIHKAUES-UHFFFAOYSA-N 1 0 303.406 2.963 20 5 DFBDRO CN(Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC([NH3+])C1 ZINC000414776261 428403434 /nfs/dbraw/zinc/40/34/34/428403434.db2.gz NAYKYRJTRUACCO-UHFFFAOYSA-N 1 0 301.346 2.776 20 5 DFBDRO Cc1cc(OCc2nc([C@@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000414623759 428357881 /nfs/dbraw/zinc/35/78/81/428357881.db2.gz UROUBXZMFLZJCE-LBPRGKRZSA-N 1 0 320.349 2.911 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@H](CO)C1 ZINC000342239816 428364665 /nfs/dbraw/zinc/36/46/65/428364665.db2.gz GOQMMXGGLVEJTB-KBPBESRZSA-N 1 0 322.405 2.882 20 5 DFBDRO CNC(=O)C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360774347 428434575 /nfs/dbraw/zinc/43/45/75/428434575.db2.gz YKCXCHXVEFFLIR-MRXNPFEDSA-N 1 0 313.357 2.562 20 5 DFBDRO [NH3+]C1(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000414878648 428441294 /nfs/dbraw/zinc/44/12/94/428441294.db2.gz ONWGVAJPJYHJEX-UHFFFAOYSA-N 1 0 318.402 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000378515347 428416094 /nfs/dbraw/zinc/41/60/94/428416094.db2.gz WGHHLTNEZBIUMU-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000359479564 273782402 /nfs/dbraw/zinc/78/24/02/273782402.db2.gz GYHRIYHDWCTJOR-RYUDHWBXSA-N 1 0 309.414 2.794 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])N[C@@H]1C[NH2+]CCC1(F)F ZINC000414998367 428486021 /nfs/dbraw/zinc/48/60/21/428486021.db2.gz IUMUEVBEEPYMMA-SMDDNHRTSA-N 1 0 313.348 2.503 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360915139 428488645 /nfs/dbraw/zinc/48/86/45/428488645.db2.gz VJJWKVJZNSZDGC-GFCCVEGCSA-N 1 0 307.398 2.548 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000360960836 428511314 /nfs/dbraw/zinc/51/13/14/428511314.db2.gz NHGWLTMNDOKQBR-NEPJUHHUSA-N 1 0 309.414 2.652 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000360960837 428511368 /nfs/dbraw/zinc/51/13/68/428511368.db2.gz NHGWLTMNDOKQBR-NWDGAFQWSA-N 1 0 309.414 2.652 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373247617 428525883 /nfs/dbraw/zinc/52/58/83/428525883.db2.gz RPSUUDRGNBECDC-KRWDZBQOSA-N 1 0 320.389 2.729 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1ccsc1)[NH+](C)C ZINC000360880682 428475687 /nfs/dbraw/zinc/47/56/87/428475687.db2.gz AEEWSBDUFZUIKG-GFCCVEGCSA-N 1 0 323.422 2.896 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347449316 428583595 /nfs/dbraw/zinc/58/35/95/428583595.db2.gz ORIIKRAKKTZEJS-VXGBXAGGSA-N 1 0 315.377 2.823 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415502783 428590615 /nfs/dbraw/zinc/59/06/15/428590615.db2.gz NWZMKUFAODDIOA-CQSZACIVSA-N 1 0 306.366 2.542 20 5 DFBDRO Cn1ccc(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358240384 428592211 /nfs/dbraw/zinc/59/22/11/428592211.db2.gz QUEAZIBIUVKGSU-CJNGLKHVSA-N 1 0 314.389 2.829 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1[N+](=O)[O-] ZINC000373507363 428593565 /nfs/dbraw/zinc/59/35/65/428593565.db2.gz AUWJPGIIYAXIPD-ZDUSSCGKSA-N 1 0 316.361 2.504 20 5 DFBDRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000347312106 428539524 /nfs/dbraw/zinc/53/95/24/428539524.db2.gz YNPZYOCYZDXFSC-HZMBPMFUSA-N 1 0 324.356 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415298665 428564708 /nfs/dbraw/zinc/56/47/08/428564708.db2.gz PKJXHZYNMVHDGO-QMTHXVAHSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415300171 428565358 /nfs/dbraw/zinc/56/53/58/428565358.db2.gz ROIASWMUILBKMG-OAHLLOKOSA-N 1 0 308.382 2.707 20 5 DFBDRO CC(C)CC1(C)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000343997302 428601871 /nfs/dbraw/zinc/60/18/71/428601871.db2.gz ULCQZXGUTNWZGQ-UHFFFAOYSA-N 1 0 321.421 2.905 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NC(CC)(CC)C[NH3+] ZINC000415668033 428612644 /nfs/dbraw/zinc/61/26/44/428612644.db2.gz YYDHDDPNESJCIX-UHFFFAOYSA-N 1 0 324.381 2.633 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344030458 428612887 /nfs/dbraw/zinc/61/28/87/428612887.db2.gz BQPZXGRRXHEEAE-KBPBESRZSA-N 1 0 322.405 2.703 20 5 DFBDRO C[NH+](C)CC1(C(=O)NCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000358627751 428613273 /nfs/dbraw/zinc/61/32/73/428613273.db2.gz KTXDIHLAAHBAHU-UHFFFAOYSA-N 1 0 319.405 2.723 20 5 DFBDRO COC[C@](C)([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000360071823 274052440 /nfs/dbraw/zinc/05/24/40/274052440.db2.gz LOSYIQOEAXIVBZ-GFCCVEGCSA-N 1 0 321.299 2.698 20 5 DFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])nc3)C2)CC1 ZINC000344444400 428645002 /nfs/dbraw/zinc/64/50/02/428645002.db2.gz YDQGVUPHZLGMPI-HNNXBMFYSA-N 1 0 318.421 2.938 20 5 DFBDRO CS[C@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000360075446 274186258 /nfs/dbraw/zinc/18/62/58/274186258.db2.gz UPOGQKKRUVEDFS-KBPBESRZSA-N 1 0 313.398 2.524 20 5 DFBDRO C[C@@H](CN1CCCC1=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192718997 274217229 /nfs/dbraw/zinc/21/72/29/274217229.db2.gz MDUANDWTBSUZDT-BLLLJJGKSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O)C1CCCC1 ZINC000172168533 274257847 /nfs/dbraw/zinc/25/78/47/274257847.db2.gz INKZAEBFQGEIDY-MLGOLLRUSA-N 1 0 317.389 2.868 20 5 DFBDRO CC1CC[NH+](C2CCC(Nc3c([N+](=O)[O-])ncn3C)CC2)CC1 ZINC000408437703 428660836 /nfs/dbraw/zinc/66/08/36/428660836.db2.gz XUERXSZDILFTBX-UHFFFAOYSA-N 1 0 321.425 2.783 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C[C@@H]1C[NH3+] ZINC000262552243 274304493 /nfs/dbraw/zinc/30/44/93/274304493.db2.gz SREOSCNYFCBKKI-NEPJUHHUSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1ccc(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1[N+](=O)[O-] ZINC000353714117 428673242 /nfs/dbraw/zinc/67/32/42/428673242.db2.gz PUWABIHOBJQMJZ-GOEBONIOSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)cc1[N+](=O)[O-] ZINC000344840505 428710260 /nfs/dbraw/zinc/71/02/60/428710260.db2.gz RIXKVKUAPUGZOL-HNNXBMFYSA-N 1 0 320.389 2.721 20 5 DFBDRO CSC[C@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344840306 428710928 /nfs/dbraw/zinc/71/09/28/428710928.db2.gz ZVXBQSDFTJTHSL-BCNIOPEESA-N 1 0 310.419 2.702 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000374611060 428712488 /nfs/dbraw/zinc/71/24/88/428712488.db2.gz ILJIRRAADJXCGR-HNNXBMFYSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344642946 428687978 /nfs/dbraw/zinc/68/79/78/428687978.db2.gz LXTZYJYOCYZZDL-HNNXBMFYSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CO)C2CC2)cc1[N+](=O)[O-] ZINC000353883913 428760787 /nfs/dbraw/zinc/76/07/87/428760787.db2.gz RDQPRLIIGGLSOC-BXUZGUMPSA-N 1 0 308.378 2.663 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(C(F)F)CC2)n1 ZINC000359000631 428769041 /nfs/dbraw/zinc/76/90/41/428769041.db2.gz JSGOUYPGAXUYQB-QWRGUYRKSA-N 1 0 314.336 2.910 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[N@@H+](CC)CC1 ZINC000353900741 428770571 /nfs/dbraw/zinc/77/05/71/428770571.db2.gz HGDZCSODGNGRDZ-UHFFFAOYSA-N 1 0 320.393 2.717 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000374893552 428777250 /nfs/dbraw/zinc/77/72/50/428777250.db2.gz LVOMMPALAWUARS-LBPRGKRZSA-N 1 0 315.377 2.962 20 5 DFBDRO Cc1cccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)c1[N+](=O)[O-] ZINC000374900699 428780010 /nfs/dbraw/zinc/78/00/10/428780010.db2.gz VKTNDOGZSNCYSR-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCC[C@@H]1O ZINC000348545715 428783969 /nfs/dbraw/zinc/78/39/69/428783969.db2.gz LBLKIKOKMJLWOX-RYUDHWBXSA-N 1 0 316.304 2.541 20 5 DFBDRO C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000362431037 428739842 /nfs/dbraw/zinc/73/98/42/428739842.db2.gz QMDGVZXSDDRKFN-AOOOYVTPSA-N 1 0 311.769 2.775 20 5 DFBDRO C[C@H]([NH2+][C@H]1COc2ccccc2[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000367307458 274530716 /nfs/dbraw/zinc/53/07/16/274530716.db2.gz IJSVEJOAHARCOY-KCTSRDHCSA-N 1 0 314.341 2.740 20 5 DFBDRO Cc1ccc(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000362618146 428794248 /nfs/dbraw/zinc/79/42/48/428794248.db2.gz WLXKXEBUXLBYKY-YCPHGPKFSA-N 1 0 317.389 2.522 20 5 DFBDRO CC(=O)c1ccc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])c1 ZINC000374987501 428795376 /nfs/dbraw/zinc/79/53/76/428795376.db2.gz LTRCDTISSAUWRI-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO CC(C)[C@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000362997875 428839528 /nfs/dbraw/zinc/83/95/28/428839528.db2.gz SXRJDHNXUKHTKU-CQSZACIVSA-N 1 0 324.356 2.538 20 5 DFBDRO CCCN(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000345365050 428860337 /nfs/dbraw/zinc/86/03/37/428860337.db2.gz RPPRJPJOQHGSKV-UHFFFAOYSA-N 1 0 322.409 2.651 20 5 DFBDRO O=C(CC[NH+]1CCC2(CC2)CC1)Nc1cc([N+](=O)[O-])ccc1F ZINC000375345675 428861248 /nfs/dbraw/zinc/86/12/48/428861248.db2.gz QJFZXKYOBVWWAY-UHFFFAOYSA-N 1 0 321.352 2.939 20 5 DFBDRO CCC[C@H]1C(=O)NCCN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000354102075 428863091 /nfs/dbraw/zinc/86/30/91/428863091.db2.gz YHQSRAPRCMBLGC-HNNXBMFYSA-N 1 0 319.405 2.819 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(SC)c([N+](=O)[O-])c1 ZINC000359215316 428870233 /nfs/dbraw/zinc/87/02/33/428870233.db2.gz FGJNACTXOUGBMK-GFCCVEGCSA-N 1 0 323.418 2.531 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000411945685 428889156 /nfs/dbraw/zinc/88/91/56/428889156.db2.gz KQFLHVNHZGVBCC-MEDUHNTESA-N 1 0 308.378 2.897 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115868 428924835 /nfs/dbraw/zinc/92/48/35/428924835.db2.gz FKVAZTGRXYGTNN-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000451776026 428971486 /nfs/dbraw/zinc/97/14/86/428971486.db2.gz SLHJYZSQMKDNSI-KGLIPLIRSA-N 1 0 306.362 2.725 20 5 DFBDRO Cc1cc(C2=CCN(CC[NH2+]C(C)C)CC2)cc([N+](=O)[O-])c1N ZINC000375668340 428936971 /nfs/dbraw/zinc/93/69/71/428936971.db2.gz FMEKUBUUHVSRSV-UHFFFAOYSA-N 1 0 318.421 2.573 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349202876 428938082 /nfs/dbraw/zinc/93/80/82/428938082.db2.gz QUJNNDWMHBQWTL-UFBFGSQYSA-N 1 0 322.283 2.567 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000345585763 428945983 /nfs/dbraw/zinc/94/59/83/428945983.db2.gz UUQUKKFAGLJJFR-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000412091969 428949945 /nfs/dbraw/zinc/94/99/45/428949945.db2.gz CQJVGRSUFHQFNI-INIZCTEOSA-N 1 0 306.362 2.678 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(NCCC[C@H]3CCC[NH2+]3)ccc2c1 ZINC000420271121 428954261 /nfs/dbraw/zinc/95/42/61/428954261.db2.gz KCKXDZLGQRUIPK-CYBMUJFWSA-N 1 0 300.362 3.087 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2NCCC[C@@H]1CCC[NH2+]1 ZINC000420271506 428954554 /nfs/dbraw/zinc/95/45/54/428954554.db2.gz CSVNYKZVKZNCIM-LBPRGKRZSA-N 1 0 300.362 3.087 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(F)(F)F ZINC000349285770 428956397 /nfs/dbraw/zinc/95/63/97/428956397.db2.gz SMNOGHFFARXFKV-MFKMUULPSA-N 1 0 320.311 2.819 20 5 DFBDRO COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000349293635 428956579 /nfs/dbraw/zinc/95/65/79/428956579.db2.gz GBZRYZZYGNONRT-NSHDSACASA-N 1 0 320.345 2.676 20 5 DFBDRO CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632521 428957527 /nfs/dbraw/zinc/95/75/27/428957527.db2.gz FAAKSMIJCBRODV-IAGOWNOFSA-N 1 0 317.389 2.570 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000412109716 428958555 /nfs/dbraw/zinc/95/85/55/428958555.db2.gz UOJWCDVYSNUZAA-LRDDRELGSA-N 1 0 306.362 2.931 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](CO)CC(C)(C)C ZINC000451774181 428970239 /nfs/dbraw/zinc/97/02/39/428970239.db2.gz AXMRRJPIWYBNDR-AWEZNQCLSA-N 1 0 310.394 2.703 20 5 DFBDRO COc1cc(C[N@H+](C)[C@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451784661 428973486 /nfs/dbraw/zinc/97/34/86/428973486.db2.gz DVQHLEWGXDGHLX-ZDUSSCGKSA-N 1 0 310.394 2.832 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423596505 428977513 /nfs/dbraw/zinc/97/75/13/428977513.db2.gz RRUMMKONAAAFEI-QWHCGFSZSA-N 1 0 305.378 2.718 20 5 DFBDRO COC1([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421398599 428995191 /nfs/dbraw/zinc/99/51/91/428995191.db2.gz GQUZKOWRPOLLFP-DYLGSBMWSA-N 1 0 320.389 2.782 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451869686 429002806 /nfs/dbraw/zinc/00/28/06/429002806.db2.gz SDYWKJJLTWEEOH-HZPDHXFCSA-N 1 0 320.389 2.993 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1CCOCC1)CCO2 ZINC000433199223 429008897 /nfs/dbraw/zinc/00/88/97/429008897.db2.gz KFSITZBKAGRECF-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO O=[N+]([O-])c1c(NC[C@@H]2CCCC[N@@H+]2C2CC2)nc2sccn21 ZINC000433821570 429052996 /nfs/dbraw/zinc/05/29/96/429052996.db2.gz PLQWDKUAIPAMLI-NSHDSACASA-N 1 0 321.406 2.733 20 5 DFBDRO COC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000452092197 429054774 /nfs/dbraw/zinc/05/47/74/429054774.db2.gz UDKXQANVGJASCS-LBPRGKRZSA-N 1 0 319.361 2.985 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000376155756 429066870 /nfs/dbraw/zinc/06/68/70/429066870.db2.gz FQLOXOZCBKIUSY-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452135698 429067623 /nfs/dbraw/zinc/06/76/23/429067623.db2.gz WIFPGFUNLLRDCO-CQSZACIVSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000423971436 429067783 /nfs/dbraw/zinc/06/77/83/429067783.db2.gz KIFNJVGITFOOAC-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423989010 429071129 /nfs/dbraw/zinc/07/11/29/429071129.db2.gz BAYLARUKKXGAFB-JSGCOSHPSA-N 1 0 319.405 2.775 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CCCc2nccn21)c1ccc([N+](=O)[O-])cc1 ZINC000452185619 429081737 /nfs/dbraw/zinc/08/17/37/429081737.db2.gz QBWHBSRJQUEQES-FZMZJTMJSA-N 1 0 314.345 2.546 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)ccc1[N+](=O)[O-] ZINC000494688798 429143288 /nfs/dbraw/zinc/14/32/88/429143288.db2.gz ILUVONBSERSDMK-OAHLLOKOSA-N 1 0 320.389 2.994 20 5 DFBDRO CCOc1ccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000423502989 429101613 /nfs/dbraw/zinc/10/16/13/429101613.db2.gz DKJJLKNRKJYXNX-IIYDPXPESA-N 1 0 321.421 2.971 20 5 DFBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2ccc([N+](=O)[O-])n2)C1(CC)CC ZINC000434983661 429117952 /nfs/dbraw/zinc/11/79/52/429117952.db2.gz SOIRLKPCNRWHTE-KGLIPLIRSA-N 1 0 324.425 2.707 20 5 DFBDRO O=[N+]([O-])c1cnc(NCCC[NH+]2CCCC2)c(C(F)(F)F)c1 ZINC000413032813 429124106 /nfs/dbraw/zinc/12/41/06/429124106.db2.gz LDMOWUVIMSJFHT-UHFFFAOYSA-N 1 0 318.299 2.906 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000424327245 429126242 /nfs/dbraw/zinc/12/62/42/429126242.db2.gz ZVCHOZLCSIRSKY-LYRGGWFBSA-N 1 0 316.361 2.509 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413060749 429129455 /nfs/dbraw/zinc/12/94/55/429129455.db2.gz LNPNNGMANDDOBU-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452576562 429129655 /nfs/dbraw/zinc/12/96/55/429129655.db2.gz UFWXNDQUOQRLQJ-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO C[NH+](C)CC1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413067882 429130927 /nfs/dbraw/zinc/13/09/27/429130927.db2.gz XEYAQXWYGCDDSR-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CCN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000494844359 429159673 /nfs/dbraw/zinc/15/96/73/429159673.db2.gz AXJZXNNTYPPSQT-UHFFFAOYSA-N 1 0 319.327 2.959 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301751704 275033560 /nfs/dbraw/zinc/03/35/60/275033560.db2.gz VDASOEWGWFYYJP-CYZMBNFOSA-N 1 0 322.796 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000361654277 275035873 /nfs/dbraw/zinc/03/58/73/275035873.db2.gz ZSCMZVZVRPCMPK-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000375747957 275035901 /nfs/dbraw/zinc/03/59/01/275035901.db2.gz FRTRWOXGAHPTSH-FPMFFAJLSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000369019573 275042034 /nfs/dbraw/zinc/04/20/34/275042034.db2.gz QNHPIGOQAGVNOB-OAHLLOKOSA-N 1 0 300.362 2.671 20 5 DFBDRO Cc1cc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cs1 ZINC000364333789 429186283 /nfs/dbraw/zinc/18/62/83/429186283.db2.gz CYARUBQTILWJHX-LBPRGKRZSA-N 1 0 306.391 2.651 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746586 429195793 /nfs/dbraw/zinc/19/57/93/429195793.db2.gz NKYYYPVJVBENQF-MISXGVKJSA-N 1 0 324.812 2.810 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416333 429197999 /nfs/dbraw/zinc/19/79/99/429197999.db2.gz LMSFZZMGAYZQAW-MNOVXSKESA-N 1 0 323.780 2.605 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000364416334 429199180 /nfs/dbraw/zinc/19/91/80/429199180.db2.gz LMSFZZMGAYZQAW-QWRGUYRKSA-N 1 0 323.780 2.605 20 5 DFBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCO[C@@H]1C ZINC000489457808 429244464 /nfs/dbraw/zinc/24/44/64/429244464.db2.gz AFZKGGPIKDDUBI-CZUORRHYSA-N 1 0 308.378 2.529 20 5 DFBDRO Cc1cc(N2CC[C@H](c3nnc[nH]3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000425286878 429257948 /nfs/dbraw/zinc/25/79/48/429257948.db2.gz RFIZJSQINMBZKG-NSHDSACASA-N 1 0 324.344 2.563 20 5 DFBDRO CC[N@@H+]1CC[C@@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000443971205 429260008 /nfs/dbraw/zinc/26/00/08/429260008.db2.gz VLARJRKAJUIAGD-ZDUSSCGKSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425554849 429322156 /nfs/dbraw/zinc/32/21/56/429322156.db2.gz WYMBDORIIWLSGY-RYUDHWBXSA-N 1 0 301.350 2.572 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC[C@H]1C ZINC000449079291 429326179 /nfs/dbraw/zinc/32/61/79/429326179.db2.gz OHMWVDAMISZCBM-LSDHHAIUSA-N 1 0 305.422 2.990 20 5 DFBDRO Cc1noc(C)c1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449128578 429337870 /nfs/dbraw/zinc/33/78/70/429337870.db2.gz SOAHVRGSLFVJRI-LLVKDONJSA-N 1 0 303.362 2.963 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)c1cccc(F)c1 ZINC000449140633 429341380 /nfs/dbraw/zinc/34/13/80/429341380.db2.gz JMOHVLYZLWOBCE-MLGOLLRUSA-N 1 0 318.348 2.988 20 5 DFBDRO COc1cc(N2CCC[C@H](c3nccn3C)C2)ccc1[N+](=O)[O-] ZINC000365562173 429342706 /nfs/dbraw/zinc/34/27/06/429342706.db2.gz ZHVOKILQGNXQQK-LBPRGKRZSA-N 1 0 316.361 2.721 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000446044326 429295381 /nfs/dbraw/zinc/29/53/81/429295381.db2.gz VFLHFUZDNVCOAL-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000449164938 429347326 /nfs/dbraw/zinc/34/73/26/429347326.db2.gz RYJAUTHYBPVFAG-WXYCVUISSA-N 1 0 304.390 2.929 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426462905 429392421 /nfs/dbraw/zinc/39/24/21/429392421.db2.gz WIYWJDZBUUWLGG-WFASDCNBSA-N 1 0 303.362 2.716 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000426504814 429398433 /nfs/dbraw/zinc/39/84/33/429398433.db2.gz PUDHVVCJEPQZJH-GQPJMJRUSA-N 1 0 302.374 2.845 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000449178781 429350623 /nfs/dbraw/zinc/35/06/23/429350623.db2.gz UPKKEVYGBLLJBX-CZUORRHYSA-N 1 0 323.462 2.553 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194635 429354371 /nfs/dbraw/zinc/35/43/71/429354371.db2.gz VAURTIBPDHEAAS-IIAWOOMASA-N 1 0 305.422 2.844 20 5 DFBDRO CCc1nn(C)c(NCC2([NH+](C)C)CCCCCC2)c1[N+](=O)[O-] ZINC000512904294 429360076 /nfs/dbraw/zinc/36/00/76/429360076.db2.gz QOQHJTGLTILNCR-UHFFFAOYSA-N 1 0 323.441 2.957 20 5 DFBDRO CC1=CCN(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449241527 429364643 /nfs/dbraw/zinc/36/46/43/429364643.db2.gz BOHLRGOBABSXRA-OAHLLOKOSA-N 1 0 303.406 2.767 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000449505965 429438399 /nfs/dbraw/zinc/43/83/99/429438399.db2.gz KDUHBZRGBVYIKG-XHBKTUGNSA-N 1 0 318.417 2.913 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449514533 429439347 /nfs/dbraw/zinc/43/93/47/429439347.db2.gz WLOFBSXGYGVSEF-CFVMTHIKSA-N 1 0 320.389 2.847 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000449526120 429443212 /nfs/dbraw/zinc/44/32/12/429443212.db2.gz YYTLZJPVZSZEDV-LTPTVGFGSA-N 1 0 301.390 2.634 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000449526121 429444747 /nfs/dbraw/zinc/44/47/47/429444747.db2.gz YYTLZJPVZSZEDV-UJEYXKBXSA-N 1 0 301.390 2.634 20 5 DFBDRO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000427353827 429445711 /nfs/dbraw/zinc/44/57/11/429445711.db2.gz CVCIEUXOGMZVTF-OLZOCXBDSA-N 1 0 305.378 2.552 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449579516 429453356 /nfs/dbraw/zinc/45/33/56/429453356.db2.gz GWQIGZPHLXYUJF-KGLIPLIRSA-N 1 0 306.362 2.725 20 5 DFBDRO CC(C)[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1nncn1C ZINC000285453408 275704586 /nfs/dbraw/zinc/70/45/86/275704586.db2.gz JFIVGWRRGFURNJ-VFADXPBXSA-N 1 0 315.377 2.723 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CCN(Cc1cnc(C3CC3)nc1)C2 ZINC000519526466 429461628 /nfs/dbraw/zinc/46/16/28/429461628.db2.gz SULGYTLJSMYBDV-UHFFFAOYSA-N 1 0 310.357 2.821 20 5 DFBDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000457211937 429427031 /nfs/dbraw/zinc/42/70/31/429427031.db2.gz SIBDORYCHJLUHI-UHFFFAOYSA-N 1 0 321.421 2.962 20 5 DFBDRO COC1([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000520792094 429528561 /nfs/dbraw/zinc/52/85/61/429528561.db2.gz GYSSBWFNBSBANF-ZDUSSCGKSA-N 1 0 308.378 2.911 20 5 DFBDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449711608 429487268 /nfs/dbraw/zinc/48/72/68/429487268.db2.gz FEEUKFZQITWOOJ-GDBMZVCRSA-N 1 0 308.378 2.612 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004332 429570297 /nfs/dbraw/zinc/57/02/97/429570297.db2.gz FINXYGVHPIVNNF-KEYYUXOJSA-N 1 0 303.406 2.757 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2csc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429002861 429571317 /nfs/dbraw/zinc/57/13/17/429571317.db2.gz WAWYOOJGUYZUIQ-BZPMIXESSA-N 1 0 309.435 2.818 20 5 DFBDRO C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000429035345 429575103 /nfs/dbraw/zinc/57/51/03/429575103.db2.gz LQESGOSDBQWBIK-IIYDPXPESA-N 1 0 321.396 2.896 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1nccc2c1cccc2[N+](=O)[O-] ZINC000450250581 429585965 /nfs/dbraw/zinc/58/59/65/429585965.db2.gz LOJUINBZKDQNRZ-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DFBDRO COc1cc(CN2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000429535645 429615086 /nfs/dbraw/zinc/61/50/86/429615086.db2.gz CKQNOCCISMJSQB-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CC1=CC[N@H+](CCNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000450439961 429627018 /nfs/dbraw/zinc/62/70/18/429627018.db2.gz PKYOSIOBMIAQCG-UHFFFAOYSA-N 1 0 312.373 3.207 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000450550973 429646217 /nfs/dbraw/zinc/64/62/17/429646217.db2.gz ZEPXDXFQJTWRJO-LBPRGKRZSA-N 1 0 317.389 2.718 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)nc1 ZINC000450556591 429647331 /nfs/dbraw/zinc/64/73/31/429647331.db2.gz AYOMREOPJUJTOZ-LLVKDONJSA-N 1 0 312.320 2.521 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450329289 429600440 /nfs/dbraw/zinc/60/04/40/429600440.db2.gz QLLGDYHVVWGDBQ-LLVKDONJSA-N 1 0 318.402 2.859 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000429547937 429614484 /nfs/dbraw/zinc/61/44/84/429614484.db2.gz KQXFJFGIWFUOJU-CYBMUJFWSA-N 1 0 319.361 2.786 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CCC(OC)CC1 ZINC000430202932 429663731 /nfs/dbraw/zinc/66/37/31/429663731.db2.gz DUBITHJNMUISAO-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000430219002 429664266 /nfs/dbraw/zinc/66/42/66/429664266.db2.gz KGABKFAAFDBDBL-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000430245037 429667879 /nfs/dbraw/zinc/66/78/79/429667879.db2.gz ZRMGUBICKKZJQA-QGZVFWFLSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1ccc(CCC[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000525985642 429690664 /nfs/dbraw/zinc/69/06/64/429690664.db2.gz QTWVORMQBMHMLM-UHFFFAOYSA-N 1 0 315.373 2.899 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000110560673 276323868 /nfs/dbraw/zinc/32/38/68/276323868.db2.gz LGAACWOLKJSTKR-CQSZACIVSA-N 1 0 307.394 2.532 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430579298 429695490 /nfs/dbraw/zinc/69/54/90/429695490.db2.gz CCFBIQWRMXMKLT-GFCCVEGCSA-N 1 0 306.366 2.541 20 5 DFBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)ncc1[N+](=O)[O-] ZINC000470863137 429711659 /nfs/dbraw/zinc/71/16/59/429711659.db2.gz RLXRYGGLWQMFCY-HNNXBMFYSA-N 1 0 320.437 3.467 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000450952819 429738297 /nfs/dbraw/zinc/73/82/97/429738297.db2.gz VLRDPFKVGDYFJK-UHFFFAOYSA-N 1 0 309.395 2.590 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH2+]CC12CCCCC2 ZINC000431079693 429740464 /nfs/dbraw/zinc/74/04/64/429740464.db2.gz BHMZBZKXIPFKNO-UHFFFAOYSA-N 1 0 319.405 2.582 20 5 DFBDRO CC(C)[C@@H]1[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127120 429743230 /nfs/dbraw/zinc/74/32/30/429743230.db2.gz IVHUUJZRVSEPFM-BBRMVZONSA-N 1 0 322.405 2.701 20 5 DFBDRO CC(C)[C@@H]1[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000431127123 429744188 /nfs/dbraw/zinc/74/41/88/429744188.db2.gz IVHUUJZRVSEPFM-CJNGLKHVSA-N 1 0 322.405 2.701 20 5 DFBDRO Cc1cccc2c1CC(C)(C)[N@H+](CCn1cc([N+](=O)[O-])cn1)C2 ZINC000451260222 429796996 /nfs/dbraw/zinc/79/69/96/429796996.db2.gz JFERPJZUHATTOF-UHFFFAOYSA-N 1 0 314.389 2.937 20 5 DFBDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000451262319 429798775 /nfs/dbraw/zinc/79/87/75/429798775.db2.gz XJTPYSBGLJSPRK-CJNGLKHVSA-N 1 0 322.405 2.975 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000451263709 429799381 /nfs/dbraw/zinc/79/93/81/429799381.db2.gz IGYIQCYLTHRAMK-KBPBESRZSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000432142372 429804565 /nfs/dbraw/zinc/80/45/65/429804565.db2.gz DUFSOEQFXJDKIQ-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])CC[N@@H+]1C ZINC000487042396 429762473 /nfs/dbraw/zinc/76/24/73/429762473.db2.gz IKZLIDCGZFGJFH-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451507276 429839167 /nfs/dbraw/zinc/83/91/67/429839167.db2.gz VPYNRZYDJKJKFM-VQISRLSMSA-N 1 0 306.337 2.781 20 5 DFBDRO CCO[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451521109 429840354 /nfs/dbraw/zinc/84/03/54/429840354.db2.gz CUJCBMNEWWJQNO-BBRMVZONSA-N 1 0 308.378 2.721 20 5 DFBDRO CCOCC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451543152 429848183 /nfs/dbraw/zinc/84/81/83/429848183.db2.gz BAIYRUVQOKQDTI-DOTOQJQBSA-N 1 0 322.405 2.562 20 5 DFBDRO Nc1ncccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451550062 429851057 /nfs/dbraw/zinc/85/10/57/429851057.db2.gz QRPONHYSPZTRJR-CQSZACIVSA-N 1 0 312.373 2.952 20 5 DFBDRO COc1cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)ccc1[N+](=O)[O-] ZINC000451598830 429860979 /nfs/dbraw/zinc/86/09/79/429860979.db2.gz PFFAHBYWYBYVAL-WMLDXEAASA-N 1 0 324.421 2.982 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451645657 429866617 /nfs/dbraw/zinc/86/66/17/429866617.db2.gz BNBYYWPGRAEJDW-AWEZNQCLSA-N 1 0 308.403 2.931 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCn2ccnc21 ZINC000368219575 429810101 /nfs/dbraw/zinc/81/01/01/429810101.db2.gz KQWCGPVEUFTNTR-CQSZACIVSA-N 1 0 300.362 2.767 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1NCCCC[NH+]1CCOCC1 ZINC000432335506 429814317 /nfs/dbraw/zinc/81/43/17/429814317.db2.gz MSVAWEGTPPYTHJ-UHFFFAOYSA-N 1 0 313.785 2.773 20 5 DFBDRO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670614 429884995 /nfs/dbraw/zinc/88/49/95/429884995.db2.gz FGHMPIMFPISTHR-IRXDYDNUSA-N 1 0 317.389 2.570 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000368820564 429896575 /nfs/dbraw/zinc/89/65/75/429896575.db2.gz BHCPJTMOJYTSPS-UHFFFAOYSA-N 1 0 320.393 2.790 20 5 DFBDRO Cc1c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)cccc1[N+](=O)[O-] ZINC000368839660 429898100 /nfs/dbraw/zinc/89/81/00/429898100.db2.gz XOJHNVUHACMHBW-WQVCFCJDSA-N 1 0 317.389 2.522 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000369232786 429920805 /nfs/dbraw/zinc/92/08/05/429920805.db2.gz ZLHGAJFTLQPCAD-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC23CCOCC3)c1 ZINC000368575416 429870141 /nfs/dbraw/zinc/87/01/41/429870141.db2.gz HUNOSEVZBVBVMC-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)CC1CCCC1 ZINC000574444007 430042775 /nfs/dbraw/zinc/04/27/75/430042775.db2.gz SQZIKTWYMDOTTR-OAHLLOKOSA-N 1 0 308.378 2.634 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000573918214 429994334 /nfs/dbraw/zinc/99/43/34/429994334.db2.gz SKPOXMUTUPXYRI-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574146699 430014656 /nfs/dbraw/zinc/01/46/56/430014656.db2.gz FKQHKTUFMBGDQQ-CJNGLKHVSA-N 1 0 319.405 2.689 20 5 DFBDRO CCCC[C@H](C)[N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562058828 430107166 /nfs/dbraw/zinc/10/71/66/430107166.db2.gz SNWMUPRJORJLQX-UONOGXRCSA-N 1 0 310.394 2.845 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000249034475 277092506 /nfs/dbraw/zinc/09/25/06/277092506.db2.gz FTULDJKZNFYGIE-LALPHHSUSA-N 1 0 306.362 2.787 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000269085051 277156483 /nfs/dbraw/zinc/15/64/83/277156483.db2.gz HQLSOEMMROETBA-GXFFZTMASA-N 1 0 310.785 2.564 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc4cc([N+](=O)[O-])ccc4n3)[C@H]2C1 ZINC000376484444 277178431 /nfs/dbraw/zinc/17/84/31/277178431.db2.gz NEVOHOHBELWMAW-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000286471981 277228021 /nfs/dbraw/zinc/22/80/21/277228021.db2.gz NTMLFNNSPAYGFO-OAHLLOKOSA-N 1 0 319.405 2.518 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178285760 277277952 /nfs/dbraw/zinc/27/79/52/277277952.db2.gz ZZBPKCXBAHNGDI-LBPRGKRZSA-N 1 0 319.386 2.634 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476540 430264644 /nfs/dbraw/zinc/26/46/44/430264644.db2.gz ZNVUNLSNNDVCMU-DAXOMENPSA-N 1 0 303.406 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000544384184 430281989 /nfs/dbraw/zinc/28/19/89/430281989.db2.gz GKZFVWGFGDIWAV-SNVBAGLBSA-N 1 0 302.334 2.558 20 5 DFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000542912573 430233045 /nfs/dbraw/zinc/23/30/45/430233045.db2.gz NBGQZPQFGDBKNH-KRWDZBQOSA-N 1 0 316.357 2.605 20 5 DFBDRO Cc1nc2n(n1)CCC[C@H]2N[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000582796397 430336660 /nfs/dbraw/zinc/33/66/60/430336660.db2.gz OLNAOFSCGDERKB-ZIAGYGMSSA-N 1 0 313.361 2.607 20 5 DFBDRO CC(=O)c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000568310918 430346432 /nfs/dbraw/zinc/34/64/32/430346432.db2.gz AFEUGPWPQKVMQP-LBPRGKRZSA-N 1 0 303.362 2.694 20 5 DFBDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000279154159 277569951 /nfs/dbraw/zinc/56/99/51/277569951.db2.gz ZDERIQOFCMNDTO-TZMCWYRMSA-N 1 0 314.769 2.532 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583035961 430358335 /nfs/dbraw/zinc/35/83/35/430358335.db2.gz ZKLMLSCYBCYFLC-ZDUSSCGKSA-N 1 0 305.378 2.526 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)c1 ZINC000568626043 430376304 /nfs/dbraw/zinc/37/63/04/430376304.db2.gz MOEPZIKNBAEEIG-WMLDXEAASA-N 1 0 320.389 2.865 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000548453552 430477984 /nfs/dbraw/zinc/47/79/84/430477984.db2.gz RJBNXAJAOZWUKR-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc2ccccc2c2cccnc12 ZINC000638781145 430432716 /nfs/dbraw/zinc/43/27/16/430432716.db2.gz WICSYLAFHIJQJO-YVEFUNNKSA-N 1 0 305.381 2.868 20 5 DFBDRO O=C(CC[NH2+]Cc1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] ZINC000548825397 430503927 /nfs/dbraw/zinc/50/39/27/430503927.db2.gz RFGKPODGBONSJI-UHFFFAOYSA-N 1 0 317.320 2.852 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000552836620 430601750 /nfs/dbraw/zinc/60/17/50/430601750.db2.gz MCDHYNXIWVCWPG-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](c3cccnc3)C2)c1 ZINC000570840198 430580822 /nfs/dbraw/zinc/58/08/22/430580822.db2.gz XLAZIIPUPVGSIQ-HNNXBMFYSA-N 1 0 313.357 2.858 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](c3cccnc3)C2)c1 ZINC000570840199 430581433 /nfs/dbraw/zinc/58/14/33/430581433.db2.gz XLAZIIPUPVGSIQ-OAHLLOKOSA-N 1 0 313.357 2.858 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000616059683 430583162 /nfs/dbraw/zinc/58/31/62/430583162.db2.gz VVVCRTORMNQYMT-CQSZACIVSA-N 1 0 314.389 3.429 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H](C)C2CC2)cccc1[N+](=O)[O-] ZINC000552493856 430598365 /nfs/dbraw/zinc/59/83/65/430598365.db2.gz MXYLNCPNNDSIQK-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552851980 430603804 /nfs/dbraw/zinc/60/38/04/430603804.db2.gz AVTXZIARRBOIFM-NFAWXSAZSA-N 1 0 308.378 2.503 20 5 DFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192886065 278160004 /nfs/dbraw/zinc/16/00/04/278160004.db2.gz HTXJLEOGADBMHO-COLVAYQJSA-N 1 0 310.419 2.674 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301411400 278246499 /nfs/dbraw/zinc/24/64/99/278246499.db2.gz KHPNYFYALHPDRO-RISCZKNCSA-N 1 0 305.378 2.716 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000267546112 278246626 /nfs/dbraw/zinc/24/66/26/278246626.db2.gz CSNACRYOKSYECW-BXUZGUMPSA-N 1 0 305.378 2.574 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c([N+](=O)[O-])c1 ZINC000269076194 278246873 /nfs/dbraw/zinc/24/68/73/278246873.db2.gz BVNBYTOQWFGVCY-HUUCEWRRSA-N 1 0 317.389 2.718 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000299075901 278259445 /nfs/dbraw/zinc/25/94/45/278259445.db2.gz HEWXHAIKLSCPTJ-QWRGUYRKSA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262344711 278313287 /nfs/dbraw/zinc/31/32/87/278313287.db2.gz URKNOBATWFACIA-VXGBXAGGSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1 ZINC000237347717 278358908 /nfs/dbraw/zinc/35/89/08/278358908.db2.gz DOUSRSHQGTYHSQ-LLVKDONJSA-N 1 0 314.345 2.936 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068826 288075389 /nfs/dbraw/zinc/07/53/89/288075389.db2.gz BIHULIPOQNEBDS-DOMZBBRYSA-N 1 0 307.394 2.891 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000301596931 278801893 /nfs/dbraw/zinc/80/18/93/278801893.db2.gz GLXATEUGKBCPRS-RNCFNFMXSA-N 1 0 317.311 3.000 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286461708 278970776 /nfs/dbraw/zinc/97/07/76/278970776.db2.gz VADRQTTXMHSKBN-PWSUYJOCSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055748217 279322883 /nfs/dbraw/zinc/32/28/83/279322883.db2.gz STRKNMUFGUSNRV-MGPQQGTHSA-N 1 0 319.405 2.691 20 5 DFBDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279124643 279376884 /nfs/dbraw/zinc/37/68/84/279376884.db2.gz QJUVDTOGTCJCSR-LHZHGFSSSA-N 1 0 310.419 2.674 20 5 DFBDRO C[C@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000301596932 279881624 /nfs/dbraw/zinc/88/16/24/279881624.db2.gz GLXATEUGKBCPRS-TVQRCGJNSA-N 1 0 317.311 3.000 20 5 DFBDRO O=C(N[C@H]1CCC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000237887968 279953234 /nfs/dbraw/zinc/95/32/34/279953234.db2.gz YBBHOLYQBQEQOW-AWEZNQCLSA-N 1 0 305.381 2.870 20 5 DFBDRO CCOc1cccc(N2CCC([C@@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000261866125 279971539 /nfs/dbraw/zinc/97/15/39/279971539.db2.gz KTTOUCVJLIPXRJ-AWEZNQCLSA-N 1 0 319.405 2.962 20 5 DFBDRO O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186518216 280183984 /nfs/dbraw/zinc/18/39/84/280183984.db2.gz WWRLJJZGKZDMPA-LLVKDONJSA-N 1 0 323.780 2.605 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272347 280188642 /nfs/dbraw/zinc/18/86/42/280188642.db2.gz VVUGLXQFVLRSNQ-RHSMWYFYSA-N 1 0 321.421 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000271787767 280362938 /nfs/dbraw/zinc/36/29/38/280362938.db2.gz PZXWAZDTVBZJLJ-KRWDZBQOSA-N 1 0 300.358 2.851 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCS2)n1 ZINC000331571276 280377167 /nfs/dbraw/zinc/37/71/67/280377167.db2.gz IQYINFFFHWXEAR-RWMBFGLXSA-N 1 0 310.423 2.760 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000301452606 280551166 /nfs/dbraw/zinc/55/11/66/280551166.db2.gz UVGLNNOLUCWHAB-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1cc(N2CC[C@H](C)[C@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302100180 280572918 /nfs/dbraw/zinc/57/29/18/280572918.db2.gz UUXORTHKOGDOSB-MGPLVRAMSA-N 1 0 301.346 2.659 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000162863618 280662761 /nfs/dbraw/zinc/66/27/61/280662761.db2.gz KLGSDGBKUXQVGR-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000178234707 281011200 /nfs/dbraw/zinc/01/12/00/281011200.db2.gz NTRVBGPYNPNDFT-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332341365 281019622 /nfs/dbraw/zinc/01/96/22/281019622.db2.gz QZQUHAFCFVSLMO-CHWSQXEVSA-N 1 0 315.377 2.962 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2CC(C)C)c1[N+](=O)[O-] ZINC000124994837 281194039 /nfs/dbraw/zinc/19/40/39/281194039.db2.gz BJZONSXJNRSRDZ-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000299263784 281194049 /nfs/dbraw/zinc/19/40/49/281194049.db2.gz ZTSHRGFQEZBZSN-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO C[C@H]([NH3+])CCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415690557 289120768 /nfs/dbraw/zinc/12/07/68/289120768.db2.gz FCKOCWVAOFIPAY-JTQLQIEISA-N 1 0 308.382 2.751 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N[C@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415703249 289122029 /nfs/dbraw/zinc/12/20/29/289122029.db2.gz QMCQKDHKBOTQCY-CYBMUJFWSA-N 1 0 320.393 2.751 20 5 DFBDRO C[NH2+]CCCNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415708587 289122106 /nfs/dbraw/zinc/12/21/06/289122106.db2.gz XHEQFWCJBZBKQM-UHFFFAOYSA-N 1 0 308.382 2.623 20 5 DFBDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415706901 289122227 /nfs/dbraw/zinc/12/22/27/289122227.db2.gz VHIMZMLWKRGZDX-NXEZZACHSA-N 1 0 308.382 2.750 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415760004 289131917 /nfs/dbraw/zinc/13/19/17/289131917.db2.gz JMDDGIHKAFOWDG-CYBMUJFWSA-N 1 0 320.393 2.811 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415764525 289132687 /nfs/dbraw/zinc/13/26/87/289132687.db2.gz PRPOWETVGHYDLJ-WCQYABFASA-N 1 0 320.393 2.667 20 5 DFBDRO C[NH+](C)CCN(Cc1ccco1)Cc1cccc([N+](=O)[O-])c1 ZINC000289420926 289149630 /nfs/dbraw/zinc/14/96/30/289149630.db2.gz JEMXIUBYPGQZGQ-UHFFFAOYSA-N 1 0 303.362 2.752 20 5 DFBDRO C[C@@H]1[C@@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000436362802 297000005 /nfs/dbraw/zinc/00/00/05/297000005.db2.gz QDTVVRQVHWJWIA-BDAKNGLRSA-N 1 0 318.299 2.903 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NC[C@H]1CCCC[N@@H+]1C1CC1)CCN2 ZINC000436428973 297002717 /nfs/dbraw/zinc/00/27/17/297002717.db2.gz LEBGCOJSGCTWOX-CYBMUJFWSA-N 1 0 316.405 2.992 20 5 DFBDRO [NH3+]C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000044559559 295266114 /nfs/dbraw/zinc/26/61/14/295266114.db2.gz RNWCFJBSHAVNHZ-SNVBAGLBSA-N 1 0 303.284 2.931 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000086471296 297114597 /nfs/dbraw/zinc/11/45/97/297114597.db2.gz RWNAFMHTYZISAO-DTWKUNHWSA-N 1 0 314.183 2.544 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000441192537 297174883 /nfs/dbraw/zinc/17/48/83/297174883.db2.gz DTVQXKKJYNEYOW-CABCVRRESA-N 1 0 320.389 2.722 20 5 DFBDRO COC(=O)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441208568 297175686 /nfs/dbraw/zinc/17/56/86/297175686.db2.gz MFINHYZVXHMFKI-LBPRGKRZSA-N 1 0 306.362 2.931 20 5 DFBDRO O=C1CCN1c1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000441219538 297176098 /nfs/dbraw/zinc/17/60/98/297176098.db2.gz QDOAHBAFDPTFEJ-UHFFFAOYSA-N 1 0 311.341 2.621 20 5 DFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000441265628 297177618 /nfs/dbraw/zinc/17/76/18/297177618.db2.gz ZOLXMGVHOXTGQI-OCCSQVGLSA-N 1 0 304.350 2.518 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000441280033 297178040 /nfs/dbraw/zinc/17/80/40/297178040.db2.gz BZNGRXPAIBWUMY-LSDHHAIUSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000443954520 297229053 /nfs/dbraw/zinc/22/90/53/297229053.db2.gz CSEQEBLNFCIIQT-AAEUAGOBSA-N 1 0 320.393 2.816 20 5 DFBDRO C[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO[C@@H]1C1CC1 ZINC000444688334 297245193 /nfs/dbraw/zinc/24/51/93/297245193.db2.gz JDVHREWUKQMCRY-CVEARBPZSA-N 1 0 316.361 2.518 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000444750195 297248788 /nfs/dbraw/zinc/24/87/88/297248788.db2.gz YZSFRYGZVGJPBN-GDBMZVCRSA-N 1 0 322.405 2.703 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444775365 297250616 /nfs/dbraw/zinc/25/06/16/297250616.db2.gz ICOBVNJEPWOIER-INIZCTEOSA-N 1 0 318.377 2.598 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447516098 297306198 /nfs/dbraw/zinc/30/61/98/297306198.db2.gz MZHVSPGSTWTWIC-KRWDZBQOSA-N 1 0 317.389 2.573 20 5 DFBDRO CCN(CC)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536558 297307116 /nfs/dbraw/zinc/30/71/16/297307116.db2.gz OJPWGTPTZNYANC-SOUVJXGZSA-N 1 0 323.441 2.595 20 5 DFBDRO CCCCOCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447564752 297308706 /nfs/dbraw/zinc/30/87/06/297308706.db2.gz ZAXRTQOGYOFRSE-UONOGXRCSA-N 1 0 310.398 2.681 20 5 DFBDRO C[C@@H](CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)[NH+]1CCCCC1 ZINC000447688737 297313085 /nfs/dbraw/zinc/31/30/85/297313085.db2.gz HXDKTXAEKNYPKO-LBPRGKRZSA-N 1 0 317.393 2.569 20 5 DFBDRO CC(C)[NH+](CCCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1)C(C)C ZINC000447687218 297313097 /nfs/dbraw/zinc/31/30/97/297313097.db2.gz TUQOUQDOYLDMPR-UHFFFAOYSA-N 1 0 319.409 2.814 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(CO)c1 ZINC000449126063 297409555 /nfs/dbraw/zinc/40/95/55/297409555.db2.gz KXUAJNWQGZHISY-ZDUSSCGKSA-N 1 0 300.358 2.808 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N(C)C)n1 ZINC000449204748 297422377 /nfs/dbraw/zinc/42/23/77/297422377.db2.gz JIHWGIXGRYHUHH-ZDUSSCGKSA-N 1 0 314.389 2.777 20 5 DFBDRO CO[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449449936 297469158 /nfs/dbraw/zinc/46/91/58/297469158.db2.gz ALTKUGCHLVWHPD-YOEHRIQHSA-N 1 0 322.405 2.859 20 5 DFBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449636571 297504007 /nfs/dbraw/zinc/50/40/07/297504007.db2.gz DOSOLGFHOHRQDO-VXGBXAGGSA-N 1 0 318.320 2.835 20 5 DFBDRO COc1cccnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449747618 297526267 /nfs/dbraw/zinc/52/62/67/297526267.db2.gz JQRMGRNERPRHMC-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO CCc1cc(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)cc[nH+]1 ZINC000450484313 297639605 /nfs/dbraw/zinc/63/96/05/297639605.db2.gz LYCPUPKKDVUHBZ-UHFFFAOYSA-N 1 0 301.350 2.590 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000451846441 297886277 /nfs/dbraw/zinc/88/62/77/297886277.db2.gz RLIIFTXPXWKBOT-NSHDSACASA-N 1 0 313.348 2.789 20 5 DFBDRO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453319971 298083259 /nfs/dbraw/zinc/08/32/59/298083259.db2.gz FGEVYLXRRNVPCG-CABCVRRESA-N 1 0 315.377 2.768 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)Cc2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000453330584 298083742 /nfs/dbraw/zinc/08/37/42/298083742.db2.gz DSJDNOPZJGREHD-DGCLKSJQSA-N 1 0 302.378 2.919 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2cc([N+](=O)[O-])ccc21 ZINC000453402605 298090615 /nfs/dbraw/zinc/09/06/15/298090615.db2.gz CKMOIBQPNUCBHV-WMLDXEAASA-N 1 0 317.389 2.576 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453415089 298092119 /nfs/dbraw/zinc/09/21/19/298092119.db2.gz XCGZYEDOOBKDLP-GDBMZVCRSA-N 1 0 305.378 2.694 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454142687 298125775 /nfs/dbraw/zinc/12/57/75/298125775.db2.gz INXDLZSSTGAZKU-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454635021 298212451 /nfs/dbraw/zinc/21/24/51/298212451.db2.gz WLUVZTQHLXDXNR-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1c(C(=O)NC(C)(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000456207675 298471815 /nfs/dbraw/zinc/47/18/15/298471815.db2.gz SQALDMDBYFCEQA-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000496127388 300018738 /nfs/dbraw/zinc/01/87/38/300018738.db2.gz WEEQKYWAKPWTQP-ZDUSSCGKSA-N 1 0 321.377 2.696 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)CSCC1CC[NH2+]CC1 ZINC000515057656 300287879 /nfs/dbraw/zinc/28/78/79/300287879.db2.gz LIOHBCLMGPTWOS-UHFFFAOYSA-N 1 0 323.418 2.575 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000515388403 300304295 /nfs/dbraw/zinc/30/42/95/300304295.db2.gz ATIKAWJITVONAJ-WBMJQRKESA-N 1 0 301.390 2.656 20 5 DFBDRO COCCOCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516089492 300329338 /nfs/dbraw/zinc/32/93/38/300329338.db2.gz YKVIDZXVDNZNOX-HNNXBMFYSA-N 1 0 308.378 2.615 20 5 DFBDRO C[NH+](C)[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)C1CC1 ZINC000516281386 300338187 /nfs/dbraw/zinc/33/81/87/300338187.db2.gz VKKFJXBJLUVRKS-HNNXBMFYSA-N 1 0 304.394 2.621 20 5 DFBDRO Cc1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000516787411 300361304 /nfs/dbraw/zinc/36/13/04/300361304.db2.gz VNXBBSURLCHXMA-UHFFFAOYSA-N 1 0 302.378 2.749 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000516861586 300363927 /nfs/dbraw/zinc/36/39/27/300363927.db2.gz DVPHGFTWJSCYAX-TZMCWYRMSA-N 1 0 317.389 2.782 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000517172275 300385751 /nfs/dbraw/zinc/38/57/51/300385751.db2.gz GMEDEWVMYFZLNG-LBPRGKRZSA-N 1 0 304.375 2.574 20 5 DFBDRO CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000517586163 300401155 /nfs/dbraw/zinc/40/11/55/300401155.db2.gz LPVMPFAETXTPNN-ZIAGYGMSSA-N 1 0 317.389 2.571 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)c2cccnc21 ZINC000519751924 300474247 /nfs/dbraw/zinc/47/42/47/300474247.db2.gz YIBAFZGJDIQWBS-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO C[C@@H]1C[C@H](C)[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1 ZINC000532582107 301160952 /nfs/dbraw/zinc/16/09/52/301160952.db2.gz NMZJQDNXLLQAAO-NEPJUHHUSA-N 1 0 319.361 2.623 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532648642 301165500 /nfs/dbraw/zinc/16/55/00/301165500.db2.gz PLKZEOKBOIFMHC-UONOGXRCSA-N 1 0 318.373 2.998 20 5 DFBDRO COC(C)(C)C[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000533342290 301197268 /nfs/dbraw/zinc/19/72/68/301197268.db2.gz YWBGMKMIZPZYBQ-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO C[C@H]1C[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H](C)S1 ZINC000533426778 301200252 /nfs/dbraw/zinc/20/02/52/301200252.db2.gz MLCSTBSAQAYMNI-RYUDHWBXSA-N 1 0 323.418 2.749 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000536840378 301291507 /nfs/dbraw/zinc/29/15/07/301291507.db2.gz PHMSEYXUHQHGDX-VHSXEESVSA-N 1 0 306.284 2.867 20 5 DFBDRO CCc1nc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000536854493 301291834 /nfs/dbraw/zinc/29/18/34/301291834.db2.gz VMPSASNRAPBSOY-NSHDSACASA-N 1 0 304.350 2.742 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC000536906488 301292581 /nfs/dbraw/zinc/29/25/81/301292581.db2.gz ZJXFDIPBDXNNHW-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000537968570 301314732 /nfs/dbraw/zinc/31/47/32/301314732.db2.gz MPNFBHJPZXBPAP-GFCCVEGCSA-N 1 0 315.377 2.723 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000538378684 301320340 /nfs/dbraw/zinc/32/03/40/301320340.db2.gz YHNWROIHXSUBHD-BBRMVZONSA-N 1 0 324.352 2.945 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541858000 301399445 /nfs/dbraw/zinc/39/94/45/301399445.db2.gz VHGXBZQDCSHRJY-UHFFFAOYSA-N 1 0 314.345 2.763 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+][C@H](CO)C3CCCCC3)nc2c1 ZINC000559841978 301877607 /nfs/dbraw/zinc/87/76/07/301877607.db2.gz HRBKKZVHZIOIPS-OAHLLOKOSA-N 1 0 318.377 2.502 20 5 DFBDRO C[C@H]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000563003137 302024166 /nfs/dbraw/zinc/02/41/66/302024166.db2.gz PVKDCFIAVWXSEH-QWHCGFSZSA-N 1 0 305.378 2.949 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CO1 ZINC000563121493 302038849 /nfs/dbraw/zinc/03/88/49/302038849.db2.gz CINHYSZKGBGSJP-PWSUYJOCSA-N 1 0 319.386 2.985 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305204 302060779 /nfs/dbraw/zinc/06/07/79/302060779.db2.gz OKQVXONCOBRCGN-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423670 302071200 /nfs/dbraw/zinc/07/12/00/302071200.db2.gz OGPHRKAZUYWFOE-CJNGLKHVSA-N 1 0 303.406 2.902 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000564208737 302123133 /nfs/dbraw/zinc/12/31/33/302123133.db2.gz SJHPAWRJIPQNSC-DTWKUNHWSA-N 1 0 306.288 2.539 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CN[C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000564582646 302142901 /nfs/dbraw/zinc/14/29/01/302142901.db2.gz FJPWNCJLMAVNPZ-CJNGLKHVSA-N 1 0 303.406 2.904 20 5 DFBDRO CC(C)(C)[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564723235 302153585 /nfs/dbraw/zinc/15/35/85/302153585.db2.gz BFCAPZJJHVWAPI-CYBMUJFWSA-N 1 0 300.786 2.787 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000565221367 302209519 /nfs/dbraw/zinc/20/95/19/302209519.db2.gz IPGNDJIIILZVAF-UHFFFAOYSA-N 1 0 322.409 2.555 20 5 DFBDRO C[C@@H](C(=O)NCCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000565632982 302234231 /nfs/dbraw/zinc/23/42/31/302234231.db2.gz YCUDINPGAZISEI-CYBMUJFWSA-N 1 0 319.405 2.546 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000565879894 302246491 /nfs/dbraw/zinc/24/64/91/302246491.db2.gz YSPCFNKHQNBQNI-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1cc([N+](=O)[O-])c(C)cc1C ZINC000566839443 302315697 /nfs/dbraw/zinc/31/56/97/302315697.db2.gz XDZCRWYDWNVDLQ-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1cnc(N2CCC[C@@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000266213372 302349429 /nfs/dbraw/zinc/34/94/29/302349429.db2.gz NSDJECQHQFEJCZ-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567471641 302361614 /nfs/dbraw/zinc/36/16/14/302361614.db2.gz VHPWIQADUHICGO-SFYZADRCSA-N 1 0 315.757 2.573 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000567689072 302379768 /nfs/dbraw/zinc/37/97/68/302379768.db2.gz BSRJCMHEJXXLSB-CBBWQLFWSA-N 1 0 322.405 2.749 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000567686122 302379791 /nfs/dbraw/zinc/37/97/91/302379791.db2.gz XRFCEBKPOPOYED-KBXCAEBGSA-N 1 0 314.385 2.892 20 5 DFBDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000568763754 302476162 /nfs/dbraw/zinc/47/61/62/302476162.db2.gz IRRPPVNHWVHQOL-VXGBXAGGSA-N 1 0 318.295 2.863 20 5 DFBDRO CC[C@H](C)N(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000570010044 302550862 /nfs/dbraw/zinc/55/08/62/302550862.db2.gz PRRVUZXSCPSWDA-SOUVJXGZSA-N 1 0 323.441 2.595 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCOC1 ZINC000572201336 302648479 /nfs/dbraw/zinc/64/84/79/302648479.db2.gz BUWMSCQBGNAYDB-WCQYABFASA-N 1 0 303.362 2.633 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000375276031 304810721 /nfs/dbraw/zinc/81/07/21/304810721.db2.gz QQDWMZDEUTWKNO-CQSZACIVSA-N 1 0 304.394 2.835 20 5 DFBDRO COCCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000179343705 316007762 /nfs/dbraw/zinc/00/77/62/316007762.db2.gz CDDQZSIKHSHGJU-HNNXBMFYSA-N 1 0 308.378 2.531 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000179695050 316016321 /nfs/dbraw/zinc/01/63/21/316016321.db2.gz AEXVUZJCLSNSMQ-UHFFFAOYSA-N 1 0 321.421 2.982 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000181826125 316074462 /nfs/dbraw/zinc/07/44/62/316074462.db2.gz DNALSDBDBWPWHB-CHWSQXEVSA-N 1 0 307.394 2.715 20 5 DFBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000184039461 316157378 /nfs/dbraw/zinc/15/73/78/316157378.db2.gz YULPPXQBHYFATR-UHFFFAOYSA-N 1 0 314.769 2.533 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1nc(C(C)(C)C)cs1 ZINC000184460241 316166734 /nfs/dbraw/zinc/16/67/34/316166734.db2.gz OIZSDHDQZDHLJP-SNVBAGLBSA-N 1 0 323.422 2.896 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000414789004 316657193 /nfs/dbraw/zinc/65/71/93/316657193.db2.gz NKHGJQWSHYSTNL-WBMJQRKESA-N 1 0 313.357 2.649 20 5 DFBDRO C[C@@H](NC(=O)NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000417128577 316670384 /nfs/dbraw/zinc/67/03/84/316670384.db2.gz IPVRQWSISCZTFX-GFCCVEGCSA-N 1 0 320.393 2.617 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000449546013 317040214 /nfs/dbraw/zinc/04/02/14/317040214.db2.gz ZQUXPEPIGCKCRK-NVXWUHKLSA-N 1 0 313.357 3.000 20 5 DFBDRO COc1ccc(C[N@@H+](C)[C@@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000449629864 317045655 /nfs/dbraw/zinc/04/56/55/317045655.db2.gz GRXNBUHBLWBONW-HZPDHXFCSA-N 1 0 320.389 2.993 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000450304442 317082387 /nfs/dbraw/zinc/08/23/87/317082387.db2.gz MCYCZPBTYIKRCY-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])nc1 ZINC000450377229 317087386 /nfs/dbraw/zinc/08/73/86/317087386.db2.gz IIYVCDVMZGTYCL-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453295080 317177644 /nfs/dbraw/zinc/17/76/44/317177644.db2.gz PBKQUFJOMGPIHY-XJKCOSOUSA-N 1 0 308.378 2.605 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000453406552 317183737 /nfs/dbraw/zinc/18/37/37/317183737.db2.gz KUENEFIPKNAOFN-DNNBLBMLSA-N 1 0 304.390 2.809 20 5 DFBDRO Cc1ccccc1[C@@H](CO)[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000542912574 317823296 /nfs/dbraw/zinc/82/32/96/317823296.db2.gz NBGQZPQFGDBKNH-QGZVFWFLSA-N 1 0 316.357 2.605 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000574614859 318027691 /nfs/dbraw/zinc/02/76/91/318027691.db2.gz UBXKAMSVFGVPEQ-KBPBESRZSA-N 1 0 321.421 2.935 20 5 DFBDRO Cc1c[nH]c(C(C)(C)NC(=O)Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000574884373 318047413 /nfs/dbraw/zinc/04/74/13/318047413.db2.gz QHRKPJSALAIOGU-UHFFFAOYSA-N 1 0 316.361 2.529 20 5 DFBDRO CC(C)(C)N1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1=O ZINC000575059045 318060189 /nfs/dbraw/zinc/06/01/89/318060189.db2.gz CXKLOCPUWRNPKD-IZPAUZPXSA-N 1 0 317.389 2.597 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1 ZINC000575981065 318095711 /nfs/dbraw/zinc/09/57/11/318095711.db2.gz YIMUEJDLDPCDGZ-GXFFZTMASA-N 1 0 323.418 2.659 20 5 DFBDRO [NH3+][C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)c1ccccc1 ZINC000576465675 318128339 /nfs/dbraw/zinc/12/83/39/318128339.db2.gz JQKOZRUZFACTQP-CQSZACIVSA-N 1 0 312.373 2.981 20 5 DFBDRO CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000577737732 318213915 /nfs/dbraw/zinc/21/39/15/318213915.db2.gz RNVHOLUMKIKUGP-UONOGXRCSA-N 1 0 324.425 2.663 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000577815528 318218299 /nfs/dbraw/zinc/21/82/99/318218299.db2.gz XOCIJNJLGQCDEK-HIFRSBDPSA-N 1 0 319.405 2.687 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]CC12CCC(CC1)C2 ZINC000577859573 318222416 /nfs/dbraw/zinc/22/24/16/318222416.db2.gz DUTQVQMGIKCVHG-XOYHFGRZSA-N 1 0 320.389 2.504 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NCCC[NH2+]C(C)C)cc1[N+](=O)[O-] ZINC000578122200 318239242 /nfs/dbraw/zinc/23/92/42/318239242.db2.gz BRMRYWHGZBHRPD-CYBMUJFWSA-N 1 0 322.409 2.652 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000578259746 318248723 /nfs/dbraw/zinc/24/87/23/318248723.db2.gz XBMVPTKVMQCSMK-VSWCJUERSA-N 1 0 304.390 2.996 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000578761488 318283663 /nfs/dbraw/zinc/28/36/63/318283663.db2.gz HTWLFJQTDWBCRF-HNNXBMFYSA-N 1 0 313.357 2.988 20 5 DFBDRO COc1ncccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578786504 318285873 /nfs/dbraw/zinc/28/58/73/318285873.db2.gz LZKBRLIYJZJKNL-OAHLLOKOSA-N 1 0 313.357 2.818 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000578984914 318299268 /nfs/dbraw/zinc/29/92/68/318299268.db2.gz NDNFEZRXXVOAHU-JOCQHMNTSA-N 1 0 315.377 2.618 20 5 DFBDRO O=[N+]([O-])c1cc(F)cc(OCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000579478614 318333861 /nfs/dbraw/zinc/33/38/61/318333861.db2.gz BPQYKKCWRAAZAT-UHFFFAOYSA-N 1 0 302.305 2.959 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579547682 318337212 /nfs/dbraw/zinc/33/72/12/318337212.db2.gz PYLKNNFCJIQTGY-CQSZACIVSA-N 1 0 321.421 2.745 20 5 DFBDRO C[N@H+](CCCCO)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000385068639 323309936 /nfs/dbraw/zinc/30/99/36/323309936.db2.gz DHFHCQZVHVLRTD-UHFFFAOYSA-N 1 0 317.183 2.562 20 5 DFBDRO Cc1cc(N[C@@H]2CC23CCOCC3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000387065707 323322252 /nfs/dbraw/zinc/32/22/52/323322252.db2.gz XKFOQFRAMJZADN-MRXNPFEDSA-N 1 0 313.357 2.854 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2C[C@H]2CO)s1 ZINC000581049866 323467567 /nfs/dbraw/zinc/46/75/67/323467567.db2.gz RIJXCHJFRRZWJO-GXFFZTMASA-N 1 0 304.371 2.794 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000569988650 500585707 /nfs/dbraw/zinc/58/57/07/500585707.db2.gz UAMZGSPOABHHGF-SEEARECTSA-N 1 0 317.389 2.619 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423935350 500638273 /nfs/dbraw/zinc/63/82/73/500638273.db2.gz ADOGTQDFQCQEIG-LBPRGKRZSA-N 1 0 323.418 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC3CC[NH2+]CC3)o2)cc1 ZINC000414797539 501082491 /nfs/dbraw/zinc/08/24/91/501082491.db2.gz ZFLWSQHGNNSVLS-UHFFFAOYSA-N 1 0 301.346 2.696 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1ccncc1[N+](=O)[O-] ZINC000309827526 533745329 /nfs/dbraw/zinc/74/53/29/533745329.db2.gz RFOHZJZWRLBEMX-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000305812907 533787796 /nfs/dbraw/zinc/78/77/96/533787796.db2.gz IRGLEORNTWBYML-HIFRSBDPSA-N 1 0 308.378 2.586 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCC[NH+]2CCCCCC2)c1 ZINC000302093250 534245313 /nfs/dbraw/zinc/24/53/13/534245313.db2.gz MWVDUSSUZBWYQI-UHFFFAOYSA-N 1 0 321.377 2.669 20 5 DFBDRO CC(C)([NH2+]Cc1cnc2cnccn12)c1ccc([N+](=O)[O-])cc1 ZINC000156972115 519325523 /nfs/dbraw/zinc/32/55/23/519325523.db2.gz RFNXJFQGVZZGGE-UHFFFAOYSA-N 1 0 311.345 2.662 20 5 DFBDRO C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[C@H](C)O ZINC000157600299 524750219 /nfs/dbraw/zinc/75/02/19/524750219.db2.gz JFLQPWJBEPYNFV-WWGRRREGSA-N 1 0 306.406 2.913 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364793182 525458111 /nfs/dbraw/zinc/45/81/11/525458111.db2.gz PHODNSRWYCCXAH-NUEKZKHPSA-N 1 0 320.389 2.849 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000364899657 525574866 /nfs/dbraw/zinc/57/48/66/525574866.db2.gz DEKDKHTXYRHVPW-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO Cc1c(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000365997727 525702298 /nfs/dbraw/zinc/70/22/98/525702298.db2.gz CBBDMOASLPFQNW-CQSZACIVSA-N 1 0 314.389 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+](CCCO)C2)c(Cl)c1 ZINC000295035295 534882085 /nfs/dbraw/zinc/88/20/85/534882085.db2.gz WDEVJZLTKGWUHS-LLVKDONJSA-N 1 0 313.785 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)nc2c1 ZINC000317346713 534883879 /nfs/dbraw/zinc/88/38/79/534883879.db2.gz YNSPHCLIMABLQS-WDEREUQCSA-N 1 0 301.350 2.510 20 5 DFBDRO Cc1ccc([C@@]2(C)CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cc1 ZINC000364846581 525869346 /nfs/dbraw/zinc/86/93/46/525869346.db2.gz JHLUBSVBXWMALG-KRWDZBQOSA-N 1 0 314.389 2.763 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000158178450 525921027 /nfs/dbraw/zinc/92/10/27/525921027.db2.gz POBNPVQAOBULLV-GJZGRUSLSA-N 1 0 322.405 2.997 20 5 DFBDRO Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1[N+](=O)[O-] ZINC000364245038 526139126 /nfs/dbraw/zinc/13/91/26/526139126.db2.gz PDXLWIJMCBXIAN-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(C)(CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304304871 527060346 /nfs/dbraw/zinc/06/03/46/527060346.db2.gz IZVPGHMAPZVTCH-UHFFFAOYSA-N 1 0 321.402 2.969 20 5 DFBDRO CC(C)(C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000294897106 527230874 /nfs/dbraw/zinc/23/08/74/527230874.db2.gz WXLWSVGEEWAYSG-CQSZACIVSA-N 1 0 319.405 2.708 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132471775 527394861 /nfs/dbraw/zinc/39/48/61/527394861.db2.gz PLADMLLNCSBPPQ-CQSZACIVSA-N 1 0 304.371 2.748 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccccc3)CC2)c1 ZINC000157558445 527414782 /nfs/dbraw/zinc/41/47/82/527414782.db2.gz ZIKKNPRRQHXYRE-UHFFFAOYSA-N 1 0 300.362 2.671 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000318057738 528234508 /nfs/dbraw/zinc/23/45/08/528234508.db2.gz UJLRQUBQRUWMQM-WFASDCNBSA-N 1 0 307.394 2.939 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790162 529236099 /nfs/dbraw/zinc/23/60/99/529236099.db2.gz AZTBWRWFYADPNK-DZGCQCFKSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736857 529253949 /nfs/dbraw/zinc/25/39/49/529253949.db2.gz VJQRORWWJYKCBQ-JSGCOSHPSA-N 1 0 317.389 2.747 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@@H](C)OC ZINC000361574379 535706829 /nfs/dbraw/zinc/70/68/29/535706829.db2.gz VVJGGEZRAGXLKP-CYBMUJFWSA-N 1 0 323.393 2.589 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355597330 535820465 /nfs/dbraw/zinc/82/04/65/535820465.db2.gz DWMDDPYLTUIKQJ-CYBMUJFWSA-N 1 0 322.361 2.521 20 5 DFBDRO CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1 ZINC000275853699 535850592 /nfs/dbraw/zinc/85/05/92/535850592.db2.gz XMWMLANYQVVYOA-UHFFFAOYSA-N 1 0 323.396 2.727 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1CCC(C)CC1 ZINC000360880104 535970344 /nfs/dbraw/zinc/97/03/44/535970344.db2.gz QLXYZYKTZHAWFW-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824617379 607908105 /nfs/dbraw/zinc/90/81/05/607908105.db2.gz HFKMPIXCKUPQTR-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000078969016 185137476 /nfs/dbraw/zinc/13/74/76/185137476.db2.gz FNAKUSDRAUMHBT-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181299024 199277895 /nfs/dbraw/zinc/27/78/95/199277895.db2.gz VGYHPUGQZFUCJS-LBPRGKRZSA-N 1 0 314.345 2.588 20 5 DFBDRO O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000318611655 231173517 /nfs/dbraw/zinc/17/35/17/231173517.db2.gz SPMZWALVDRLCLL-MRVPVSSYSA-N 1 0 316.283 2.657 20 5 DFBDRO CC(C)C[NH+]1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083132182 185213702 /nfs/dbraw/zinc/21/37/02/185213702.db2.gz JGDRHDGRNPGPEX-UHFFFAOYSA-N 1 0 318.377 2.510 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087367827 185222955 /nfs/dbraw/zinc/22/29/55/185222955.db2.gz NRVPKCZFXWAMFX-GJZGRUSLSA-N 1 0 319.405 2.516 20 5 DFBDRO O=[N+]([O-])c1cnccc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596252813 398368612 /nfs/dbraw/zinc/36/86/12/398368612.db2.gz SJLBCKOYNXYFQO-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000008374936 398373465 /nfs/dbraw/zinc/37/34/65/398373465.db2.gz GHBMLSPSTFWLQI-UHFFFAOYSA-N 1 0 315.377 2.536 20 5 DFBDRO CC[C@H](C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+](CC)CC ZINC000295740784 529612662 /nfs/dbraw/zinc/61/26/62/529612662.db2.gz SQSWDBLWSKFPLS-SWLSCSKDSA-N 1 0 307.394 2.892 20 5 DFBDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000009917157 398375810 /nfs/dbraw/zinc/37/58/10/398375810.db2.gz UIYYDBWKGYRTFX-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO CS[C@H](CO)[C@@H](C)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272824075 210223733 /nfs/dbraw/zinc/22/37/33/210223733.db2.gz JLMMGAYNWMFOIL-MEBBXXQBSA-N 1 0 321.402 2.976 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000015257952 398393666 /nfs/dbraw/zinc/39/36/66/398393666.db2.gz WFLBIMFIPCQHGH-RYUDHWBXSA-N 1 0 306.362 2.939 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000305790788 529712048 /nfs/dbraw/zinc/71/20/48/529712048.db2.gz AZTBWRWFYADPNK-HIFRSBDPSA-N 1 0 308.378 2.729 20 5 DFBDRO C[C@H]1CC2(C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)CCOCC2 ZINC000592183236 398397925 /nfs/dbraw/zinc/39/79/25/398397925.db2.gz UFODFUKWXUDLQL-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccccc1C[NH+]1CCN(c2ccncc2[N+](=O)[O-])CC1 ZINC000066796636 398399548 /nfs/dbraw/zinc/39/95/48/398399548.db2.gz FRLNFHGKYXGJEA-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000084726406 398406766 /nfs/dbraw/zinc/40/67/66/398406766.db2.gz RFINJYUYFCJLIT-QGZVFWFLSA-N 1 0 320.437 2.587 20 5 DFBDRO CC(C)[N@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)C1CC1 ZINC000181661279 199335146 /nfs/dbraw/zinc/33/51/46/199335146.db2.gz HQEIWODTANGIAE-UHFFFAOYSA-N 1 0 309.341 2.935 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000067052666 398414430 /nfs/dbraw/zinc/41/44/30/398414430.db2.gz PHPRNFDMWYLVQV-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO CSc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1[N+](=O)[O-] ZINC000592356681 398414899 /nfs/dbraw/zinc/41/48/99/398414899.db2.gz DUQFFOLMTZFZLD-VIFPVBQESA-N 1 0 306.347 2.791 20 5 DFBDRO CC(C)(c1nc([C@@H]2CCC[NH2+]2)no1)c1ccccc1[N+](=O)[O-] ZINC000592356392 398415035 /nfs/dbraw/zinc/41/50/35/398415035.db2.gz UCGVJCQKFBRXKM-NSHDSACASA-N 1 0 302.334 2.728 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCCC3)ccc1[N+](=O)[O-] ZINC000592425617 398424625 /nfs/dbraw/zinc/42/46/25/398424625.db2.gz GAMBPPZMCUFESS-CQSZACIVSA-N 1 0 318.377 2.699 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592432435 398425621 /nfs/dbraw/zinc/42/56/21/398425621.db2.gz JBMWXPOSCYBQNO-GDBMZVCRSA-N 1 0 303.406 2.902 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000596487683 398426855 /nfs/dbraw/zinc/42/68/55/398426855.db2.gz JNEMKTWYVITEHJ-LBPRGKRZSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397474 398421086 /nfs/dbraw/zinc/42/10/86/398421086.db2.gz MCAVOICHIUYSCP-DOTOQJQBSA-N 1 0 322.405 2.813 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCS[C@@H]1C ZINC000592400044 398422054 /nfs/dbraw/zinc/42/20/54/398422054.db2.gz PYYBZBUAQDJQKG-GYSYKLTISA-N 1 0 323.418 2.796 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000320358480 529938899 /nfs/dbraw/zinc/93/88/99/529938899.db2.gz RDIPTPYNDUOYKN-LBPRGKRZSA-N 1 0 313.357 2.805 20 5 DFBDRO C[NH+]1CCC(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000025598076 398443305 /nfs/dbraw/zinc/44/33/05/398443305.db2.gz RIGHBABNGYPMGS-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000592538493 398444285 /nfs/dbraw/zinc/44/42/85/398444285.db2.gz QNDWERRPPXOSNO-SNPRPXQTSA-N 1 0 305.378 2.537 20 5 DFBDRO CC[C@H](NC(=O)C1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000592538038 398444345 /nfs/dbraw/zinc/44/43/45/398444345.db2.gz MUQHHODVZWIKGV-HGMXIMQMSA-N 1 0 305.378 2.680 20 5 DFBDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000269773236 398447394 /nfs/dbraw/zinc/44/73/94/398447394.db2.gz CDOMOAOKWYLUMU-ZFWWWQNUSA-N 1 0 308.378 2.599 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCCO2 ZINC000025920047 398447548 /nfs/dbraw/zinc/44/75/48/398447548.db2.gz BHHCXQWEHJZWAV-UHFFFAOYSA-N 1 0 314.341 2.998 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CC(N)=O)CC1 ZINC000585796346 398447589 /nfs/dbraw/zinc/44/75/89/398447589.db2.gz RJEYUUBKJYWONN-KBPBESRZSA-N 1 0 319.405 2.942 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596561736 398447864 /nfs/dbraw/zinc/44/78/64/398447864.db2.gz GUJADBYFPNACJW-UHFFFAOYSA-N 1 0 321.425 2.654 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000026159249 398450487 /nfs/dbraw/zinc/45/04/87/398450487.db2.gz FRHSDVCVFZQDMZ-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO CCC[C@@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000586780538 398458689 /nfs/dbraw/zinc/45/86/89/398458689.db2.gz ZRLHKUZKJSUFRQ-MRXNPFEDSA-N 1 0 308.378 2.913 20 5 DFBDRO CCC[C@]1([NH2+]CCCOc2ccc([N+](=O)[O-])cc2)CCOC1 ZINC000586780537 398458709 /nfs/dbraw/zinc/45/87/09/398458709.db2.gz ZRLHKUZKJSUFRQ-INIZCTEOSA-N 1 0 308.378 2.913 20 5 DFBDRO C[NH+](C)CCc1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000596634586 398466047 /nfs/dbraw/zinc/46/60/47/398466047.db2.gz LFAZIRLXFKTOAO-UHFFFAOYSA-N 1 0 300.358 2.858 20 5 DFBDRO CC1(C)C[C@@H](NCC23CC(C2)C[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000596655682 398472711 /nfs/dbraw/zinc/47/27/11/398472711.db2.gz WVMAMQGEUPWDAT-GMQFJONSSA-N 1 0 301.390 2.659 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000587626493 398471894 /nfs/dbraw/zinc/47/18/94/398471894.db2.gz ZPZBQBYUSNDRQC-CYBMUJFWSA-N 1 0 305.378 2.764 20 5 DFBDRO Cc1c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cccc1[N+](=O)[O-] ZINC000286757345 219150074 /nfs/dbraw/zinc/15/00/74/219150074.db2.gz FRDOJGYHORGPMR-PBHICJAKSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1c(C[NH2+]C2CCN(CC(F)F)CC2)cccc1[N+](=O)[O-] ZINC000330924351 232167287 /nfs/dbraw/zinc/16/72/87/232167287.db2.gz TXMLMRKOISROPZ-UHFFFAOYSA-N 1 0 313.348 2.722 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770833 398482921 /nfs/dbraw/zinc/48/29/21/398482921.db2.gz DZTFMRUEBNXCQC-HOTGVXAUSA-N 1 0 317.389 2.789 20 5 DFBDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000030269495 398499257 /nfs/dbraw/zinc/49/92/57/398499257.db2.gz JGNWWRSBSPLOLJ-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000068442252 398503973 /nfs/dbraw/zinc/50/39/73/398503973.db2.gz DABBOHBZOFKVDE-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO [NH3+]C1(CNc2cc(Br)ccc2[N+](=O)[O-])CCC1 ZINC000236182058 201924567 /nfs/dbraw/zinc/92/45/67/201924567.db2.gz IVBWQPYSDXXBOM-UHFFFAOYSA-N 1 0 300.156 2.651 20 5 DFBDRO C[NH+](C)Cc1ccc(-c2cc(CO)cc([N+](=O)[O-])c2)cc1F ZINC000592986404 398515508 /nfs/dbraw/zinc/51/55/08/398515508.db2.gz HIOFXCGSPLDSGG-UHFFFAOYSA-N 1 0 304.321 2.955 20 5 DFBDRO COC[C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)OC ZINC000272677462 210081875 /nfs/dbraw/zinc/08/18/75/210081875.db2.gz MARVMXWLMJDGPA-HNNXBMFYSA-N 1 0 320.345 2.606 20 5 DFBDRO COc1ccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000314525388 398520146 /nfs/dbraw/zinc/52/01/46/398520146.db2.gz UZWRRCNCTSVZRH-UHFFFAOYSA-N 1 0 300.358 2.978 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000068722771 398522295 /nfs/dbraw/zinc/52/22/95/398522295.db2.gz FUNGIVZMBKVKMP-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000272660515 210064814 /nfs/dbraw/zinc/06/48/14/210064814.db2.gz BTTZIICIQCIDLK-JTQLQIEISA-N 1 0 323.780 2.628 20 5 DFBDRO CON1CCC(N(C)Cc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000459578316 299138453 /nfs/dbraw/zinc/13/84/53/299138453.db2.gz ILRXQKVHUXOXPA-UHFFFAOYSA-N 1 0 313.785 2.706 20 5 DFBDRO C[C@@]1(c2cccc(F)c2)CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000593040813 398528686 /nfs/dbraw/zinc/52/86/86/398528686.db2.gz MLAXBDVLRUXRGI-MRXNPFEDSA-N 1 0 318.352 2.594 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000091453505 398529854 /nfs/dbraw/zinc/52/98/54/398529854.db2.gz BZJNLCDWFCPEAW-LBPRGKRZSA-N 1 0 323.368 2.807 20 5 DFBDRO 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 398534678 /nfs/dbraw/zinc/53/46/78/398534678.db2.gz WUPCXJXICLVDFN-XFUCPCLHSA-N 1 0 314.385 2.963 20 5 DFBDRO CCCCOC[C@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000279714514 215085503 /nfs/dbraw/zinc/08/55/03/215085503.db2.gz KWAQVENFKKNHGS-HZPDHXFCSA-N 1 0 310.394 2.813 20 5 DFBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000032663124 398534939 /nfs/dbraw/zinc/53/49/39/398534939.db2.gz ZFQRALKCVHJGMH-GFCCVEGCSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000068906606 398537378 /nfs/dbraw/zinc/53/73/78/398537378.db2.gz RNAGQRIAIIWIHW-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCCC[C@@H]1C ZINC000032732415 398537631 /nfs/dbraw/zinc/53/76/31/398537631.db2.gz FIQXUQIRGXNLSL-QWRGUYRKSA-N 1 0 311.407 2.649 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000593084709 398541550 /nfs/dbraw/zinc/54/15/50/398541550.db2.gz QTABPNCMVZFOHH-CYBMUJFWSA-N 1 0 322.405 2.834 20 5 DFBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459607460 299146579 /nfs/dbraw/zinc/14/65/79/299146579.db2.gz GUUQKUBBVIDABU-ZBEGNZNMSA-N 1 0 305.378 2.752 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000286970228 219250421 /nfs/dbraw/zinc/25/04/21/219250421.db2.gz PHKYXPRPJLJSCB-HUUCEWRRSA-N 1 0 319.405 2.532 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000589500081 398557308 /nfs/dbraw/zinc/55/73/08/398557308.db2.gz RADOKXBQEQGWMX-STQMWFEESA-N 1 0 304.346 2.613 20 5 DFBDRO C[NH+]1CCC(C)(CNc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000324340726 398562444 /nfs/dbraw/zinc/56/24/44/398562444.db2.gz YRZROPGBMGUIIU-UHFFFAOYSA-N 1 0 315.377 2.682 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414310198 295787165 /nfs/dbraw/zinc/78/71/65/295787165.db2.gz ZKLRUEMWUIRXJN-BIMULSAOSA-N 1 0 300.305 2.794 20 5 DFBDRO CCc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188764 398567404 /nfs/dbraw/zinc/56/74/04/398567404.db2.gz PJSAIFHEBZGQHY-AGIUHOORSA-N 1 0 319.405 2.710 20 5 DFBDRO 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 398567518 /nfs/dbraw/zinc/56/75/18/398567518.db2.gz JPTXTZBYFOQJTA-XJFOESAGSA-N 1 0 319.405 2.638 20 5 DFBDRO C[C@H](CSCCF)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000597117031 398569277 /nfs/dbraw/zinc/56/92/77/398569277.db2.gz LPFUFGWGEHUWQM-SECBINFHSA-N 1 0 312.370 2.652 20 5 DFBDRO C[N@H+](CCCNC(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000069499786 398573069 /nfs/dbraw/zinc/57/30/69/398573069.db2.gz IVRBJXBYHJDWLM-UHFFFAOYSA-N 1 0 309.366 2.572 20 5 DFBDRO O=[N+]([O-])c1ccc(NCCC2CC[NH2+]CC2)c2ccncc21 ZINC000593233211 398576772 /nfs/dbraw/zinc/57/67/72/398576772.db2.gz LYXJJRHDSSJVAB-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000092454764 398577505 /nfs/dbraw/zinc/57/75/05/398577505.db2.gz OBVQAZKIBJKJMQ-NSHDSACASA-N 1 0 318.402 2.512 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000287083353 219301642 /nfs/dbraw/zinc/30/16/42/219301642.db2.gz OWFBBMLUZQLGSV-UKRRQHHQSA-N 1 0 300.358 2.849 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000092657741 398591428 /nfs/dbraw/zinc/59/14/28/398591428.db2.gz ODKUPAHTRRUAFZ-AWEZNQCLSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000092657740 398591481 /nfs/dbraw/zinc/59/14/81/398591481.db2.gz ODKUPAHTRRUAFZ-CQSZACIVSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1c(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cccc1[N+](=O)[O-] ZINC000071038341 398607981 /nfs/dbraw/zinc/60/79/81/398607981.db2.gz FTGZQZABUAEBEE-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)ccc1[N+](=O)[O-] ZINC000459683311 299164184 /nfs/dbraw/zinc/16/41/84/299164184.db2.gz TXYFLKQRTIJDFO-UKRRQHHQSA-N 1 0 318.373 2.604 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000043084374 398611782 /nfs/dbraw/zinc/61/17/82/398611782.db2.gz XMBIRQXGLOMDHI-UONOGXRCSA-N 1 0 319.405 2.896 20 5 DFBDRO COCC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414476495 295805012 /nfs/dbraw/zinc/80/50/12/295805012.db2.gz AEKNSAQVEFSWPJ-JTQLQIEISA-N 1 0 318.320 2.958 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000287118534 219325873 /nfs/dbraw/zinc/32/58/73/219325873.db2.gz XBUYLNKTDPHKEE-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459694644 299166541 /nfs/dbraw/zinc/16/65/41/299166541.db2.gz AFVNYPMODLMYDD-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000459694646 299166237 /nfs/dbraw/zinc/16/62/37/299166237.db2.gz AFVNYPMODLMYDD-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152632665 186091701 /nfs/dbraw/zinc/09/17/01/186091701.db2.gz LCWYPFDPAIDMLU-JHJVBQTASA-N 1 0 303.362 2.654 20 5 DFBDRO CN(c1ccccc1)c1ccc(C[NH2+]CCCO)cc1[N+](=O)[O-] ZINC000072713102 398632798 /nfs/dbraw/zinc/63/27/98/398632798.db2.gz SJHWXUAVEWOEAM-UHFFFAOYSA-N 1 0 315.373 2.835 20 5 DFBDRO C[NH+]1CCC2(CCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)CC1 ZINC000590567707 398631640 /nfs/dbraw/zinc/63/16/40/398631640.db2.gz IIQWPGDRBQXOBW-UHFFFAOYSA-N 1 0 310.785 2.565 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593462705 398635985 /nfs/dbraw/zinc/63/59/85/398635985.db2.gz ZJAVEJQVTIMQAJ-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177878305 186197713 /nfs/dbraw/zinc/19/77/13/186197713.db2.gz BTRAYRCSMWLPJK-UTUOFQBUSA-N 1 0 321.377 2.661 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000173316494 186176213 /nfs/dbraw/zinc/17/62/13/186176213.db2.gz IPFYIEMLVIGCDN-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414650538 295811825 /nfs/dbraw/zinc/81/18/25/295811825.db2.gz AVPHNVIJCIOWRZ-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000414652309 295812239 /nfs/dbraw/zinc/81/22/39/295812239.db2.gz WBWVMIYCMMSMBE-SNVBAGLBSA-N 1 0 320.349 2.582 20 5 DFBDRO CC1(C)CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181912533 186218382 /nfs/dbraw/zinc/21/83/82/186218382.db2.gz TXVOQTFCBUZSCK-CQSZACIVSA-N 1 0 322.405 2.847 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](Cc3csc([N+](=O)[O-])c3)C2)OCCO1 ZINC000183869682 186225620 /nfs/dbraw/zinc/22/56/20/186225620.db2.gz ZLBPZHXXHAYJDJ-GFCCVEGCSA-N 1 0 312.391 2.631 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000072871791 398643645 /nfs/dbraw/zinc/64/36/45/398643645.db2.gz GJRYIDRJUMHYGS-NTZNESFSSA-N 1 0 305.378 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c(Br)c1 ZINC000044509259 398647098 /nfs/dbraw/zinc/64/70/98/398647098.db2.gz SBSDEJFUVBTMMN-UHFFFAOYSA-N 1 0 314.183 2.769 20 5 DFBDRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000191863236 186266298 /nfs/dbraw/zinc/26/62/98/186266298.db2.gz ICGVWRWEXRKPRT-DOMZBBRYSA-N 1 0 308.378 2.503 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189950698 186253878 /nfs/dbraw/zinc/25/38/78/186253878.db2.gz JPTPQABYMFRZOB-IUODEOHRSA-N 1 0 308.378 2.634 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000267839883 186372203 /nfs/dbraw/zinc/37/22/03/186372203.db2.gz ANNRMZKNXGBBJN-MFKMUULPSA-N 1 0 303.362 2.835 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N(C)CC[NH+]1CCCC1 ZINC000094106607 398653477 /nfs/dbraw/zinc/65/34/77/398653477.db2.gz BUPRIRIHJDGEIW-UHFFFAOYSA-N 1 0 319.405 2.688 20 5 DFBDRO O=C(NCC12CCC[NH+]1CCC2)c1c(Cl)cccc1[N+](=O)[O-] ZINC000597587805 398665135 /nfs/dbraw/zinc/66/51/35/398665135.db2.gz YKYXUFMOXNDIST-UHFFFAOYSA-N 1 0 323.780 2.606 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]2CCO[C@@H]21 ZINC000590756128 398667218 /nfs/dbraw/zinc/66/72/18/398667218.db2.gz JAGQKMWOAUSGLR-VQISRLSMSA-N 1 0 317.345 2.639 20 5 DFBDRO COc1ccc([C@@H](CO)C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000459758571 299183808 /nfs/dbraw/zinc/18/38/08/299183808.db2.gz SIQZYZVFHSVYOL-CYBMUJFWSA-N 1 0 322.386 2.531 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000590762869 398669311 /nfs/dbraw/zinc/66/93/11/398669311.db2.gz BZAYIMGIRQQWJZ-QGZVFWFLSA-N 1 0 320.389 2.866 20 5 DFBDRO C[C@@H](C[NH3+])NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414934886 295837150 /nfs/dbraw/zinc/83/71/50/295837150.db2.gz AODVRKCMYPMTLM-NSHDSACASA-N 1 0 319.336 2.963 20 5 DFBDRO C[C@H](Cc1cccc(F)c1)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000459766144 299185617 /nfs/dbraw/zinc/18/56/17/299185617.db2.gz OXJUNQQNWMRGKV-LLVKDONJSA-N 1 0 306.341 2.530 20 5 DFBDRO CCN1C[C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000593687301 398670344 /nfs/dbraw/zinc/67/03/44/398670344.db2.gz LMPLFENRSLHOLX-AWEZNQCLSA-N 1 0 319.405 2.676 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459767633 299186422 /nfs/dbraw/zinc/18/64/22/299186422.db2.gz ASIRSUGVLFWUHJ-CABCVRRESA-N 1 0 322.405 2.893 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459767634 299186799 /nfs/dbraw/zinc/18/67/99/299186799.db2.gz ASIRSUGVLFWUHJ-GJZGRUSLSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H](CO)CCF)o2)c1 ZINC000593690151 398671050 /nfs/dbraw/zinc/67/10/50/398671050.db2.gz RXXNTKUXRCCQTL-GFCCVEGCSA-N 1 0 308.309 2.665 20 5 DFBDRO C[C@@H](C[NH+]1CCN(c2ncccc2[N+](=O)[O-])CC1)C(C)(C)C ZINC000590781099 398672860 /nfs/dbraw/zinc/67/28/60/398672860.db2.gz IBVSFLCOLPQPMY-ZDUSSCGKSA-N 1 0 306.410 2.794 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC(C)(C)C1 ZINC000072828151 191234732 /nfs/dbraw/zinc/23/47/32/191234732.db2.gz XDPXKAMZCSOGQZ-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597698676 398682225 /nfs/dbraw/zinc/68/22/25/398682225.db2.gz HHSUIYMNSBLWNM-ZWNOBZJWSA-N 1 0 317.345 2.506 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000459789550 299193201 /nfs/dbraw/zinc/19/32/01/299193201.db2.gz RNPSHAYXHKIREE-BYCMXARLSA-N 1 0 303.362 2.702 20 5 DFBDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000173442599 198215585 /nfs/dbraw/zinc/21/55/85/198215585.db2.gz YQBMTPSKDIJHRD-ZDUSSCGKSA-N 1 0 308.378 2.831 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000597716151 398685309 /nfs/dbraw/zinc/68/53/09/398685309.db2.gz ONRJYLXIWWKRCH-HNNXBMFYSA-N 1 0 323.418 2.523 20 5 DFBDRO Cc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000046049868 398694042 /nfs/dbraw/zinc/69/40/42/398694042.db2.gz CDUIZISEHDVYIL-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)s2)C1 ZINC000174160569 198299217 /nfs/dbraw/zinc/29/92/17/198299217.db2.gz RCMBRWMKMXZORW-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000174186167 198302559 /nfs/dbraw/zinc/30/25/59/198302559.db2.gz PZESXISEBGTAFS-TZMCWYRMSA-N 1 0 320.393 2.850 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174361810 198324206 /nfs/dbraw/zinc/32/42/06/198324206.db2.gz KBRZQQYNCZNHQP-DOMZBBRYSA-N 1 0 320.393 2.789 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000597854802 398704414 /nfs/dbraw/zinc/70/44/14/398704414.db2.gz LWRAVEXXXRCDNG-NSHDSACASA-N 1 0 323.368 2.584 20 5 DFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000593910271 398703133 /nfs/dbraw/zinc/70/31/33/398703133.db2.gz HPECHCKAYYTRJK-UHFFFAOYSA-N 1 0 323.780 2.592 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](CCc2cccc(F)c2)C2CC2)c1 ZINC000174862763 198394296 /nfs/dbraw/zinc/39/42/96/198394296.db2.gz TWRMSBNFLGUJSR-UHFFFAOYSA-N 1 0 318.352 2.638 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590971461 398710966 /nfs/dbraw/zinc/71/09/66/398710966.db2.gz QWOIQUVZCBNAPC-UONOGXRCSA-N 1 0 317.345 2.783 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000126750504 282921542 /nfs/dbraw/zinc/92/15/42/282921542.db2.gz RXRVKZQPYLEYEX-UHFFFAOYSA-N 1 0 320.393 2.981 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@@H](c2ccccc2)C2CCC2)n1 ZINC000176230845 198561790 /nfs/dbraw/zinc/56/17/90/198561790.db2.gz QDXGCQBWUWFNTD-INIZCTEOSA-N 1 0 300.362 2.922 20 5 DFBDRO CCCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046773655 398718230 /nfs/dbraw/zinc/71/82/30/398718230.db2.gz YHZAZMTWJFMMCT-HNNXBMFYSA-N 1 0 308.378 2.599 20 5 DFBDRO CCOc1cc(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000277055575 213266391 /nfs/dbraw/zinc/26/63/91/213266391.db2.gz ITHMAPVZBUGXNI-DABQJJPHSA-N 1 0 308.378 2.727 20 5 DFBDRO Cc1c(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000046859295 398722528 /nfs/dbraw/zinc/72/25/28/398722528.db2.gz BVVKBMXMHZZOFQ-LBPRGKRZSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000277012560 213239867 /nfs/dbraw/zinc/23/98/67/213239867.db2.gz PTBZSYXAIFHICP-TZMCWYRMSA-N 1 0 312.341 2.790 20 5 DFBDRO CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[N@H+](C)C1 ZINC000597945027 398725641 /nfs/dbraw/zinc/72/56/41/398725641.db2.gz GQXBTMAKNRQPHD-ZDUSSCGKSA-N 1 0 317.345 2.507 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294327 398726000 /nfs/dbraw/zinc/72/60/00/398726000.db2.gz SXCWVQWFCWBMJD-BBRMVZONSA-N 1 0 317.389 2.743 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000277002988 213231881 /nfs/dbraw/zinc/23/18/81/213231881.db2.gz OPHWYCOIONPKSN-HIFRSBDPSA-N 1 0 324.377 2.529 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415491070 295887372 /nfs/dbraw/zinc/88/73/72/295887372.db2.gz YSVJOVGEFLMJEY-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415499706 295888130 /nfs/dbraw/zinc/88/81/30/295888130.db2.gz KMSXROYQOVSWNU-RISCZKNCSA-N 1 0 306.366 2.542 20 5 DFBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594041536 398728991 /nfs/dbraw/zinc/72/89/91/398728991.db2.gz FHTYAZOUSGACAE-HOTGVXAUSA-N 1 0 308.378 2.911 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCCO1 ZINC000594042662 398729312 /nfs/dbraw/zinc/72/93/12/398729312.db2.gz MSUJQEKGOXETHV-IUODEOHRSA-N 1 0 318.377 2.908 20 5 DFBDRO Cc1c(C[NH2+]C2(CO)Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000074326810 398740754 /nfs/dbraw/zinc/74/07/54/398740754.db2.gz PIDHRYWKIXSULT-UHFFFAOYSA-N 1 0 312.369 2.523 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594094194 398742212 /nfs/dbraw/zinc/74/22/12/398742212.db2.gz IGFUXJKYNJUGIK-LSDHHAIUSA-N 1 0 318.377 2.733 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000047405021 398747212 /nfs/dbraw/zinc/74/72/12/398747212.db2.gz BCZQISPCMZIWMB-LLVKDONJSA-N 1 0 308.338 2.647 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc1-c1ccccc1 ZINC000591438580 398760966 /nfs/dbraw/zinc/76/09/66/398760966.db2.gz NKBRJHOFGWRQSV-ZFWWWQNUSA-N 1 0 324.384 2.845 20 5 DFBDRO Cc1cnc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1 ZINC000591442974 398761574 /nfs/dbraw/zinc/76/15/74/398761574.db2.gz VSBQNDUYZRYFCF-ZIAGYGMSSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000591442767 398761604 /nfs/dbraw/zinc/76/16/04/398761604.db2.gz RWLXKKMDXYUIEF-ZIAGYGMSSA-N 1 0 304.394 2.514 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000591441736 398761646 /nfs/dbraw/zinc/76/16/46/398761646.db2.gz GCDRLERRNRBXBB-ZIAGYGMSSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1ccnc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000591441941 398761663 /nfs/dbraw/zinc/76/16/63/398761663.db2.gz LHDMAOYOQWFDRQ-KGLIPLIRSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H](CCO)CC2)cc1 ZINC000591478558 398767526 /nfs/dbraw/zinc/76/75/26/398767526.db2.gz HNSYPAKVGFBOSE-HNNXBMFYSA-N 1 0 322.405 2.848 20 5 DFBDRO Cc1cc(C(=O)N(C)C(C)(C)C[NH+]2CCCC2)cc([N+](=O)[O-])c1 ZINC000416108197 295921576 /nfs/dbraw/zinc/92/15/76/295921576.db2.gz PTSGAKPTJGVIFM-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000591529522 398770171 /nfs/dbraw/zinc/77/01/71/398770171.db2.gz GWOZQCUBSIJKME-ZDUSSCGKSA-N 1 0 319.405 2.672 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000591651833 398778632 /nfs/dbraw/zinc/77/86/32/398778632.db2.gz YOXGPUQFIGICEP-CYBMUJFWSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236939916 202082827 /nfs/dbraw/zinc/08/28/27/202082827.db2.gz IQIFFYLHORWHDP-NOZJJQNGSA-N 1 0 313.785 2.580 20 5 DFBDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236992578 202112982 /nfs/dbraw/zinc/11/29/82/202112982.db2.gz IQIFFYLHORWHDP-ZANVPECISA-N 1 0 313.785 2.580 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922142 213176759 /nfs/dbraw/zinc/17/67/59/213176759.db2.gz PGGXUOMWJVFOHZ-MLGOLLRUSA-N 1 0 308.378 2.850 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000276899257 213162483 /nfs/dbraw/zinc/16/24/83/213162483.db2.gz LOEMZNZSRIISAS-DZGCQCFKSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(CN2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000276883098 213153868 /nfs/dbraw/zinc/15/38/68/213153868.db2.gz JCBDEGPTUTVUEQ-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000594439555 398803029 /nfs/dbraw/zinc/80/30/29/398803029.db2.gz RVEPZHTUILODDQ-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCn2ccnc21 ZINC000594496626 398810190 /nfs/dbraw/zinc/81/01/90/398810190.db2.gz PTAOHCUYMKSYKK-SWLSCSKDSA-N 1 0 312.373 2.946 20 5 DFBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000594520242 398815453 /nfs/dbraw/zinc/81/54/53/398815453.db2.gz XZZRPWMXIJCEKA-SECBINFHSA-N 1 0 300.380 2.724 20 5 DFBDRO CC(C)Oc1cccc([C@H](C)[NH2+]CCn2ccc([N+](=O)[O-])n2)c1 ZINC000179663505 199072744 /nfs/dbraw/zinc/07/27/44/199072744.db2.gz OSEKBFYMTCJMLP-ZDUSSCGKSA-N 1 0 318.377 2.929 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000075667359 398816243 /nfs/dbraw/zinc/81/62/43/398816243.db2.gz KZUFQMAISIXTMY-CYBMUJFWSA-N 1 0 311.357 2.503 20 5 DFBDRO CC(C)N(CC(N)=O)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000179658368 199071056 /nfs/dbraw/zinc/07/10/56/199071056.db2.gz LPFYYVGKQHTYJO-UHFFFAOYSA-N 1 0 317.345 2.551 20 5 DFBDRO CCC[NH+]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000051228446 398819233 /nfs/dbraw/zinc/81/92/33/398819233.db2.gz KXDDMVXIDNSKSG-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000594592780 398826480 /nfs/dbraw/zinc/82/64/80/398826480.db2.gz WWGFMPPRMNMAJD-JGZJWPJOSA-N 1 0 315.320 2.948 20 5 DFBDRO O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc([N+](=O)[O-])s1 ZINC000598562135 398832105 /nfs/dbraw/zinc/83/21/05/398832105.db2.gz UNDYKRVJQZIZMD-GFCCVEGCSA-N 1 0 323.418 2.508 20 5 DFBDRO C[C@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000594615904 398834737 /nfs/dbraw/zinc/83/47/37/398834737.db2.gz XIDKQQYJRJUHMW-VHSXEESVSA-N 1 0 306.391 2.845 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000052486046 398841872 /nfs/dbraw/zinc/84/18/72/398841872.db2.gz UFGUTRAGNVBKII-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO COc1cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000594697243 398843768 /nfs/dbraw/zinc/84/37/68/398843768.db2.gz PDEYPJOFZHBHFW-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N2CC[C@H](C)[C@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000598633539 398844119 /nfs/dbraw/zinc/84/41/19/398844119.db2.gz BGVOWMSMKJWOEQ-AAEUAGOBSA-N 1 0 315.373 2.906 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000598647040 398846925 /nfs/dbraw/zinc/84/69/25/398846925.db2.gz JSVZRGQGKDEEJZ-CQSZACIVSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780199 299274516 /nfs/dbraw/zinc/27/45/16/299274516.db2.gz MHDVFXWTTBBTLM-YPMHNXCESA-N 1 0 321.377 2.666 20 5 DFBDRO COCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000052607866 398847689 /nfs/dbraw/zinc/84/76/89/398847689.db2.gz QVJOTZFCDZGTQQ-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO COc1cc(C[N@@H+]2CC(C)(C)CC[C@H]2CO)ccc1[N+](=O)[O-] ZINC000598648791 398847811 /nfs/dbraw/zinc/84/78/11/398847811.db2.gz SFVFUEPPSXIHGT-ZDUSSCGKSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)(NC(=O)CC[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1 ZINC000598664387 398850490 /nfs/dbraw/zinc/85/04/90/398850490.db2.gz FXSLLVUVZHNRIQ-CYBMUJFWSA-N 1 0 319.405 2.726 20 5 DFBDRO C[C@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594733507 398851387 /nfs/dbraw/zinc/85/13/87/398851387.db2.gz WSYSOASEPZQCTN-CYBMUJFWSA-N 1 0 313.304 2.558 20 5 DFBDRO O=[N+]([O-])c1cc(CN2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000594735677 398851840 /nfs/dbraw/zinc/85/18/40/398851840.db2.gz MYWJFOVZZUKDCZ-CQSZACIVSA-N 1 0 309.435 2.868 20 5 DFBDRO COc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(OC)c1O ZINC000237318332 202229294 /nfs/dbraw/zinc/22/92/94/202229294.db2.gz GZIGMQHLTCTQEE-UHFFFAOYSA-N 1 0 318.329 2.607 20 5 DFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000076421483 398856018 /nfs/dbraw/zinc/85/60/18/398856018.db2.gz BEIDGMUWFROFMQ-ZDUSSCGKSA-N 1 0 308.382 2.693 20 5 DFBDRO CC1CC[NH+](CCN2CCc3c(cccc3[N+](=O)[O-])C2)CC1 ZINC000153150081 283355025 /nfs/dbraw/zinc/35/50/25/283355025.db2.gz LDLCDFMSIIYCSJ-UHFFFAOYSA-N 1 0 303.406 2.685 20 5 DFBDRO CC(C)OC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153224212 283358562 /nfs/dbraw/zinc/35/85/62/283358562.db2.gz BWJTZEPOOGOJFZ-UHFFFAOYSA-N 1 0 306.362 2.901 20 5 DFBDRO Cc1c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000180604969 199183694 /nfs/dbraw/zinc/18/36/94/199183694.db2.gz XCKPHCQYISDPLH-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[NH+](CC4CC4)CC3)ccc2c1 ZINC000076871017 398873426 /nfs/dbraw/zinc/87/34/26/398873426.db2.gz RMWIPBROTCZTGL-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000594929616 398874058 /nfs/dbraw/zinc/87/40/58/398874058.db2.gz LDWWYVCWSRUQLK-VBNZEHGJSA-N 1 0 320.389 2.705 20 5 DFBDRO COc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC000594917975 398871205 /nfs/dbraw/zinc/87/12/05/398871205.db2.gz NSBYLWDMRLXFHV-UHFFFAOYSA-N 1 0 316.361 2.504 20 5 DFBDRO CC(C)C(=O)NC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000076968691 398877597 /nfs/dbraw/zinc/87/75/97/398877597.db2.gz XMCAMJXLKHDQDN-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnc2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594935911 398876469 /nfs/dbraw/zinc/87/64/69/398876469.db2.gz IDFWGOIHYFRNKA-HNNXBMFYSA-N 1 0 300.362 2.978 20 5 DFBDRO Cc1noc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000053639357 398879171 /nfs/dbraw/zinc/87/91/71/398879171.db2.gz VUDDLMAAFOQGLR-UHFFFAOYSA-N 1 0 316.361 2.974 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000594952012 398880251 /nfs/dbraw/zinc/88/02/51/398880251.db2.gz PEJJTMVSYZGBLN-YOEHRIQHSA-N 1 0 322.405 2.859 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000594967905 398883026 /nfs/dbraw/zinc/88/30/26/398883026.db2.gz AIDUPSZYUZUDFA-UMSPYCQHSA-N 1 0 316.304 2.853 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1COc2cc(F)ccc2C1 ZINC000594977981 398885359 /nfs/dbraw/zinc/88/53/59/398885359.db2.gz PBMCPYQVFKGDQU-CQSZACIVSA-N 1 0 302.305 2.827 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000594979070 398885845 /nfs/dbraw/zinc/88/58/45/398885845.db2.gz HRXUZEYJXOJZDE-DOTOQJQBSA-N 1 0 314.389 2.829 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000594981352 398886536 /nfs/dbraw/zinc/88/65/36/398886536.db2.gz YAEBLKVXTJCMTK-NVXWUHKLSA-N 1 0 314.389 2.829 20 5 DFBDRO C[C@]1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCCC[NH2+]1 ZINC000180952815 199233372 /nfs/dbraw/zinc/23/33/72/199233372.db2.gz XIMNDOOSAQVDLT-QGZVFWFLSA-N 1 0 319.405 2.566 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[NH+]1CCCC1 ZINC000595005112 398890189 /nfs/dbraw/zinc/89/01/89/398890189.db2.gz XVNYTVCFQIQUNU-ZDUSSCGKSA-N 1 0 307.394 2.740 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004657 398889973 /nfs/dbraw/zinc/88/99/73/398889973.db2.gz QXAAWBFYBCSFHC-GXTWGEPZSA-N 1 0 307.394 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000140425575 398890701 /nfs/dbraw/zinc/89/07/01/398890701.db2.gz KGYALILLFJISIR-CQSZACIVSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](c2ccccc2)[C@H](C)O)cc1[N+](=O)[O-] ZINC000595009644 398890747 /nfs/dbraw/zinc/89/07/47/398890747.db2.gz ZDNAZSZLBUGICB-YVEFUNNKSA-N 1 0 316.357 2.815 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000276518869 212934575 /nfs/dbraw/zinc/93/45/75/212934575.db2.gz XIYFZWVQFMIRRN-UHFFFAOYSA-N 1 0 305.378 2.543 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(CO)CCC1 ZINC000595044545 398896952 /nfs/dbraw/zinc/89/69/52/398896952.db2.gz BNOFHXWVPCTUQW-GFCCVEGCSA-N 1 0 308.378 2.807 20 5 DFBDRO COC1CC(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000595047635 398897479 /nfs/dbraw/zinc/89/74/79/398897479.db2.gz DKOWOJYSBKDIAH-CVSAEHQPSA-N 1 0 322.409 2.680 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCC2)cc1[N+](=O)[O-] ZINC000595056332 398898729 /nfs/dbraw/zinc/89/87/29/398898729.db2.gz FHBZCWJZXVSIID-BXUZGUMPSA-N 1 0 308.378 2.805 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595062848 398900189 /nfs/dbraw/zinc/90/01/89/398900189.db2.gz WQIWDAXCJJCFON-KBMXLJTQSA-N 1 0 308.378 2.687 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595062849 398900508 /nfs/dbraw/zinc/90/05/08/398900508.db2.gz WQIWDAXCJJCFON-VNQPRFMTSA-N 1 0 308.378 2.687 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H]1CCOC1 ZINC000595062304 398900609 /nfs/dbraw/zinc/90/06/09/398900609.db2.gz VXTQBTLIBXBCSU-HEHGZKQESA-N 1 0 308.378 2.605 20 5 DFBDRO COC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000595071063 398902200 /nfs/dbraw/zinc/90/22/00/398902200.db2.gz NVVBXXZLBZYQNE-CVEARBPZSA-N 1 0 320.389 2.613 20 5 DFBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000595079051 398902489 /nfs/dbraw/zinc/90/24/89/398902489.db2.gz HLXUVJFSZFSOER-KBUPBQIOSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000595079054 398902682 /nfs/dbraw/zinc/90/26/82/398902682.db2.gz HLXUVJFSZFSOER-TUVASFSCSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000595079052 398902907 /nfs/dbraw/zinc/90/29/07/398902907.db2.gz HLXUVJFSZFSOER-KBXIAJHMSA-N 1 0 322.409 2.822 20 5 DFBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)COc2ccccc2O1 ZINC000598985310 398902963 /nfs/dbraw/zinc/90/29/63/398902963.db2.gz MZIGUSZQDABMTG-HNNXBMFYSA-N 1 0 320.370 2.976 20 5 DFBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])COc2ccccc2O1 ZINC000598984817 398903223 /nfs/dbraw/zinc/90/32/23/398903223.db2.gz CIYFREAWYBCQPD-KRWDZBQOSA-N 1 0 314.341 2.915 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099143 398905530 /nfs/dbraw/zinc/90/55/30/398905530.db2.gz DZKMGBATYBTGBQ-CXAGYDPISA-N 1 0 322.405 2.813 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)cc1[N+](=O)[O-] ZINC000280987301 216005381 /nfs/dbraw/zinc/00/53/81/216005381.db2.gz JLIRYGIPZNRUAC-QKVFXAPYSA-N 1 0 310.419 2.855 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2Cc3ccccc3CO2)cs1 ZINC000598989441 398904391 /nfs/dbraw/zinc/90/43/91/398904391.db2.gz INODIQJWERHKGI-AWEZNQCLSA-N 1 0 304.371 2.887 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595105187 398906148 /nfs/dbraw/zinc/90/61/48/398906148.db2.gz RBMDSUKPOJQNDW-CHWSQXEVSA-N 1 0 319.405 2.892 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999965 398906543 /nfs/dbraw/zinc/90/65/43/398906543.db2.gz PJTPGYGZHXIWGC-OAHLLOKOSA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(c3ccsc3)CC2)c1 ZINC000186956825 200037749 /nfs/dbraw/zinc/03/77/49/200037749.db2.gz ZYLHSGVOOOPPRR-UHFFFAOYSA-N 1 0 306.391 2.732 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000077509253 398907897 /nfs/dbraw/zinc/90/78/97/398907897.db2.gz UGWMEOSPDDARGC-UHFFFAOYSA-N 1 0 323.368 2.679 20 5 DFBDRO CCC[NH+]1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599017081 398908132 /nfs/dbraw/zinc/90/81/32/398908132.db2.gz XNTNNBKFYIYDCB-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000599016094 398908180 /nfs/dbraw/zinc/90/81/80/398908180.db2.gz JRYHTBZBKMCNKI-WVSHTKLVSA-N 1 0 316.304 2.711 20 5 DFBDRO C[NH+](C)CC1CCN(c2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599025479 398909979 /nfs/dbraw/zinc/90/99/79/398909979.db2.gz OYKJRGBZOJWNFX-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599037798 398911067 /nfs/dbraw/zinc/91/10/67/398911067.db2.gz DSHBGHFPDFITRL-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)c1 ZINC000599042522 398911514 /nfs/dbraw/zinc/91/15/14/398911514.db2.gz TXPIZBWOBGQFRZ-AWEZNQCLSA-N 1 0 324.743 2.861 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225708 398911776 /nfs/dbraw/zinc/91/17/76/398911776.db2.gz NNLVLTQTQRQKRC-GOEBONIOSA-N 1 0 317.389 2.589 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000599049967 398913390 /nfs/dbraw/zinc/91/33/90/398913390.db2.gz HBPFHRFKPALKKP-CQSZACIVSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@@H]1CCCN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595258155 398913405 /nfs/dbraw/zinc/91/34/05/398913405.db2.gz LYYDCKFVUBRMLN-UKRRQHHQSA-N 1 0 319.405 2.503 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000595258081 398913682 /nfs/dbraw/zinc/91/36/82/398913682.db2.gz INOMXJDMTADKIV-CZUORRHYSA-N 1 0 319.405 2.883 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@]2(C)CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000237557974 202282552 /nfs/dbraw/zinc/28/25/52/202282552.db2.gz PFTDBSWSCKRHRK-LRDDRELGSA-N 1 0 305.378 2.613 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000599094868 398920626 /nfs/dbraw/zinc/92/06/26/398920626.db2.gz ZRHXUKQHJZZWFO-CVEARBPZSA-N 1 0 317.389 2.789 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000237756581 202347633 /nfs/dbraw/zinc/34/76/33/202347633.db2.gz HBCNYPOOCHQLRO-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO COC(=O)CCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595338452 398924392 /nfs/dbraw/zinc/92/43/92/398924392.db2.gz IEIZZHDMHXRPJD-UHFFFAOYSA-N 1 0 324.352 2.899 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000238118000 202443228 /nfs/dbraw/zinc/44/32/28/202443228.db2.gz TYJMQNQNOHKFKV-UHFFFAOYSA-N 1 0 305.378 2.637 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189194480 200361947 /nfs/dbraw/zinc/36/19/47/200361947.db2.gz UNJKRBOQVKJVQS-MRXNPFEDSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@H]3CCCO3)CC2)c1 ZINC000189202043 200363295 /nfs/dbraw/zinc/36/32/95/200363295.db2.gz PXLWWXOUBBWEIR-DLBZAZTESA-N 1 0 320.389 2.519 20 5 DFBDRO O=[N+]([O-])c1c(NC[C@@H]2CC[N@@H+]2C2CCCC2)nc2sccn21 ZINC000599163146 398932082 /nfs/dbraw/zinc/93/20/82/398932082.db2.gz CAFFGCMEEFHNQF-NSHDSACASA-N 1 0 321.406 2.733 20 5 DFBDRO COC[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417325225 296010109 /nfs/dbraw/zinc/01/01/09/296010109.db2.gz DEDKPJHJMGVGGX-GDBMZVCRSA-N 1 0 308.378 2.613 20 5 DFBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@H]1CCOC1 ZINC000595403835 398932899 /nfs/dbraw/zinc/93/28/99/398932899.db2.gz JKAVUFGFEVEIKB-WMLDXEAASA-N 1 0 320.389 2.611 20 5 DFBDRO CO[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCOC1 ZINC000417344229 296012259 /nfs/dbraw/zinc/01/22/59/296012259.db2.gz PTMMBTYGBARQCO-DLBZAZTESA-N 1 0 320.389 2.757 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)CN1CCOCC1 ZINC000153226801 398935227 /nfs/dbraw/zinc/93/52/27/398935227.db2.gz HOMAYXAFTPGLGW-UKRRQHHQSA-N 1 0 321.421 2.522 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](CO)C1CC1)CCCC2 ZINC000417351371 296012883 /nfs/dbraw/zinc/01/28/83/296012883.db2.gz RPLLMZOSPGBWQN-RHSMWYFYSA-N 1 0 304.390 2.970 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)CC(C)C ZINC000417360234 296013718 /nfs/dbraw/zinc/01/37/18/296013718.db2.gz JTAIJZGAZRNSHN-ZNMIVQPWSA-N 1 0 324.425 2.926 20 5 DFBDRO NC(=O)C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595430687 398936842 /nfs/dbraw/zinc/93/68/42/398936842.db2.gz KMUJGSOKNKZEDU-AWEZNQCLSA-N 1 0 323.368 2.648 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000417387823 296015631 /nfs/dbraw/zinc/01/56/31/296015631.db2.gz VAVRQQDYNZWWFL-CYBMUJFWSA-N 1 0 322.405 2.813 20 5 DFBDRO Cc1noc(CN(C)C(C)(C)C[NH+]2CCCCCC2)c1[N+](=O)[O-] ZINC000595451232 398941184 /nfs/dbraw/zinc/94/11/84/398941184.db2.gz XZKJDQJQVYQTDT-UHFFFAOYSA-N 1 0 324.425 2.978 20 5 DFBDRO COc1cc(N2CCC[N@H+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000078255966 398944155 /nfs/dbraw/zinc/94/41/55/398944155.db2.gz ZKLZEGNBKQZRKP-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000155326966 398945785 /nfs/dbraw/zinc/94/57/85/398945785.db2.gz OMDNBNRLPJYNLT-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)Cc1onc(C)c1[N+](=O)[O-] ZINC000595485369 398948545 /nfs/dbraw/zinc/94/85/45/398948545.db2.gz WUKWDQGKMHFKFU-UHFFFAOYSA-N 1 0 310.398 2.589 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505818 398953429 /nfs/dbraw/zinc/95/34/29/398953429.db2.gz VRHNZTTXZZBBIA-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000191620173 200731273 /nfs/dbraw/zinc/73/12/73/200731273.db2.gz VPRGUWNOERFDTL-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1Cl ZINC000078455380 398957272 /nfs/dbraw/zinc/95/72/72/398957272.db2.gz ZZBOZEKXPRUPKG-LLVKDONJSA-N 1 0 312.801 2.954 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000595536940 398959365 /nfs/dbraw/zinc/95/93/65/398959365.db2.gz XZGXPOJAYCZXAF-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000595536941 398959386 /nfs/dbraw/zinc/95/93/86/398959386.db2.gz XZGXPOJAYCZXAF-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CC(C)[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000193215194 201007772 /nfs/dbraw/zinc/00/77/72/201007772.db2.gz MABBIRXGBVXUKV-HNNXBMFYSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(CO)c1 ZINC000271879590 209290242 /nfs/dbraw/zinc/29/02/42/209290242.db2.gz HZOONOAXPAYXBR-CYBMUJFWSA-N 1 0 300.358 2.980 20 5 DFBDRO Cc1cnc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000078625757 398974634 /nfs/dbraw/zinc/97/46/34/398974634.db2.gz MGRCKQZDOVQAHL-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO O=C(CC[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000595565116 398974908 /nfs/dbraw/zinc/97/49/08/398974908.db2.gz BEAOZORYSOFTDW-WFASDCNBSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000193667865 201099719 /nfs/dbraw/zinc/09/97/19/201099719.db2.gz GBLMMGZJLIVHRV-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000193871157 201135832 /nfs/dbraw/zinc/13/58/32/201135832.db2.gz QDKLMOSFMRCDKI-GZBFAFLISA-N 1 0 306.362 2.977 20 5 DFBDRO C[C@]1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCS1 ZINC000600155888 398976896 /nfs/dbraw/zinc/97/68/96/398976896.db2.gz KDEOWSYRIQAJDP-CQSZACIVSA-N 1 0 306.391 2.846 20 5 DFBDRO COC(=O)CC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000281495806 216340179 /nfs/dbraw/zinc/34/01/79/216340179.db2.gz QVMAACPRCSTFLN-UHFFFAOYSA-N 1 0 318.373 2.903 20 5 DFBDRO COCCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000599504326 398997316 /nfs/dbraw/zinc/99/73/16/398997316.db2.gz JALBBKQJBUVWNQ-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000195485519 201394853 /nfs/dbraw/zinc/39/48/53/201394853.db2.gz QYUZOSWEUYGHPW-NSHDSACASA-N 1 0 319.386 2.970 20 5 DFBDRO COc1ccc(C[NH2+]CC2([C@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000271840724 209260119 /nfs/dbraw/zinc/26/01/19/209260119.db2.gz QQXVOXAQZURQKD-CYBMUJFWSA-N 1 0 322.405 2.882 20 5 DFBDRO Cc1cc(N(C)CC2(CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000275487598 212367098 /nfs/dbraw/zinc/36/70/98/212367098.db2.gz QSWFZMSSNTUHHO-UHFFFAOYSA-N 1 0 301.346 2.660 20 5 DFBDRO C[C@H](NC(=O)NCC1([NH3+])CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000417974957 296068361 /nfs/dbraw/zinc/06/83/61/296068361.db2.gz DXHOQFDNXDTGRV-LBPRGKRZSA-N 1 0 320.393 2.617 20 5 DFBDRO Cc1cccc(NCC2([NH+]3CCCC3)CCOCC2)c1[N+](=O)[O-] ZINC000275450515 212342082 /nfs/dbraw/zinc/34/20/82/212342082.db2.gz LMAPGBPFWAZSCH-UHFFFAOYSA-N 1 0 319.405 2.960 20 5 DFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1csc([N+](=O)[O-])c1 ZINC000600230112 399014734 /nfs/dbraw/zinc/01/47/34/399014734.db2.gz ZKCLTTUENCZPRW-ZDUSSCGKSA-N 1 0 323.418 2.793 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677639 399031311 /nfs/dbraw/zinc/03/13/11/399031311.db2.gz PPHDDYUVQLHTHU-HIFRSBDPSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000599625046 399032560 /nfs/dbraw/zinc/03/25/60/399032560.db2.gz LBXCBNJRTZYZTJ-BCUIYNNISA-N 1 0 308.378 2.765 20 5 DFBDRO C[C@@H](NC(=O)/C=C\c1ccccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000255396503 283877174 /nfs/dbraw/zinc/87/71/74/283877174.db2.gz CLAQQUQHVKLLFW-BSYHEUMXSA-N 1 0 319.405 2.701 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595699834 399042782 /nfs/dbraw/zinc/04/27/82/399042782.db2.gz ONMUCQOOBPVRLF-HIFRSBDPSA-N 1 0 322.405 2.976 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]2CCC[C@@H]21 ZINC000599656174 399049076 /nfs/dbraw/zinc/04/90/76/399049076.db2.gz ZZGYDZOFNVKHEA-OAGGEKHMSA-N 1 0 318.373 2.758 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000271787769 209216422 /nfs/dbraw/zinc/21/64/22/209216422.db2.gz PZXWAZDTVBZJLJ-QGZVFWFLSA-N 1 0 300.358 2.851 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c(Cl)c1 ZINC000595749116 399069445 /nfs/dbraw/zinc/06/94/45/399069445.db2.gz DYAQOHZPBARMJP-HNNXBMFYSA-N 1 0 310.781 2.985 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755265 399069735 /nfs/dbraw/zinc/06/97/35/399069735.db2.gz JXFTTXWQEKSDTI-STQMWFEESA-N 1 0 323.368 2.993 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@](O)(C3CC3)C2)cc1 ZINC000595753316 399070336 /nfs/dbraw/zinc/07/03/36/399070336.db2.gz YOQHHDDPERFNBB-QGZVFWFLSA-N 1 0 320.389 2.601 20 5 DFBDRO Cn1cc(C[NH+]2CCCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000092106845 193160177 /nfs/dbraw/zinc/16/01/77/193160177.db2.gz KIPNZZPCWMANLP-UHFFFAOYSA-N 1 0 300.362 2.981 20 5 DFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C12CCC2 ZINC000595777841 399081519 /nfs/dbraw/zinc/08/15/19/399081519.db2.gz KOORNUOQAOLYOT-QWHCGFSZSA-N 1 0 322.409 2.507 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000618324075 399082877 /nfs/dbraw/zinc/08/28/77/399082877.db2.gz YWUDTNRNVBCNST-INIZCTEOSA-N 1 0 319.361 2.863 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000595782248 399082801 /nfs/dbraw/zinc/08/28/01/399082801.db2.gz IGNORQWKIRPRFS-VXGBXAGGSA-N 1 0 305.378 2.704 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000261734911 203105430 /nfs/dbraw/zinc/10/54/30/203105430.db2.gz RPFALIQCXYATDI-YUTCNCBUSA-N 1 0 303.362 2.762 20 5 DFBDRO CC(C)CC1([NH2+][C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000595832273 399104456 /nfs/dbraw/zinc/10/44/56/399104456.db2.gz VWQPVFLNWQOAAQ-OAHLLOKOSA-N 1 0 317.389 2.868 20 5 DFBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2c([N+](=O)[O-])ncn2C)cc1 ZINC000419332113 296135004 /nfs/dbraw/zinc/13/50/04/296135004.db2.gz JVCXGPABIWPXPL-UHFFFAOYSA-N 1 0 302.378 2.748 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000419339525 296135767 /nfs/dbraw/zinc/13/57/67/296135767.db2.gz UQCWQSNJKRXCCO-HUUCEWRRSA-N 1 0 321.421 2.903 20 5 DFBDRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000419369997 296137367 /nfs/dbraw/zinc/13/73/67/296137367.db2.gz ISJWAULJDYSJHG-JHJVBQTASA-N 1 0 305.378 2.534 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419380425 296137993 /nfs/dbraw/zinc/13/79/93/296137993.db2.gz XKJOHRNBAFPMAR-YVECIDJPSA-N 1 0 305.378 2.898 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419380422 296138201 /nfs/dbraw/zinc/13/82/01/296138201.db2.gz XKJOHRNBAFPMAR-FDYHWXHSSA-N 1 0 305.378 2.898 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000060208505 399118663 /nfs/dbraw/zinc/11/86/63/399118663.db2.gz VUGBVMWJGMLGBM-UHFFFAOYSA-N 1 0 313.357 2.803 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCCOc1ccccc1[N+](=O)[O-] ZINC000595873609 399119111 /nfs/dbraw/zinc/11/91/11/399119111.db2.gz NOCLIYSNUUXONX-UHFFFAOYSA-N 1 0 309.410 2.684 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708260 399120291 /nfs/dbraw/zinc/12/02/91/399120291.db2.gz DUZLIRXBLCFAFD-SGMGOOAPSA-N 1 0 307.394 2.785 20 5 DFBDRO CCC[C@H](NCC1([NH3+])CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000600709007 399120883 /nfs/dbraw/zinc/12/08/83/399120883.db2.gz MZXOVZQQPQATDV-HNNXBMFYSA-N 1 0 307.394 2.534 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])N[C@@H]1CC[NH2+][C@H]1C ZINC000600715503 399121713 /nfs/dbraw/zinc/12/17/13/399121713.db2.gz ZEKBCQQLSORVQW-RWMBFGLXSA-N 1 0 309.435 2.806 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000618448142 399122193 /nfs/dbraw/zinc/12/21/93/399122193.db2.gz WQBHDRMJYGNMMU-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534330 193266261 /nfs/dbraw/zinc/26/62/61/193266261.db2.gz LNXPRRFVGGIKSL-GFCCVEGCSA-N 1 0 302.334 2.578 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600723602 399125125 /nfs/dbraw/zinc/12/51/25/399125125.db2.gz CKWBRILZTBTHFE-WCQYABFASA-N 1 0 317.311 2.554 20 5 DFBDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000060361127 399125795 /nfs/dbraw/zinc/12/57/95/399125795.db2.gz KRCYIOPEHFGOCI-HNNXBMFYSA-N 1 0 319.405 2.579 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000060404754 399129230 /nfs/dbraw/zinc/12/92/30/399129230.db2.gz FSYFNXAMPZZMPV-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000419924922 296151797 /nfs/dbraw/zinc/15/17/97/296151797.db2.gz RUCMZCYLAMCTSH-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CC[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000340526241 284189472 /nfs/dbraw/zinc/18/94/72/284189472.db2.gz OWRCKVPBTVZFCI-TZMCWYRMSA-N 1 0 303.366 2.624 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906615 399130546 /nfs/dbraw/zinc/13/05/46/399130546.db2.gz MBUBPCZSMPXRIH-LSDHHAIUSA-N 1 0 321.421 2.698 20 5 DFBDRO [NH3+]C1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 ZINC000420131195 296159379 /nfs/dbraw/zinc/15/93/79/296159379.db2.gz YPUSWSPDTVXEDE-UHFFFAOYSA-N 1 0 316.336 2.723 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CCCC1 ZINC000595942775 399140530 /nfs/dbraw/zinc/14/05/30/399140530.db2.gz YQNPNVGNXWWPLS-UHFFFAOYSA-N 1 0 319.386 2.811 20 5 DFBDRO C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H]1C[NH3+] ZINC000420184540 296160958 /nfs/dbraw/zinc/16/09/58/296160958.db2.gz JOJLLRDEZXUASB-SKDRFNHKSA-N 1 0 315.320 2.760 20 5 DFBDRO Cc1ccc2nc(C[NH2+]CCc3ccccc3[N+](=O)[O-])cn2c1 ZINC000341006827 284227523 /nfs/dbraw/zinc/22/75/23/284227523.db2.gz DEXZNNBDPGAQKI-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)NC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000060624351 399139781 /nfs/dbraw/zinc/13/97/81/399139781.db2.gz XERZWQNCCSORMY-AWEZNQCLSA-N 1 0 321.421 2.764 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1c1cc(C)nc2c1cccc2[N+](=O)[O-] ZINC000420210201 296162462 /nfs/dbraw/zinc/16/24/62/296162462.db2.gz NKDSFOZLLMKMAN-LBPRGKRZSA-N 1 0 300.362 2.640 20 5 DFBDRO [NH3+]C[C@@H]1CCC[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420194811 296161751 /nfs/dbraw/zinc/16/17/51/296161751.db2.gz KFJPFPFAGDPSAU-WCBMZHEXSA-N 1 0 301.293 2.736 20 5 DFBDRO CCOC(=O)c1cc(N(C)CC[C@@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000420211076 296162683 /nfs/dbraw/zinc/16/26/83/296162683.db2.gz VPOLSJINMPHYQO-CQSZACIVSA-N 1 0 323.393 2.581 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420216581 296162950 /nfs/dbraw/zinc/16/29/50/296162950.db2.gz MGBIIPPEXLZIGJ-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420218781 296163169 /nfs/dbraw/zinc/16/31/69/296163169.db2.gz OPQUDUVBCGTXAH-SWKMLJDHSA-N 1 0 315.377 2.789 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1nc2sccn2c1[N+](=O)[O-] ZINC000420221435 296163322 /nfs/dbraw/zinc/16/33/22/296163322.db2.gz ZMAOGHFDOLGMOI-IXBNRNDTSA-N 1 0 321.406 2.622 20 5 DFBDRO CCOc1cccc(N2CCC3(C2)CC[NH2+]CC3)c1[N+](=O)[O-] ZINC000420229333 296163990 /nfs/dbraw/zinc/16/39/90/296163990.db2.gz UQSTXXWKIFRZTB-UHFFFAOYSA-N 1 0 305.378 2.573 20 5 DFBDRO Cc1nn(C)c(NCCC[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000060817381 399143885 /nfs/dbraw/zinc/14/38/85/399143885.db2.gz ODZXCMKZDCFNJB-UHFFFAOYSA-N 1 0 317.393 2.571 20 5 DFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]12 ZINC000420226375 296163571 /nfs/dbraw/zinc/16/35/71/296163571.db2.gz GNZRQIXXPGWFHE-RBSFLKMASA-N 1 0 324.384 2.830 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420226621 296163578 /nfs/dbraw/zinc/16/35/78/296163578.db2.gz ANPXLCUVZGXHEQ-GXTWGEPZSA-N 1 0 312.373 2.830 20 5 DFBDRO [NH3+]CC1(c2cccc(-c3ccc([N+](=O)[O-])nc3)c2)CCOCC1 ZINC000600787947 399145552 /nfs/dbraw/zinc/14/55/52/399145552.db2.gz AHCXCDPHYPTWMU-UHFFFAOYSA-N 1 0 313.357 2.664 20 5 DFBDRO CCOc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420243212 296165154 /nfs/dbraw/zinc/16/51/54/296165154.db2.gz CKTMVURXPLKOBO-INIZCTEOSA-N 1 0 305.378 2.573 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420246119 296165493 /nfs/dbraw/zinc/16/54/93/296165493.db2.gz RPWXUMAXYAMHTP-OCAPTIKFSA-N 1 0 302.161 2.557 20 5 DFBDRO Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420251558 296165855 /nfs/dbraw/zinc/16/58/55/296165855.db2.gz WWFWXMWRNHFONB-AOOOYVTPSA-N 1 0 315.295 2.578 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000596012866 399148066 /nfs/dbraw/zinc/14/80/66/399148066.db2.gz BSWCMCPHOOUCTF-UONOGXRCSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420254897 296166081 /nfs/dbraw/zinc/16/60/81/296166081.db2.gz DXGZTWOXVIBDHK-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@@H](C[NH3+])C1 ZINC000420263573 296167013 /nfs/dbraw/zinc/16/70/13/296167013.db2.gz UDHZPCAIMKDLOZ-MWLCHTKSSA-N 1 0 315.320 2.760 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000596016413 399148934 /nfs/dbraw/zinc/14/89/34/399148934.db2.gz RKKAZUNSQNZRTG-ZDUSSCGKSA-N 1 0 305.378 2.572 20 5 DFBDRO CCC(=O)c1ccc(N[C@H](CC[NH3+])C(F)F)c([N+](=O)[O-])c1 ZINC000420259333 296166540 /nfs/dbraw/zinc/16/65/40/296166540.db2.gz HLYJAJGTWUQSRL-SNVBAGLBSA-N 1 0 301.293 2.582 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)C1CC([NH3+])C1 ZINC000420273759 296168192 /nfs/dbraw/zinc/16/81/92/296168192.db2.gz FHAGHLPARWBULU-UHFFFAOYSA-N 1 0 316.336 2.722 20 5 DFBDRO Cc1nc(N[C@H](CCC[NH3+])c2ccccc2)ncc1[N+](=O)[O-] ZINC000420266381 296167369 /nfs/dbraw/zinc/16/73/69/296167369.db2.gz CJWBTBUNIFZRFA-CYBMUJFWSA-N 1 0 301.350 2.585 20 5 DFBDRO CCOC(=O)c1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420268929 296167657 /nfs/dbraw/zinc/16/76/57/296167657.db2.gz AVIQLXSAXUEWJM-NWDGAFQWSA-N 1 0 321.377 2.701 20 5 DFBDRO CCOc1cccc(N2CCC([C@H]3CC[NH2+]C3)CC2)c1[N+](=O)[O-] ZINC000420269677 296167667 /nfs/dbraw/zinc/16/76/67/296167667.db2.gz YAHBFGFRVVSGSM-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000420268924 296167680 /nfs/dbraw/zinc/16/76/80/296167680.db2.gz AVIQLXSAXUEWJM-NEPJUHHUSA-N 1 0 321.377 2.701 20 5 DFBDRO Cc1cc(N2CC[C@H](C)[C@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420277953 296168341 /nfs/dbraw/zinc/16/83/41/296168341.db2.gz ISBVZYZQTUKZTA-WCQYABFASA-N 1 0 314.389 2.873 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420286189 296169257 /nfs/dbraw/zinc/16/92/57/296169257.db2.gz WEWRWZPXVDRCEE-SCZZXKLOSA-N 1 0 303.284 2.705 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCCC[C@H]1CCC[NH2+]1 ZINC000420290687 296170007 /nfs/dbraw/zinc/17/00/07/296170007.db2.gz VATCUYQUXAQMCN-GFCCVEGCSA-N 1 0 300.362 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCOCCF)o2)cc1 ZINC000596057359 399158067 /nfs/dbraw/zinc/15/80/67/399158067.db2.gz MZLRAKPJFXRPQR-UHFFFAOYSA-N 1 0 308.309 2.931 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccccc1[N+](=O)[O-] ZINC000264943132 204291132 /nfs/dbraw/zinc/29/11/32/204291132.db2.gz IBWGDHHKSKWVAZ-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)c([N+](=O)[O-])s1 ZINC000596059050 399159024 /nfs/dbraw/zinc/15/90/24/399159024.db2.gz MFQSGKMPBCKDPJ-GFCCVEGCSA-N 1 0 313.423 2.733 20 5 DFBDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000264959041 204302462 /nfs/dbraw/zinc/30/24/62/204302462.db2.gz ZJALYLGXAXLCSA-SNVBAGLBSA-N 1 0 321.402 2.880 20 5 DFBDRO Cc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596069562 399162149 /nfs/dbraw/zinc/16/21/49/399162149.db2.gz MMPHGXBHIDKJRI-QWRGUYRKSA-N 1 0 313.423 2.876 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC[C@@H]1CCOC1)CCC2 ZINC000618568500 399162479 /nfs/dbraw/zinc/16/24/79/399162479.db2.gz XRTKTMSFAOQYHD-CXAGYDPISA-N 1 0 320.389 2.615 20 5 DFBDRO Cc1nn(Cc2cccc3c2CC[NH2+]C3)c2ccc([N+](=O)[O-])cc12 ZINC000596071853 399163509 /nfs/dbraw/zinc/16/35/09/399163509.db2.gz TWNLGEMARSTWST-UHFFFAOYSA-N 1 0 322.368 2.947 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cnccn2)cc1[N+](=O)[O-] ZINC000341886082 284282575 /nfs/dbraw/zinc/28/25/75/284282575.db2.gz MZDREBZUTOYEAU-GFCCVEGCSA-N 1 0 316.361 2.677 20 5 DFBDRO C[C@H]1CCC[C@](CNc2cc[nH]c(=O)c2[N+](=O)[O-])([NH+](C)C)C1 ZINC000596089240 399169530 /nfs/dbraw/zinc/16/95/30/399169530.db2.gz XBMPUAPFONTFNS-NHYWBVRUSA-N 1 0 308.382 2.618 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000062428502 399171137 /nfs/dbraw/zinc/17/11/37/399171137.db2.gz OJWXBXRRMAFKDB-ZDUSSCGKSA-N 1 0 320.393 2.837 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[C@H]1F ZINC000596106273 399175211 /nfs/dbraw/zinc/17/52/11/399175211.db2.gz NOYFJQLEWFRZPS-ZIAGYGMSSA-N 1 0 319.336 2.726 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397648 296186063 /nfs/dbraw/zinc/18/60/63/296186063.db2.gz MTEHHMBSFGCHAA-SWLSCSKDSA-N 1 0 307.369 2.698 20 5 DFBDRO Cc1c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000420413070 296188008 /nfs/dbraw/zinc/18/80/08/296188008.db2.gz ZNJWRHYAJJIUFT-RHSMWYFYSA-N 1 0 303.406 2.867 20 5 DFBDRO COc1cccc([C@@H](C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000271699784 209136560 /nfs/dbraw/zinc/13/65/60/209136560.db2.gz SHIWXNOOSBESPU-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@@H]1C(F)(F)F ZINC000600951800 399185100 /nfs/dbraw/zinc/18/51/00/399185100.db2.gz HWEJGFSLXIBNSQ-YUMQZZPRSA-N 1 0 309.313 2.620 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600951746 399185777 /nfs/dbraw/zinc/18/57/77/399185777.db2.gz MTUFMBJIVDDGDU-PSASIEDQSA-N 1 0 321.274 2.697 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000266128297 205121509 /nfs/dbraw/zinc/12/15/09/205121509.db2.gz CCUGBCLSWAIKAS-INIZCTEOSA-N 1 0 320.345 2.584 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000600958964 399187358 /nfs/dbraw/zinc/18/73/58/399187358.db2.gz NRSRCBHIQAHZMS-SNVBAGLBSA-N 1 0 315.320 2.904 20 5 DFBDRO Cc1cc(NC[C@@]2([NH+](C)C)CCSC2)c([N+](=O)[O-])s1 ZINC000596149743 399191572 /nfs/dbraw/zinc/19/15/72/399191572.db2.gz PYHKCJOXOIJKLU-LBPRGKRZSA-N 1 0 301.437 2.814 20 5 DFBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)o1 ZINC000266174611 205158902 /nfs/dbraw/zinc/15/89/02/205158902.db2.gz SKHHWPILLZMOSP-AWEZNQCLSA-N 1 0 310.375 2.863 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000266161429 205149024 /nfs/dbraw/zinc/14/90/24/205149024.db2.gz ZSOOVDWSQXTAMI-QWHCGFSZSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)c1ccco1 ZINC000266170343 205155028 /nfs/dbraw/zinc/15/50/28/205155028.db2.gz QVIDDCFTJJUHIB-AWEZNQCLSA-N 1 0 310.737 2.839 20 5 DFBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000266169402 205155115 /nfs/dbraw/zinc/15/51/15/205155115.db2.gz QROWERAIKBHCFR-MRXNPFEDSA-N 1 0 304.346 2.802 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000266187664 205169811 /nfs/dbraw/zinc/16/98/11/205169811.db2.gz FFIOHXCLIRDWLA-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080958700 399194537 /nfs/dbraw/zinc/19/45/37/399194537.db2.gz GQTWPHQDDLSNGU-CYBMUJFWSA-N 1 0 316.361 2.576 20 5 DFBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000063618724 399197835 /nfs/dbraw/zinc/19/78/35/399197835.db2.gz QKESWIOGZHLBAM-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cn2)Cc2ccccc2C1 ZINC000266257371 205219838 /nfs/dbraw/zinc/21/98/38/205219838.db2.gz OCMBXRABEDYMQK-UHFFFAOYSA-N 1 0 312.373 2.501 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])c1 ZINC000063618489 399198129 /nfs/dbraw/zinc/19/81/29/399198129.db2.gz FFVQIPMMEUKYAE-AWEZNQCLSA-N 1 0 321.377 2.662 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000420635323 296194774 /nfs/dbraw/zinc/19/47/74/296194774.db2.gz MGUSDZUQRXSFIQ-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601018734 399204108 /nfs/dbraw/zinc/20/41/08/399204108.db2.gz PMIWQHNAYHTUCR-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000342636015 284383062 /nfs/dbraw/zinc/38/30/62/284383062.db2.gz LCQJLPLNNZXDSV-UHFFFAOYSA-N 1 0 303.318 2.648 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccnn2CC2CCC2)cc1 ZINC000601100805 399226460 /nfs/dbraw/zinc/22/64/60/399226460.db2.gz HWUZOCDHLCTGMP-UHFFFAOYSA-N 1 0 300.362 2.881 20 5 DFBDRO COCCc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000601101731 399226856 /nfs/dbraw/zinc/22/68/56/399226856.db2.gz XEUYOXMKLSCPDT-UHFFFAOYSA-N 1 0 307.375 2.530 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000064568732 399228105 /nfs/dbraw/zinc/22/81/05/399228105.db2.gz HWKAMMAZUZVJBX-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO CC(C)n1ncnc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000601109769 399229468 /nfs/dbraw/zinc/22/94/68/399229468.db2.gz YSQAGKLJIAESSZ-UHFFFAOYSA-N 1 0 317.393 2.880 20 5 DFBDRO COc1ccc(C[N@H+](CCO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000064845347 399233696 /nfs/dbraw/zinc/23/36/96/399233696.db2.gz SOWNUEFZXTYMFL-UHFFFAOYSA-N 1 0 316.357 2.598 20 5 DFBDRO COCCc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000601118139 399232670 /nfs/dbraw/zinc/23/26/70/399232670.db2.gz HYDUYBCLWWHOQZ-UHFFFAOYSA-N 1 0 321.402 2.838 20 5 DFBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000601151173 399242679 /nfs/dbraw/zinc/24/26/79/399242679.db2.gz QRRNYVNVNYMDML-ZZRASVEWSA-N 1 0 304.268 2.509 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000022806670 182336303 /nfs/dbraw/zinc/33/63/03/182336303.db2.gz ULSUHILWQDLTAG-HNNXBMFYSA-N 1 0 300.362 2.575 20 5 DFBDRO C[C@@](CO)([NH2+]Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000601149806 399241791 /nfs/dbraw/zinc/24/17/91/399241791.db2.gz PVXRBOKORNHCKE-INIZCTEOSA-N 1 0 304.321 2.731 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000065674525 399249105 /nfs/dbraw/zinc/24/91/05/399249105.db2.gz HEWXHAIKLSCPTJ-WDEREUQCSA-N 1 0 311.407 2.507 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3nccc4c3cccc4[N+](=O)[O-])C[C@@H]2C1 ZINC000601184339 399250129 /nfs/dbraw/zinc/25/01/29/399250129.db2.gz KGCPELVTIBPOPR-OLZOCXBDSA-N 1 0 312.373 2.531 20 5 DFBDRO C[N@@H+]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1(C)C ZINC000601186057 399250464 /nfs/dbraw/zinc/25/04/64/399250464.db2.gz DNBFNJWLHMZRMK-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421014605 296225526 /nfs/dbraw/zinc/22/55/26/296225526.db2.gz KQMJNNNXGWDNMG-AWEZNQCLSA-N 1 0 322.405 2.978 20 5 DFBDRO COC(=O)/C=C/c1ccc(NCC(C)(C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000029070102 182551538 /nfs/dbraw/zinc/55/15/38/182551538.db2.gz QAKBCJLNQVMIJA-VQHVLOKHSA-N 1 0 321.377 2.533 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601216691 399256628 /nfs/dbraw/zinc/25/66/28/399256628.db2.gz VFNHBOLAPMIRAZ-UHFFFAOYSA-N 1 0 322.384 2.974 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000601291250 399271028 /nfs/dbraw/zinc/27/10/28/399271028.db2.gz INHBCMIXCZFJET-WMHQRMGPSA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000601335372 399278962 /nfs/dbraw/zinc/27/89/62/399278962.db2.gz STVJGHQTIHECAM-SMDDNHRTSA-N 1 0 309.797 2.822 20 5 DFBDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000601411271 399287450 /nfs/dbraw/zinc/28/74/50/399287450.db2.gz QQPGFPFGAKVZQM-FPMFFAJLSA-N 1 0 305.378 2.502 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000421525201 296262974 /nfs/dbraw/zinc/26/29/74/296262974.db2.gz FKWZIXQCDJPJIZ-ZIAGYGMSSA-N 1 0 317.389 2.568 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000608794262 399296237 /nfs/dbraw/zinc/29/62/37/399296237.db2.gz WYXPEVPXVSYTEF-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](n3ccnc3)C2)c1 ZINC000609257665 399310525 /nfs/dbraw/zinc/31/05/25/399310525.db2.gz BWVHLYNGFQRBGO-HNNXBMFYSA-N 1 0 316.361 2.507 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000043146184 183341258 /nfs/dbraw/zinc/34/12/58/183341258.db2.gz XYRGXMFEDXFOCX-STQMWFEESA-N 1 0 320.393 2.837 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000043149767 183341447 /nfs/dbraw/zinc/34/14/47/183341447.db2.gz SVAIOZGHFHKMNR-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1N[C@@H]1CCC[NH2+]C1 ZINC000043326915 183355485 /nfs/dbraw/zinc/35/54/85/183355485.db2.gz PDGYCYWEPNIUTC-SECBINFHSA-N 1 0 300.156 2.521 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+][C@@H]3CCOC3)o2)c([N+](=O)[O-])c1 ZINC000344844370 284693431 /nfs/dbraw/zinc/69/34/31/284693431.db2.gz IOAURMBZKRLBII-LLVKDONJSA-N 1 0 318.329 2.742 20 5 DFBDRO Cc1c(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000609842739 399333028 /nfs/dbraw/zinc/33/30/28/399333028.db2.gz HQPNIPPYNNOSJF-LBPRGKRZSA-N 1 0 320.393 2.755 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)[C@@]12CCCO2 ZINC000274131199 211383662 /nfs/dbraw/zinc/38/36/62/211383662.db2.gz BXEBFCYVCKLPCC-ZFVVBOAOSA-N 1 0 320.389 2.972 20 5 DFBDRO CC(C)[C@@H](CCO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000274126843 211380638 /nfs/dbraw/zinc/38/06/38/211380638.db2.gz XWHNMHKEVZBPJW-OAHLLOKOSA-N 1 0 319.361 2.746 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000421903916 296280309 /nfs/dbraw/zinc/28/03/09/296280309.db2.gz FTXCYUXJQWVUOK-ZDUSSCGKSA-N 1 0 307.394 2.670 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421903375 296279992 /nfs/dbraw/zinc/27/99/92/296279992.db2.gz WUSHWRWAKNJCCO-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104575007 194016150 /nfs/dbraw/zinc/01/61/50/194016150.db2.gz ZTSGDUPVIAEQHK-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000619430979 399344405 /nfs/dbraw/zinc/34/44/05/399344405.db2.gz ZSBFCRQIRIEBAN-CMPLNLGQSA-N 1 0 304.350 2.518 20 5 DFBDRO COC[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000284573954 218084974 /nfs/dbraw/zinc/08/49/74/218084974.db2.gz OPYIJOGZZWFKBD-WFASDCNBSA-N 1 0 308.378 2.782 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000104956746 194057484 /nfs/dbraw/zinc/05/74/84/194057484.db2.gz LMDSNQXZXOQFCY-AWEZNQCLSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1 ZINC000610239996 399349847 /nfs/dbraw/zinc/34/98/47/399349847.db2.gz UAEIRMJPZUUASW-HOTGVXAUSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000619516276 399356927 /nfs/dbraw/zinc/35/69/27/399356927.db2.gz VUOGGOFHUAYCMK-LLVKDONJSA-N 1 0 319.361 2.719 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000619531378 399358565 /nfs/dbraw/zinc/35/85/65/399358565.db2.gz ZDPRWMBBTAPQCC-OAHLLOKOSA-N 1 0 316.361 2.637 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCOC2)CC1 ZINC000619531800 399358660 /nfs/dbraw/zinc/35/86/60/399358660.db2.gz RJMRIZDAJFASFZ-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000105443230 194104315 /nfs/dbraw/zinc/10/43/15/194104315.db2.gz XNMSPOJERYUKCP-GFCCVEGCSA-N 1 0 302.378 2.834 20 5 DFBDRO O=C(NCC12CCC[NH+]1CCC2)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000619573949 399364160 /nfs/dbraw/zinc/36/41/60/399364160.db2.gz FWLVRSZKTWMMQN-UHFFFAOYSA-N 1 0 323.780 2.606 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610422080 399366486 /nfs/dbraw/zinc/36/64/86/399366486.db2.gz UTOSCBGSGGUXAP-SUYBPPKGSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCCC1 ZINC000610420551 399366692 /nfs/dbraw/zinc/36/66/92/399366692.db2.gz PPKFUOYWJPMPFN-CJNGLKHVSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)[C@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284902695 218228010 /nfs/dbraw/zinc/22/80/10/218228010.db2.gz CHXQVRXVTTWUGQ-DETPVDSQSA-N 1 0 307.394 2.889 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](CC)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000610437352 399367690 /nfs/dbraw/zinc/36/76/90/399367690.db2.gz PPIRWQJUEUSTMV-OAHLLOKOSA-N 1 0 319.405 2.761 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000610437010 399367916 /nfs/dbraw/zinc/36/79/16/399367916.db2.gz BWNDCKKISAOUOL-GFCCVEGCSA-N 1 0 319.405 2.617 20 5 DFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619658375 399373076 /nfs/dbraw/zinc/37/30/76/399373076.db2.gz JXGRITNGKJFZAH-AAEUAGOBSA-N 1 0 305.334 2.783 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@H]1CCOC1 ZINC000615724138 399377595 /nfs/dbraw/zinc/37/75/95/399377595.db2.gz NDGLQHHPYGIYKK-MBSJSRAVSA-N 1 0 320.389 2.641 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000610585496 399383829 /nfs/dbraw/zinc/38/38/29/399383829.db2.gz QZLDBBPTEDAAKG-WFASDCNBSA-N 1 0 303.362 2.716 20 5 DFBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285202030 218330882 /nfs/dbraw/zinc/33/08/82/218330882.db2.gz FKYIYKWEAOTJOU-KBPBESRZSA-N 1 0 300.305 2.920 20 5 DFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285202037 218331532 /nfs/dbraw/zinc/33/15/32/218331532.db2.gz FKYIYKWEAOTJOU-UONOGXRCSA-N 1 0 300.305 2.920 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791387 194252813 /nfs/dbraw/zinc/25/28/13/194252813.db2.gz BHFQDDSRSWDJII-LLVKDONJSA-N 1 0 323.418 2.711 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000610636289 399387970 /nfs/dbraw/zinc/38/79/70/399387970.db2.gz JWMCQOQEHAWCIM-TZMCWYRMSA-N 1 0 305.378 2.565 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602056099 399390445 /nfs/dbraw/zinc/39/04/45/399390445.db2.gz MSSNPKCSLVJJSI-MRXNPFEDSA-N 1 0 317.389 2.570 20 5 DFBDRO CCC[NH+]1CCC(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000109786128 194284466 /nfs/dbraw/zinc/28/44/66/194284466.db2.gz MUCNAMAXUQPDDQ-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602082792 399393131 /nfs/dbraw/zinc/39/31/31/399393131.db2.gz HKTAAVKNEZOGNQ-INIZCTEOSA-N 1 0 319.405 2.816 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422566080 296313471 /nfs/dbraw/zinc/31/34/71/296313471.db2.gz PNBJFXSQHFXSPT-UHFFFAOYSA-N 1 0 318.377 2.517 20 5 DFBDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000268859629 207027148 /nfs/dbraw/zinc/02/71/48/207027148.db2.gz VIJQXVUAXRJAKY-LLVKDONJSA-N 1 0 304.350 2.671 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135283 399400356 /nfs/dbraw/zinc/40/03/56/399400356.db2.gz ZGKWWEABSDBKMR-LRDDRELGSA-N 1 0 317.389 2.789 20 5 DFBDRO CC(C)[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccnn1C ZINC000615943508 399403631 /nfs/dbraw/zinc/40/36/31/399403631.db2.gz RCLYBXYCXXPJEY-AWEZNQCLSA-N 1 0 302.378 2.858 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1cccc([N+](=O)[O-])c1 ZINC000268946947 207112351 /nfs/dbraw/zinc/11/23/51/207112351.db2.gz UJHTVMPFXLEQNI-NVXWUHKLSA-N 1 0 321.421 2.746 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(O)CCCC1)C1CC1 ZINC000610817158 399409415 /nfs/dbraw/zinc/40/94/15/399409415.db2.gz HNIRONFMBRSWNK-HNNXBMFYSA-N 1 0 304.390 2.811 20 5 DFBDRO C[C@H]([NH2+]CCN(C)CC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000268955179 207119990 /nfs/dbraw/zinc/11/99/90/207119990.db2.gz WCXZRIAZHMLPIR-JTQLQIEISA-N 1 0 305.300 2.740 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)C1 ZINC000422717357 296320873 /nfs/dbraw/zinc/32/08/73/296320873.db2.gz KRAYDJKEVCJCTR-AWEZNQCLSA-N 1 0 319.405 2.592 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000602233918 399413337 /nfs/dbraw/zinc/41/33/37/399413337.db2.gz MELNOTWPYXZPEI-UHFFFAOYSA-N 1 0 305.378 2.678 20 5 DFBDRO C[C@@H]1[C@H](C)N(c2nc3ccccc3cc2[N+](=O)[O-])CC[N@H+]1C ZINC000616061955 399417413 /nfs/dbraw/zinc/41/74/13/399417413.db2.gz HXQUQEFGMTXLKB-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000602250347 399414882 /nfs/dbraw/zinc/41/48/82/399414882.db2.gz PPRZNXDCEDZCQZ-UHFFFAOYSA-N 1 0 309.341 2.793 20 5 DFBDRO COc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])cn1 ZINC000610999204 399427000 /nfs/dbraw/zinc/42/70/00/399427000.db2.gz MIUVOSFOAHYLLL-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCO)Cc2ccccc2)cc1 ZINC000269012150 207164468 /nfs/dbraw/zinc/16/44/68/207164468.db2.gz VSPNZOHAMYGOIV-UHFFFAOYSA-N 1 0 300.358 2.979 20 5 DFBDRO Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000059384712 184138044 /nfs/dbraw/zinc/13/80/44/184138044.db2.gz ZYWXYGOTOHXCLG-ZIAGYGMSSA-N 1 0 307.394 2.814 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000276372910 284895964 /nfs/dbraw/zinc/89/59/64/284895964.db2.gz CCHSVVCLZCMOTK-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000269063712 207214345 /nfs/dbraw/zinc/21/43/45/207214345.db2.gz UUOWVVMKXQYKLA-YOEHRIQHSA-N 1 0 320.389 2.730 20 5 DFBDRO CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611260611 399453592 /nfs/dbraw/zinc/45/35/92/399453592.db2.gz VJYAPUHGCBVIFV-GFCCVEGCSA-N 1 0 306.362 2.988 20 5 DFBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254670 399451899 /nfs/dbraw/zinc/45/18/99/399451899.db2.gz QDQJZJWARVXVDW-ZDUSSCGKSA-N 1 0 306.362 2.986 20 5 DFBDRO CCC[N@H+](CCc1cccc(F)c1)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602470542 399453056 /nfs/dbraw/zinc/45/30/56/399453056.db2.gz HPAULZYSIMXGKL-UHFFFAOYSA-N 1 0 320.368 2.922 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471277 399453470 /nfs/dbraw/zinc/45/34/70/399453470.db2.gz AZGZSEZXZIAWPR-TZMCWYRMSA-N 1 0 300.362 2.706 20 5 DFBDRO CO[C@]1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CCOC1 ZINC000602440684 399445416 /nfs/dbraw/zinc/44/54/16/399445416.db2.gz RNMDCRJWKOFHCU-INIZCTEOSA-N 1 0 308.378 2.611 20 5 DFBDRO Cc1cc(N2CCC[N@H+](C[C@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000611296524 399459390 /nfs/dbraw/zinc/45/93/90/399459390.db2.gz NCWGJZYFYNLHLH-MRXNPFEDSA-N 1 0 319.405 2.594 20 5 DFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000611298971 399459544 /nfs/dbraw/zinc/45/95/44/399459544.db2.gz DGSYRXSGJGXBAA-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2COc3ccccc3O2)cc1 ZINC000602502738 399461701 /nfs/dbraw/zinc/46/17/01/399461701.db2.gz NAUYHEYQNMYNOQ-OAHLLOKOSA-N 1 0 314.341 2.567 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN2CCC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000062940749 184261392 /nfs/dbraw/zinc/26/13/92/184261392.db2.gz MTOAKIFTXGPPBA-CQSZACIVSA-N 1 0 309.797 2.918 20 5 DFBDRO CC(C)CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602511062 399464405 /nfs/dbraw/zinc/46/44/05/399464405.db2.gz LPSDLZAQCCLYRR-UHFFFAOYSA-N 1 0 306.410 2.984 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H](CC2CC2)c2ccccc2)n1 ZINC000611395520 399470323 /nfs/dbraw/zinc/47/03/23/399470323.db2.gz GIBLNIVHJBEUNP-OAHLLOKOSA-N 1 0 300.362 2.922 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+][C@H]2CCCOC2)cc1Br ZINC000602539256 399470842 /nfs/dbraw/zinc/47/08/42/399470842.db2.gz HYVBLCUMTQLGIH-ZETCQYMHSA-N 1 0 321.196 2.687 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000422745875 296325280 /nfs/dbraw/zinc/32/52/80/296325280.db2.gz VWJGMABVXGHQHR-UHFFFAOYSA-N 1 0 305.378 2.542 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422754669 296327267 /nfs/dbraw/zinc/32/72/67/296327267.db2.gz JTICXQNFKDTDEP-OCCSQVGLSA-N 1 0 319.405 2.836 20 5 DFBDRO CCC[C@H]1C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564049 399477422 /nfs/dbraw/zinc/47/74/22/399477422.db2.gz CXWPCKLHOBNLGB-WFASDCNBSA-N 1 0 304.394 2.737 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000422753965 296326988 /nfs/dbraw/zinc/32/69/88/296326988.db2.gz JBWKHUCSDAOGNA-KGLIPLIRSA-N 1 0 319.405 2.638 20 5 DFBDRO C[C@H](Cc1ccncc1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602564217 399477655 /nfs/dbraw/zinc/47/76/55/399477655.db2.gz QZPGASCIVNTURF-LLVKDONJSA-N 1 0 312.329 2.852 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000602577792 399480801 /nfs/dbraw/zinc/48/08/01/399480801.db2.gz BHKRBGDUNWEYGK-GFCCVEGCSA-N 1 0 311.769 2.592 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(CO)CCCCC2)cc1 ZINC000611463068 399478939 /nfs/dbraw/zinc/47/89/39/399478939.db2.gz SHKIGOGEUUVYDZ-UHFFFAOYSA-N 1 0 308.378 2.649 20 5 DFBDRO C[C@@H](CCCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573704 399479592 /nfs/dbraw/zinc/47/95/92/399479592.db2.gz LFOFYVVIJYGQBS-VIFPVBQESA-N 1 0 306.284 2.864 20 5 DFBDRO CCN1C[C@H](C)[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611475788 399480058 /nfs/dbraw/zinc/48/00/58/399480058.db2.gz HOHQFGWVCPEOKK-SQWLQELKSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501336 399482628 /nfs/dbraw/zinc/48/26/28/399482628.db2.gz ARWAXONDGDDPHH-RISCZKNCSA-N 1 0 309.341 2.603 20 5 DFBDRO CC(C)(C(=O)N1CCCCC[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000602577303 399481088 /nfs/dbraw/zinc/48/10/88/399481088.db2.gz GTXDEYCJTNKCDV-AWEZNQCLSA-N 1 0 319.405 2.602 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCCO1 ZINC000602584770 399483282 /nfs/dbraw/zinc/48/32/82/399483282.db2.gz ANHXMZPGCLGEAM-GXFFZTMASA-N 1 0 305.334 2.783 20 5 DFBDRO COc1cc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000611515639 399485937 /nfs/dbraw/zinc/48/59/37/399485937.db2.gz DKAQEWITVJUQSO-CABCVRRESA-N 1 0 319.405 2.662 20 5 DFBDRO [NH3+][C@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000602605294 399487827 /nfs/dbraw/zinc/48/78/27/399487827.db2.gz YFWDCSFBSLXOSF-XYPYZODXSA-N 1 0 319.386 2.809 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1[N+](=O)[O-] ZINC000602605311 399488089 /nfs/dbraw/zinc/48/80/89/399488089.db2.gz ZPCWGVLRVVLSRL-JOCQHMNTSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000602623806 399494355 /nfs/dbraw/zinc/49/43/55/399494355.db2.gz QWZYBJQLVFDGDN-RNCFNFMXSA-N 1 0 318.295 2.816 20 5 DFBDRO Cc1c(C[NH2+]Cc2cccn(C(F)F)c2=O)cccc1[N+](=O)[O-] ZINC000602631992 399496907 /nfs/dbraw/zinc/49/69/07/399496907.db2.gz HRSZVPVNOAWZGJ-UHFFFAOYSA-N 1 0 323.299 2.750 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c(C)c1 ZINC000602646504 399501121 /nfs/dbraw/zinc/50/11/21/399501121.db2.gz ADODAJUIQBXZBT-CQSZACIVSA-N 1 0 314.389 2.935 20 5 DFBDRO C[C@@H]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1 ZINC000602639199 399499217 /nfs/dbraw/zinc/49/92/17/399499217.db2.gz WOMYKZPAANBXFR-ZIAGYGMSSA-N 1 0 318.421 2.984 20 5 DFBDRO CCC[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCOC1 ZINC000602662141 399507684 /nfs/dbraw/zinc/50/76/84/399507684.db2.gz MUHRLHJZCHXESU-HNNXBMFYSA-N 1 0 305.334 2.785 20 5 DFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422827973 296340403 /nfs/dbraw/zinc/34/04/03/296340403.db2.gz FNMOYAFQDCLNSF-CYBMUJFWSA-N 1 0 307.394 2.821 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000611708971 399508352 /nfs/dbraw/zinc/50/83/52/399508352.db2.gz OUCRJXXCADOLMW-NHYWBVRUSA-N 1 0 315.377 2.679 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602671203 399513748 /nfs/dbraw/zinc/51/37/48/399513748.db2.gz SGBKHCXFQCFUQM-NSHDSACASA-N 1 0 306.366 2.554 20 5 DFBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000119673453 195015127 /nfs/dbraw/zinc/01/51/27/195015127.db2.gz WFSQPSPXXKNGKO-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CO[C@](C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602673647 399514621 /nfs/dbraw/zinc/51/46/21/399514621.db2.gz AHIHADYZQZFGCE-OAHLLOKOSA-N 1 0 305.334 2.641 20 5 DFBDRO CC[C@@H]1C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602673387 399514792 /nfs/dbraw/zinc/51/47/92/399514792.db2.gz AWOTXQOAJAKSPF-OLZOCXBDSA-N 1 0 304.394 2.594 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000120007059 195079116 /nfs/dbraw/zinc/07/91/16/195079116.db2.gz YOCBWGYXBJMKAI-OAHLLOKOSA-N 1 0 314.389 2.883 20 5 DFBDRO COc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935855 296357515 /nfs/dbraw/zinc/35/75/15/296357515.db2.gz ASPRUZVHJVYPOH-GJZGRUSLSA-N 1 0 313.357 2.838 20 5 DFBDRO C[C@@H](Cc1cccc(F)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602686805 399520547 /nfs/dbraw/zinc/52/05/47/399520547.db2.gz FCAPYWOOERCTHH-NSHDSACASA-N 1 0 306.341 2.530 20 5 DFBDRO CC(C)n1cc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000602692852 399522921 /nfs/dbraw/zinc/52/29/21/399522921.db2.gz CSESOBRZUXZDQI-UHFFFAOYSA-N 1 0 317.393 2.835 20 5 DFBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000120133215 195102917 /nfs/dbraw/zinc/10/29/17/195102917.db2.gz NCXNJBBUUSTEKU-WMLDXEAASA-N 1 0 321.421 2.602 20 5 DFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602695591 399524410 /nfs/dbraw/zinc/52/44/10/399524410.db2.gz AXLBXPFHRXYNJI-JQWIXIFHSA-N 1 0 305.334 2.783 20 5 DFBDRO CC[N@@H+]1CC[C@@H](NCc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602696046 399524693 /nfs/dbraw/zinc/52/46/93/399524693.db2.gz ZTMWMJHLFVIRSJ-GFCCVEGCSA-N 1 0 317.311 2.797 20 5 DFBDRO Cc1nc(C[NH3+])ccc1[C@H](C)NCc1ccccc1[N+](=O)[O-] ZINC000422951702 296360075 /nfs/dbraw/zinc/36/00/75/296360075.db2.gz ZVLFOENMUKZHSQ-NSHDSACASA-N 1 0 300.362 2.608 20 5 DFBDRO C[C@@H](O)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000602697312 399525551 /nfs/dbraw/zinc/52/55/51/399525551.db2.gz FSLMMAORRVEJRG-SJKOYZFVSA-N 1 0 318.348 2.988 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]2Cn2cncn2)c(Cl)c1 ZINC000611782831 399525579 /nfs/dbraw/zinc/52/55/79/399525579.db2.gz KYRJEHSZVONTIZ-ZDUSSCGKSA-N 1 0 321.768 2.504 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CO1 ZINC000602702198 399528761 /nfs/dbraw/zinc/52/87/61/399528761.db2.gz JBKADBICHHGSQL-RQJHMYQMSA-N 1 0 321.196 2.686 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170710243 285080422 /nfs/dbraw/zinc/08/04/22/285080422.db2.gz VRJFCAGXKGMSPZ-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000271987999 209362634 /nfs/dbraw/zinc/36/26/34/209362634.db2.gz DFXGLBNBAWLAMK-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000262503216 285085846 /nfs/dbraw/zinc/08/58/46/285085846.db2.gz MFEALNKVBOTABA-ZJUUUORDSA-N 1 0 315.295 2.659 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000318594178 533038716 /nfs/dbraw/zinc/03/87/16/533038716.db2.gz IURFIGVCUTWASP-MNOVXSKESA-N 1 0 309.341 2.781 20 5 DFBDRO CC[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CC1 ZINC000602716883 399536354 /nfs/dbraw/zinc/53/63/54/399536354.db2.gz KXNQDRMCZXSRCM-HNNXBMFYSA-N 1 0 304.394 2.737 20 5 DFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000288661960 220331230 /nfs/dbraw/zinc/33/12/30/220331230.db2.gz BSZNUZFFAIDUGP-QGZVFWFLSA-N 1 0 322.405 2.978 20 5 DFBDRO COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641297 197290285 /nfs/dbraw/zinc/29/02/85/197290285.db2.gz ONRBCXOJFWUGSJ-GJZGRUSLSA-N 1 0 319.405 2.520 20 5 DFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccc(OC)cc1 ZINC000602765939 399562022 /nfs/dbraw/zinc/56/20/22/399562022.db2.gz NBCCSUCRZBCHNQ-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO Cc1cnc(N(CC[NH+](C)C)Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000347700176 285136646 /nfs/dbraw/zinc/13/66/46/285136646.db2.gz BETFZIGCQVAWGX-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO Nc1ccc(NCC[N@@H+]2CCc3sccc3C2)c([N+](=O)[O-])c1 ZINC000286531453 219038164 /nfs/dbraw/zinc/03/81/64/219038164.db2.gz YGCGGQJSLONLKZ-UHFFFAOYSA-N 1 0 318.402 2.709 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CCC2 ZINC000365735535 285145214 /nfs/dbraw/zinc/14/52/14/285145214.db2.gz LMGCRYOAOHMAPL-CZUORRHYSA-N 1 0 312.373 2.842 20 5 DFBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000602779798 399569095 /nfs/dbraw/zinc/56/90/95/399569095.db2.gz RJGGDZWCCSAIMI-GFCCVEGCSA-N 1 0 318.377 2.888 20 5 DFBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000347742158 285155658 /nfs/dbraw/zinc/15/56/58/285155658.db2.gz RXOCYBXAOJBVJQ-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000602779863 399569945 /nfs/dbraw/zinc/56/99/45/399569945.db2.gz SYDCGCJJFZBLCN-BLLLJJGKSA-N 1 0 300.362 2.793 20 5 DFBDRO CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000120304414 195138724 /nfs/dbraw/zinc/13/87/24/195138724.db2.gz VWSPJVJPFFQAAQ-AWEZNQCLSA-N 1 0 317.345 2.659 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C1(c2nccs2)CCCC1 ZINC000602794441 399577048 /nfs/dbraw/zinc/57/70/48/399577048.db2.gz XAXIRCFAZOAENU-UHFFFAOYSA-N 1 0 321.406 2.615 20 5 DFBDRO CCOc1ccc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000423211223 296392885 /nfs/dbraw/zinc/39/28/85/296392885.db2.gz ILDPGJDSGMDLSY-SQPSOYEMSA-N 1 0 319.405 2.927 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000602803221 399580834 /nfs/dbraw/zinc/58/08/34/399580834.db2.gz AAKQTINDOXXZLX-INIZCTEOSA-N 1 0 300.362 2.841 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000602808799 399583555 /nfs/dbraw/zinc/58/35/55/399583555.db2.gz ZNVSWVYFDSZZDU-SECBINFHSA-N 1 0 310.304 2.729 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000602822162 399588740 /nfs/dbraw/zinc/58/87/40/399588740.db2.gz ZHYCPIADTZNAIV-UHFFFAOYSA-N 1 0 314.389 2.775 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])NC[C@H]1CCC[NH2+]1 ZINC000423232864 296395292 /nfs/dbraw/zinc/39/52/92/296395292.db2.gz IWQJOVULYSMCAN-CHWSQXEVSA-N 1 0 309.435 2.807 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CC1 ZINC000423274432 296399549 /nfs/dbraw/zinc/39/95/49/296399549.db2.gz KLXKYQXMKLSDHK-OLZOCXBDSA-N 1 0 309.435 2.792 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156541443 197122078 /nfs/dbraw/zinc/12/20/78/197122078.db2.gz BRXDSKKKBLSQNE-YPMHNXCESA-N 1 0 307.394 2.859 20 5 DFBDRO CCn1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)cn1 ZINC000271549569 209003650 /nfs/dbraw/zinc/00/36/50/209003650.db2.gz VOAPCGBBUGRWAI-INIZCTEOSA-N 1 0 314.389 2.922 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000155035949 197016081 /nfs/dbraw/zinc/01/60/81/197016081.db2.gz QKQRYPSGHVYWBA-UPJWGTAASA-N 1 0 305.378 2.948 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423397081 296412291 /nfs/dbraw/zinc/41/22/91/296412291.db2.gz ULGNZPVOWKIOSG-OUCADQQQSA-N 1 0 307.394 2.785 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153135086 196854714 /nfs/dbraw/zinc/85/47/14/196854714.db2.gz AGYKXIXKCNLWJW-ZIAGYGMSSA-N 1 0 317.389 2.964 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423620337 296434409 /nfs/dbraw/zinc/43/44/09/296434409.db2.gz WNLNSGUUSANKBR-CQSZACIVSA-N 1 0 319.405 2.721 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000423619170 296434453 /nfs/dbraw/zinc/43/44/53/296434453.db2.gz HZEAKEHTYOWGTK-MNOVXSKESA-N 1 0 323.418 2.577 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H](CO)C2CCCC2)c(F)c1 ZINC000289593157 221090523 /nfs/dbraw/zinc/09/05/23/221090523.db2.gz RBQAMDGIPCGMBB-CQSZACIVSA-N 1 0 300.305 2.514 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)s1 ZINC000289743043 221195609 /nfs/dbraw/zinc/19/56/09/221195609.db2.gz KRWHIPMNELUZEV-JTQLQIEISA-N 1 0 306.391 2.956 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423671124 296437755 /nfs/dbraw/zinc/43/77/55/296437755.db2.gz VVVIJKVUQAALPP-OCCSQVGLSA-N 1 0 319.405 2.918 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000602931567 399631300 /nfs/dbraw/zinc/63/13/00/399631300.db2.gz OGKKYYYVNOPDRR-OZVIIMIRSA-N 1 0 306.362 2.787 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)cc1 ZINC000289871152 221281239 /nfs/dbraw/zinc/28/12/39/221281239.db2.gz PBEIDKRUQHTUAH-QZTJIDSGSA-N 1 0 312.369 2.851 20 5 DFBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1[C@@H]1CCCO1 ZINC000289889666 221296571 /nfs/dbraw/zinc/29/65/71/221296571.db2.gz SIAJGDNXCJJCFB-HRCADAONSA-N 1 0 320.389 2.518 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000294944917 224329415 /nfs/dbraw/zinc/32/94/15/224329415.db2.gz LOEMECFROKYRNG-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)CCC[NH3+] ZINC000423696280 296439687 /nfs/dbraw/zinc/43/96/87/296439687.db2.gz WUPXMZXPYKUUGD-JTQLQIEISA-N 1 0 311.407 2.564 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000290092901 221414488 /nfs/dbraw/zinc/41/44/88/221414488.db2.gz WZYSJEKGDUCCLV-HOTGVXAUSA-N 1 0 319.405 2.720 20 5 DFBDRO CCc1ccc(CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)nc1 ZINC000602963532 399641777 /nfs/dbraw/zinc/64/17/77/399641777.db2.gz XNUOLTUSYYNROB-KRWDZBQOSA-N 1 0 315.373 2.550 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997653 399654500 /nfs/dbraw/zinc/65/45/00/399654500.db2.gz OLGHYFQIDOPGHX-JYJNAYRXSA-N 1 0 320.389 2.729 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997826 399654693 /nfs/dbraw/zinc/65/46/93/399654693.db2.gz RUCXVDUJTFWTCV-DZKIICNBSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602998172 399656175 /nfs/dbraw/zinc/65/61/75/399656175.db2.gz YMAUOLZLVOCRRT-PJODQICGSA-N 1 0 308.353 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000603029134 399660787 /nfs/dbraw/zinc/66/07/87/399660787.db2.gz WJBLRGFHTYMJLF-OAHLLOKOSA-N 1 0 316.361 2.685 20 5 DFBDRO CN(C)C(=O)C1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000294950046 224334001 /nfs/dbraw/zinc/33/40/01/224334001.db2.gz HMWFTFDEIVDSPB-UHFFFAOYSA-N 1 0 311.407 2.537 20 5 DFBDRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602967945 399642924 /nfs/dbraw/zinc/64/29/24/399642924.db2.gz VBWLZPKHSPUADZ-BBBLOLIVSA-N 1 0 320.315 2.880 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cc1[N+](=O)[O-] ZINC000423749074 296443353 /nfs/dbraw/zinc/44/33/53/296443353.db2.gz SBIFZDASBSCQJT-OAHLLOKOSA-N 1 0 319.405 2.836 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000612790172 399724756 /nfs/dbraw/zinc/72/47/56/399724756.db2.gz ADMHZKISUMIGRV-JOYOIKCWSA-N 1 0 315.320 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000603250609 399723130 /nfs/dbraw/zinc/72/31/30/399723130.db2.gz KLUBPXPAOALQBD-OLZOCXBDSA-N 1 0 315.377 2.571 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+][C@H](C)CCO)o2)c([N+](=O)[O-])c1 ZINC000121045331 195286932 /nfs/dbraw/zinc/28/69/32/195286932.db2.gz IQVIMOSQHUPVCM-LLVKDONJSA-N 1 0 320.345 2.724 20 5 DFBDRO Cc1cc(C(=O)NCCC[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000121898216 195370960 /nfs/dbraw/zinc/37/09/60/195370960.db2.gz ZXJLHZHGROUBOM-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CSc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000122083949 195398963 /nfs/dbraw/zinc/39/89/63/195398963.db2.gz BSYIBZGNLXEVLT-ZYHUDNBSSA-N 1 0 323.418 2.659 20 5 DFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000271627857 209072870 /nfs/dbraw/zinc/07/28/70/209072870.db2.gz YMSPYBJNZXLZQY-NEPJUHHUSA-N 1 0 321.377 2.805 20 5 DFBDRO CS[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000128056268 195932242 /nfs/dbraw/zinc/93/22/42/195932242.db2.gz RGFDCSGWZUJKBD-LLVKDONJSA-N 1 0 320.418 2.836 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1O ZINC000284088670 131047627 /nfs/dbraw/zinc/04/76/27/131047627.db2.gz MEMJYXKLPJAYLB-JTQLQIEISA-N 1 0 317.345 2.742 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(OCC3CC3)CC2)c1 ZINC000366659782 131347972 /nfs/dbraw/zinc/34/79/72/131347972.db2.gz YBSYFIRMFBEDGY-KRWDZBQOSA-N 1 0 320.389 2.519 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000424068948 296482365 /nfs/dbraw/zinc/48/23/65/296482365.db2.gz IFIOBOAFFAJHFI-ZOWXZIJZSA-N 1 0 319.405 2.603 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424073140 296482803 /nfs/dbraw/zinc/48/28/03/296482803.db2.gz MDIXLCVORGEQLN-GDLCADMTSA-N 1 0 319.405 2.657 20 5 DFBDRO CCCC(=O)NC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000603682316 399797449 /nfs/dbraw/zinc/79/74/49/399797449.db2.gz FFEPGHBJBBFXJW-UHFFFAOYSA-N 1 0 319.405 2.784 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000424148234 296488066 /nfs/dbraw/zinc/48/80/66/296488066.db2.gz ZOYVDLDJLYIEEP-FZMZJTMJSA-N 1 0 305.378 2.645 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1cccc(F)c1 ZINC000603839146 399807806 /nfs/dbraw/zinc/80/78/06/399807806.db2.gz XLLBLIFRTOXYJW-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000198356557 542866599 /nfs/dbraw/zinc/86/65/99/542866599.db2.gz GVAHJHJQHCDXPA-BQYQJAHWSA-N 1 0 317.389 2.597 20 5 DFBDRO Cc1cccc(C(=O)N2CCC(CC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000128498688 195969284 /nfs/dbraw/zinc/96/92/84/195969284.db2.gz QBHROQGWGMGCML-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248591052 542936653 /nfs/dbraw/zinc/93/66/53/542936653.db2.gz ZMVWHRXZPGZYSK-SUNKGSAMSA-N 1 0 305.378 2.608 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]1C ZINC000248834231 542938777 /nfs/dbraw/zinc/93/87/77/542938777.db2.gz GFTSXGXMUBQXQB-UHIISALHSA-N 1 0 305.378 2.608 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000604303564 399835835 /nfs/dbraw/zinc/83/58/35/399835835.db2.gz DYHDUFWTNAIUAA-MCIONIFRSA-N 1 0 304.394 2.831 20 5 DFBDRO C[C@@H](CNc1ncccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000301292390 543045398 /nfs/dbraw/zinc/04/53/98/543045398.db2.gz XBYARAIUAPLJEH-ZDUSSCGKSA-N 1 0 300.362 2.922 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000604539148 399854172 /nfs/dbraw/zinc/85/41/72/399854172.db2.gz OYCJZPGGNWQJHK-CYBMUJFWSA-N 1 0 306.366 2.589 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553983 399855301 /nfs/dbraw/zinc/85/53/01/399855301.db2.gz IMLPXVWXPVPXMQ-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000072861511 145190079 /nfs/dbraw/zinc/19/00/79/145190079.db2.gz MQEABHRCQAMCOZ-AWEZNQCLSA-N 1 0 323.418 2.751 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000153728022 145215179 /nfs/dbraw/zinc/21/51/79/145215179.db2.gz UFPOYEOFFZYZST-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172956811 145326005 /nfs/dbraw/zinc/32/60/05/145326005.db2.gz FHNODJSEATUDFX-LEWSCRJBSA-N 1 0 303.362 2.510 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000173051754 145331691 /nfs/dbraw/zinc/33/16/91/145331691.db2.gz XYRIVHUKVMTBJE-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000492988105 299693309 /nfs/dbraw/zinc/69/33/09/299693309.db2.gz NWYBVZOEOGWPAM-HJWRWDBZSA-N 1 0 317.389 2.599 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000192501148 145923086 /nfs/dbraw/zinc/92/30/86/145923086.db2.gz FSHWHDWNOHJUCL-CHWSQXEVSA-N 1 0 323.441 2.900 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000227694466 146006836 /nfs/dbraw/zinc/00/68/36/146006836.db2.gz VCWYVGRVQLRZIY-JHJVBQTASA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245201074 146062877 /nfs/dbraw/zinc/06/28/77/146062877.db2.gz FHBRXXSIFHDCCZ-HZSPNIEDSA-N 1 0 319.405 2.515 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000245835677 146103823 /nfs/dbraw/zinc/10/38/23/146103823.db2.gz ANOPXALESQJDGC-CHWSQXEVSA-N 1 0 305.378 2.901 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245874661 146105837 /nfs/dbraw/zinc/10/58/37/146105837.db2.gz JXKFBZRZCBOYJL-NUEKZKHPSA-N 1 0 320.389 2.897 20 5 DFBDRO C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1C ZINC000245898752 146108353 /nfs/dbraw/zinc/10/83/53/146108353.db2.gz KVLCOVJMNNAQFX-IOASZLSFSA-N 1 0 317.389 2.678 20 5 DFBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1c1ccccc1 ZINC000246184594 146127368 /nfs/dbraw/zinc/12/73/68/146127368.db2.gz KUTBHMRENGGJPI-GOEBONIOSA-N 1 0 314.389 2.917 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000247078757 146160509 /nfs/dbraw/zinc/16/05/09/146160509.db2.gz WXJFCFSKFXGFEH-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1cnn(C)c1 ZINC000255838562 146235022 /nfs/dbraw/zinc/23/50/22/146235022.db2.gz ANXQVDKHUXOVAX-VURMDHGXSA-N 1 0 300.362 2.864 20 5 DFBDRO [NH3+]C1(c2noc(Cc3ccc([N+](=O)[O-])cc3Cl)n2)CCCC1 ZINC000261703582 146262692 /nfs/dbraw/zinc/26/26/92/146262692.db2.gz IFLNZSCFFHNCGS-UHFFFAOYSA-N 1 0 322.752 2.950 20 5 DFBDRO COc1ccc(CN2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000261742306 146269830 /nfs/dbraw/zinc/26/98/30/146269830.db2.gz OAPCRYXZXAAXDH-UHFFFAOYSA-N 1 0 313.357 2.713 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000261764705 146272555 /nfs/dbraw/zinc/27/25/55/146272555.db2.gz FKTBNSLEQQZXBT-KRWDZBQOSA-N 1 0 319.405 2.703 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261850191 146288817 /nfs/dbraw/zinc/28/88/17/146288817.db2.gz ZSKPJNFKVQJSCE-OAHLLOKOSA-N 1 0 318.377 2.591 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000262002242 146321527 /nfs/dbraw/zinc/32/15/27/146321527.db2.gz UEEIRHLIEQCAQY-UHFFFAOYSA-N 1 0 306.347 2.705 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000262045960 146327178 /nfs/dbraw/zinc/32/71/78/146327178.db2.gz CJFQRIZKXLQOOH-BZUAXINKSA-N 1 0 303.406 2.995 20 5 DFBDRO C[NH2+]CCC1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)CC1 ZINC000262426028 146358603 /nfs/dbraw/zinc/35/86/03/146358603.db2.gz FKKJZEMGCBZGBE-UHFFFAOYSA-N 1 0 311.357 2.568 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2[NH2+]CCc3ccccc32)c(Cl)c1 ZINC000262485769 146363905 /nfs/dbraw/zinc/36/39/05/146363905.db2.gz KIEOBMYTESJQCK-AWEZNQCLSA-N 1 0 318.764 2.942 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354411995 147026325 /nfs/dbraw/zinc/02/63/25/147026325.db2.gz WNYIAEOERSBUIF-SMDDNHRTSA-N 1 0 323.368 2.679 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000354416761 147028650 /nfs/dbraw/zinc/02/86/50/147028650.db2.gz VVFLFXVPCLIBQO-CQSZACIVSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508422 147062948 /nfs/dbraw/zinc/06/29/48/147062948.db2.gz NLCQFKJSHGVBGV-GXTWGEPZSA-N 1 0 313.361 2.632 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000350053248 285996134 /nfs/dbraw/zinc/99/61/34/285996134.db2.gz ZMTCGPJENYFULB-OAHLLOKOSA-N 1 0 320.389 2.721 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000357663780 148075009 /nfs/dbraw/zinc/07/50/09/148075009.db2.gz RNLFOCOHASYHLR-CQSZACIVSA-N 1 0 307.394 2.816 20 5 DFBDRO CO[C@@]1(C)C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000358087949 148239937 /nfs/dbraw/zinc/23/99/37/148239937.db2.gz QTFPCNGGDLCCHK-ZBFHGGJFSA-N 1 0 308.378 2.767 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358310490 148324955 /nfs/dbraw/zinc/32/49/55/148324955.db2.gz RAOVBUNRVLMRLU-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000358400289 148347159 /nfs/dbraw/zinc/34/71/59/148347159.db2.gz OMKZXLOXAZXUSC-ZDUSSCGKSA-N 1 0 305.378 2.822 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCCC1 ZINC000361014133 149009115 /nfs/dbraw/zinc/00/91/15/149009115.db2.gz MAIALWCMPJVONC-LBPRGKRZSA-N 1 0 309.414 2.796 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000361154779 149041815 /nfs/dbraw/zinc/04/18/15/149041815.db2.gz NPQYXYOGASLQCH-CYBMUJFWSA-N 1 0 319.405 2.640 20 5 DFBDRO Cc1c(CN2CCC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000361650794 149180132 /nfs/dbraw/zinc/18/01/32/149180132.db2.gz BWBUASQCDJLJJG-INIZCTEOSA-N 1 0 303.406 2.963 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000361730893 149204013 /nfs/dbraw/zinc/20/40/13/149204013.db2.gz DISLPSWUFSYCMJ-GOSISDBHSA-N 1 0 314.385 2.926 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000350824589 286092392 /nfs/dbraw/zinc/09/23/92/286092392.db2.gz CJIYKOBCEMXQCJ-UHFFFAOYSA-N 1 0 317.320 2.771 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000371546298 150063200 /nfs/dbraw/zinc/06/32/00/150063200.db2.gz ZICHPSAXRDKMCH-JPQUEUOBSA-N 1 0 301.390 2.634 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000372933564 150204020 /nfs/dbraw/zinc/20/40/20/150204020.db2.gz ZYULMRRHQHKTKK-HZPDHXFCSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351633058 286176252 /nfs/dbraw/zinc/17/62/52/286176252.db2.gz YEXAULSKWFFBBS-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351633057 286176332 /nfs/dbraw/zinc/17/63/32/286176332.db2.gz YEXAULSKWFFBBS-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@@H]1CCCO1 ZINC000351728896 286204508 /nfs/dbraw/zinc/20/45/08/286204508.db2.gz IVMFZSBSZKLGGZ-KGLIPLIRSA-N 1 0 300.305 2.920 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000377426557 150689467 /nfs/dbraw/zinc/68/94/67/150689467.db2.gz QABAJBUMLJOPSE-STQMWFEESA-N 1 0 318.377 2.652 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1[C@H]1CCCO1 ZINC000351958039 286255566 /nfs/dbraw/zinc/25/55/66/286255566.db2.gz LYXFVSPNHAXUIK-CVEARBPZSA-N 1 0 320.389 2.863 20 5 DFBDRO COc1cc(CN2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000351970859 286257534 /nfs/dbraw/zinc/25/75/34/286257534.db2.gz KSDIGEORXIXJOO-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO C[C@@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000352184072 286313764 /nfs/dbraw/zinc/31/37/64/286313764.db2.gz MIDLJKFWJLWCPF-AXFHLTTASA-N 1 0 309.341 2.934 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000352280483 286335371 /nfs/dbraw/zinc/33/53/71/286335371.db2.gz RPQBEDPNUCVKQP-CQSZACIVSA-N 1 0 307.394 2.720 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000352281144 286335426 /nfs/dbraw/zinc/33/54/26/286335426.db2.gz SUVMXMJNNBTXML-OAHLLOKOSA-N 1 0 319.405 2.818 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352360078 286353055 /nfs/dbraw/zinc/35/30/55/286353055.db2.gz LOKAEPJQRLXRHS-SWLSCSKDSA-N 1 0 314.389 2.919 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1[N+](=O)[O-] ZINC000352392655 286362153 /nfs/dbraw/zinc/36/21/53/286362153.db2.gz VLDCESUUIGUIIQ-CQSZACIVSA-N 1 0 316.361 2.555 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000352411208 286366801 /nfs/dbraw/zinc/36/68/01/286366801.db2.gz UZDRVPBBOKHZQB-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291387220 292295894 /nfs/dbraw/zinc/29/58/94/292295894.db2.gz BCTMFHCVVYHFRE-NWDGAFQWSA-N 1 0 314.332 2.914 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000353017710 286529637 /nfs/dbraw/zinc/52/96/37/286529637.db2.gz RVXAUCLYCDBFOO-WBMJQRKESA-N 1 0 319.405 2.740 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H](CO)C3CC3)o2)cc1 ZINC000353063752 286542460 /nfs/dbraw/zinc/54/24/60/286542460.db2.gz VPVCMWVFHSWPIT-CQSZACIVSA-N 1 0 316.357 2.963 20 5 DFBDRO O=C(C[NH2+][C@H]1CCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000353241764 286588666 /nfs/dbraw/zinc/58/86/66/286588666.db2.gz GJADCDZSUWMJKA-AWEZNQCLSA-N 1 0 303.362 2.846 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429777861 296758857 /nfs/dbraw/zinc/75/88/57/296758857.db2.gz XEGPTCZJRHCCHW-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000248545127 158182541 /nfs/dbraw/zinc/18/25/41/158182541.db2.gz DYRYDKNTHBXFCG-SMKXDYDZSA-N 1 0 322.405 2.749 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@@H+]1CCC[C@H](C)C1 ZINC000301564090 158220125 /nfs/dbraw/zinc/22/01/25/158220125.db2.gz YSZQXWLFCNTKPL-ZDUSSCGKSA-N 1 0 307.394 2.885 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000355058474 158263422 /nfs/dbraw/zinc/26/34/22/158263422.db2.gz MGNDXZBVENUZFM-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC1 ZINC000358345360 158371707 /nfs/dbraw/zinc/37/17/07/158371707.db2.gz NJSMIYSMKAUBSI-CYBMUJFWSA-N 1 0 309.435 2.761 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@](C)(C[NH3+])C1CC1 ZINC000430590585 296798316 /nfs/dbraw/zinc/79/83/16/296798316.db2.gz HTJBKTMIYLXVMZ-MRXNPFEDSA-N 1 0 307.394 2.599 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000129789443 196075788 /nfs/dbraw/zinc/07/57/88/196075788.db2.gz QIIYVNIVMVFYKS-LRDDRELGSA-N 1 0 307.394 2.882 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccccc3[C@@H]2CO)cc1 ZINC000133890915 196343549 /nfs/dbraw/zinc/34/35/49/196343549.db2.gz VIGQBESRBMDWMY-SFHVURJKSA-N 1 0 312.369 2.729 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000134132612 196364711 /nfs/dbraw/zinc/36/47/11/196364711.db2.gz GLNFXNCBNRTDIH-RBSFLKMASA-N 1 0 321.421 2.663 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134433205 196390998 /nfs/dbraw/zinc/39/09/98/196390998.db2.gz MIRGZDSTIYRZIW-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO Cc1noc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000054676274 425891009 /nfs/dbraw/zinc/89/10/09/425891009.db2.gz IFFPCUBBODPDEX-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3c2cccc3O)cc1 ZINC000296646565 226084603 /nfs/dbraw/zinc/08/46/03/226084603.db2.gz IQOPJBHFSQWQKC-INIZCTEOSA-N 1 0 314.341 2.956 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000297331264 227019738 /nfs/dbraw/zinc/01/97/38/227019738.db2.gz ZVVAIFPQVPHDAW-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCn1ccnc1 ZINC000290973879 222042125 /nfs/dbraw/zinc/04/21/25/222042125.db2.gz XUANINJEDCUHNF-UHFFFAOYSA-N 1 0 315.160 2.888 20 5 DFBDRO COc1cc(C[NH2+]C[C@@](C)(OC)C2CC2)c([N+](=O)[O-])cc1OC ZINC000291072428 222116941 /nfs/dbraw/zinc/11/69/41/222116941.db2.gz SDLHUPRJWNWCHO-MRXNPFEDSA-N 1 0 324.377 2.517 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1cccc([N+](=O)[O-])c1C)C[C@@H](C)OC ZINC000291210016 222226003 /nfs/dbraw/zinc/22/60/03/222226003.db2.gz KQIMZUCMZMBRJL-GFCCVEGCSA-N 1 0 323.393 2.589 20 5 DFBDRO COCC[C@@H](COC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353651918 292631166 /nfs/dbraw/zinc/63/11/66/292631166.db2.gz UZBSSXBKXDRZOP-XJKSGUPXSA-N 1 0 308.378 2.613 20 5 DFBDRO COCC[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000299263126 229014235 /nfs/dbraw/zinc/01/42/35/229014235.db2.gz ZFUZSPYIHTXXTH-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000299618294 229268173 /nfs/dbraw/zinc/26/81/73/229268173.db2.gz JPGVFZVPMLNCKI-CYBMUJFWSA-N 1 0 319.405 2.755 20 5 DFBDRO COc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000301646122 229796601 /nfs/dbraw/zinc/79/66/01/229796601.db2.gz PKVRPCZGDVNOPS-ZWNOBZJWSA-N 1 0 311.357 2.883 20 5 DFBDRO Cc1nn(C)c(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000302065197 230075277 /nfs/dbraw/zinc/07/52/77/230075277.db2.gz VSJJAUAEAGJTFI-AAEUAGOBSA-N 1 0 321.425 2.702 20 5 DFBDRO Cc1cccc(NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1[N+](=O)[O-] ZINC000302508302 230275056 /nfs/dbraw/zinc/27/50/56/230275056.db2.gz RJKLNGADSRMPJM-MRXNPFEDSA-N 1 0 320.437 2.587 20 5 DFBDRO CC(C)C[NH+]1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000055899804 425895232 /nfs/dbraw/zinc/89/52/32/425895232.db2.gz DBLMIIMBMPNBAC-UHFFFAOYSA-N 1 0 321.421 2.637 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066532176 425904657 /nfs/dbraw/zinc/90/46/57/425904657.db2.gz GOEKYUBCODZMOW-BETUJISGSA-N 1 0 305.378 2.821 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000066532178 425904772 /nfs/dbraw/zinc/90/47/72/425904772.db2.gz GOEKYUBCODZMOW-STQMWFEESA-N 1 0 305.378 2.821 20 5 DFBDRO Cc1ncsc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000066562561 425905077 /nfs/dbraw/zinc/90/50/77/425905077.db2.gz YWKGHXMNOQIWRW-UHFFFAOYSA-N 1 0 307.375 2.871 20 5 DFBDRO CC(C)[C@H](C)NC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000067458387 425910665 /nfs/dbraw/zinc/91/06/65/425910665.db2.gz GVIVYQSHBOOHEC-AWEZNQCLSA-N 1 0 321.421 2.966 20 5 DFBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000068480567 425918386 /nfs/dbraw/zinc/91/83/86/425918386.db2.gz YRQDBOSVIKNLBD-UHFFFAOYSA-N 1 0 306.366 2.589 20 5 DFBDRO O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1ccc([N+](=O)[O-])o1 ZINC000068526149 425918648 /nfs/dbraw/zinc/91/86/48/425918648.db2.gz LYGURTWCJPZSPI-LBPRGKRZSA-N 1 0 321.377 2.715 20 5 DFBDRO COCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000102419406 425920975 /nfs/dbraw/zinc/92/09/75/425920975.db2.gz DZMMCAIPEIQIPC-UHFFFAOYSA-N 1 0 306.318 2.599 20 5 DFBDRO CCOC(=O)c1cc(NCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000124506749 425923221 /nfs/dbraw/zinc/92/32/21/425923221.db2.gz IQXJQSPCNIWLDD-UHFFFAOYSA-N 1 0 309.366 2.524 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000102925890 425931315 /nfs/dbraw/zinc/93/13/15/425931315.db2.gz HHYDZHSHRLPAEG-INIZCTEOSA-N 1 0 317.389 2.822 20 5 DFBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])s2)CC(C)(C)[NH2+]1 ZINC000010815418 425705016 /nfs/dbraw/zinc/70/50/16/425705016.db2.gz IHGXRSROMBTOML-UHFFFAOYSA-N 1 0 311.407 2.695 20 5 DFBDRO Cc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000045083166 425860024 /nfs/dbraw/zinc/86/00/24/425860024.db2.gz SXZKAWAYZOQJDO-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476515 425812214 /nfs/dbraw/zinc/81/22/14/425812214.db2.gz FPUVFLYGZCSOJR-SMDDNHRTSA-N 1 0 305.378 2.704 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CC1 ZINC000031654261 425835788 /nfs/dbraw/zinc/83/57/88/425835788.db2.gz ZLQHEPSDRITQAV-NSHDSACASA-N 1 0 303.362 2.796 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1cccc([N+](=O)[O-])c1 ZINC000192152449 268024074 /nfs/dbraw/zinc/02/40/74/268024074.db2.gz NAYSRLFPLBNKDV-RISCZKNCSA-N 1 0 304.346 2.731 20 5 DFBDRO Cc1c(C[NH2+]CCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-] ZINC000231883906 268147350 /nfs/dbraw/zinc/14/73/50/268147350.db2.gz YWJAUIJGVRHBCB-UHFFFAOYSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000048050768 425872754 /nfs/dbraw/zinc/87/27/54/425872754.db2.gz RXBZWKBJTIKPCU-ZDUSSCGKSA-N 1 0 320.393 2.838 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269015514 268187299 /nfs/dbraw/zinc/18/72/99/268187299.db2.gz YFGRFTWHOLQPFJ-HUUCEWRRSA-N 1 0 310.419 2.894 20 5 DFBDRO CCC[N@H+](CC)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000270751690 268211250 /nfs/dbraw/zinc/21/12/50/268211250.db2.gz KBXSQVDIYWKWFZ-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000270793962 268218019 /nfs/dbraw/zinc/21/80/19/268218019.db2.gz BJISVXJROZUDJW-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000270992785 268246478 /nfs/dbraw/zinc/24/64/78/268246478.db2.gz XANUCBWYDNRRHC-NSHDSACASA-N 1 0 323.368 2.536 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000272547612 268252667 /nfs/dbraw/zinc/25/26/67/268252667.db2.gz QUPXBJHWTQOXFY-SNVBAGLBSA-N 1 0 312.801 2.810 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1(CO)CCC1 ZINC000293150069 268288545 /nfs/dbraw/zinc/28/85/45/268288545.db2.gz UDVRKDKNZJFRLK-MRXNPFEDSA-N 1 0 306.406 2.914 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000322973164 268349435 /nfs/dbraw/zinc/34/94/35/268349435.db2.gz YZZFGENPPZYSJD-JXMNSVBMSA-N 1 0 317.389 2.632 20 5 DFBDRO CC[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000125664032 425984188 /nfs/dbraw/zinc/98/41/88/425984188.db2.gz XIOGMVOUOLJILY-LLVKDONJSA-N 1 0 302.334 2.877 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000125180245 425957645 /nfs/dbraw/zinc/95/76/45/425957645.db2.gz CTDYDOPIIVTRRS-ZDUSSCGKSA-N 1 0 323.368 2.584 20 5 DFBDRO C[N@@H+](Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)CC1CCC1 ZINC000111299576 426046435 /nfs/dbraw/zinc/04/64/35/426046435.db2.gz SGNIBLXEQXBYNZ-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]CC(C)(C)O)o2)c([N+](=O)[O-])c1 ZINC000111385688 426049162 /nfs/dbraw/zinc/04/91/62/426049162.db2.gz VPRPGTQFNIUSEQ-UHFFFAOYSA-N 1 0 320.345 2.724 20 5 DFBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC(C)(C)O ZINC000162455899 426065435 /nfs/dbraw/zinc/06/54/35/426065435.db2.gz MGUOQMXTELMWEA-UHFFFAOYSA-N 1 0 317.183 2.560 20 5 DFBDRO CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000126362055 426016043 /nfs/dbraw/zinc/01/60/43/426016043.db2.gz VBVDIDFBQZBELF-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072897653 426020842 /nfs/dbraw/zinc/02/08/42/426020842.db2.gz GLLAFBICCXBBHW-STQMWFEESA-N 1 0 317.389 2.604 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000072986875 426022264 /nfs/dbraw/zinc/02/22/64/426022264.db2.gz GDQSLAMEXNHFJG-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000163120263 426090170 /nfs/dbraw/zinc/09/01/70/426090170.db2.gz SXULAUKJIIZIOL-OLZOCXBDSA-N 1 0 320.393 2.850 20 5 DFBDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367705 426097635 /nfs/dbraw/zinc/09/76/35/426097635.db2.gz NGOKILNRHDJJRN-GDBMZVCRSA-N 1 0 321.421 2.665 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000113364883 426113259 /nfs/dbraw/zinc/11/32/59/426113259.db2.gz QQZWBGWDXDDWSC-AWEZNQCLSA-N 1 0 320.393 2.981 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000128574741 426123187 /nfs/dbraw/zinc/12/31/87/426123187.db2.gz AICRAMVXYKLXTM-ZDUSSCGKSA-N 1 0 313.357 2.562 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1F ZINC000114509135 426138915 /nfs/dbraw/zinc/13/89/15/426138915.db2.gz JLZAYMBGIJWJQU-MRXNPFEDSA-N 1 0 322.311 2.870 20 5 DFBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Br ZINC000168956616 426136618 /nfs/dbraw/zinc/13/66/18/426136618.db2.gz XUEPXDZXQSEQMF-QMMMGPOBSA-N 1 0 302.172 2.719 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1 ZINC000128878949 426137161 /nfs/dbraw/zinc/13/71/61/426137161.db2.gz JMMABCJGFMZWKK-NSHDSACASA-N 1 0 309.341 2.794 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)nc1 ZINC000112654807 426085715 /nfs/dbraw/zinc/08/57/15/426085715.db2.gz WZPWBRPFXCUXGX-OAHLLOKOSA-N 1 0 312.373 2.719 20 5 DFBDRO CC[N@H+](CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000112658560 426085808 /nfs/dbraw/zinc/08/58/08/426085808.db2.gz BXNYDQMQLHYFFJ-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@@](CO)([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000077656023 426143223 /nfs/dbraw/zinc/14/32/23/426143223.db2.gz VVWNYTLRYPVUCR-KRWDZBQOSA-N 1 0 322.405 2.895 20 5 DFBDRO CNC(=O)CC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000170783986 426149996 /nfs/dbraw/zinc/14/99/96/426149996.db2.gz URROJZUJIIXKHF-UHFFFAOYSA-N 1 0 324.380 2.514 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000130287513 426153418 /nfs/dbraw/zinc/15/34/18/426153418.db2.gz PECIRQVZGJRXKR-AWEZNQCLSA-N 1 0 305.378 2.704 20 5 DFBDRO Cn1cc(C[NH2+]Cc2ccoc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000171050703 426166821 /nfs/dbraw/zinc/16/68/21/426166821.db2.gz UFYWMNYESWWVPA-UHFFFAOYSA-N 1 0 312.329 2.878 20 5 DFBDRO C[C@@H](C(=O)N(C)Cc1ccccc1[N+](=O)[O-])[NH+]1[C@@H](C)CC[C@@H]1C ZINC000171248596 426178069 /nfs/dbraw/zinc/17/80/69/426178069.db2.gz FWJWMGPPYDXWOC-IHRRRGAJSA-N 1 0 319.405 2.815 20 5 DFBDRO COc1ccc(C[N@H+](C)CCC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000171240306 426178226 /nfs/dbraw/zinc/17/82/26/426178226.db2.gz VUGMYOFCSGLFLO-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000116126876 426179711 /nfs/dbraw/zinc/17/97/11/426179711.db2.gz CYWNLXMWCIGJNA-AWEZNQCLSA-N 1 0 307.394 2.691 20 5 DFBDRO CCCNC(=O)C1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000078656210 426179816 /nfs/dbraw/zinc/17/98/16/426179816.db2.gz ANUKGQQGOKKRJP-UHFFFAOYSA-N 1 0 319.405 2.914 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116130282 426181055 /nfs/dbraw/zinc/18/10/55/426181055.db2.gz KNDDKMADZSRUKQ-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO Cc1c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116320863 426188099 /nfs/dbraw/zinc/18/80/99/426188099.db2.gz NHRRYINSMQDVHF-CQSZACIVSA-N 1 0 300.362 2.626 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095794 426219912 /nfs/dbraw/zinc/21/99/12/426219912.db2.gz MCFIHFFWUABDSY-CZUORRHYSA-N 1 0 321.421 2.766 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439866 426237085 /nfs/dbraw/zinc/23/70/85/426237085.db2.gz RMGPCZWXYQGGIL-JTQLQIEISA-N 1 0 313.785 2.643 20 5 DFBDRO Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000118787490 426244428 /nfs/dbraw/zinc/24/44/28/426244428.db2.gz CVUCBVCVZDPDHT-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000173781741 426247029 /nfs/dbraw/zinc/24/70/29/426247029.db2.gz VQHDYRGTDRTXJR-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1c(CN2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150849328 426264613 /nfs/dbraw/zinc/26/46/13/426264613.db2.gz BJQAUWDJPQTAPI-OAHLLOKOSA-N 1 0 303.406 2.821 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000150940942 426268385 /nfs/dbraw/zinc/26/83/85/426268385.db2.gz IPKALOOEPVHOFW-CYBMUJFWSA-N 1 0 320.393 2.694 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000174997878 426273416 /nfs/dbraw/zinc/27/34/16/426273416.db2.gz CTGGYWDODNBCKZ-LSDHHAIUSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)cc1[N+](=O)[O-] ZINC000151430148 426295859 /nfs/dbraw/zinc/29/58/59/426295859.db2.gz QSSIMUAKAUKXHQ-ZFWWWQNUSA-N 1 0 310.394 2.587 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000120055791 426306473 /nfs/dbraw/zinc/30/64/73/426306473.db2.gz LJUYYENDWMAYQP-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2COC)C1 ZINC000175152197 426282339 /nfs/dbraw/zinc/28/23/39/426282339.db2.gz YGYKZYAWIZAVQD-CQSZACIVSA-N 1 0 321.421 2.909 20 5 DFBDRO NC(=O)[C@H]1C[N@H+](Cc2c3ccccc3cc3ccccc32)CCO1 ZINC000092735338 426351103 /nfs/dbraw/zinc/35/11/03/426351103.db2.gz SRSDRDBIRRKXJI-LJQANCHMSA-N 1 0 320.392 2.679 20 5 DFBDRO Cc1cc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122118489 426358495 /nfs/dbraw/zinc/35/84/95/426358495.db2.gz RRVKTCMRBMRVSC-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccn(CCN(Cc2ccc(F)cc2F)C2CC2)n1 ZINC000176211914 426360691 /nfs/dbraw/zinc/36/06/91/426360691.db2.gz PVBHLLXRZRZGNB-UHFFFAOYSA-N 1 0 322.315 2.734 20 5 DFBDRO C[N@@H+](CCc1ccc(Cl)cc1)CCn1ccc([N+](=O)[O-])n1 ZINC000176244127 426363432 /nfs/dbraw/zinc/36/34/32/426363432.db2.gz ZFWNEZHKDNJQCE-UHFFFAOYSA-N 1 0 308.769 2.619 20 5 DFBDRO Cc1nc(C)c([C@H](C)[N@H+](C)CCn2ccc([N+](=O)[O-])n2)s1 ZINC000176235948 426363672 /nfs/dbraw/zinc/36/36/72/426363672.db2.gz HKJGORPTVLKLDG-JTQLQIEISA-N 1 0 309.395 2.558 20 5 DFBDRO C[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000176263454 426365288 /nfs/dbraw/zinc/36/52/88/426365288.db2.gz KUTBHMRENGGJPI-HOCLYGCPSA-N 1 0 314.389 2.917 20 5 DFBDRO CC(C)(C)[NH2+]CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000153062594 426368288 /nfs/dbraw/zinc/36/82/88/426368288.db2.gz YNIWUFSAIPECPX-UHFFFAOYSA-N 1 0 314.773 2.758 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000122333225 426370554 /nfs/dbraw/zinc/37/05/54/426370554.db2.gz HANYYDCOUSIORQ-RISCZKNCSA-N 1 0 323.368 2.536 20 5 DFBDRO COCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000122538023 426380143 /nfs/dbraw/zinc/38/01/43/426380143.db2.gz JXXLSIDLJFOWJL-UHFFFAOYSA-N 1 0 308.378 2.612 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000340102320 268939920 /nfs/dbraw/zinc/93/99/20/268939920.db2.gz VRFLQNWHCXUYPU-GOEBONIOSA-N 1 0 319.405 2.551 20 5 DFBDRO COCCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000122639247 426386237 /nfs/dbraw/zinc/38/62/37/426386237.db2.gz YMUQDIFBZGCIOP-UHFFFAOYSA-N 1 0 322.405 2.921 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000122668590 426387477 /nfs/dbraw/zinc/38/74/77/426387477.db2.gz AEZVSTDFFIDQAS-WCQYABFASA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000176538332 426392352 /nfs/dbraw/zinc/39/23/52/426392352.db2.gz MTXOFOCYAINNME-UHFFFAOYSA-N 1 0 322.409 2.955 20 5 DFBDRO CC[N@H+](CC(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1)C1CC1 ZINC000154011447 426418980 /nfs/dbraw/zinc/41/89/80/426418980.db2.gz XWWBAROVEFLDLK-UHFFFAOYSA-N 1 0 317.389 2.570 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177025133 426434819 /nfs/dbraw/zinc/43/48/19/426434819.db2.gz FOIHATCTGCNZKT-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000154542613 426444673 /nfs/dbraw/zinc/44/46/73/426444673.db2.gz WKYWHUZRTMQWJF-HZPDHXFCSA-N 1 0 316.361 2.579 20 5 DFBDRO COCCO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000340766461 269009652 /nfs/dbraw/zinc/00/96/52/269009652.db2.gz IIAIGTAUNFVLNG-UONOGXRCSA-N 1 0 308.378 2.783 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N(C)CC1([NH+](C)C)CCC1 ZINC000340861202 269023826 /nfs/dbraw/zinc/02/38/26/269023826.db2.gz DFRJNLLFCXYEPJ-UHFFFAOYSA-N 1 0 305.378 2.718 20 5 DFBDRO Cc1c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000341061953 269037235 /nfs/dbraw/zinc/03/72/35/269037235.db2.gz ATJOWLMXQQDWMC-BETUJISGSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000341068151 269037583 /nfs/dbraw/zinc/03/75/83/269037583.db2.gz YFYRTKPFSAQVFK-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1cnn(-c2ccncc2NC(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000124162814 426473431 /nfs/dbraw/zinc/47/34/31/426473431.db2.gz WBHRFUABJQGQET-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccccc1[N+](=O)[O-] ZINC000177411892 426476789 /nfs/dbraw/zinc/47/67/89/426476789.db2.gz FPEWFVVIZXSQNB-UHFFFAOYSA-N 1 0 317.389 2.732 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177462234 426481299 /nfs/dbraw/zinc/48/12/99/426481299.db2.gz DRESLXFMWFHJHB-HUUCEWRRSA-N 1 0 319.405 2.760 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000124365218 426481469 /nfs/dbraw/zinc/48/14/69/426481469.db2.gz UMOMIIUSGLZWQC-UHFFFAOYSA-N 1 0 301.346 2.543 20 5 DFBDRO Cc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000124406780 426483141 /nfs/dbraw/zinc/48/31/41/426483141.db2.gz PAJOGFNPVTYBAR-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000101912781 426486927 /nfs/dbraw/zinc/48/69/27/426486927.db2.gz TYQHZYKAEFTZLK-HNNXBMFYSA-N 1 0 319.405 2.723 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280155514 426509137 /nfs/dbraw/zinc/50/91/37/426509137.db2.gz BNHBNFBQORYTDA-ABAIWWIYSA-N 1 0 305.378 2.574 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000195343969 426517435 /nfs/dbraw/zinc/51/74/35/426517435.db2.gz PMNSNINKNOBVPW-CYBMUJFWSA-N 1 0 309.414 2.652 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCOCC2 ZINC000186394436 426518200 /nfs/dbraw/zinc/51/82/00/426518200.db2.gz OIHBZLRZQKWXGU-CVEARBPZSA-N 1 0 320.389 2.659 20 5 DFBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000177913287 426537544 /nfs/dbraw/zinc/53/75/44/426537544.db2.gz HJTWAAFDFWKQRF-WDEREUQCSA-N 1 0 302.334 2.875 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC3(CCOCC3)C2)c1 ZINC000186499016 426538860 /nfs/dbraw/zinc/53/88/60/426538860.db2.gz LAWQKWJGOJWMME-UHFFFAOYSA-N 1 0 308.403 2.693 20 5 DFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000288925066 426552784 /nfs/dbraw/zinc/55/27/84/426552784.db2.gz VJLGEUAEMFZDJW-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177488305 426489040 /nfs/dbraw/zinc/48/90/40/426489040.db2.gz KSMKTBBFEUFFAV-STQMWFEESA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177591930 426498337 /nfs/dbraw/zinc/49/83/37/426498337.db2.gz KLLIYOSCEFMGEJ-UONOGXRCSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000186314650 426503656 /nfs/dbraw/zinc/50/36/56/426503656.db2.gz SWTBSHBHOVELQD-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@@H+]2CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000264147546 426505751 /nfs/dbraw/zinc/50/57/51/426505751.db2.gz ZKGSBEPEENGLJV-INIZCTEOSA-N 1 0 316.361 2.544 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688325 426505850 /nfs/dbraw/zinc/50/58/50/426505850.db2.gz VPGBINCBNHFROG-UKRRQHHQSA-N 1 0 321.421 2.908 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000264562644 426574373 /nfs/dbraw/zinc/57/43/73/426574373.db2.gz QYCQBDLZIURXDR-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000280461676 426581695 /nfs/dbraw/zinc/58/16/95/426581695.db2.gz ZXBUUYBFFCDNIB-INWMFGNUSA-N 1 0 320.389 2.705 20 5 DFBDRO Cc1cccc([C@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000273062635 426585810 /nfs/dbraw/zinc/58/58/10/426585810.db2.gz IAEYXKYFQJRNJE-HNNXBMFYSA-N 1 0 300.362 2.589 20 5 DFBDRO C[C@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273076456 426587806 /nfs/dbraw/zinc/58/78/06/426587806.db2.gz PNCNVPFCBURAPN-HOTGVXAUSA-N 1 0 306.362 2.521 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)OCCO1 ZINC000273103447 426592984 /nfs/dbraw/zinc/59/29/84/426592984.db2.gz OZUMISWPONBGBI-CYBMUJFWSA-N 1 0 324.352 2.709 20 5 DFBDRO C[C@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000178401237 426621755 /nfs/dbraw/zinc/62/17/55/426621755.db2.gz BBYFETMUWHJYNP-OLZOCXBDSA-N 1 0 319.405 2.798 20 5 DFBDRO Cc1c(NC(=O)NCC2(C)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000272576605 426562208 /nfs/dbraw/zinc/56/22/08/426562208.db2.gz SROBPHIYJJIKFL-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO [NH3+]C[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178491683 426641023 /nfs/dbraw/zinc/64/10/23/426641023.db2.gz NKQLKLDAPQWRNN-GFCCVEGCSA-N 1 0 319.386 2.763 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC=C(C)C1 ZINC000280722739 426641977 /nfs/dbraw/zinc/64/19/77/426641977.db2.gz FXXCNTNFOZSBAT-UHFFFAOYSA-N 1 0 303.362 2.884 20 5 DFBDRO CC[NH+](CC)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231628649 426651058 /nfs/dbraw/zinc/65/10/58/426651058.db2.gz MJZGBZZKGMOEMB-UHFFFAOYSA-N 1 0 317.187 2.506 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273365797 426652471 /nfs/dbraw/zinc/65/24/71/426652471.db2.gz FYUFJZAHXVOSDQ-IINYFYTJSA-N 1 0 324.356 2.538 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCN2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000178599378 426662640 /nfs/dbraw/zinc/66/26/40/426662640.db2.gz SUINDMACPHAJGB-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO CNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000178643045 426668507 /nfs/dbraw/zinc/66/85/07/426668507.db2.gz PFKZTRQILYLFRZ-LBPRGKRZSA-N 1 0 313.357 2.805 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3(CO)CCC3)o2)c1 ZINC000178639771 426669315 /nfs/dbraw/zinc/66/93/15/426669315.db2.gz JQFWTRLZJQXLPH-UHFFFAOYSA-N 1 0 302.330 2.859 20 5 DFBDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178643438 426670126 /nfs/dbraw/zinc/67/01/26/426670126.db2.gz VFFJIOQRVPAANS-LLVKDONJSA-N 1 0 302.378 2.838 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273488085 426673593 /nfs/dbraw/zinc/67/35/93/426673593.db2.gz RXTNGTYZDCJNOU-NSHDSACASA-N 1 0 324.356 2.730 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NCC(C)C)cc1[N+](=O)[O-] ZINC000178683291 426674487 /nfs/dbraw/zinc/67/44/87/426674487.db2.gz IDACYNIDUHZFIF-CHWSQXEVSA-N 1 0 307.394 2.715 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686254 426676901 /nfs/dbraw/zinc/67/69/01/426676901.db2.gz AXUVQYLOHXRVTK-ZFWWWQNUSA-N 1 0 319.405 2.953 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCCc2c1cnn2C ZINC000178730773 426685252 /nfs/dbraw/zinc/68/52/52/426685252.db2.gz NODJSYIAGILJSF-CQSZACIVSA-N 1 0 316.361 2.504 20 5 DFBDRO CCC(=O)c1ccc(N(C)[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280643101 426623698 /nfs/dbraw/zinc/62/36/98/426623698.db2.gz DNSMRAQHNBPYCN-CYBMUJFWSA-N 1 0 305.378 2.718 20 5 DFBDRO CN(CC[NH2+]Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C ZINC000227761084 426630220 /nfs/dbraw/zinc/63/02/20/426630220.db2.gz TYZVNFTZLMYVOR-UHFFFAOYSA-N 1 0 309.366 2.551 20 5 DFBDRO CCOc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000273898296 426713294 /nfs/dbraw/zinc/71/32/94/426713294.db2.gz VIBPYFJVSKZYDR-UONOGXRCSA-N 1 0 319.405 2.914 20 5 DFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000265944746 426715773 /nfs/dbraw/zinc/71/57/73/426715773.db2.gz GKZSKFNCLBQKDM-CYBMUJFWSA-N 1 0 310.737 2.973 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000188037590 426715884 /nfs/dbraw/zinc/71/58/84/426715884.db2.gz DYLXKCBRVGSXIF-CMDGGOBGSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@H](NC(=O)[C@H](C1CC1)[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000273612250 426696775 /nfs/dbraw/zinc/69/67/75/426696775.db2.gz RNLTYOMUZDZSRJ-LRDDRELGSA-N 1 0 317.389 2.646 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCN2CC=CCC2)cc1[N+](=O)[O-] ZINC000280974129 426698722 /nfs/dbraw/zinc/69/87/22/426698722.db2.gz LOCALDUHRSHIBI-CQSZACIVSA-N 1 0 319.405 2.906 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000274451176 426771464 /nfs/dbraw/zinc/77/14/64/426771464.db2.gz IXUBRHFWAQWFHG-NSHDSACASA-N 1 0 311.407 2.567 20 5 DFBDRO O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188753395 426786562 /nfs/dbraw/zinc/78/65/62/426786562.db2.gz OAOGLCGRXUJNJP-XBXARRHUSA-N 1 0 323.352 2.528 20 5 DFBDRO C[C@@H]1[C@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942654 426801086 /nfs/dbraw/zinc/80/10/86/426801086.db2.gz QIDQBPCSLFGKMN-ZBFHGGJFSA-N 1 0 314.389 2.744 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000290860489 426857184 /nfs/dbraw/zinc/85/71/84/426857184.db2.gz INNUKBOUCVUJEM-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO Cc1cc(NC2CC[NH+](CCOC(C)C)CC2)ncc1[N+](=O)[O-] ZINC000267013617 426811560 /nfs/dbraw/zinc/81/15/60/426811560.db2.gz HDZVTXZUSGYTBU-UHFFFAOYSA-N 1 0 322.409 2.600 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)c(F)c1 ZINC000267032792 426813403 /nfs/dbraw/zinc/81/34/03/426813403.db2.gz NCSHJRHODCEPLW-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000267133861 426828828 /nfs/dbraw/zinc/82/88/28/426828828.db2.gz FJQVOKHLJAPTOW-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c([N+](=O)[O-])cc1O ZINC000282145141 426837494 /nfs/dbraw/zinc/83/74/94/426837494.db2.gz HGOLAILWENNRIV-ZSBIGDGJSA-N 1 0 324.377 2.602 20 5 DFBDRO C[C@@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000266917976 426796367 /nfs/dbraw/zinc/79/63/67/426796367.db2.gz HDBZJMJWNQQYFC-LBPRGKRZSA-N 1 0 305.378 2.678 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000268128680 426922681 /nfs/dbraw/zinc/92/26/81/426922681.db2.gz BCASTYJQEPFIRE-LLVKDONJSA-N 1 0 311.357 2.521 20 5 DFBDRO C[C@H](CCC[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000295311413 426901765 /nfs/dbraw/zinc/90/17/65/426901765.db2.gz WBOJHKVRZAPAOP-LLVKDONJSA-N 1 0 307.394 2.750 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000317158904 426955180 /nfs/dbraw/zinc/95/51/80/426955180.db2.gz HCXSYUNAUZDHRN-CYBMUJFWSA-N 1 0 302.378 2.953 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N(C)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000181530324 426957340 /nfs/dbraw/zinc/95/73/40/426957340.db2.gz ANAFQIFEYQQPFG-HNNXBMFYSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CSC1(C)C ZINC000283140755 426961063 /nfs/dbraw/zinc/96/10/63/426961063.db2.gz HEBWWJXFJXTYJD-ZWNOBZJWSA-N 1 0 323.418 2.796 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)N[C@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181545842 426962249 /nfs/dbraw/zinc/96/22/49/426962249.db2.gz DLVJNFAYACFMQL-DOMZBBRYSA-N 1 0 307.394 2.796 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247975902 426969848 /nfs/dbraw/zinc/96/98/48/426969848.db2.gz KVPPFBMDILMLDL-YOEHRIQHSA-N 1 0 320.389 2.730 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCCCC2)cc1[N+](=O)[O-] ZINC000181806700 426982378 /nfs/dbraw/zinc/98/23/78/426982378.db2.gz WCNPNUWJNXZBLI-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293609 426989964 /nfs/dbraw/zinc/98/99/64/426989964.db2.gz YBBVGFAIVUEIDU-IUODEOHRSA-N 1 0 309.385 2.896 20 5 DFBDRO CC1(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000268154503 426931703 /nfs/dbraw/zinc/93/17/03/426931703.db2.gz RVBCLTNTFAXLJZ-UHFFFAOYSA-N 1 0 320.389 2.612 20 5 DFBDRO CCC1(C)CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000337705297 426932846 /nfs/dbraw/zinc/93/28/46/426932846.db2.gz ZQGGOICSYFCZFJ-OAHLLOKOSA-N 1 0 322.405 2.847 20 5 DFBDRO C[NH+](C)CCN(Cc1cccs1)c1ncccc1[N+](=O)[O-] ZINC000268358516 426996331 /nfs/dbraw/zinc/99/63/31/426996331.db2.gz WFWJLJNSKMVFMC-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](n3cccn3)C2)c(F)c1 ZINC000291852613 427008025 /nfs/dbraw/zinc/00/80/25/427008025.db2.gz PCLADSVQVSQUKR-SNVBAGLBSA-N 1 0 308.288 2.517 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])c(C)n2)CC1 ZINC000295568307 427009934 /nfs/dbraw/zinc/00/99/34/427009934.db2.gz QWJNIWRGKSIJJX-UHFFFAOYSA-N 1 0 321.425 2.642 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCC(=O)NC12CCC2)c1cccc([N+](=O)[O-])c1 ZINC000283461697 427018859 /nfs/dbraw/zinc/01/88/59/427018859.db2.gz VLKZFZLKFHQURF-GJZGRUSLSA-N 1 0 317.389 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH+](C3CCCC3)CC2)cc1F ZINC000276324125 427033991 /nfs/dbraw/zinc/03/39/91/427033991.db2.gz PKTKQTSDOHCYDB-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000276374616 427048670 /nfs/dbraw/zinc/04/86/70/427048670.db2.gz CKUAKLXNKLDJGQ-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000291991348 427051107 /nfs/dbraw/zinc/05/11/07/427051107.db2.gz UNJYPNPRVZPGLH-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283737173 427066302 /nfs/dbraw/zinc/06/63/02/427066302.db2.gz IPYRSZZSZZLWCQ-AWEZNQCLSA-N 1 0 319.405 2.966 20 5 DFBDRO O=[N+]([O-])c1c(NC2CC[NH+](C3CCC3)CC2)nc2sccn21 ZINC000296109460 427078591 /nfs/dbraw/zinc/07/85/91/427078591.db2.gz VEOKOTUSNKCOBE-UHFFFAOYSA-N 1 0 321.406 2.733 20 5 DFBDRO COC(=O)[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000249034484 427079495 /nfs/dbraw/zinc/07/94/95/427079495.db2.gz FTULDJKZNFYGIE-YWPYICTPSA-N 1 0 306.362 2.787 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190338924 427079924 /nfs/dbraw/zinc/07/99/24/427079924.db2.gz YGRKUUMOUWQNFB-FMKPAKJESA-N 1 0 306.362 2.651 20 5 DFBDRO CCN(CCC[NH+](CC)CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000276521099 427089942 /nfs/dbraw/zinc/08/99/42/427089942.db2.gz XQZZJSZSHWQEQX-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@@H]1CCC[N@H+](C)C1 ZINC000276540826 427094758 /nfs/dbraw/zinc/09/47/58/427094758.db2.gz DFABCHOZJCVEJB-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO CCCCOC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292131724 427101068 /nfs/dbraw/zinc/10/10/68/427101068.db2.gz LGYNTEZFSDUVFL-ZDUSSCGKSA-N 1 0 310.394 2.597 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCCCCC1 ZINC000338031214 427104519 /nfs/dbraw/zinc/10/45/19/427104519.db2.gz WRYGULHIZDSRNZ-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO CS[C@@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296212257 427114284 /nfs/dbraw/zinc/11/42/84/427114284.db2.gz JRISQVWFOJAWNU-GFCCVEGCSA-N 1 0 323.418 2.669 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(c3c4ccccc4ncc3[N+](=O)[O-])C2)C1 ZINC000292288127 427160627 /nfs/dbraw/zinc/16/06/27/427160627.db2.gz MXANDLWPLAOBDG-KRWDZBQOSA-N 1 0 312.373 2.675 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268861696 427134133 /nfs/dbraw/zinc/13/41/33/427134133.db2.gz ROIBZVNMCGVALA-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@H]2CCO[C@H]21 ZINC000296316021 427145029 /nfs/dbraw/zinc/14/50/29/427145029.db2.gz QACKZZQGLJINQO-OWYVNGRQSA-N 1 0 312.316 2.776 20 5 DFBDRO C[C@H](NCC[N@H+](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284231772 427159067 /nfs/dbraw/zinc/15/90/67/427159067.db2.gz UQXYINCDHVPTNN-LBPRGKRZSA-N 1 0 306.410 2.702 20 5 DFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000251923632 427165998 /nfs/dbraw/zinc/16/59/98/427165998.db2.gz YEHZJRSETHBLEG-PSASIEDQSA-N 1 0 314.183 2.531 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000270494247 271298972 /nfs/dbraw/zinc/29/89/72/271298972.db2.gz DNUWXBALSUOVBI-LLVKDONJSA-N 1 0 311.357 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000270534329 271305549 /nfs/dbraw/zinc/30/55/49/271305549.db2.gz VRGHVBOZJKRUIW-BMFZPTHFSA-N 1 0 302.374 2.685 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277339740 427170355 /nfs/dbraw/zinc/17/03/55/427170355.db2.gz FHFVIDRHENEMAH-SWLSCSKDSA-N 1 0 308.378 2.897 20 5 DFBDRO Cc1cc(NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000301282459 271361402 /nfs/dbraw/zinc/36/14/02/271361402.db2.gz PABRVBUQDMMEHL-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302410834 271363147 /nfs/dbraw/zinc/36/31/47/271363147.db2.gz GWRCQRIJTHRISZ-LBPRGKRZSA-N 1 0 304.394 2.707 20 5 DFBDRO CC[C@H](CO)[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000303367809 271364461 /nfs/dbraw/zinc/36/44/61/271364461.db2.gz IJQGPAVTMLQTRA-LLVKDONJSA-N 1 0 320.345 2.724 20 5 DFBDRO CC[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284333614 427185091 /nfs/dbraw/zinc/18/50/91/427185091.db2.gz MKTZKRXXCFPFRG-CWRNSKLLSA-N 1 0 324.421 2.794 20 5 DFBDRO Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ncc1[N+](=O)[O-] ZINC000269396575 427187437 /nfs/dbraw/zinc/18/74/37/427187437.db2.gz FAUGXTJYZCYVCG-DZGCQCFKSA-N 1 0 316.405 2.751 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000296483339 427194595 /nfs/dbraw/zinc/19/45/95/427194595.db2.gz KPXIOFFEIIGUEV-NSHDSACASA-N 1 0 309.366 2.508 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H]1CCOC1 ZINC000292704388 427196964 /nfs/dbraw/zinc/19/69/64/427196964.db2.gz ASYAIOPACICAMP-NSHDSACASA-N 1 0 304.268 2.834 20 5 DFBDRO Cc1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000269440630 427197096 /nfs/dbraw/zinc/19/70/96/427197096.db2.gz SMPXSYBHOYAFCL-DZGCQCFKSA-N 1 0 316.405 2.751 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269453541 427200206 /nfs/dbraw/zinc/20/02/06/427200206.db2.gz WMFMPAUCIVZNPZ-CZUORRHYSA-N 1 0 316.405 2.751 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183206730 427223268 /nfs/dbraw/zinc/22/32/68/427223268.db2.gz PPCFZMYVUGTXOT-LBPRGKRZSA-N 1 0 307.394 2.716 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000338277827 427226791 /nfs/dbraw/zinc/22/67/91/427226791.db2.gz SOJHTWBXTUJLLQ-INIZCTEOSA-N 1 0 321.421 2.840 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)CC1 ZINC000296784635 427232480 /nfs/dbraw/zinc/23/24/80/427232480.db2.gz SGRUMYWPGFTJQT-KBPBESRZSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C)CC1 ZINC000296784654 427233307 /nfs/dbraw/zinc/23/33/07/427233307.db2.gz SGRUMYWPGFTJQT-UONOGXRCSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1nccnc1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293191709 427239702 /nfs/dbraw/zinc/23/97/02/427239702.db2.gz XFNJSWGQGLKZCM-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@H](c2nccs2)C1 ZINC000183319308 427244652 /nfs/dbraw/zinc/24/46/52/427244652.db2.gz BBVAQWGJWONSDG-AWEZNQCLSA-N 1 0 319.386 2.933 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3sccc3C2)c1 ZINC000269687510 427252396 /nfs/dbraw/zinc/25/23/96/427252396.db2.gz TZPWXGCLMRRPOJ-AWEZNQCLSA-N 1 0 304.371 2.748 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)c1[N+](=O)[O-] ZINC000277597165 427255192 /nfs/dbraw/zinc/25/51/92/427255192.db2.gz TUDRIAKPAYSKPL-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1nc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)ncc1[N+](=O)[O-] ZINC000296879926 427263953 /nfs/dbraw/zinc/26/39/53/427263953.db2.gz WYCDBZTURJLDLR-AWEZNQCLSA-N 1 0 319.409 2.902 20 5 DFBDRO CCc1nocc1CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000293267586 427267283 /nfs/dbraw/zinc/26/72/83/427267283.db2.gz BSPHXYVTKZXMQN-UHFFFAOYSA-N 1 0 305.334 2.786 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000330589717 427271062 /nfs/dbraw/zinc/27/10/62/427271062.db2.gz POJKKHKPQGIEDW-QWRGUYRKSA-N 1 0 307.350 2.739 20 5 DFBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1O ZINC000183456581 427272978 /nfs/dbraw/zinc/27/29/78/427272978.db2.gz YJMWHFGNXOCPDP-UHFFFAOYSA-N 1 0 302.330 2.907 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1ccccc1[N+](=O)[O-] ZINC000285572118 427275939 /nfs/dbraw/zinc/27/59/39/427275939.db2.gz NTVXBRFMBNVKFC-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338358401 427276924 /nfs/dbraw/zinc/27/69/24/427276924.db2.gz NFBHGBGJVIARBI-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000293299386 427280902 /nfs/dbraw/zinc/28/09/02/427280902.db2.gz WJPWNPOTCIMGSB-INIZCTEOSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000277732910 427300192 /nfs/dbraw/zinc/30/01/92/427300192.db2.gz OVIOUEUYUGIFDN-MRXNPFEDSA-N 1 0 304.321 2.866 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1cccs1 ZINC000285667921 427305617 /nfs/dbraw/zinc/30/56/17/427305617.db2.gz PGSHOOAOVNOOLU-CYBMUJFWSA-N 1 0 306.391 2.953 20 5 DFBDRO Cc1c(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000297093191 427327557 /nfs/dbraw/zinc/32/75/57/427327557.db2.gz CIADDZJIWSCQOS-YHWZYXNKSA-N 1 0 318.377 2.650 20 5 DFBDRO C[C@@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCO[C@H]1C1CC1 ZINC000285756615 427328234 /nfs/dbraw/zinc/32/82/34/427328234.db2.gz VUZYBRQGPAWKPV-LSDHHAIUSA-N 1 0 312.316 2.920 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338472668 427336823 /nfs/dbraw/zinc/33/68/23/427336823.db2.gz CVEABOAJAYMNAI-OAHLLOKOSA-N 1 0 319.405 2.865 20 5 DFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000331113056 427348519 /nfs/dbraw/zinc/34/85/19/427348519.db2.gz JJNIMTJGYPRLLP-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[C@@]1([NH2+]Cc2cc(OC)c(F)cc2[N+](=O)[O-])CCOC1 ZINC000285616870 427288267 /nfs/dbraw/zinc/28/82/67/427288267.db2.gz QKBFHBXRVFCODJ-OAHLLOKOSA-N 1 0 312.341 2.791 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1F ZINC000277707349 427291918 /nfs/dbraw/zinc/29/19/18/427291918.db2.gz OQIHXGDVCPWBLZ-VXGBXAGGSA-N 1 0 323.368 2.645 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285634297 427296309 /nfs/dbraw/zinc/29/63/09/427296309.db2.gz XIIPAGDKTIZHAI-UHFFFAOYSA-N 1 0 314.769 2.927 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000297264518 427377623 /nfs/dbraw/zinc/37/76/23/427377623.db2.gz RXKGVDILWRBIFL-UHFFFAOYSA-N 1 0 305.378 2.529 20 5 DFBDRO C[C@H]([NH2+]C[C@H](c1ccco1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632817 427388883 /nfs/dbraw/zinc/38/88/83/427388883.db2.gz HRSNRMMBZNRMRS-XHDPSFHLSA-N 1 0 318.377 2.724 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc2c1OCO2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293644056 427393066 /nfs/dbraw/zinc/39/30/66/427393066.db2.gz IIAASMDKKVSWBD-SNVBAGLBSA-N 1 0 315.329 2.757 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2ccnc2)cc1[N+](=O)[O-] ZINC000271072776 427394549 /nfs/dbraw/zinc/39/45/49/427394549.db2.gz FSNJQGYFRPSAAI-OLZOCXBDSA-N 1 0 318.377 2.929 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cccc2[N+](=O)[O-])C1 ZINC000278084695 427399303 /nfs/dbraw/zinc/39/93/03/427399303.db2.gz XOWFXFHXTXEOCW-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@]2(CO)CC(C)C)cc1[N+](=O)[O-] ZINC000191658540 427400656 /nfs/dbraw/zinc/40/06/56/427400656.db2.gz QBIOWUNEYMCEOU-KRWDZBQOSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1CO ZINC000191718523 427413535 /nfs/dbraw/zinc/41/35/35/427413535.db2.gz MYGKGTDOLVZRSU-OLZOCXBDSA-N 1 0 316.357 2.915 20 5 DFBDRO C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153854 427417657 /nfs/dbraw/zinc/41/76/57/427417657.db2.gz AMXVHRGEWGBIFB-LRDDRELGSA-N 1 0 300.362 2.847 20 5 DFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]12 ZINC000262526235 427362232 /nfs/dbraw/zinc/36/22/32/427362232.db2.gz OXHPFFIBJMUNQE-DVVUODLYSA-N 1 0 315.295 2.787 20 5 DFBDRO CCOc1cc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331195228 427366607 /nfs/dbraw/zinc/36/66/07/427366607.db2.gz XVWUMIAZKOBVAM-OLZOCXBDSA-N 1 0 307.394 2.518 20 5 DFBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286305922 427487796 /nfs/dbraw/zinc/48/77/96/427487796.db2.gz VVSGVQBPDHRNDT-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO CC(C)C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000286219380 427458406 /nfs/dbraw/zinc/45/84/06/427458406.db2.gz STBRREIRXYWZAT-JTQLQIEISA-N 1 0 323.422 2.988 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000184435757 427461091 /nfs/dbraw/zinc/46/10/91/427461091.db2.gz DRQHIDQEOQSOME-JTQLQIEISA-N 1 0 320.374 2.731 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000286305924 427488423 /nfs/dbraw/zinc/48/84/23/427488423.db2.gz VVSGVQBPDHRNDT-YPMHNXCESA-N 1 0 321.377 2.710 20 5 DFBDRO Cc1cc(N2CCC[C@@](F)(CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000286289672 427481529 /nfs/dbraw/zinc/48/15/29/427481529.db2.gz FLJIUCDFXJWUDM-INIZCTEOSA-N 1 0 319.336 2.752 20 5 DFBDRO C[C@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000331732828 427482913 /nfs/dbraw/zinc/48/29/13/427482913.db2.gz SDAMUFKAZGHZPN-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1cnccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000340929227 271759662 /nfs/dbraw/zinc/75/96/62/271759662.db2.gz QXBWYGWOKZHGQZ-IYBDPMFKSA-N 1 0 324.384 2.558 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)c1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293792341 427438961 /nfs/dbraw/zinc/43/89/61/427438961.db2.gz QQZUXGOLFOFYND-QFYYESIMSA-N 1 0 319.336 2.700 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1SC ZINC000297747718 427444706 /nfs/dbraw/zinc/44/47/06/427444706.db2.gz UCJSLZPRWFKVLL-ZNMIVQPWSA-N 1 0 310.419 2.636 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271368586 427512155 /nfs/dbraw/zinc/51/21/55/427512155.db2.gz JKDWOGCXKLPBSE-NWDGAFQWSA-N 1 0 324.377 2.517 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)C(=O)c1ccccc1[N+](=O)[O-] ZINC000286401168 427515763 /nfs/dbraw/zinc/51/57/63/427515763.db2.gz ZPUVHIVXCZDNRP-UHFFFAOYSA-N 1 0 319.405 2.933 20 5 DFBDRO COc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1[N+](=O)[O-] ZINC000341454037 271825001 /nfs/dbraw/zinc/82/50/01/271825001.db2.gz LWDFNQJPLCDBSI-UHFFFAOYSA-N 1 0 312.285 2.503 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000278979246 427521170 /nfs/dbraw/zinc/52/11/70/427521170.db2.gz CQBUMQGFWZHNRI-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000278994260 427523576 /nfs/dbraw/zinc/52/35/76/427523576.db2.gz FDCNHTOOHROYFH-NSHDSACASA-N 1 0 314.345 2.799 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000294037458 427529915 /nfs/dbraw/zinc/52/99/15/427529915.db2.gz XDVNWLWLZVYGFU-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO CCOC1(C)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000298215668 427537472 /nfs/dbraw/zinc/53/74/72/427537472.db2.gz FDLAJOFHTKZKFX-UHFFFAOYSA-N 1 0 308.378 2.994 20 5 DFBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271438328 427539335 /nfs/dbraw/zinc/53/93/35/427539335.db2.gz BPGWYIDHSZETQN-STQMWFEESA-N 1 0 305.378 2.821 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cs1 ZINC000263693939 427546048 /nfs/dbraw/zinc/54/60/48/427546048.db2.gz PKCJNYOETZSBGJ-UHFFFAOYSA-N 1 0 323.340 2.773 20 5 DFBDRO CCOC1(C)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000298254873 427549380 /nfs/dbraw/zinc/54/93/80/427549380.db2.gz LHVZKNWPBDAFFA-HNNXBMFYSA-N 1 0 308.378 2.519 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000294108269 427549712 /nfs/dbraw/zinc/54/97/12/427549712.db2.gz LCYHBXJMCXKXGE-HNNXBMFYSA-N 1 0 323.418 2.523 20 5 DFBDRO Cn1cc(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000192806047 427614090 /nfs/dbraw/zinc/61/40/90/427614090.db2.gz MWQPEQDVWYRPQX-QGZVFWFLSA-N 1 0 314.389 2.928 20 5 DFBDRO Cc1cc(COC(=O)C2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000192818009 427618494 /nfs/dbraw/zinc/61/84/94/427618494.db2.gz VLLCHRFTZSGMGK-UHFFFAOYSA-N 1 0 318.373 2.821 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279267958 427620062 /nfs/dbraw/zinc/62/00/62/427620062.db2.gz NBLSDFJZMNXNGW-XPKDYRNWSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000287266652 427564582 /nfs/dbraw/zinc/56/45/82/427564582.db2.gz SDVQVSYSSFSISX-XJKSGUPXSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271509745 427567106 /nfs/dbraw/zinc/56/71/06/427567106.db2.gz NAZJCVWXFPCWAN-JOYOIKCWSA-N 1 0 306.284 2.867 20 5 DFBDRO CC(C)(C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OCCO ZINC000287286451 427569213 /nfs/dbraw/zinc/56/92/13/427569213.db2.gz JWZNDVBTCXQEGC-OAHLLOKOSA-N 1 0 322.405 2.694 20 5 DFBDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000338952670 427586710 /nfs/dbraw/zinc/58/67/10/427586710.db2.gz HVJKTUNOWHMLJR-OAHLLOKOSA-N 1 0 308.378 2.531 20 5 DFBDRO CC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000263845477 427588833 /nfs/dbraw/zinc/58/88/33/427588833.db2.gz ZLUQYWYJJYHLJW-GQCTYLIASA-N 1 0 317.389 2.645 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279204359 427594916 /nfs/dbraw/zinc/59/49/16/427594916.db2.gz GJPROBARONTEMR-GXFFZTMASA-N 1 0 302.334 2.923 20 5 DFBDRO C[C@@H](O)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000294373241 427640451 /nfs/dbraw/zinc/64/04/51/427640451.db2.gz BCJJYNLCAPOMAJ-NXEZZACHSA-N 1 0 318.295 2.816 20 5 DFBDRO COc1cc(C[N@H+](C)[C@@H](CO)CC(C)C)c([N+](=O)[O-])cc1F ZINC000185373086 427643734 /nfs/dbraw/zinc/64/37/34/427643734.db2.gz RHHWKLNFXPDIFG-GFCCVEGCSA-N 1 0 314.357 2.581 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1 ZINC000279348879 427647959 /nfs/dbraw/zinc/64/79/59/427647959.db2.gz VIYBBEUJLPOWLP-ZWNOBZJWSA-N 1 0 302.334 2.923 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287648947 427664022 /nfs/dbraw/zinc/66/40/22/427664022.db2.gz LFMIBRDILHMKKA-CMPLNLGQSA-N 1 0 304.268 2.794 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000342554000 272023317 /nfs/dbraw/zinc/02/33/17/272023317.db2.gz AFGOGRRVGXCSJJ-GFCCVEGCSA-N 1 0 308.382 2.837 20 5 DFBDRO COc1cc(C[N@H+](C)CC[C@@H]2CCCO2)c([N+](=O)[O-])cc1F ZINC000342582206 272027624 /nfs/dbraw/zinc/02/76/24/272027624.db2.gz GIKXNFRTYQTPBY-LBPRGKRZSA-N 1 0 312.341 2.743 20 5 DFBDRO CCOC(=O)CN(Cc1cccc([N+](=O)[O-])c1C)C1CCC1 ZINC000342628039 272033326 /nfs/dbraw/zinc/03/33/26/272033326.db2.gz FCLMDYIMWIAVLD-UHFFFAOYSA-N 1 0 306.362 2.821 20 5 DFBDRO C[C@H](CNC(=O)c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000343068689 272082179 /nfs/dbraw/zinc/08/21/79/272082179.db2.gz VPVZABMHIBSDKG-QWHCGFSZSA-N 1 0 305.378 2.588 20 5 DFBDRO CCc1ccc([C@@H](COC)NCc2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000339082671 427667913 /nfs/dbraw/zinc/66/79/13/427667913.db2.gz BPIBDXLSQGZSFM-CQSZACIVSA-N 1 0 320.345 2.933 20 5 DFBDRO C[C@@H]1C[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000287683337 427668117 /nfs/dbraw/zinc/66/81/17/427668117.db2.gz COEXLWBXUBPQEI-BDAKNGLRSA-N 1 0 319.390 2.637 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000343463536 272153385 /nfs/dbraw/zinc/15/33/85/272153385.db2.gz UDJJEHJJUYZWFH-ZWNOBZJWSA-N 1 0 323.418 2.529 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343558846 272170575 /nfs/dbraw/zinc/17/05/75/272170575.db2.gz CQIDEPSYNQRPQJ-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000343636376 272190196 /nfs/dbraw/zinc/19/01/96/272190196.db2.gz AZOVJTUMXQIJIM-INIZCTEOSA-N 1 0 319.405 2.518 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343905648 272234762 /nfs/dbraw/zinc/23/47/62/272234762.db2.gz JNQWLJMBXVPAHL-UHFFFAOYSA-N 1 0 319.361 2.767 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343909208 272235292 /nfs/dbraw/zinc/23/52/92/272235292.db2.gz BPVPSAHMKYUMDB-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO CC[C@H](c1cccc(OC)c1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000343957236 272243068 /nfs/dbraw/zinc/24/30/68/272243068.db2.gz DUMOMAUKAPXTNH-OAHLLOKOSA-N 1 0 318.377 2.883 20 5 DFBDRO CC(C)[NH+](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000344186358 272282243 /nfs/dbraw/zinc/28/22/43/272282243.db2.gz FGZCUWBBEUUDAG-UHFFFAOYSA-N 1 0 311.357 2.583 20 5 DFBDRO CC[C@]1(C)CC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000344223522 272290799 /nfs/dbraw/zinc/29/07/99/272290799.db2.gz WANYMQUONUGECW-QGZVFWFLSA-N 1 0 317.389 2.606 20 5 DFBDRO CC[C@]1(C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220414 272291025 /nfs/dbraw/zinc/29/10/25/272291025.db2.gz QOPLNBVJRJCQGD-DOTOQJQBSA-N 1 0 317.389 2.822 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000344244732 272295995 /nfs/dbraw/zinc/29/59/95/272295995.db2.gz KYCXTYFWOKHQRQ-DLBZAZTESA-N 1 0 313.357 2.952 20 5 DFBDRO CC(C)(CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000344265755 272301051 /nfs/dbraw/zinc/30/10/51/272301051.db2.gz XZZAQPCRHXDMJF-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc([N+](=O)[O-])c1 ZINC000344625159 272348946 /nfs/dbraw/zinc/34/89/46/272348946.db2.gz WSXVVRSXYXOURG-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344698408 272357764 /nfs/dbraw/zinc/35/77/64/272357764.db2.gz IXLNOFNQJMNCMN-AWEZNQCLSA-N 1 0 323.368 2.584 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000344698409 272357921 /nfs/dbraw/zinc/35/79/21/272357921.db2.gz IXLNOFNQJMNCMN-CQSZACIVSA-N 1 0 323.368 2.584 20 5 DFBDRO Cn1cc(C[NH2+]CC2(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000344716586 272359972 /nfs/dbraw/zinc/35/99/72/272359972.db2.gz TVGHCEKSZXWNTD-UHFFFAOYSA-N 1 0 300.362 2.885 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000193863729 427721329 /nfs/dbraw/zinc/72/13/29/427721329.db2.gz KNSOGYNAPMHUQC-AWEZNQCLSA-N 1 0 300.362 2.740 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCO[C@H]1CCOC1 ZINC000345045080 272397413 /nfs/dbraw/zinc/39/74/13/272397413.db2.gz STHAQZUQSNKWPE-QXSWTLKVSA-N 1 0 320.389 2.783 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295113653 427696587 /nfs/dbraw/zinc/69/65/87/427696587.db2.gz MBPPZTJBCJZPJX-QGZVFWFLSA-N 1 0 318.348 2.736 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000295144050 427710003 /nfs/dbraw/zinc/71/00/03/427710003.db2.gz ZYNUKLIUBPVYFO-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO CCC[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000185862974 427720313 /nfs/dbraw/zinc/72/03/13/427720313.db2.gz DHGUYBQQJYVWMB-AWEZNQCLSA-N 1 0 305.378 2.848 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(COc2cccc([N+](=O)[O-])c2)n1 ZINC000339393304 427767064 /nfs/dbraw/zinc/76/70/64/427767064.db2.gz FIIATUPYCXHMBR-LBPRGKRZSA-N 1 0 306.322 2.603 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000336866724 427767148 /nfs/dbraw/zinc/76/71/48/427767148.db2.gz NWPSXGSTWMEIDA-GFCCVEGCSA-N 1 0 313.357 2.805 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1NCCC[NH2+]Cc1cccnc1 ZINC000336868557 427767293 /nfs/dbraw/zinc/76/72/93/427767293.db2.gz XIOWZYCISXGFLT-UHFFFAOYSA-N 1 0 304.325 2.721 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000301363336 427791144 /nfs/dbraw/zinc/79/11/44/427791144.db2.gz PSEFFDFZUHDMBS-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301064361 427772835 /nfs/dbraw/zinc/77/28/35/427772835.db2.gz OCNYVNLEAVKHSB-ZDUSSCGKSA-N 1 0 311.357 2.503 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334007515 427725824 /nfs/dbraw/zinc/72/58/24/427725824.db2.gz BQORSUHUZATKQE-OCCSQVGLSA-N 1 0 319.405 2.733 20 5 DFBDRO Cc1sc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000194241795 427735967 /nfs/dbraw/zinc/73/59/67/427735967.db2.gz YCICTNRXPJJGGZ-UHFFFAOYSA-N 1 0 323.418 2.569 20 5 DFBDRO CCOc1cc(N(C)CC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000301553728 427805429 /nfs/dbraw/zinc/80/54/29/427805429.db2.gz WCMBWTXNGONUHH-UHFFFAOYSA-N 1 0 307.394 2.772 20 5 DFBDRO CCOc1cc(N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301556075 427805513 /nfs/dbraw/zinc/80/55/13/427805513.db2.gz WNUBMGUVIGSQCX-CQSZACIVSA-N 1 0 305.378 2.668 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)c(F)c1 ZINC000337279066 427830097 /nfs/dbraw/zinc/83/00/97/427830097.db2.gz GKYUXTMHMUYUFP-NWDGAFQWSA-N 1 0 304.268 2.984 20 5 DFBDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340405868 427840573 /nfs/dbraw/zinc/84/05/73/427840573.db2.gz WDXDBYMCJFZKNK-UONOGXRCSA-N 1 0 308.378 2.863 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302015033 427847228 /nfs/dbraw/zinc/84/72/28/427847228.db2.gz BWEDTTJZNANTJH-ZDUSSCGKSA-N 1 0 319.405 2.540 20 5 DFBDRO COC(=O)COc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000355744848 427872097 /nfs/dbraw/zinc/87/20/97/427872097.db2.gz ZDPKUDGBYCUZNS-VXGBXAGGSA-N 1 0 322.361 2.519 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302870269 427883572 /nfs/dbraw/zinc/88/35/72/427883572.db2.gz BKPUELGPDCZCRX-RISCZKNCSA-N 1 0 304.394 2.703 20 5 DFBDRO O=C(c1ccc2c[nH+]cn2c1)N1CCCc2ccc([N+](=O)[O-])cc21 ZINC000339955798 427886863 /nfs/dbraw/zinc/88/68/63/427886863.db2.gz QTIAIFJSYBJRSF-UHFFFAOYSA-N 1 0 322.324 2.836 20 5 DFBDRO CC1=C[C@H](C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337464710 427917929 /nfs/dbraw/zinc/91/79/29/427917929.db2.gz MCWAOIITAYFTQH-LBPRGKRZSA-N 1 0 303.362 2.821 20 5 DFBDRO CCOc1cc(N2CC[NH+]([C@@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000337460729 427918957 /nfs/dbraw/zinc/91/89/57/427918957.db2.gz KAAPMFGBBNCBOU-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000337478234 427924252 /nfs/dbraw/zinc/92/42/52/427924252.db2.gz UDXZLFMDNPJXJL-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@@H]2C1 ZINC000413226092 427995859 /nfs/dbraw/zinc/99/58/59/427995859.db2.gz CWFWVCCYLWAMST-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413224417 427995929 /nfs/dbraw/zinc/99/59/29/427995929.db2.gz FPIZDRIYFSQKEU-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](CC3CCCC3)C2)c(F)c1 ZINC000413180585 427982566 /nfs/dbraw/zinc/98/25/66/427982566.db2.gz ZZMHEGVCROXKED-LBPRGKRZSA-N 1 0 308.357 2.805 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1[NH+](C)C ZINC000413191754 427986027 /nfs/dbraw/zinc/98/60/27/427986027.db2.gz ZDHBLRXCYNMJAV-XHDPSFHLSA-N 1 0 300.362 2.529 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000369513540 427986149 /nfs/dbraw/zinc/98/61/49/427986149.db2.gz ZNIYHKACBDZCLI-UHFFFAOYSA-N 1 0 321.421 2.637 20 5 DFBDRO Cc1nc2c(c(NCCc3cccc([N+](=O)[O-])c3)n1)CCCC2 ZINC000359726401 427991113 /nfs/dbraw/zinc/99/11/13/427991113.db2.gz IKXFKEIFAVHGEZ-UHFFFAOYSA-N 1 0 312.373 3.227 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1OCCO)c1cccc([N+](=O)[O-])c1 ZINC000304431248 427935715 /nfs/dbraw/zinc/93/57/15/427935715.db2.gz AIWVHOMFNGNBSM-ZDUSSCGKSA-N 1 0 316.357 2.817 20 5 DFBDRO Cc1cccc(NC[C@H]2CCN(c3ccncc3[N+](=O)[O-])C2)[nH+]1 ZINC000340148146 427938557 /nfs/dbraw/zinc/93/85/57/427938557.db2.gz JFEHKNOFLPGCFP-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000355896190 427940337 /nfs/dbraw/zinc/94/03/37/427940337.db2.gz MCPMXBAIJDYFNC-GFCCVEGCSA-N 1 0 307.350 2.503 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000345905197 427945510 /nfs/dbraw/zinc/94/55/10/427945510.db2.gz LTMOSTWKRADPKA-OLZOCXBDSA-N 1 0 319.405 2.712 20 5 DFBDRO C[N@H+](CCCCNc1c2ccccc2ncc1[N+](=O)[O-])C1CC1 ZINC000413349186 428026755 /nfs/dbraw/zinc/02/67/55/428026755.db2.gz QYRUBROVDWTARL-UHFFFAOYSA-N 1 0 314.389 2.851 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CCNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000413433010 428049156 /nfs/dbraw/zinc/04/91/56/428049156.db2.gz CWRFQZILWNDGFI-ZDUSSCGKSA-N 1 0 314.389 2.709 20 5 DFBDRO C[N@@H+]1CCC[C@H](CCNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000413443117 428051239 /nfs/dbraw/zinc/05/12/39/428051239.db2.gz RCWQDUQDJWGXHN-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000341132211 428000277 /nfs/dbraw/zinc/00/02/77/428000277.db2.gz VBAIFDOCNJDUSI-GHMZBOCLSA-N 1 0 323.422 2.979 20 5 DFBDRO Cc1ncc([N+](=O)[O-])cc1-c1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000351071131 428008136 /nfs/dbraw/zinc/00/81/36/428008136.db2.gz CWHLFGXSANZWKN-UHFFFAOYSA-N 1 0 322.284 2.663 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000341466476 428077114 /nfs/dbraw/zinc/07/71/14/428077114.db2.gz QZXOKWLCFFUAJA-DABQJJPHSA-N 1 0 308.378 2.897 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369967968 428099123 /nfs/dbraw/zinc/09/91/23/428099123.db2.gz VHKXHBMKFWWMQG-KBPBESRZSA-N 1 0 305.378 2.780 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369967969 428099383 /nfs/dbraw/zinc/09/93/83/428099383.db2.gz VHKXHBMKFWWMQG-KGLIPLIRSA-N 1 0 305.378 2.780 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])C[C@@H]21 ZINC000370049963 428120233 /nfs/dbraw/zinc/12/02/33/428120233.db2.gz MAFREXZLHCKZNH-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO C[C@H]1C[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000352356636 428132275 /nfs/dbraw/zinc/13/22/75/428132275.db2.gz MWSUNEVTVGBGNJ-AAEUAGOBSA-N 1 0 312.373 3.180 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358227 428135469 /nfs/dbraw/zinc/13/54/69/428135469.db2.gz XBBOGBAEXUUXLF-UONOGXRCSA-N 1 0 314.389 3.428 20 5 DFBDRO C[N@H+](CCC(=O)NC1CCCC1)CCc1ccccc1[N+](=O)[O-] ZINC000352539365 428142739 /nfs/dbraw/zinc/14/27/39/428142739.db2.gz XXSLSAGEMCNZKD-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377440449 428129419 /nfs/dbraw/zinc/12/94/19/428129419.db2.gz VBLLVTBJHMGQCY-HNNXBMFYSA-N 1 0 318.377 2.687 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]CCn2cncn2)c2ccccc2)c1 ZINC000352567351 428151135 /nfs/dbraw/zinc/15/11/35/428151135.db2.gz JKJROUSTZQMLDS-QGZVFWFLSA-N 1 0 323.356 2.566 20 5 DFBDRO CN(C)c1ccc(CNc2ncc([N+](=O)[O-])cc2Cl)cn1 ZINC000346399768 428155173 /nfs/dbraw/zinc/15/51/73/428155173.db2.gz FCXFDWBIUBUPIY-UHFFFAOYSA-N 1 0 307.741 2.716 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352609089 428167643 /nfs/dbraw/zinc/16/76/43/428167643.db2.gz RBADAKYQEBXRSZ-AWEZNQCLSA-N 1 0 321.396 2.898 20 5 DFBDRO Cc1ccnc(N2CCC[C@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000377749497 428217037 /nfs/dbraw/zinc/21/70/37/428217037.db2.gz ZUZWOBRKBMUBIN-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO CCn1ccc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000414206630 428235135 /nfs/dbraw/zinc/23/51/35/428235135.db2.gz JESOQQMFQRITSE-CYBMUJFWSA-N 1 0 302.378 2.922 20 5 DFBDRO Cc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000360171749 428190180 /nfs/dbraw/zinc/19/01/80/428190180.db2.gz UCDWWACLARFUCW-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000377963211 428270839 /nfs/dbraw/zinc/27/08/39/428270839.db2.gz OFGNBAGRVUUALT-GFCCVEGCSA-N 1 0 306.391 2.998 20 5 DFBDRO Cc1cc(NC(=O)NCC[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000352882921 428296063 /nfs/dbraw/zinc/29/60/63/428296063.db2.gz LNRLZABNHIJIRJ-UHFFFAOYSA-N 1 0 318.377 2.677 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000352776518 428242060 /nfs/dbraw/zinc/24/20/60/428242060.db2.gz CRSFCIKTAQIXHV-CABCVRRESA-N 1 0 320.389 2.852 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352775999 428243865 /nfs/dbraw/zinc/24/38/65/428243865.db2.gz AMHSRLXSPVWCRR-GJZGRUSLSA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H](O)C(F)F)c2ccccc2)c1 ZINC000352782397 428245143 /nfs/dbraw/zinc/24/51/43/428245143.db2.gz HPMNFRJWRMTUHG-CABCVRRESA-N 1 0 322.311 2.900 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC([NH+]2CCCC2)CC1 ZINC000370588617 428247161 /nfs/dbraw/zinc/24/71/61/428247161.db2.gz LOQYHVVIENQMDW-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H](CO)C2)ccc1[N+](=O)[O-] ZINC000370621370 428253286 /nfs/dbraw/zinc/25/32/86/428253286.db2.gz DKNWAIULLQMACO-AWEZNQCLSA-N 1 0 308.378 2.588 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000274723737 273601215 /nfs/dbraw/zinc/60/12/15/273601215.db2.gz AQRGPTSWLSSIKY-SNVBAGLBSA-N 1 0 309.366 2.709 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1CCCC2 ZINC000342149067 428322309 /nfs/dbraw/zinc/32/23/09/428322309.db2.gz HRGDICAJMWPYFN-RHSMWYFYSA-N 1 0 318.373 2.760 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)cc1[N+](=O)[O-] ZINC000414500473 428322743 /nfs/dbraw/zinc/32/27/43/428322743.db2.gz QHRIGBJCUSUKMM-CQSZACIVSA-N 1 0 319.405 2.628 20 5 DFBDRO CC[N@@H+]1CCc2c(cccc2NC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000378173574 428326569 /nfs/dbraw/zinc/32/65/69/428326569.db2.gz FYXQHTUYJXHRFK-UHFFFAOYSA-N 1 0 315.329 2.818 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c([N+](=O)[O-])cc1OC ZINC000414523638 428327274 /nfs/dbraw/zinc/32/72/74/428327274.db2.gz YPMCBOGWBMWBOJ-UTUOFQBUSA-N 1 0 324.377 2.515 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000414517886 428327920 /nfs/dbraw/zinc/32/79/20/428327920.db2.gz AEXGOLKFFNHBFR-AWEZNQCLSA-N 1 0 304.321 2.600 20 5 DFBDRO Cc1c(CNC(=O)C2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000360515485 428328827 /nfs/dbraw/zinc/32/88/27/428328827.db2.gz PFWVMFSOIDQZFZ-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000378194091 428330946 /nfs/dbraw/zinc/33/09/46/428330946.db2.gz WTSBZYSFAVDIPZ-YHWZYXNKSA-N 1 0 323.780 2.733 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000342176771 428335763 /nfs/dbraw/zinc/33/57/63/428335763.db2.gz QPQMSWQYPVEVNW-KRWDZBQOSA-N 1 0 300.358 2.596 20 5 DFBDRO CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@H](C[NH3+])C1 ZINC000346860371 428349220 /nfs/dbraw/zinc/34/92/20/428349220.db2.gz UOFYNTAOWKUVEQ-GJZGRUSLSA-N 1 0 321.421 2.656 20 5 DFBDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000353119254 428391528 /nfs/dbraw/zinc/39/15/28/428391528.db2.gz NVKYGBINVHLDMS-JOCHJYFZSA-N 1 0 318.398 2.763 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765947 428398701 /nfs/dbraw/zinc/39/87/01/428398701.db2.gz GSABIACGGYCOMN-SMDDNHRTSA-N 1 0 301.346 2.776 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@H](CO)C1 ZINC000342239818 428365058 /nfs/dbraw/zinc/36/50/58/428365058.db2.gz GOQMMXGGLVEJTB-KGLIPLIRSA-N 1 0 322.405 2.882 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000342239819 428366297 /nfs/dbraw/zinc/36/62/97/428366297.db2.gz GOQMMXGGLVEJTB-UONOGXRCSA-N 1 0 322.405 2.882 20 5 DFBDRO Cc1c(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000414692642 428379527 /nfs/dbraw/zinc/37/95/27/428379527.db2.gz CZCBPWGSLRUBMF-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CC[C@@H](F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342288078 428385935 /nfs/dbraw/zinc/38/59/35/428385935.db2.gz LFCRSFJOKKTEHB-ZIAGYGMSSA-N 1 0 318.352 2.976 20 5 DFBDRO [NH3+][C@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414889193 428446340 /nfs/dbraw/zinc/44/63/40/428446340.db2.gz GAIGGDQRFVFXJE-OAHLLOKOSA-N 1 0 301.346 2.682 20 5 DFBDRO [NH3+][C@H](CNCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414886172 428447671 /nfs/dbraw/zinc/44/76/71/428447671.db2.gz CKCMIVYRINEFJU-CQSZACIVSA-N 1 0 301.346 2.682 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925424 428459265 /nfs/dbraw/zinc/45/92/65/428459265.db2.gz JPHAQEAIOUWESG-DOMZBBRYSA-N 1 0 315.373 2.942 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928663 428459788 /nfs/dbraw/zinc/45/97/88/428459788.db2.gz NDLCKENXFDQNLG-WBMJQRKESA-N 1 0 315.373 2.942 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000278379465 273807746 /nfs/dbraw/zinc/80/77/46/273807746.db2.gz LNDRBDWGXKXKQP-VXGBXAGGSA-N 1 0 304.394 2.848 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000134788484 273817511 /nfs/dbraw/zinc/81/75/11/273817511.db2.gz DKLFSUVZUQOXJW-AWEZNQCLSA-N 1 0 312.373 2.797 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000360915147 428489634 /nfs/dbraw/zinc/48/96/34/428489634.db2.gz VMRFWDHHPHPSCT-CQSZACIVSA-N 1 0 321.425 2.574 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342923198 428490148 /nfs/dbraw/zinc/49/01/48/428490148.db2.gz DUTLXLUZCNNEON-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO Cc1ccc(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415039516 428495932 /nfs/dbraw/zinc/49/59/32/428495932.db2.gz JAMCLUGNCKPPTP-HOTGVXAUSA-N 1 0 303.406 2.867 20 5 DFBDRO CCC[NH+]1CCC(CNc2c([N+](=O)[O-])nc(C)n2CC)CC1 ZINC000360952951 428506881 /nfs/dbraw/zinc/50/68/81/428506881.db2.gz GKRQJDSIEVXZIY-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC1CC[NH+](C(C)(C)C)CC1 ZINC000360954856 428509211 /nfs/dbraw/zinc/50/92/11/428509211.db2.gz UVIFCMDAOCEBPH-UHFFFAOYSA-N 1 0 309.414 2.794 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000360961107 428511911 /nfs/dbraw/zinc/51/19/11/428511911.db2.gz ORQJSUFEUKSLQO-FRRDWIJNSA-N 1 0 323.441 2.898 20 5 DFBDRO O=C(NCCC[NH+]1CCCCC1)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000347264176 428520462 /nfs/dbraw/zinc/52/04/62/428520462.db2.gz OGKBEWXSWZFHLY-UHFFFAOYSA-N 1 0 324.356 2.731 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000347284330 428528216 /nfs/dbraw/zinc/52/82/16/428528216.db2.gz YQJHWCATRYUKOT-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CCCCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000372590559 428471852 /nfs/dbraw/zinc/47/18/52/428471852.db2.gz RHSOAYLURCYWIH-UKRRQHHQSA-N 1 0 317.389 2.848 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH2+]C1CCCCC1 ZINC000360881197 428476004 /nfs/dbraw/zinc/47/60/04/428476004.db2.gz NHKKSPPWCNGDMG-UHFFFAOYSA-N 1 0 309.414 2.844 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](CC1CC1)C1CCC1 ZINC000361571622 428580699 /nfs/dbraw/zinc/58/06/99/428580699.db2.gz NFICECGRFNALCW-HNNXBMFYSA-N 1 0 320.389 2.599 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000407987381 428587775 /nfs/dbraw/zinc/58/77/75/428587775.db2.gz PHXKTHIGPWOMCN-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000398932479 428533388 /nfs/dbraw/zinc/53/33/88/428533388.db2.gz TUNWVTFSSVUUBZ-QJPTWQEYSA-N 1 0 310.781 2.841 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000343249907 428541110 /nfs/dbraw/zinc/54/11/10/428541110.db2.gz FISWEDKBPMPRHG-UWVGGRQHSA-N 1 0 310.379 3.186 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000343539587 428558251 /nfs/dbraw/zinc/55/82/51/428558251.db2.gz FCZKMUSTYOSGCA-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@](C)(F)C1 ZINC000347354077 428562333 /nfs/dbraw/zinc/56/23/33/428562333.db2.gz POSKDHYRKZFJDO-HNNXBMFYSA-N 1 0 309.341 2.666 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](C2CCC2)CC1 ZINC000353497107 428563487 /nfs/dbraw/zinc/56/34/87/428563487.db2.gz BVWCFMLKPDIBND-XQRVVYSFSA-N 1 0 301.390 2.778 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000408052334 428596252 /nfs/dbraw/zinc/59/62/52/428596252.db2.gz UDYDATSBWBKKCH-XQQFMLRXSA-N 1 0 321.377 2.665 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 ZINC000408063600 428596418 /nfs/dbraw/zinc/59/64/18/428596418.db2.gz WBTBGIZJMODRIL-NFAWXSAZSA-N 1 0 304.394 2.831 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415582420 428598474 /nfs/dbraw/zinc/59/84/74/428598474.db2.gz OXBQCMDVSRWKNT-GFCCVEGCSA-N 1 0 308.382 2.851 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000415629801 428606233 /nfs/dbraw/zinc/60/62/33/428606233.db2.gz JCBGJERIZYGKIP-XYPYZODXSA-N 1 0 324.356 2.621 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000373562851 428606781 /nfs/dbraw/zinc/60/67/81/428606781.db2.gz SEVSCHWWMOLMRW-ZBFHGGJFSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000408243262 428626917 /nfs/dbraw/zinc/62/69/17/428626917.db2.gz FJSUDOMLQXNLSV-CHWSQXEVSA-N 1 0 320.393 2.768 20 5 DFBDRO COCC[C@@H](COC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000353648977 274039318 /nfs/dbraw/zinc/03/93/18/274039318.db2.gz MTYUHZOCOHEZRN-LRDDRELGSA-N 1 0 322.405 2.958 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000408306354 428638404 /nfs/dbraw/zinc/63/84/04/428638404.db2.gz CORNUJDWGSRSKJ-QWHCGFSZSA-N 1 0 320.393 2.768 20 5 DFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284273467 274062514 /nfs/dbraw/zinc/06/25/14/274062514.db2.gz XOOIDHMKOKGBMU-TZMCWYRMSA-N 1 0 309.322 2.550 20 5 DFBDRO CO[C@H]1C[C@@H](CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)[N@H+](C)C1 ZINC000284976839 274083005 /nfs/dbraw/zinc/08/30/05/274083005.db2.gz XOBZXTHJVBXDHN-BPUTZDHNSA-N 1 0 321.421 2.615 20 5 DFBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000358741165 428650919 /nfs/dbraw/zinc/65/09/19/428650919.db2.gz DMFPUAAEQYENIT-AWEZNQCLSA-N 1 0 300.362 2.538 20 5 DFBDRO CC(C)=CCN[C@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353683900 428657360 /nfs/dbraw/zinc/65/73/60/428657360.db2.gz GKNDXSBNNBSIQO-HNNXBMFYSA-N 1 0 300.362 2.974 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC2(C[NH+](C)C)CCC2)c1 ZINC000281062357 274188712 /nfs/dbraw/zinc/18/87/12/274188712.db2.gz LNDWQZMWFYZVPT-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408464913 428666731 /nfs/dbraw/zinc/66/67/31/428666731.db2.gz GCEQZHRYHXSQIC-FRRDWIJNSA-N 1 0 322.384 2.971 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000408434882 428659538 /nfs/dbraw/zinc/65/95/38/428659538.db2.gz JJKNMZMIWQEBAQ-OLZOCXBDSA-N 1 0 314.389 2.980 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000358417769 274284869 /nfs/dbraw/zinc/28/48/69/274284869.db2.gz YZUGKSHEMCMNFD-CYBMUJFWSA-N 1 0 317.389 2.748 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000408434814 428660551 /nfs/dbraw/zinc/66/05/51/428660551.db2.gz IRQLRXCBSCMPKV-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264950726 274375342 /nfs/dbraw/zinc/37/53/42/274375342.db2.gz LBKNFKFJOIIASF-OLZOCXBDSA-N 1 0 312.373 2.816 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000086471384 274378208 /nfs/dbraw/zinc/37/82/08/274378208.db2.gz JJCUANDXEQEUKM-DTWKUNHWSA-N 1 0 303.284 2.800 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286465852 274387193 /nfs/dbraw/zinc/38/71/93/274387193.db2.gz VKGOPSGBGHTEER-DGCLKSJQSA-N 1 0 315.377 2.534 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C(N)=O)CCCC1 ZINC000344895068 428719278 /nfs/dbraw/zinc/71/92/78/428719278.db2.gz ZCAKCSDRPACRMZ-LCYFTJDESA-N 1 0 317.389 2.633 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000344628364 428683183 /nfs/dbraw/zinc/68/31/83/428683183.db2.gz ZVYPXURXHKXAPP-CQSZACIVSA-N 1 0 323.368 2.584 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@H](C)c1cn[nH]c1 ZINC000358814087 428688428 /nfs/dbraw/zinc/68/84/28/428688428.db2.gz TXASMVYRLNSKKI-LLVKDONJSA-N 1 0 304.350 2.956 20 5 DFBDRO COCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000411173053 428752367 /nfs/dbraw/zinc/75/23/67/428752367.db2.gz KSTOWRQHCVEUJF-UHFFFAOYSA-N 1 0 323.393 2.528 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284023 428770057 /nfs/dbraw/zinc/77/00/57/428770057.db2.gz MHNMLAYKGSLKIL-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000359033267 428781461 /nfs/dbraw/zinc/78/14/61/428781461.db2.gz HQAAJPFFXZVGOG-ZFWWWQNUSA-N 1 0 319.405 2.812 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000353938732 428787295 /nfs/dbraw/zinc/78/72/95/428787295.db2.gz YSQDZDHJQLXZJR-UHFFFAOYSA-N 1 0 320.393 2.621 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)c1 ZINC000374768399 428748107 /nfs/dbraw/zinc/74/81/07/428748107.db2.gz RPCMZUHRYGXACK-FDMDGMSGSA-N 1 0 312.373 2.969 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375293751 428845640 /nfs/dbraw/zinc/84/56/40/428845640.db2.gz SNNLAIQMRABZLB-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO C[C@@H](c1ccccc1)N(CC(N)=O)Cc1cccc([N+](=O)[O-])c1 ZINC000353976819 428800006 /nfs/dbraw/zinc/80/00/06/428800006.db2.gz YROWBXBHWPGAMU-ZDUSSCGKSA-N 1 0 313.357 2.643 20 5 DFBDRO COC[C@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000375112715 428801761 /nfs/dbraw/zinc/80/17/61/428801761.db2.gz WMYGGPMYQCWGKC-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO CNC(=O)[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000362964698 428825661 /nfs/dbraw/zinc/82/56/61/428825661.db2.gz WNHBMSYHVQWKNP-OAHLLOKOSA-N 1 0 307.394 2.578 20 5 DFBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023505 428827519 /nfs/dbraw/zinc/82/75/19/428827519.db2.gz CTPMCMRWGQAOLT-KBPBESRZSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCNC(=O)[C@H]1CC(C)C ZINC000354053124 428840813 /nfs/dbraw/zinc/84/08/13/428840813.db2.gz KCAFVIPJBHEZJO-MRXNPFEDSA-N 1 0 319.405 2.640 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@H]1CC1(C)C ZINC000411686857 428841452 /nfs/dbraw/zinc/84/14/52/428841452.db2.gz LLWAUBQOORYTQL-AWEZNQCLSA-N 1 0 321.377 2.662 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCCOC3)ccc1[N+](=O)[O-] ZINC000375282043 428843918 /nfs/dbraw/zinc/84/39/18/428843918.db2.gz XPVBAVBMDDLSAI-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363171767 428873500 /nfs/dbraw/zinc/87/35/00/428873500.db2.gz CFWNFUHUOJEGQI-TZMCWYRMSA-N 1 0 300.362 2.706 20 5 DFBDRO [NH3+]CCN(Cc1scnc1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000348926858 428878026 /nfs/dbraw/zinc/87/80/26/428878026.db2.gz YSZKAJXWMTYFRI-UHFFFAOYSA-N 1 0 318.402 2.894 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348928421 428878230 /nfs/dbraw/zinc/87/82/30/428878230.db2.gz QMRHYBGVGHWKLY-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@H](n3cccn3)C2)cccc1[N+](=O)[O-] ZINC000363199165 428879754 /nfs/dbraw/zinc/87/97/54/428879754.db2.gz PBVNIFRAYBUJMD-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000363211091 428882390 /nfs/dbraw/zinc/88/23/90/428882390.db2.gz BVSDHOKADMXAEG-UONOGXRCSA-N 1 0 312.373 3.182 20 5 DFBDRO Cc1nnc([C@@H]2CC[N@@H+]([C@@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412033789 428915884 /nfs/dbraw/zinc/91/58/84/428915884.db2.gz SJQAOJVBRIPXAW-GXFFZTMASA-N 1 0 301.350 2.572 20 5 DFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000412035019 428918019 /nfs/dbraw/zinc/91/80/19/428918019.db2.gz KHQMSKAMDXZWDN-UHFFFAOYSA-N 1 0 305.378 2.704 20 5 DFBDRO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048279 428923115 /nfs/dbraw/zinc/92/31/15/428923115.db2.gz WLCIVIPAVSGILM-ZYHUDNBSSA-N 1 0 301.350 2.572 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224674 428925848 /nfs/dbraw/zinc/92/58/48/428925848.db2.gz ONELPOLZXUBGQD-LSDHHAIUSA-N 1 0 321.421 2.778 20 5 DFBDRO Cc1nc(NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)ccc1[N+](=O)[O-] ZINC000420206725 428948334 /nfs/dbraw/zinc/94/83/34/428948334.db2.gz FCNVHMICVBWBHD-OAHLLOKOSA-N 1 0 314.389 3.534 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000412109715 428958372 /nfs/dbraw/zinc/95/83/72/428958372.db2.gz UOJWCDVYSNUZAA-BLLLJJGKSA-N 1 0 306.362 2.931 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375778094 428967964 /nfs/dbraw/zinc/96/79/64/428967964.db2.gz RRQVKJJWVXVBTR-LBPRGKRZSA-N 1 0 318.352 2.847 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000451807723 428984254 /nfs/dbraw/zinc/98/42/54/428984254.db2.gz IBRZXZQAUJMKRP-CYBMUJFWSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000423671122 428992478 /nfs/dbraw/zinc/99/24/78/428992478.db2.gz VVVIJKVUQAALPP-GXTWGEPZSA-N 1 0 319.405 2.918 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000423754645 429009822 /nfs/dbraw/zinc/00/98/22/429009822.db2.gz ZYHWYLVNFCIMBF-MNOVXSKESA-N 1 0 323.418 2.564 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000421699871 429012661 /nfs/dbraw/zinc/01/26/61/429012661.db2.gz CIMWJGXNGRYMKF-ZDUSSCGKSA-N 1 0 317.345 2.507 20 5 DFBDRO COc1ccc(NC(=O)C[N@@H+]2[C@H](C)CCC2(C)C)c([N+](=O)[O-])c1 ZINC000452005182 429038489 /nfs/dbraw/zinc/03/84/89/429038489.db2.gz JDEMPPCQAQJTKF-LLVKDONJSA-N 1 0 321.377 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000452016886 429039973 /nfs/dbraw/zinc/03/99/73/429039973.db2.gz WQUBOJGLSJFZIW-NSHDSACASA-N 1 0 321.377 2.805 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000452019703 429040540 /nfs/dbraw/zinc/04/05/40/429040540.db2.gz YYTANZWOJQUMPX-LBPRGKRZSA-N 1 0 317.389 2.747 20 5 DFBDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452069378 429046388 /nfs/dbraw/zinc/04/63/88/429046388.db2.gz DXLXICPDRIDOJH-LBPRGKRZSA-N 1 0 319.405 2.952 20 5 DFBDRO CSc1ccc(C(=O)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423935349 429059649 /nfs/dbraw/zinc/05/96/49/429059649.db2.gz ADOGTQDFQCQEIG-GFCCVEGCSA-N 1 0 323.418 2.564 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423954482 429063808 /nfs/dbraw/zinc/06/38/08/429063808.db2.gz NEPADNCVYAAHAY-CQSZACIVSA-N 1 0 321.421 2.996 20 5 DFBDRO Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423967637 429066093 /nfs/dbraw/zinc/06/60/93/429066093.db2.gz SYVWTJSKFNFFKT-CABCVRRESA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1[N+](=O)[O-] ZINC000376160771 429068229 /nfs/dbraw/zinc/06/82/29/429068229.db2.gz DVXSJUVPZIGHLY-DDHJSBNISA-N 1 0 317.389 2.563 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000423993453 429073316 /nfs/dbraw/zinc/07/33/16/429073316.db2.gz HODOHZUQQHGEAO-HZMBPMFUSA-N 1 0 319.405 2.577 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+]C[C@@H]2C)cc1[N+](=O)[O-] ZINC000423383787 429079629 /nfs/dbraw/zinc/07/96/29/429079629.db2.gz FGCVLLZVHGDHBX-OBJOEFQTSA-N 1 0 307.394 2.642 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC[C@H]1[NH2+]CCCC1(C)C ZINC000423398976 429081814 /nfs/dbraw/zinc/08/18/14/429081814.db2.gz VRVSGAXZLQAZMO-XJKSGUPXSA-N 1 0 305.422 2.894 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000424059337 429083896 /nfs/dbraw/zinc/08/38/96/429083896.db2.gz VVQWAXQVPCHGEL-UHFFFAOYSA-N 1 0 317.389 2.686 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2ncc([N+](=O)[O-])cc2F)ccc1F ZINC000413133093 429144778 /nfs/dbraw/zinc/14/47/78/429144778.db2.gz CFAWUMFHDAYYTF-UHFFFAOYSA-N 1 0 322.315 2.942 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413140687 429146768 /nfs/dbraw/zinc/14/67/68/429146768.db2.gz ORJHSHVWKJFTNP-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413140268 429146816 /nfs/dbraw/zinc/14/68/16/429146816.db2.gz RVJNQPZXFHDJJY-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](OCC3CC3)C2)cc1 ZINC000494705414 429148396 /nfs/dbraw/zinc/14/83/96/429148396.db2.gz ZDMYDFKCUZOEQS-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000423519263 429105831 /nfs/dbraw/zinc/10/58/31/429105831.db2.gz DCQFCPWDLUGKOC-AEGPPILISA-N 1 0 317.389 2.528 20 5 DFBDRO CCO[C@H]1C[C@@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(CC)CC ZINC000434982003 429116761 /nfs/dbraw/zinc/11/67/61/429116761.db2.gz JGFTYUFGRWBSDN-CABCVRRESA-N 1 0 324.425 2.707 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000261902586 274957445 /nfs/dbraw/zinc/95/74/45/274957445.db2.gz PBAAVYNQFSLLPE-MRVWCRGKSA-N 1 0 312.373 2.707 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1 ZINC000413053206 429128343 /nfs/dbraw/zinc/12/83/43/429128343.db2.gz ZYYUDSAHNMBYMM-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413085119 429135999 /nfs/dbraw/zinc/13/59/99/429135999.db2.gz OZZFGHAMZIVEQE-MRVPVSSYSA-N 1 0 304.272 2.515 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000494658805 429135990 /nfs/dbraw/zinc/13/59/90/429135990.db2.gz ZOCIWQFIWLHABI-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413110316 429140527 /nfs/dbraw/zinc/14/05/27/429140527.db2.gz OJERPINSBSBRIG-UHFFFAOYSA-N 1 0 318.299 2.905 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487194354 429141168 /nfs/dbraw/zinc/14/11/68/429141168.db2.gz AKHVOXWXGJFOTN-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c([N+](=O)[O-])cc1F ZINC000364071375 429165792 /nfs/dbraw/zinc/16/57/92/429165792.db2.gz YWVMQDIALZWOHZ-NWDGAFQWSA-N 1 0 324.352 2.601 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])o1)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000377256440 275012747 /nfs/dbraw/zinc/01/27/47/275012747.db2.gz KZQSPOWOUKQMMF-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(F)c1 ZINC000301808242 275033783 /nfs/dbraw/zinc/03/37/83/275033783.db2.gz WWLFLKXTGHCQIB-WBIUFABUSA-N 1 0 323.343 2.794 20 5 DFBDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C[C@@H](C)C1 ZINC000488746587 429195954 /nfs/dbraw/zinc/19/59/54/429195954.db2.gz NKYYYPVJVBENQF-MJVIPROJSA-N 1 0 324.812 2.810 20 5 DFBDRO C[C@H]1CC[C@](CO)([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258690 429192796 /nfs/dbraw/zinc/19/27/96/429192796.db2.gz DSKXHCPUNOEFPF-YOEHRIQHSA-N 1 0 322.405 2.847 20 5 DFBDRO CC(C)CCO[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000436273766 429194383 /nfs/dbraw/zinc/19/43/83/429194383.db2.gz UZZDVBLWGCRBFT-HUUCEWRRSA-N 1 0 324.425 2.755 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1[N+](=O)[O-] ZINC000364514855 429217895 /nfs/dbraw/zinc/21/78/95/429217895.db2.gz ZNYAVXISPCLGBU-AWEZNQCLSA-N 1 0 315.377 2.757 20 5 DFBDRO Cc1noc(C2(C)CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000364700559 429250941 /nfs/dbraw/zinc/25/09/41/429250941.db2.gz YKMSYVVNZYWBQM-UHFFFAOYSA-N 1 0 316.361 2.840 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C)CC1 ZINC000456187273 429254277 /nfs/dbraw/zinc/25/42/77/429254277.db2.gz MNGOMBXRWDYZEW-UHFFFAOYSA-N 1 0 320.393 2.695 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425270583 429255159 /nfs/dbraw/zinc/25/51/59/429255159.db2.gz AKHRNXFCKSWUGM-DOTOQJQBSA-N 1 0 324.384 2.701 20 5 DFBDRO CC[C@@]1(O)CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000490057828 429277087 /nfs/dbraw/zinc/27/70/87/429277087.db2.gz UDLPDYCVRFKDSD-MRXNPFEDSA-N 1 0 301.346 2.803 20 5 DFBDRO CCOC(=O)N(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000491110732 429324592 /nfs/dbraw/zinc/32/45/92/429324592.db2.gz AHMFYCNBWJUXAV-UHFFFAOYSA-N 1 0 321.377 2.648 20 5 DFBDRO C[C@@H](c1cccnc1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365516426 429333584 /nfs/dbraw/zinc/33/35/84/429333584.db2.gz RBYLTBYWVKRGBQ-LBPRGKRZSA-N 1 0 301.350 2.584 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000449124000 429338262 /nfs/dbraw/zinc/33/82/62/429338262.db2.gz FCRJYGHRGSPQTM-WMLDXEAASA-N 1 0 314.385 2.719 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccccc1 ZINC000449138207 429341699 /nfs/dbraw/zinc/34/16/99/429341699.db2.gz BDPPXQDBQMFJAA-CJNGLKHVSA-N 1 0 300.358 2.849 20 5 DFBDRO Cc1ncccc1O[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365263133 429291467 /nfs/dbraw/zinc/29/14/67/429291467.db2.gz UOHRTAZMDREHHI-HNNXBMFYSA-N 1 0 313.357 2.952 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426454025 429393111 /nfs/dbraw/zinc/39/31/11/429393111.db2.gz LOKZKVTUDHWHSO-OLZOCXBDSA-N 1 0 303.362 2.716 20 5 DFBDRO C[C@@H](Cc1coc2ccccc12)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000449194113 429354265 /nfs/dbraw/zinc/35/42/65/429354265.db2.gz OHRQOOIBKXXXQN-LBPRGKRZSA-N 1 0 314.345 2.758 20 5 DFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635346 429355900 /nfs/dbraw/zinc/35/59/00/429355900.db2.gz ZQICEIXFNUQMTQ-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638884 429357457 /nfs/dbraw/zinc/35/74/57/429357457.db2.gz OGGDFPGSWCBNMT-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO CCc1nnc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000449211069 429357793 /nfs/dbraw/zinc/35/77/93/429357793.db2.gz WWWSREZFQQTHDW-GHMZBOCLSA-N 1 0 303.366 2.557 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccco1 ZINC000449252872 429366912 /nfs/dbraw/zinc/36/69/12/429366912.db2.gz UCAIYJAWWCZJKF-GXTWGEPZSA-N 1 0 304.346 2.832 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](C)c2cnn(C)c2C)ccc1[N+](=O)[O-] ZINC000491605740 429378015 /nfs/dbraw/zinc/37/80/15/429378015.db2.gz YPIYQWFWYVJHEJ-NSHDSACASA-N 1 0 318.377 2.886 20 5 DFBDRO CC(C)(NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000449307695 429383205 /nfs/dbraw/zinc/38/32/05/429383205.db2.gz QVLJKKHJKXFICP-WFASDCNBSA-N 1 0 319.405 2.854 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)c(F)c1 ZINC000449513242 429440000 /nfs/dbraw/zinc/44/00/00/429440000.db2.gz VPMKKAHODXAKEG-GDBMZVCRSA-N 1 0 308.353 2.621 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(C[NH3+])CC1 ZINC000457368847 429451977 /nfs/dbraw/zinc/45/19/77/429451977.db2.gz LWPOODREXNZEJC-UHFFFAOYSA-N 1 0 323.418 2.518 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](CNC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000449646398 429468119 /nfs/dbraw/zinc/46/81/19/429468119.db2.gz NSBQKDZEZVYYNQ-JQWIXIFHSA-N 1 0 317.345 2.588 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC000518212787 429413619 /nfs/dbraw/zinc/41/36/19/429413619.db2.gz PSRZPOZOUFEQCQ-OAHLLOKOSA-N 1 0 313.357 2.988 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000449423841 429414905 /nfs/dbraw/zinc/41/49/05/429414905.db2.gz OSXYDFXTWGPNMU-XHVZSJERSA-N 1 0 302.321 2.520 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449455244 429421680 /nfs/dbraw/zinc/42/16/80/429421680.db2.gz BXOSSQVZDSMILD-SIAJKBFNSA-N 1 0 320.389 2.639 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457200691 429425582 /nfs/dbraw/zinc/42/55/82/429425582.db2.gz LTAAVOOHMXQXQK-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO [NH3+]C[C@@H]1c2ccccc2CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000520812822 429528958 /nfs/dbraw/zinc/52/89/58/429528958.db2.gz FWVIVOWNYPPGSX-CQSZACIVSA-N 1 0 318.764 2.706 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449740083 429493461 /nfs/dbraw/zinc/49/34/61/429493461.db2.gz DSXFKKBUGGQTCN-FFSVYQOJSA-N 1 0 317.389 2.948 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000520402427 429512753 /nfs/dbraw/zinc/51/27/53/429512753.db2.gz QCLSPACNBRNKGP-HIFRSBDPSA-N 1 0 306.362 2.604 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1OC ZINC000428457732 429524166 /nfs/dbraw/zinc/52/41/66/429524166.db2.gz MZSILEQJTJUKPM-DGCLKSJQSA-N 1 0 306.362 2.986 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCOCC2)c([N+](=O)[O-])c1 ZINC000367013610 429558374 /nfs/dbraw/zinc/55/83/74/429558374.db2.gz ASMJTKXKMFXWDF-UHFFFAOYSA-N 1 0 321.333 2.552 20 5 DFBDRO Cc1cnc([C@@H](C)[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000428977817 429567420 /nfs/dbraw/zinc/56/74/20/429567420.db2.gz NOUCMFZRFIIVBH-CYBMUJFWSA-N 1 0 300.362 2.929 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)C1 ZINC000428996299 429568336 /nfs/dbraw/zinc/56/83/36/429568336.db2.gz QVHJPHYTHJMSDS-XNJGSVPQSA-N 1 0 321.396 2.896 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000429004329 429571140 /nfs/dbraw/zinc/57/11/40/429571140.db2.gz FINXYGVHPIVNNF-CPUCHLNUSA-N 1 0 303.406 2.757 20 5 DFBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H]1C[NH3+] ZINC000429163728 429583245 /nfs/dbraw/zinc/58/32/45/429583245.db2.gz OKOZISGLWHENJC-GWCFXTLKSA-N 1 0 317.345 2.540 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000450253518 429586338 /nfs/dbraw/zinc/58/63/38/429586338.db2.gz OPTMEOYXSTXEEC-UONOGXRCSA-N 1 0 312.373 3.182 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429569614 429618517 /nfs/dbraw/zinc/61/85/17/429618517.db2.gz UAZYXMGPRWNMSL-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@](CC)(CO)C2)ccc1[N+](=O)[O-] ZINC000492816844 429623447 /nfs/dbraw/zinc/62/34/47/429623447.db2.gz JBHOLJWDNRZLNO-QGZVFWFLSA-N 1 0 322.405 2.978 20 5 DFBDRO CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000458514696 429650142 /nfs/dbraw/zinc/65/01/42/429650142.db2.gz RKWWJYILKODUKD-CQSZACIVSA-N 1 0 322.409 2.685 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1[N+](=O)[O-] ZINC000367458974 429651648 /nfs/dbraw/zinc/65/16/48/429651648.db2.gz PUHSPSYUNYQAIU-INIZCTEOSA-N 1 0 306.362 2.748 20 5 DFBDRO C[NH+](C)[C@@H](CNc1nccc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000450310979 429595421 /nfs/dbraw/zinc/59/54/21/429595421.db2.gz GCUHEJKZCNRNJE-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000430195617 429661158 /nfs/dbraw/zinc/66/11/58/429661158.db2.gz OPDXWBRHTMZZIF-YWPYICTPSA-N 1 0 308.378 2.585 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCCC[N@H+]1CCO ZINC000450613680 429661434 /nfs/dbraw/zinc/66/14/34/429661434.db2.gz MEVQYJWOEXOBKT-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000430217151 429663204 /nfs/dbraw/zinc/66/32/04/429663204.db2.gz ILTLZKWCGHZRJQ-ZFWWWQNUSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000430212243 429663574 /nfs/dbraw/zinc/66/35/74/429663574.db2.gz ZVLDZSVSJACRSC-GFCCVEGCSA-N 1 0 306.362 2.604 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218474 429663634 /nfs/dbraw/zinc/66/36/34/429663634.db2.gz LZDKXKHZYOTPEY-CABCVRRESA-N 1 0 308.378 2.729 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242557 429666622 /nfs/dbraw/zinc/66/66/22/429666622.db2.gz JBBHBXNDMADWGE-HNNXBMFYSA-N 1 0 307.394 2.520 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000430242901 429667917 /nfs/dbraw/zinc/66/79/17/429667917.db2.gz YWFHRPBEAYJJQV-ZDUSSCGKSA-N 1 0 314.341 2.566 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000176248327 276168770 /nfs/dbraw/zinc/16/87/70/276168770.db2.gz TYMFRSFQDCHUHU-CQSZACIVSA-N 1 0 306.366 2.543 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000274765480 276207209 /nfs/dbraw/zinc/20/72/09/276207209.db2.gz YKUZSVWGUKSRIR-LLVKDONJSA-N 1 0 305.378 2.651 20 5 DFBDRO C[C@@H]1C[C@@H](C)[NH+]1Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000525996794 429693448 /nfs/dbraw/zinc/69/34/48/429693448.db2.gz JGNOKXDAEHXULE-VXGBXAGGSA-N 1 0 300.362 2.978 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH2+]CC1 ZINC000430639705 429705408 /nfs/dbraw/zinc/70/54/08/429705408.db2.gz IRLUBZBUVOHADZ-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO C[NH+](C)C1(CNc2nc3ccccc3cc2[N+](=O)[O-])CCCC1 ZINC000473514213 429714601 /nfs/dbraw/zinc/71/46/01/429714601.db2.gz QXELBTGFHONCCL-UHFFFAOYSA-N 1 0 314.389 3.429 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])c(C2CC2)n1)Cc1ccccc1 ZINC000450901593 429724154 /nfs/dbraw/zinc/72/41/54/429724154.db2.gz JNPXWDMCZLXSAB-UHFFFAOYSA-N 1 0 300.362 2.801 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](C[C@H]3Cc4ccccc43)C2)c1 ZINC000367868149 429733565 /nfs/dbraw/zinc/73/35/65/429733565.db2.gz ANSBBSXXXQTXAR-CABCVRRESA-N 1 0 312.373 2.768 20 5 DFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000527316206 429742758 /nfs/dbraw/zinc/74/27/58/429742758.db2.gz MDZBUSJUIKCPMR-XJKSGUPXSA-N 1 0 308.378 2.768 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000432151612 429804299 /nfs/dbraw/zinc/80/42/99/429804299.db2.gz GZWDVKXMEFZUQO-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CCC(CC)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451110135 429769040 /nfs/dbraw/zinc/76/90/40/429769040.db2.gz ZSSUOWMJTKQSDP-NWDGAFQWSA-N 1 0 307.394 2.939 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000493585101 429789945 /nfs/dbraw/zinc/78/99/45/429789945.db2.gz NSAJTBLDWAXSDQ-KPKJPENVSA-N 1 0 317.389 2.597 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c2nccn21 ZINC000493720608 429816224 /nfs/dbraw/zinc/81/62/24/429816224.db2.gz JWOUWFNLCUQFEW-RPHDQRHUSA-N 1 0 312.329 2.627 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432339135 429816346 /nfs/dbraw/zinc/81/63/46/429816346.db2.gz ZGWJGBBYGHMBLZ-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000368564949 429868445 /nfs/dbraw/zinc/86/84/45/429868445.db2.gz YECRJOOTZVKOEN-NWDGAFQWSA-N 1 0 310.785 2.706 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000493751094 429822120 /nfs/dbraw/zinc/82/21/20/429822120.db2.gz ILXRTRMMZVJERP-NPQIQWPPSA-N 1 0 317.389 2.551 20 5 DFBDRO CO[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000451545089 429850145 /nfs/dbraw/zinc/85/01/45/429850145.db2.gz NSIJYIAYUGLUSM-GXFFZTMASA-N 1 0 305.334 2.593 20 5 DFBDRO CCO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451552535 429851578 /nfs/dbraw/zinc/85/15/78/429851578.db2.gz YUANJVVAOLGXFD-BBRMVZONSA-N 1 0 308.378 2.721 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000451552820 429851974 /nfs/dbraw/zinc/85/19/74/429851974.db2.gz YZSMNQPBSGBRNO-WFASDCNBSA-N 1 0 308.378 2.850 20 5 DFBDRO C/C(=C\c1ccccc1)C[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000494263166 429863245 /nfs/dbraw/zinc/86/32/45/429863245.db2.gz VYHMDLQFVJYEML-WYMLVPIESA-N 1 0 300.362 2.827 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000451650003 429868263 /nfs/dbraw/zinc/86/82/63/429868263.db2.gz SXSLQJALVSGEAJ-OAHLLOKOSA-N 1 0 308.403 2.801 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000368669890 429885049 /nfs/dbraw/zinc/88/50/49/429885049.db2.gz BREIBRPPDUAUHF-LSDHHAIUSA-N 1 0 317.389 2.860 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685879 429886505 /nfs/dbraw/zinc/88/65/05/429886505.db2.gz BZQCEGVRIXXWNQ-NWDGAFQWSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000368690733 429887407 /nfs/dbraw/zinc/88/74/07/429887407.db2.gz XFJYEJAYUPMGBG-VXGBXAGGSA-N 1 0 323.418 2.664 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369002210 429906899 /nfs/dbraw/zinc/90/68/99/429906899.db2.gz MVNIKJWFUYDSED-DOMZBBRYSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[C@H]1CN(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000494465098 429875658 /nfs/dbraw/zinc/87/56/58/429875658.db2.gz MMMOKJDHBIPHOF-ZBFHGGJFSA-N 1 0 321.421 2.665 20 5 DFBDRO C[N@@H+]1CCCC12CCN(CCc1ccc([N+](=O)[O-])cc1)CC2 ZINC000369382684 429933913 /nfs/dbraw/zinc/93/39/13/429933913.db2.gz DLRGLOWGMBCYCS-UHFFFAOYSA-N 1 0 303.406 2.698 20 5 DFBDRO Cc1ccc([C@@]2(C)CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)cc1 ZINC000369384067 429934384 /nfs/dbraw/zinc/93/43/84/429934384.db2.gz QCZBZFLDWUIFNX-KRWDZBQOSA-N 1 0 314.389 2.800 20 5 DFBDRO C[C@@H](C1CC1)[N@H+](C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000560646062 430060167 /nfs/dbraw/zinc/06/01/67/430060167.db2.gz LLVXMMPVJMSDTF-VIFPVBQESA-N 1 0 311.769 2.917 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562257431 430113868 /nfs/dbraw/zinc/11/38/68/430113868.db2.gz UBXKAMSVFGVPEQ-KGLIPLIRSA-N 1 0 321.421 2.935 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CCC[NH2+]CC1 ZINC000580903177 430161897 /nfs/dbraw/zinc/16/18/97/430161897.db2.gz RABVSLMUZRFQPB-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299575 430117683 /nfs/dbraw/zinc/11/76/83/430117683.db2.gz LSAHEGSHFWSIHE-UONOGXRCSA-N 1 0 319.405 2.545 20 5 DFBDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000267445286 277024822 /nfs/dbraw/zinc/02/48/22/277024822.db2.gz PVUODRVLHYKSNQ-QGLTVNCISA-N 1 0 305.378 2.693 20 5 DFBDRO CN(C)C(=O)CCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000563363802 430180803 /nfs/dbraw/zinc/18/08/03/430180803.db2.gz CIDVJLORNYRYPM-HNNXBMFYSA-N 1 0 319.405 2.643 20 5 DFBDRO CC(C)Oc1nc(N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000566477581 430264571 /nfs/dbraw/zinc/26/45/71/430264571.db2.gz GNSHCQMMAGAUDM-UHFFFAOYSA-N 1 0 322.409 2.698 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582716122 430326432 /nfs/dbraw/zinc/32/64/32/430326432.db2.gz DPEJZDNCRZFTKP-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000546685507 430361903 /nfs/dbraw/zinc/36/19/03/430361903.db2.gz IDXCSNLNPGIPHD-OLZOCXBDSA-N 1 0 305.378 2.565 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOCC(F)(F)F ZINC000569259202 430438078 /nfs/dbraw/zinc/43/80/78/430438078.db2.gz VVMMWOTUOPEQPM-NSHDSACASA-N 1 0 304.268 2.751 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)ccc1[N+](=O)[O-] ZINC000583907751 430439021 /nfs/dbraw/zinc/43/90/21/430439021.db2.gz KMBOUSVMPQXVMK-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569540842 430462552 /nfs/dbraw/zinc/46/25/52/430462552.db2.gz TVHPFKGWFMNVGK-OLZOCXBDSA-N 1 0 321.421 2.791 20 5 DFBDRO CC(C)(C)OCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000569553471 430464476 /nfs/dbraw/zinc/46/44/76/430464476.db2.gz RBKGVZSOKBLHRG-CHWSQXEVSA-N 1 0 310.398 2.680 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000547798130 430424146 /nfs/dbraw/zinc/42/41/46/430424146.db2.gz OECNPPLLVWOUDX-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000590690371 430488196 /nfs/dbraw/zinc/48/81/96/430488196.db2.gz WHOXUPWWIMFCDG-AWEZNQCLSA-N 1 0 314.389 3.429 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000596309824 430512561 /nfs/dbraw/zinc/51/25/61/430512561.db2.gz XQCNWSDBIYPCQH-AWEZNQCLSA-N 1 0 314.389 3.428 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000599126994 430527104 /nfs/dbraw/zinc/52/71/04/430527104.db2.gz LCSFNJUKKKDLHA-AWEZNQCLSA-N 1 0 304.394 3.117 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000549639842 430529060 /nfs/dbraw/zinc/52/90/60/430529060.db2.gz QEHSAVJHWCKQIP-ZDUSSCGKSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1nocc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000549820395 430533358 /nfs/dbraw/zinc/53/33/58/430533358.db2.gz BPWCJBGPQHQYKC-UHFFFAOYSA-N 1 0 300.318 2.705 20 5 DFBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363171766 278033420 /nfs/dbraw/zinc/03/34/20/278033420.db2.gz CFWNFUHUOJEGQI-OCCSQVGLSA-N 1 0 300.362 2.706 20 5 DFBDRO CS[C@@H]1CN(c2c(C)cccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000357465081 278156798 /nfs/dbraw/zinc/15/67/98/278156798.db2.gz WWCQRHILTOYLMG-LSDHHAIUSA-N 1 0 321.446 2.919 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275971191 278174968 /nfs/dbraw/zinc/17/49/68/278174968.db2.gz LOSHAGRZCDENAC-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000289858940 288026145 /nfs/dbraw/zinc/02/61/45/288026145.db2.gz GIFRLZYLWDIKNN-KKUMJFAQSA-N 1 0 305.378 2.550 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000556811900 430693664 /nfs/dbraw/zinc/69/36/64/430693664.db2.gz PRZSUVVHFKWLIU-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C(C)(C)C ZINC000572998674 430699134 /nfs/dbraw/zinc/69/91/34/430699134.db2.gz KNSFASCCRLPWIO-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000269276087 278413159 /nfs/dbraw/zinc/41/31/59/278413159.db2.gz OSEHLPDZIDNFAT-SMDDNHRTSA-N 1 0 319.405 2.702 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000367066045 288064842 /nfs/dbraw/zinc/06/48/42/288064842.db2.gz IABUDKBLJCXHEY-ZMSDIMECSA-N 1 0 317.389 2.693 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374497732 288071868 /nfs/dbraw/zinc/07/18/68/288071868.db2.gz RQZQIRDXUWAOGN-HYVNUMGLSA-N 1 0 320.389 2.974 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000075955113 278866039 /nfs/dbraw/zinc/86/60/39/278866039.db2.gz SQZBAQSCQVTDJS-CYBMUJFWSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000376259891 278970141 /nfs/dbraw/zinc/97/01/41/278970141.db2.gz IDVGJMOHZLEUOM-PWSUYJOCSA-N 1 0 311.332 2.936 20 5 DFBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282201224 279028337 /nfs/dbraw/zinc/02/83/37/279028337.db2.gz GUHOWQSFXBCEBQ-COLVAYQJSA-N 1 0 317.389 2.574 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1c(F)cc([N+](=O)[O-])cc1F ZINC000286426249 280115809 /nfs/dbraw/zinc/11/58/09/280115809.db2.gz NIGFOEGVEAECSJ-IINYFYTJSA-N 1 0 311.332 2.936 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000375853659 280195063 /nfs/dbraw/zinc/19/50/63/280195063.db2.gz XNZFZXXWEFOFLX-UKRRQHHQSA-N 1 0 315.377 2.550 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000354706588 280397973 /nfs/dbraw/zinc/39/79/73/280397973.db2.gz BFAOCWYYEDKIMZ-OCCSQVGLSA-N 1 0 319.405 2.542 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000089592708 280941171 /nfs/dbraw/zinc/94/11/71/280941171.db2.gz JRXFFOAXSVEVCR-KGLIPLIRSA-N 1 0 319.405 2.955 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCc2nnc(C)n2C1)c1cccc([N+](=O)[O-])c1 ZINC000375853658 280962022 /nfs/dbraw/zinc/96/20/22/280962022.db2.gz XNZFZXXWEFOFLX-HIFRSBDPSA-N 1 0 315.377 2.550 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([NH+]3CCCCC3)CC2)n1 ZINC000269033140 281010640 /nfs/dbraw/zinc/01/06/40/281010640.db2.gz SBEHCVKGCWNAIT-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000175033085 281193321 /nfs/dbraw/zinc/19/33/21/281193321.db2.gz JYIHQIJFQVVNAM-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000194401788 281257683 /nfs/dbraw/zinc/25/76/83/281257683.db2.gz RUNAKARKJRRUBI-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267280930 288314071 /nfs/dbraw/zinc/31/40/71/288314071.db2.gz OUQMYMZNIAHNMC-LSDHHAIUSA-N 1 0 317.389 2.860 20 5 DFBDRO CCC[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000363369322 289083439 /nfs/dbraw/zinc/08/34/39/289083439.db2.gz KCLOWZAFAPIAKI-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO C[NH2+][C@H](C)CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415704224 289122175 /nfs/dbraw/zinc/12/21/75/289122175.db2.gz RSQAERFSMHVXNB-SNVBAGLBSA-N 1 0 308.382 2.622 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415763213 289132374 /nfs/dbraw/zinc/13/23/74/289132374.db2.gz NUJRVDJKGUQNTJ-OCCSQVGLSA-N 1 0 320.393 2.796 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415771403 289133918 /nfs/dbraw/zinc/13/39/18/289133918.db2.gz ZQEGNFVYKQBIAS-DGCLKSJQSA-N 1 0 320.393 2.796 20 5 DFBDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000269618446 290181741 /nfs/dbraw/zinc/18/17/41/290181741.db2.gz HJTHXBLHPTZAEL-QMTHXVAHSA-N 1 0 311.332 2.794 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000436059237 296985147 /nfs/dbraw/zinc/98/51/47/296985147.db2.gz KMGOWFFUYVMRGN-QWHCGFSZSA-N 1 0 307.394 2.564 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000443308101 297218718 /nfs/dbraw/zinc/21/87/18/297218718.db2.gz JMLFGOGDOPKMCI-SLEUVZQESA-N 1 0 308.378 2.585 20 5 DFBDRO CC[C@@H]1CN(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000494465092 299870297 /nfs/dbraw/zinc/87/02/97/299870297.db2.gz MMMOKJDHBIPHOF-GDBMZVCRSA-N 1 0 321.421 2.665 20 5 DFBDRO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])cc1F ZINC000286403505 294995687 /nfs/dbraw/zinc/99/56/87/294995687.db2.gz PUJPZBDPDUBCLP-VXGBXAGGSA-N 1 0 323.368 2.806 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000154003931 295290007 /nfs/dbraw/zinc/29/00/07/295290007.db2.gz CUFVIEFPHBXFRG-OAHLLOKOSA-N 1 0 320.393 2.837 20 5 DFBDRO [NH3+][C@H]1CCC[C@]12CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000364198820 295339016 /nfs/dbraw/zinc/33/90/16/295339016.db2.gz GRHWAKNDHVYNHX-DZGCQCFKSA-N 1 0 323.780 2.592 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)SCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000157800449 295353505 /nfs/dbraw/zinc/35/35/05/295353505.db2.gz RYUSISHJSKIVGF-NSHDSACASA-N 1 0 311.407 2.525 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCC1 ZINC000412021328 295577145 /nfs/dbraw/zinc/57/71/45/295577145.db2.gz LZPHVPTWTPDLLC-SNVBAGLBSA-N 1 0 304.350 2.518 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487006 297095314 /nfs/dbraw/zinc/09/53/14/297095314.db2.gz CXRRRAOWQUKBNF-CJNGLKHVSA-N 1 0 317.389 2.678 20 5 DFBDRO C[C@H](c1cccnc1)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000440509493 297154593 /nfs/dbraw/zinc/15/45/93/297154593.db2.gz WREDPGATPAWARG-TZMCWYRMSA-N 1 0 313.361 2.632 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000441192539 297175046 /nfs/dbraw/zinc/17/50/46/297175046.db2.gz DTVQXKKJYNEYOW-GJZGRUSLSA-N 1 0 320.389 2.722 20 5 DFBDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000443346842 297220186 /nfs/dbraw/zinc/22/01/86/297220186.db2.gz WUDFDCDERDHHCU-JKIFEVAISA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000443638442 297223660 /nfs/dbraw/zinc/22/36/60/297223660.db2.gz ANWJHNHOIIIJPV-IIAWOOMASA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)OCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444640411 297242806 /nfs/dbraw/zinc/24/28/06/297242806.db2.gz PKDAZODHSPSWRI-UHFFFAOYSA-N 1 0 306.366 2.718 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000444769131 297250147 /nfs/dbraw/zinc/25/01/47/297250147.db2.gz WLGAZHHCHXVWBE-KRWDZBQOSA-N 1 0 322.405 2.991 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000444770490 297250154 /nfs/dbraw/zinc/25/01/54/297250154.db2.gz LLAFCHKLYOPJRY-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC(F)(F)F)n1 ZINC000447585628 297309484 /nfs/dbraw/zinc/30/94/84/297309484.db2.gz KZFPQEKTUCLCTI-NXEZZACHSA-N 1 0 306.288 2.817 20 5 DFBDRO COCCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600292 297310253 /nfs/dbraw/zinc/31/02/53/297310253.db2.gz LSJHRHFAWWBJHH-KBPBESRZSA-N 1 0 324.425 2.927 20 5 DFBDRO CC(C)(C)[C@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447840169 297320325 /nfs/dbraw/zinc/32/03/25/297320325.db2.gz PXRWXYXRUHPOFC-OAHLLOKOSA-N 1 0 308.378 2.721 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCSC2)n1 ZINC000448027829 297330240 /nfs/dbraw/zinc/33/02/40/297330240.db2.gz NWCQSGIISIVART-YNEHKIRRSA-N 1 0 310.423 2.618 20 5 DFBDRO [NH3+][C@@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000448231224 297335607 /nfs/dbraw/zinc/33/56/07/297335607.db2.gz QXYOFTMDIWTZFL-AWEZNQCLSA-N 1 0 311.341 2.574 20 5 DFBDRO CCn1nnc(C)c1CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000449010446 297390481 /nfs/dbraw/zinc/39/04/81/297390481.db2.gz LCSQXQSXLHNTKN-UHFFFAOYSA-N 1 0 315.377 2.679 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCNc1ccccn1 ZINC000449222832 297424853 /nfs/dbraw/zinc/42/48/53/297424853.db2.gz ISAOHANBRKZWHD-ZDUSSCGKSA-N 1 0 300.362 2.623 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449318214 297444321 /nfs/dbraw/zinc/44/43/21/297444321.db2.gz UYQOTZQYNOQQEQ-LBPRGKRZSA-N 1 0 308.378 2.705 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC[C@@H](CO)C1 ZINC000449329922 297447164 /nfs/dbraw/zinc/44/71/64/297447164.db2.gz KAIHMJOIMLPFMY-QLFBSQMISA-N 1 0 306.406 2.914 20 5 DFBDRO COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449417350 297462776 /nfs/dbraw/zinc/46/27/76/297462776.db2.gz XPQHFHRBKHEUSR-CABCVRRESA-N 1 0 306.362 2.806 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(CF)CCOCC1 ZINC000449484356 297477763 /nfs/dbraw/zinc/47/77/63/297477763.db2.gz GSARZGFCILEAHU-HWKANZROSA-N 1 0 308.353 2.964 20 5 DFBDRO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H](C)O ZINC000449538124 297488497 /nfs/dbraw/zinc/48/84/97/297488497.db2.gz HABZTWWCCHZNHH-YGRLFVJLSA-N 1 0 321.402 2.967 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449581956 297494618 /nfs/dbraw/zinc/49/46/18/297494618.db2.gz CTHNZDFHWXDEMH-YUELXQCFSA-N 1 0 320.389 2.847 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451500580 297818132 /nfs/dbraw/zinc/81/81/32/297818132.db2.gz YHVJBEQCQPNERO-GDBMZVCRSA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451507273 297819387 /nfs/dbraw/zinc/81/93/87/297819387.db2.gz VPYNRZYDJKJKFM-COLVAYQJSA-N 1 0 306.337 2.781 20 5 DFBDRO CC[C@@H](C(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)[NH+](C)C ZINC000452837103 298033496 /nfs/dbraw/zinc/03/34/96/298033496.db2.gz DVGGNPMVYWUZCS-HOCLYGCPSA-N 1 0 319.405 2.641 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453338833 298085022 /nfs/dbraw/zinc/08/50/22/298085022.db2.gz YYATTYAUHIIAJB-XOKHGSTOSA-N 1 0 320.389 2.613 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453359358 298086538 /nfs/dbraw/zinc/08/65/38/298086538.db2.gz AFEPEWOGPQKYNB-OSAQELSMSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453371921 298087888 /nfs/dbraw/zinc/08/78/88/298087888.db2.gz YNMZKVYUVBPRHW-SJKOYZFVSA-N 1 0 314.389 2.927 20 5 DFBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C(N)=O)C2)c2cc([N+](=O)[O-])ccc21 ZINC000453376950 298088130 /nfs/dbraw/zinc/08/81/30/298088130.db2.gz VITVUKCLKMVINR-FIXISWKDSA-N 1 0 317.389 2.561 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000453382883 298088841 /nfs/dbraw/zinc/08/88/41/298088841.db2.gz LTQWVOUZBXXMHW-WBVHZDCISA-N 1 0 304.390 2.667 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC(C)(C)C[NH+](C)C ZINC000454939649 298266969 /nfs/dbraw/zinc/26/69/69/298266969.db2.gz HBMOTRRNIOPSQI-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000455321018 298338782 /nfs/dbraw/zinc/33/87/82/298338782.db2.gz BGKUESASSCNCDJ-NSHDSACASA-N 1 0 324.356 2.682 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455327892 298340027 /nfs/dbraw/zinc/34/00/27/298340027.db2.gz IBQXYZQXAZDZGH-CYBMUJFWSA-N 1 0 324.356 2.682 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000457361481 298706804 /nfs/dbraw/zinc/70/68/04/298706804.db2.gz KMHABTXKGGVXJP-NSHDSACASA-N 1 0 323.418 2.518 20 5 DFBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000498366075 300195989 /nfs/dbraw/zinc/19/59/89/300195989.db2.gz VBKCSBHIFAHDOG-SNVBAGLBSA-N 1 0 319.386 2.677 20 5 DFBDRO C[C@@H]1C[C@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000503374601 300220167 /nfs/dbraw/zinc/22/01/67/300220167.db2.gz KEGBHSPCNBISGQ-IAQYHMDHSA-N 1 0 320.780 2.970 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505835196 300228581 /nfs/dbraw/zinc/22/85/81/300228581.db2.gz VYYFQUSZJDBRKP-GFCCVEGCSA-N 1 0 318.352 2.847 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H](C)O1 ZINC000515366345 300303052 /nfs/dbraw/zinc/30/30/52/300303052.db2.gz PXBMRHZFXZEHOJ-GDLVEWKHSA-N 1 0 303.362 2.774 20 5 DFBDRO COc1cc(C[NH2+]CCOCC2CCC2)c([N+](=O)[O-])cc1OC ZINC000515419834 300306063 /nfs/dbraw/zinc/30/60/63/300306063.db2.gz GJMARTKLMPMSIF-UHFFFAOYSA-N 1 0 324.377 2.518 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000515498947 300310521 /nfs/dbraw/zinc/31/05/21/300310521.db2.gz LIESCRCOQGZQDW-DOMZBBRYSA-N 1 0 320.389 2.756 20 5 DFBDRO [NH3+][C@H]1C[C@H](NCCOc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000516173860 300332776 /nfs/dbraw/zinc/33/27/76/300332776.db2.gz GGXVELKVLQCEHK-IRXDYDNUSA-N 1 0 313.357 2.708 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000517588890 300401267 /nfs/dbraw/zinc/40/12/67/300401267.db2.gz UISLBZIKAGYXKQ-ZDUSSCGKSA-N 1 0 306.362 2.761 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CC1CCCC1)C2 ZINC000530494832 301051450 /nfs/dbraw/zinc/05/14/50/301051450.db2.gz NKVVOVZPDRYDBL-HNNXBMFYSA-N 1 0 304.390 2.894 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000531989160 301123785 /nfs/dbraw/zinc/12/37/85/301123785.db2.gz IGZVPSGJTSRVFI-CZUORRHYSA-N 1 0 316.357 2.685 20 5 DFBDRO COc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000532080214 301129233 /nfs/dbraw/zinc/12/92/33/301129233.db2.gz MUXYTNCLZSBYIH-LLVKDONJSA-N 1 0 311.357 2.885 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532239526 301139007 /nfs/dbraw/zinc/13/90/07/301139007.db2.gz CATMHUWLUAFXFN-IUODEOHRSA-N 1 0 323.393 2.573 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]([NH+]3CCCC3)C2)n1 ZINC000408171670 301203514 /nfs/dbraw/zinc/20/35/14/301203514.db2.gz MGAFVTSOENSFTR-CQSZACIVSA-N 1 0 304.394 2.671 20 5 DFBDRO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)s1 ZINC000534336715 301229254 /nfs/dbraw/zinc/22/92/54/301229254.db2.gz KTHVQMCLJIXTRH-UHFFFAOYSA-N 1 0 318.402 2.682 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(CCO)CC1 ZINC000536631862 301284440 /nfs/dbraw/zinc/28/44/40/301284440.db2.gz KZXYNHGGTWBVEN-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1ncc2c(n1)CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000536642898 301285042 /nfs/dbraw/zinc/28/50/42/301285042.db2.gz AFAAKVRDSOVNLS-GQCTYLIASA-N 1 0 310.357 2.765 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000536852103 301291579 /nfs/dbraw/zinc/29/15/79/301291579.db2.gz LAFKWAKQHBDKEH-VBQJREDUSA-N 1 0 320.389 2.892 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000537977331 301315362 /nfs/dbraw/zinc/31/53/62/301315362.db2.gz DCEMHRCWDDHNFS-GFCCVEGCSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ccc(C[N@H+](CC(C)(C)O)C2CCOCC2)cc1[N+](=O)[O-] ZINC000539838503 301352204 /nfs/dbraw/zinc/35/22/04/301352204.db2.gz UQWXSBJKNUUTDB-UHFFFAOYSA-N 1 0 322.405 2.655 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542254407 301410362 /nfs/dbraw/zinc/41/03/62/301410362.db2.gz SXQOKWJOWYJDJJ-IUODEOHRSA-N 1 0 310.394 2.749 20 5 DFBDRO CC(C)(C)OC1CC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000548173149 301572032 /nfs/dbraw/zinc/57/20/32/301572032.db2.gz LTYSGBHVCJILPN-UHFFFAOYSA-N 1 0 308.378 2.909 20 5 DFBDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095621 301726368 /nfs/dbraw/zinc/72/63/68/301726368.db2.gz RLSCJIZVQQPVQU-SQWLQELKSA-N 1 0 305.422 2.846 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000252696020 301787972 /nfs/dbraw/zinc/78/79/72/301787972.db2.gz LQZNPWZWNXHMGT-ILXRZTDVSA-N 1 0 321.421 2.663 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000560585406 301906375 /nfs/dbraw/zinc/90/63/75/301906375.db2.gz MKTDZKSCIQCCFV-MISXGVKJSA-N 1 0 323.418 2.653 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CSC[C@H]1C ZINC000560585404 301906390 /nfs/dbraw/zinc/90/63/90/301906390.db2.gz MKTDZKSCIQCCFV-JTNHKYCSSA-N 1 0 323.418 2.653 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CO1 ZINC000563121494 302039051 /nfs/dbraw/zinc/03/90/51/302039051.db2.gz CINHYSZKGBGSJP-ZYHUDNBSSA-N 1 0 319.386 2.985 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288357891 302039400 /nfs/dbraw/zinc/03/94/00/302039400.db2.gz KNOFFZIPDBAZOD-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000563193895 302047158 /nfs/dbraw/zinc/04/71/58/302047158.db2.gz LMHFVJMZUVLEMI-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000564076765 302117109 /nfs/dbraw/zinc/11/71/09/302117109.db2.gz GHYZBVAZHRCNFB-RDTXWAMCSA-N 1 0 314.385 2.892 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564118878 302119755 /nfs/dbraw/zinc/11/97/55/302119755.db2.gz SKDRNSUXWOCNEI-MGPQQGTHSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000565139671 302197230 /nfs/dbraw/zinc/19/72/30/302197230.db2.gz YTWXVLXLUVDBTA-LEWSCRJBSA-N 1 0 309.341 2.792 20 5 DFBDRO COc1ccc(OCCOc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC000566004656 302252408 /nfs/dbraw/zinc/25/24/08/302252408.db2.gz QPJFGQRNILYSDD-UHFFFAOYSA-N 1 0 318.329 2.520 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000566286403 302274524 /nfs/dbraw/zinc/27/45/24/302274524.db2.gz MXELDKKDJJHBSA-GRYCIOLGSA-N 1 0 320.393 2.836 20 5 DFBDRO C[C@H]1CC([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000567689073 302379735 /nfs/dbraw/zinc/37/97/35/302379735.db2.gz BSRJCMHEJXXLSB-NFAWXSAZSA-N 1 0 322.405 2.749 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000567750399 302386491 /nfs/dbraw/zinc/38/64/91/302386491.db2.gz UWTRHHDVPOHQMY-UHFFFAOYSA-N 1 0 318.421 2.647 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000567796984 302389519 /nfs/dbraw/zinc/38/95/19/302389519.db2.gz KYWVAYIKSLYKDL-HNNXBMFYSA-N 1 0 313.357 2.988 20 5 DFBDRO CNc1ccc(-c2nc([C@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000567852515 302392961 /nfs/dbraw/zinc/39/29/61/302392961.db2.gz FWGFGVCDBVHIDO-SNVBAGLBSA-N 1 0 305.338 2.732 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1c1ccc(Br)cc1[N+](=O)[O-] ZINC000044559657 303396679 /nfs/dbraw/zinc/39/66/79/303396679.db2.gz XWXKHVMYAPJBTK-JTQLQIEISA-N 1 0 314.183 2.675 20 5 DFBDRO CC[N@@H+]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)OC)c2)C1 ZINC000180422224 316033263 /nfs/dbraw/zinc/03/32/63/316033263.db2.gz YJEYFJJVDSEOJJ-LBPRGKRZSA-N 1 0 321.377 2.586 20 5 DFBDRO C[C@H](CCNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000182451435 316103007 /nfs/dbraw/zinc/10/30/07/316103007.db2.gz LFNCUNPJBQPZHW-CYBMUJFWSA-N 1 0 320.393 2.981 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1-c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414626533 316635659 /nfs/dbraw/zinc/63/56/59/316635659.db2.gz YIEZHFNMGYRWCZ-LLVKDONJSA-N 1 0 306.322 2.699 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421880248 316779840 /nfs/dbraw/zinc/77/98/40/316779840.db2.gz QEODSNFJSSNWKI-QWHCGFSZSA-N 1 0 308.378 2.830 20 5 DFBDRO CSC1(C[NH2+][C@H](C)CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000433097621 316875597 /nfs/dbraw/zinc/87/55/97/316875597.db2.gz ODDOZFJPCFWYKI-LLVKDONJSA-N 1 0 323.418 2.797 20 5 DFBDRO NC(=O)c1ccc(C[NH2+][C@@H]2CCC23CCCC3)c([N+](=O)[O-])c1 ZINC000451461286 317115985 /nfs/dbraw/zinc/11/59/85/317115985.db2.gz TTWPDMLCGAOVMJ-CQSZACIVSA-N 1 0 303.362 2.506 20 5 DFBDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)ccn1 ZINC000453293795 317177507 /nfs/dbraw/zinc/17/75/07/317177507.db2.gz PWBRPJCQYCFCBW-GJZGRUSLSA-N 1 0 315.377 2.768 20 5 DFBDRO CCO[C@@H]1COC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000453369280 317181259 /nfs/dbraw/zinc/18/12/59/317181259.db2.gz TUBHJULESSDXKB-ARFHVFGLSA-N 1 0 320.389 2.711 20 5 DFBDRO Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000456709452 317245751 /nfs/dbraw/zinc/24/57/51/317245751.db2.gz XXXDYRVPGQLHNV-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@H]1C[C@@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000488085324 317365965 /nfs/dbraw/zinc/36/59/65/317365965.db2.gz SFOOUAQLYBBHFK-NWDGAFQWSA-N 1 0 312.373 2.602 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000491530279 317581140 /nfs/dbraw/zinc/58/11/40/317581140.db2.gz AOPINXAEKBDYRW-YFHOEESVSA-N 1 0 319.405 2.654 20 5 DFBDRO CC[C@@H]1CN(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCO1 ZINC000494498102 317655686 /nfs/dbraw/zinc/65/56/86/317655686.db2.gz VACIGOWHCGPCAC-LSDHHAIUSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000558296135 317880429 /nfs/dbraw/zinc/88/04/29/317880429.db2.gz RWSMNVBRTLRKPI-UKRRQHHQSA-N 1 0 315.373 2.725 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])c(OC(C)C)n2)CC1 ZINC000574582096 318026349 /nfs/dbraw/zinc/02/63/49/318026349.db2.gz RWWCCGWEHZMPMC-UHFFFAOYSA-N 1 0 322.409 2.603 20 5 DFBDRO CC[C@]1(C(C)C)C[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575917019 318091337 /nfs/dbraw/zinc/09/13/37/318091337.db2.gz FWAWCAPHOOHANG-XOKHGSTOSA-N 1 0 322.405 2.749 20 5 DFBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000576578388 318135346 /nfs/dbraw/zinc/13/53/46/318135346.db2.gz QCVXJVUZAGFNOJ-DJIMGWMZSA-N 1 0 322.405 2.749 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000576717617 318146098 /nfs/dbraw/zinc/14/60/98/318146098.db2.gz KFRJEIMIGIGGIT-ZDUSSCGKSA-N 1 0 307.394 2.993 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@H]3CCCOC3)c2c1 ZINC000577140979 318173737 /nfs/dbraw/zinc/17/37/37/318173737.db2.gz SWHFPABHNGOLOL-GFCCVEGCSA-N 1 0 303.362 2.635 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000577438853 318192272 /nfs/dbraw/zinc/19/22/72/318192272.db2.gz MMSITLAJEWJPLI-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO Cn1cncc1CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000577816102 318218317 /nfs/dbraw/zinc/21/83/17/318218317.db2.gz BXHKZRHCGJBGJO-INIZCTEOSA-N 1 0 314.389 2.883 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000578450583 318261840 /nfs/dbraw/zinc/26/18/40/318261840.db2.gz FZMQLLHKQQONBI-LSDHHAIUSA-N 1 0 308.378 2.631 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000578892208 318293398 /nfs/dbraw/zinc/29/33/98/318293398.db2.gz ZOYVDLDJLYIEEP-BXUZGUMPSA-N 1 0 305.378 2.645 20 5 DFBDRO CN(C)[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000580034692 318370076 /nfs/dbraw/zinc/37/00/76/318370076.db2.gz XPHAHWMOPQMPIR-SJORKVTESA-N 1 0 303.406 2.902 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194362198 323267575 /nfs/dbraw/zinc/26/75/75/323267575.db2.gz GRZOEBGNXZSKRW-RDBSUJKOSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1cc(NC[C@@H](CO)C(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000394028428 323349351 /nfs/dbraw/zinc/34/93/51/323349351.db2.gz ILBGQQABKXVWHE-LBPRGKRZSA-N 1 0 303.362 2.550 20 5 DFBDRO Cn1cncc1CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000580293187 323365149 /nfs/dbraw/zinc/36/51/49/323365149.db2.gz JRWLKSSIRQKVFR-KRWDZBQOSA-N 1 0 314.389 2.928 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CCC([C@H]3CCC[NH2+]3)CC1)CCN2 ZINC000580422289 323383059 /nfs/dbraw/zinc/38/30/59/323383059.db2.gz UDGMEQFMDVHCDF-CQSZACIVSA-N 1 0 316.405 2.531 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)C(F)F ZINC000583066664 323788168 /nfs/dbraw/zinc/78/81/68/323788168.db2.gz KSULLHLOPVTNBT-TVYUQYBPSA-N 1 0 302.321 2.958 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(CF)CCOCC1 ZINC000584004854 323949115 /nfs/dbraw/zinc/94/91/15/323949115.db2.gz XYUUMOOYXVPESY-CQSZACIVSA-N 1 0 308.353 2.938 20 5 DFBDRO COc1cccc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000584540368 337359689 /nfs/dbraw/zinc/35/96/89/337359689.db2.gz WKMLBBPTBBKLNC-ZDUSSCGKSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415056562 500964285 /nfs/dbraw/zinc/96/42/85/500964285.db2.gz SHKHVCRYPJFABD-ZWKOTPCHSA-N 1 0 311.385 2.748 20 5 DFBDRO C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000319943461 533806726 /nfs/dbraw/zinc/80/67/26/533806726.db2.gz SOCIQEQDUNVVHN-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO Cc1cc(F)c(NC(=O)NC2(C[NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000296808803 533811245 /nfs/dbraw/zinc/81/12/45/533811245.db2.gz RIWFFBYBALZLCZ-UHFFFAOYSA-N 1 0 324.356 2.648 20 5 DFBDRO Cc1nc(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000297338390 534499171 /nfs/dbraw/zinc/49/91/71/534499171.db2.gz ASGODLPKLOLYHU-ZFWWWQNUSA-N 1 0 313.361 2.551 20 5 DFBDRO CCOc1cccc(N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1[N+](=O)[O-] ZINC000364913972 521383372 /nfs/dbraw/zinc/38/33/72/521383372.db2.gz FFCARJMXFQRCIM-GXTWGEPZSA-N 1 0 305.378 2.524 20 5 DFBDRO COc1cc(C[N@H+]2CCC[C@H](OC)CC2)c([N+](=O)[O-])cc1F ZINC000363821550 522379888 /nfs/dbraw/zinc/37/98/88/522379888.db2.gz NVCRSZMNSVJJGP-LBPRGKRZSA-N 1 0 312.341 2.743 20 5 DFBDRO COc1ccc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364076278 524072552 /nfs/dbraw/zinc/07/25/52/524072552.db2.gz GFZKHSKQEHAYDL-IRXDYDNUSA-N 1 0 320.389 2.898 20 5 DFBDRO Cc1cccc(C(=O)N2CCCC3(CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000368808476 524171515 /nfs/dbraw/zinc/17/15/15/524171515.db2.gz YQIDCTJDBZMGMM-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317333003 534810867 /nfs/dbraw/zinc/81/08/67/534810867.db2.gz XKBHLFDBVUFIRN-RYUDHWBXSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000364927673 525565132 /nfs/dbraw/zinc/56/51/32/525565132.db2.gz BHNRYVUNGADTSI-SFHVURJKSA-N 1 0 312.369 2.827 20 5 DFBDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000157600156 525807915 /nfs/dbraw/zinc/80/79/15/525807915.db2.gz JFLQPWJBEPYNFV-XEZPLFJOSA-N 1 0 306.406 2.913 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1O ZINC000330701509 526671021 /nfs/dbraw/zinc/67/10/21/526671021.db2.gz HUCLHEZFHXNBGK-HZPDHXFCSA-N 1 0 322.405 2.703 20 5 DFBDRO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)no1 ZINC000364932705 526781709 /nfs/dbraw/zinc/78/17/09/526781709.db2.gz ARFRAZGVRPLEBF-UHFFFAOYSA-N 1 0 316.361 2.974 20 5 DFBDRO CC(=O)c1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292773238 527210878 /nfs/dbraw/zinc/21/08/78/527210878.db2.gz LGRWJGCNGSACKV-QGZVFWFLSA-N 1 0 317.389 2.720 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2c3ccccc3CC[C@@H]2CO)c1 ZINC000365166804 527387078 /nfs/dbraw/zinc/38/70/78/527387078.db2.gz ZUISZOOBLSIGIX-CRAIPNDOSA-N 1 0 312.369 2.980 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369005735 527402390 /nfs/dbraw/zinc/40/23/90/527402390.db2.gz WCOMLKUULZLNSX-UKRRQHHQSA-N 1 0 305.378 2.508 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000264463748 527492740 /nfs/dbraw/zinc/49/27/40/527492740.db2.gz LDZDWNJLEZJZPU-UHFFFAOYSA-N 1 0 315.377 2.710 20 5 DFBDRO CC[N@H+](C)Cc1cccc(CNC(=O)CCC(C)(C)[N+](=O)[O-])c1 ZINC000294672518 527840538 /nfs/dbraw/zinc/84/05/38/527840538.db2.gz XFHBIGOGWVLJMS-UHFFFAOYSA-N 1 0 321.421 2.590 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c([N+](=O)[O-])c1 ZINC000292364952 528457182 /nfs/dbraw/zinc/45/71/82/528457182.db2.gz RQZKAJBOOYFEMN-QGZVFWFLSA-N 1 0 317.389 2.720 20 5 DFBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331736858 529249251 /nfs/dbraw/zinc/24/92/51/529249251.db2.gz VJQRORWWJYKCBQ-OCCSQVGLSA-N 1 0 317.389 2.747 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355373314 535232595 /nfs/dbraw/zinc/23/25/95/535232595.db2.gz WQRDGRWZLHTBQJ-BQLWYNFJSA-N 1 0 303.406 2.880 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1C)C[C@H](C)OC ZINC000361574380 535706784 /nfs/dbraw/zinc/70/67/84/535706784.db2.gz VVJGGEZRAGXLKP-ZDUSSCGKSA-N 1 0 323.393 2.589 20 5 DFBDRO CC[C@@H](O)CCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000357533138 535810379 /nfs/dbraw/zinc/81/03/79/535810379.db2.gz PWOHKKJMRYGMFI-CYBMUJFWSA-N 1 0 303.362 2.836 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc3cc([N+](=O)[O-])ccc3o2)n1 ZINC000261701711 536405382 /nfs/dbraw/zinc/40/53/82/536405382.db2.gz IBWOBAPYHSJZIW-MRVPVSSYSA-N 1 0 302.290 2.541 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc([C@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000261770810 536405788 /nfs/dbraw/zinc/40/57/88/536405788.db2.gz NBVCFMQSKBYKFK-ZJUUUORDSA-N 1 0 322.390 2.982 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820432515 599392855 /nfs/dbraw/zinc/39/28/55/599392855.db2.gz PSEWXPYWMUKNJE-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820432514 599392994 /nfs/dbraw/zinc/39/29/94/599392994.db2.gz PSEWXPYWMUKNJE-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000074684169 185009205 /nfs/dbraw/zinc/00/92/05/185009205.db2.gz NWFIJOOJQCUPDM-OCCSQVGLSA-N 1 0 318.377 2.604 20 5 DFBDRO Cc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278290474 214070465 /nfs/dbraw/zinc/07/04/65/214070465.db2.gz JIAIJLMKSKECDI-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413021067 295668820 /nfs/dbraw/zinc/66/88/20/295668820.db2.gz ARBGCBJSZBANON-UHFFFAOYSA-N 1 0 306.288 2.762 20 5 DFBDRO Cc1cc(NCCC[NH2+]Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000315867470 231145563 /nfs/dbraw/zinc/14/55/63/231145563.db2.gz AZHHFUYEDNABNJ-UHFFFAOYSA-N 1 0 300.362 2.890 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000317001692 231156797 /nfs/dbraw/zinc/15/67/97/231156797.db2.gz SYDINFWNXIUPPW-OCCSQVGLSA-N 1 0 307.369 2.793 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2ncccc12)C1CC1 ZINC000413119927 295678173 /nfs/dbraw/zinc/67/81/73/295678173.db2.gz APMGUGHCPOFGES-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189173 398352457 /nfs/dbraw/zinc/35/24/57/398352457.db2.gz GMOLRLRIZKEHLW-NEPJUHHUSA-N 1 0 320.393 2.760 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC[N@@H+]1C ZINC000591915869 398353304 /nfs/dbraw/zinc/35/33/04/398353304.db2.gz XQZSYDOBCVJMOF-YPMHNXCESA-N 1 0 304.394 2.763 20 5 DFBDRO COc1cc(N(C)CC[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000596197836 398354334 /nfs/dbraw/zinc/35/43/34/398354334.db2.gz XPPJLZFXXVKLLY-UHFFFAOYSA-N 1 0 313.785 2.787 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000081636489 398364776 /nfs/dbraw/zinc/36/47/76/398364776.db2.gz JESJSTGKODCMOW-CQSZACIVSA-N 1 0 321.396 2.898 20 5 DFBDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596244419 398366176 /nfs/dbraw/zinc/36/61/76/398366176.db2.gz QJLYKEWLIKEEEE-SMDDNHRTSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1NCCCCC[NH+]1CCCC1 ZINC000596245326 398366091 /nfs/dbraw/zinc/36/60/91/398366091.db2.gz WWAWGNRNMIGYLX-UHFFFAOYSA-N 1 0 312.801 2.743 20 5 DFBDRO C[NH+](C)CCNc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000008147768 398370723 /nfs/dbraw/zinc/37/07/23/398370723.db2.gz HRBOGAOOPPJNJN-UHFFFAOYSA-N 1 0 313.357 2.799 20 5 DFBDRO C[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)C[C@@H]1[NH+](C)C ZINC000413187267 295684311 /nfs/dbraw/zinc/68/43/11/295684311.db2.gz QZOTWCWLCFNMGO-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NCc1ccccc1C[NH+]1CCCC1 ZINC000008376568 398373022 /nfs/dbraw/zinc/37/30/22/398373022.db2.gz AUHHAINLCHUXGN-UHFFFAOYSA-N 1 0 315.377 2.536 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000089982309 185274166 /nfs/dbraw/zinc/27/41/66/185274166.db2.gz RHHZLRAGVPQBHI-UHFFFAOYSA-N 1 0 323.418 2.671 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)cccc1[N+](=O)[O-] ZINC000090454162 185297504 /nfs/dbraw/zinc/29/75/04/185297504.db2.gz GTSGYGJCMMKWDI-AAEUAGOBSA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc2ccccc2o1 ZINC000090539013 185301769 /nfs/dbraw/zinc/30/17/69/185301769.db2.gz MNRZPSQNDHYKFB-LLVKDONJSA-N 1 0 300.318 2.888 20 5 DFBDRO CC[C@@H](CCO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000166745476 197698044 /nfs/dbraw/zinc/69/80/44/197698044.db2.gz BUUOEOGDKLSUPP-XJKSGUPXSA-N 1 0 306.406 2.914 20 5 DFBDRO CC(C)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000090553856 185302923 /nfs/dbraw/zinc/30/29/23/185302923.db2.gz SMFTYROIIBDINZ-UHFFFAOYSA-N 1 0 307.394 2.800 20 5 DFBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559008 185303576 /nfs/dbraw/zinc/30/35/76/185303576.db2.gz PAWHPEWXVURYSP-DZGCQCFKSA-N 1 0 307.394 2.657 20 5 DFBDRO CS[C@@H](CO)[C@H](C)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000272824073 210223022 /nfs/dbraw/zinc/22/30/22/210223022.db2.gz JLMMGAYNWMFOIL-BONVTDFDSA-N 1 0 321.402 2.976 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1COc2ccccc2O1 ZINC000014925732 398391818 /nfs/dbraw/zinc/39/18/18/398391818.db2.gz CVZSLFVFCKCJKU-OAHLLOKOSA-N 1 0 314.341 2.867 20 5 DFBDRO CC1(C)CCC[C@@H]1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154399 398393908 /nfs/dbraw/zinc/39/39/08/398393908.db2.gz RQINLMVOEJFNQJ-UKRRQHHQSA-N 1 0 306.410 2.940 20 5 DFBDRO Cc1cccc(N[C@@H](C)CN(C)CCC[NH+](C)C)c1[N+](=O)[O-] ZINC000596361106 398394402 /nfs/dbraw/zinc/39/44/02/398394402.db2.gz IWPXYQWWICDSKA-AWEZNQCLSA-N 1 0 308.426 2.587 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000181410063 199292510 /nfs/dbraw/zinc/29/25/10/199292510.db2.gz IXWYIURSZSJCRV-NSHDSACASA-N 1 0 321.764 2.761 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248535073 398406783 /nfs/dbraw/zinc/40/67/83/398406783.db2.gz XBLBIDLBFJJAOK-UNEWFSDZSA-N 1 0 322.405 2.845 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[NH2+][C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000592244351 398406941 /nfs/dbraw/zinc/40/69/41/398406941.db2.gz BALIWGJDEYLZMJ-OAHLLOKOSA-N 1 0 319.405 2.788 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000592372812 398417276 /nfs/dbraw/zinc/41/72/76/398417276.db2.gz RMNAODXRGWPYNR-SECBINFHSA-N 1 0 318.320 2.993 20 5 DFBDRO CC[C@H]1CN(C(=O)c2cc(SC)ccc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592332305 398413305 /nfs/dbraw/zinc/41/33/05/398413305.db2.gz WAMPXGOLVAGUME-GWCFXTLKSA-N 1 0 323.418 2.516 20 5 DFBDRO C/C(=C\c1nc([C@@H]2CCC[NH2+]2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000592356892 398414610 /nfs/dbraw/zinc/41/46/10/398414610.db2.gz KZOBFXZUYVFBCC-LXKVQUBZSA-N 1 0 300.318 2.963 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCS[C@@H]1C ZINC000592400045 398421593 /nfs/dbraw/zinc/42/15/93/398421593.db2.gz PYYBZBUAQDJQKG-JTNHKYCSSA-N 1 0 323.418 2.796 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000596476466 398423439 /nfs/dbraw/zinc/42/34/39/398423439.db2.gz RHVBBUBDOBDGTG-ZDUSSCGKSA-N 1 0 320.393 2.837 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCCC[NH2+]C(C)C ZINC000592469012 398430437 /nfs/dbraw/zinc/43/04/37/398430437.db2.gz TZZQVQKBGUTONP-UHFFFAOYSA-N 1 0 307.394 2.638 20 5 DFBDRO CC(C)CC[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067377654 398431871 /nfs/dbraw/zinc/43/18/71/398431871.db2.gz QGROACNIUCVUGC-HNNXBMFYSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1ncsc1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000088606449 398439460 /nfs/dbraw/zinc/43/94/60/398439460.db2.gz IEWOCTYNHOTKQV-UHFFFAOYSA-N 1 0 303.387 2.961 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccco1 ZINC000026227524 398450542 /nfs/dbraw/zinc/45/05/42/398450542.db2.gz XNRMRVRWLWTACP-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO C[NH+]1CCC(CCNc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000295657828 530049039 /nfs/dbraw/zinc/04/90/39/530049039.db2.gz ZYECGDBQIKVUAS-UHFFFAOYSA-N 1 0 303.366 2.615 20 5 DFBDRO CCCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000026450438 398453853 /nfs/dbraw/zinc/45/38/53/398453853.db2.gz SBGOKEYQHRTGNF-UHFFFAOYSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCN2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046999 398475455 /nfs/dbraw/zinc/47/54/55/398475455.db2.gz KKZGMOUCKMSCOU-HIFRSBDPSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1c(F)cccc1Cl ZINC000181731904 199345347 /nfs/dbraw/zinc/34/53/47/199345347.db2.gz YQHDUPQFGMBMEX-SECBINFHSA-N 1 0 312.732 2.935 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592802787 398487360 /nfs/dbraw/zinc/48/73/60/398487360.db2.gz GQFRMITUGTWTTQ-DGCLKSJQSA-N 1 0 320.393 2.694 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000588231726 398490967 /nfs/dbraw/zinc/49/09/67/398490967.db2.gz YDTJOUKRTJHRCD-WZRBSPASSA-N 1 0 309.341 2.792 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CCNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000459518963 299123838 /nfs/dbraw/zinc/12/38/38/299123838.db2.gz HAWNQYGMWIELKO-NSHDSACASA-N 1 0 324.356 2.587 20 5 DFBDRO COC[C@@H](Cc1ccccc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910062 398497333 /nfs/dbraw/zinc/49/73/33/398497333.db2.gz KRZKRQKMJPRQKJ-QGZVFWFLSA-N 1 0 314.385 2.985 20 5 DFBDRO Cc1ncc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000090909876 398497436 /nfs/dbraw/zinc/49/74/36/398497436.db2.gz OKUYSSYTKKGDPD-NSHDSACASA-N 1 0 300.362 2.895 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)[C@@H]1SC ZINC000459530351 299126665 /nfs/dbraw/zinc/12/66/65/299126665.db2.gz RZRQYVKDAAQNAT-CFVMTHIKSA-N 1 0 310.419 2.902 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000068443472 398504453 /nfs/dbraw/zinc/50/44/53/398504453.db2.gz SPLKOMIZZHRYAW-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO C[NH+](C)CCOc1cccc(-c2cc(CO)cc([N+](=O)[O-])c2)c1 ZINC000592985486 398514274 /nfs/dbraw/zinc/51/42/74/398514274.db2.gz YLFGWUFZKIFFHP-UHFFFAOYSA-N 1 0 316.357 2.695 20 5 DFBDRO CC(C)[NH+](CCNC(=O)NCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000067725304 282482305 /nfs/dbraw/zinc/48/23/05/282482305.db2.gz CMJBRBWTSMQVQS-UHFFFAOYSA-N 1 0 322.409 2.513 20 5 DFBDRO O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000314337315 398519512 /nfs/dbraw/zinc/51/95/12/398519512.db2.gz MEKSXOYDIXQLIZ-LLVKDONJSA-N 1 0 323.780 2.653 20 5 DFBDRO Cc1cncc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000593031208 398524862 /nfs/dbraw/zinc/52/48/62/398524862.db2.gz XMNRSCIHTBRLKE-UHFFFAOYSA-N 1 0 300.362 2.761 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000589111375 398527528 /nfs/dbraw/zinc/52/75/28/398527528.db2.gz GLZVELNIIJJZMY-NSHDSACASA-N 1 0 312.801 2.811 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000593053646 398532501 /nfs/dbraw/zinc/53/25/01/398532501.db2.gz JXOYVGOXYJTCMZ-HNNXBMFYSA-N 1 0 308.378 2.993 20 5 DFBDRO CC[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000317052786 398533398 /nfs/dbraw/zinc/53/33/98/398533398.db2.gz UBYWTQHLZNYMIA-AAEUAGOBSA-N 1 0 300.362 2.707 20 5 DFBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCn2ccnc2C1 ZINC000589201736 398537273 /nfs/dbraw/zinc/53/72/73/398537273.db2.gz FICHHGAHQXEXGB-GFCCVEGCSA-N 1 0 318.352 2.625 20 5 DFBDRO Cn1cnc(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000414120132 295769216 /nfs/dbraw/zinc/76/92/16/295769216.db2.gz ASXSQZRPYZBRKQ-INIZCTEOSA-N 1 0 314.389 2.883 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN(Cc1cnn2c1CCC2)C1CC1 ZINC000596979725 398539640 /nfs/dbraw/zinc/53/96/40/398539640.db2.gz MPEWDTUZMWBUPX-UHFFFAOYSA-N 1 0 312.373 2.902 20 5 DFBDRO Cc1cc(C)n(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000319742873 398543786 /nfs/dbraw/zinc/54/37/86/398543786.db2.gz XJUZOIFPHYVKBO-UHFFFAOYSA-N 1 0 302.378 2.631 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000069083425 398546719 /nfs/dbraw/zinc/54/67/19/398546719.db2.gz POXYGCGSNUREAL-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1cnn(CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000123947032 185859938 /nfs/dbraw/zinc/85/99/38/185859938.db2.gz PCUSHYQIJUQKDZ-INIZCTEOSA-N 1 0 314.389 2.711 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[NH+]1CCCCC1 ZINC000593112572 398548749 /nfs/dbraw/zinc/54/87/49/398548749.db2.gz PLSGPDSLCBLRBG-UHFFFAOYSA-N 1 0 307.394 2.521 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279763467 215125053 /nfs/dbraw/zinc/12/50/53/215125053.db2.gz AUMRGRPYNCJGKM-UHFFFAOYSA-N 1 0 323.780 2.548 20 5 DFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C1CC1 ZINC000593128291 398553160 /nfs/dbraw/zinc/55/31/60/398553160.db2.gz DSWLADOBIFULMF-TUKIKUTGSA-N 1 0 318.373 2.787 20 5 DFBDRO C[NH+](C)C1(CNc2ncnc3ccc([N+](=O)[O-])cc32)CCCC1 ZINC000322354195 398557193 /nfs/dbraw/zinc/55/71/93/398557193.db2.gz IQVCJFZVYLHAEC-UHFFFAOYSA-N 1 0 315.377 2.824 20 5 DFBDRO Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)cc1[N+](=O)[O-] ZINC000041670717 398571441 /nfs/dbraw/zinc/57/14/41/398571441.db2.gz UHADCOJJFVVNDJ-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000593229633 398576099 /nfs/dbraw/zinc/57/60/99/398576099.db2.gz NZMZJIDVRXVMLT-BETUJISGSA-N 1 0 312.373 2.579 20 5 DFBDRO CC[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[C@@H]1[NH3+] ZINC000593229209 398576148 /nfs/dbraw/zinc/57/61/48/398576148.db2.gz HVLSDUBYZXMVJL-FZMZJTMJSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1c(NCCC2CC[NH2+]CC2)ccc2ncccc21 ZINC000593233213 398576988 /nfs/dbraw/zinc/57/69/88/398576988.db2.gz LZPAMZAKPCJZDZ-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO Cc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)nn1 ZINC000414359742 295792280 /nfs/dbraw/zinc/79/22/80/295792280.db2.gz PFFMDUXKDFBVRM-UHFFFAOYSA-N 1 0 300.362 2.806 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000593234399 398577748 /nfs/dbraw/zinc/57/77/48/398577748.db2.gz XLJNIOPPKQUIBF-LZWOXQAQSA-N 1 0 319.405 2.626 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000279939155 215254761 /nfs/dbraw/zinc/25/47/61/215254761.db2.gz XEWYCLWMIISWTR-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589938405 398584135 /nfs/dbraw/zinc/58/41/35/398584135.db2.gz QKFGAVYBGIAUCY-DGCLKSJQSA-N 1 0 318.295 2.839 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000589939092 398584186 /nfs/dbraw/zinc/58/41/86/398584186.db2.gz OUZBJOAEJSZARB-ZYHUDNBSSA-N 1 0 304.268 2.530 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000589939141 398584212 /nfs/dbraw/zinc/58/42/12/398584212.db2.gz UBOJQGDPTBJQEL-ZYHUDNBSSA-N 1 0 304.268 2.530 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000589939138 398584297 /nfs/dbraw/zinc/58/42/97/398584297.db2.gz UBOJQGDPTBJQEL-JQWIXIFHSA-N 1 0 304.268 2.530 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000589938407 398584406 /nfs/dbraw/zinc/58/44/06/398584406.db2.gz QKFGAVYBGIAUCY-WCQYABFASA-N 1 0 318.295 2.839 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000277339736 213456204 /nfs/dbraw/zinc/45/62/04/213456204.db2.gz FHFVIDRHENEMAH-IUODEOHRSA-N 1 0 308.378 2.897 20 5 DFBDRO CN1CC(C[N@H+](C)Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000597202490 398589560 /nfs/dbraw/zinc/58/95/60/398589560.db2.gz CSOYKUDIERBSDU-UHFFFAOYSA-N 1 0 315.373 2.848 20 5 DFBDRO CCOc1cc(N2CCC[N@@H+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000092649627 398589659 /nfs/dbraw/zinc/58/96/59/398589659.db2.gz MKGCJKCTDDYJJE-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H](C)C(O)[C@@H](C)C1 ZINC000597207524 398590449 /nfs/dbraw/zinc/59/04/49/398590449.db2.gz YYPZBBLPJMCNBU-LORPEKBOSA-N 1 0 304.390 2.947 20 5 DFBDRO CCOc1cc(N2CCC([NH2+]C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000092686254 398594894 /nfs/dbraw/zinc/59/48/94/398594894.db2.gz OGAHHMMXPUPHRP-UHFFFAOYSA-N 1 0 305.378 2.714 20 5 DFBDRO CC[N@H+]1C[C@H](Nc2ccnc3c2cccc3[N+](=O)[O-])[C@@H](C)C1 ZINC000590083192 398594313 /nfs/dbraw/zinc/59/43/13/398594313.db2.gz DXXOMLZKJFYPGV-FZMZJTMJSA-N 1 0 300.362 2.895 20 5 DFBDRO CCc1nn(C)c(NC[C@@H](c2cccs2)[NH+](C)C)c1[N+](=O)[O-] ZINC000092826929 398601991 /nfs/dbraw/zinc/60/19/91/398601991.db2.gz CEADCMVELZXYCT-NSHDSACASA-N 1 0 323.422 2.667 20 5 DFBDRO CSc1ccc(C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)cc1[N+](=O)[O-] ZINC000590340784 398615587 /nfs/dbraw/zinc/61/55/87/398615587.db2.gz SYBWEMKUYPNUBR-JQWIXIFHSA-N 1 0 323.418 2.529 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000072697578 398630825 /nfs/dbraw/zinc/63/08/25/398630825.db2.gz IYIUWXWDHTUKBH-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)cc1[N+](=O)[O-] ZINC000106469336 282696666 /nfs/dbraw/zinc/69/66/66/282696666.db2.gz KXHBEFGMEAUMIB-HNNXBMFYSA-N 1 0 308.378 2.634 20 5 DFBDRO CCOc1cc(N2CCC3(C2)CC[NH+](C)CC3)ccc1[N+](=O)[O-] ZINC000590567986 398631823 /nfs/dbraw/zinc/63/18/23/398631823.db2.gz RZACQFWGSVROOA-UHFFFAOYSA-N 1 0 319.405 2.916 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)N(C)C)cc1[N+](=O)[O-] ZINC000152557781 186084980 /nfs/dbraw/zinc/08/49/80/186084980.db2.gz BDAAPEZMKYHPCM-GFCCVEGCSA-N 1 0 309.410 2.984 20 5 DFBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])nc1)Cc1ccccc1 ZINC000072751808 398634668 /nfs/dbraw/zinc/63/46/68/398634668.db2.gz TZCPTUOKOKGVDV-UHFFFAOYSA-N 1 0 300.362 2.924 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000593468372 398638747 /nfs/dbraw/zinc/63/87/47/398638747.db2.gz FKKKSSAMBQXFNB-PXAZEXFGSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593470110 398639484 /nfs/dbraw/zinc/63/94/84/398639484.db2.gz PSHYZJPFOZZWDX-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)C[N@H+](C)CCCNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000593481258 398641630 /nfs/dbraw/zinc/64/16/30/398641630.db2.gz ZLBVYOCRBMGTFA-UHFFFAOYSA-N 1 0 306.410 2.953 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C)C1 ZINC000593476756 398640078 /nfs/dbraw/zinc/64/00/78/398640078.db2.gz YZNXGLWKHYQBAN-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[N@H+](CCCNc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000593489409 398644338 /nfs/dbraw/zinc/64/43/38/398644338.db2.gz TWHXLPNTCYJYTI-UHFFFAOYSA-N 1 0 309.414 2.785 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c(Br)c1 ZINC000044493462 398645866 /nfs/dbraw/zinc/64/58/66/398645866.db2.gz ACESPQULSRTBNG-VIFPVBQESA-N 1 0 314.183 2.911 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1=CCCCC1)OCCO2 ZINC000590655203 398646502 /nfs/dbraw/zinc/64/65/02/398646502.db2.gz QDPZOTDDIDGERY-UHFFFAOYSA-N 1 0 304.346 2.956 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189950754 186254228 /nfs/dbraw/zinc/25/42/28/186254228.db2.gz JPTPQABYMFRZOB-WFASDCNBSA-N 1 0 308.378 2.634 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@H+]1C[C@@H]3CCCC[C@@H]3C1)OCCO2 ZINC000590659222 398647919 /nfs/dbraw/zinc/64/79/19/398647919.db2.gz GWACTSLNFYOQFS-BETUJISGSA-N 1 0 318.373 2.988 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000287190140 219370001 /nfs/dbraw/zinc/37/00/01/219370001.db2.gz HPMKPFZPZKFIRW-UHFFFAOYSA-N 1 0 311.407 2.604 20 5 DFBDRO CC(C)C[C@@H]([NH3+])CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414701046 295817531 /nfs/dbraw/zinc/81/75/31/295817531.db2.gz KQJDJAKSKQNMDR-CQSZACIVSA-N 1 0 321.421 2.811 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@H]3CC[NH2+]C3)s2)cc1 ZINC000414881491 295829559 /nfs/dbraw/zinc/82/95/59/295829559.db2.gz LAKBEXUKKRQZDU-LBPRGKRZSA-N 1 0 303.387 2.775 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000172265001 198067898 /nfs/dbraw/zinc/06/78/98/198067898.db2.gz KZVZTVKOSMMBOB-LLVKDONJSA-N 1 0 313.423 2.753 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2c(c1)COCO2 ZINC000459759122 299183644 /nfs/dbraw/zinc/18/36/44/299183644.db2.gz LVOZOOXWUJIQEG-ONERCXAPSA-N 1 0 304.346 2.740 20 5 DFBDRO CC1(C)CCC[NH2+][C@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414920888 295835348 /nfs/dbraw/zinc/83/53/48/295835348.db2.gz AKMFVMURPXJJJX-SBSDFTTDSA-N 1 0 303.406 2.976 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925432 295836039 /nfs/dbraw/zinc/83/60/39/295836039.db2.gz JPHAQEAIOUWESG-SWLSCSKDSA-N 1 0 315.373 2.942 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000459768785 299186336 /nfs/dbraw/zinc/18/63/36/299186336.db2.gz QSIFNDBUEVHXGO-LSDHHAIUSA-N 1 0 306.362 2.521 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072492458 191182523 /nfs/dbraw/zinc/18/25/23/191182523.db2.gz RTGJNVWKQXHBDM-GFCCVEGCSA-N 1 0 305.378 2.562 20 5 DFBDRO COCC[NH2+]C1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593728449 398677916 /nfs/dbraw/zinc/67/79/16/398677916.db2.gz HVXBYPMBUBOOSU-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO CC(C)C1CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000072717521 191222016 /nfs/dbraw/zinc/22/20/16/191222016.db2.gz YIZHDCGXCYLXPK-UHFFFAOYSA-N 1 0 305.378 2.562 20 5 DFBDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597698673 398682011 /nfs/dbraw/zinc/68/20/11/398682011.db2.gz HHSUIYMNSBLWNM-GWCFXTLKSA-N 1 0 317.345 2.506 20 5 DFBDRO CC(C)CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045751851 398682363 /nfs/dbraw/zinc/68/23/63/398682363.db2.gz ZRJQHLCTVLZICK-INIZCTEOSA-N 1 0 322.405 2.845 20 5 DFBDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000173406419 198211204 /nfs/dbraw/zinc/21/12/04/198211204.db2.gz RXQSDUFIYXGCCS-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000073779132 398700069 /nfs/dbraw/zinc/70/00/69/398700069.db2.gz MICXKHSJGUSVHZ-SECBINFHSA-N 1 0 311.769 2.917 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000174361825 198324857 /nfs/dbraw/zinc/32/48/57/198324857.db2.gz KBRZQQYNCZNHQP-IUODEOHRSA-N 1 0 320.393 2.789 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000593915730 398703141 /nfs/dbraw/zinc/70/31/41/398703141.db2.gz KLLDBXUTIAZDBS-WFASDCNBSA-N 1 0 319.405 2.747 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000597861892 398706035 /nfs/dbraw/zinc/70/60/35/398706035.db2.gz XUSWEMPVYDOOIH-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277060987 213270298 /nfs/dbraw/zinc/27/02/98/213270298.db2.gz HYEXGTFFLZYIBN-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCCC1 ZINC000074042839 398719251 /nfs/dbraw/zinc/71/92/51/398719251.db2.gz RDOMPSLCDHWNSY-ZDUSSCGKSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415298442 295875890 /nfs/dbraw/zinc/87/58/90/295875890.db2.gz OYNASWVFLYYLKA-NSHDSACASA-N 1 0 308.382 2.851 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000597921504 398721260 /nfs/dbraw/zinc/72/12/60/398721260.db2.gz GGQZSVMLGOHLJG-CQSZACIVSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277040841 213256551 /nfs/dbraw/zinc/25/65/51/213256551.db2.gz GDRFRWBUGMSDTQ-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000415416302 295882329 /nfs/dbraw/zinc/88/23/29/295882329.db2.gz KEBCLHHPDDQFRE-NEPJUHHUSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000415477499 295885834 /nfs/dbraw/zinc/88/58/34/295885834.db2.gz BICUSDKBUWNKNH-BMIGLBTASA-N 1 0 320.393 2.803 20 5 DFBDRO COc1ccc(OCC[NH2+][C@H]2CCCC[C@@H]2OC)c([N+](=O)[O-])c1 ZINC000277002990 213232969 /nfs/dbraw/zinc/23/29/69/213232969.db2.gz OPHWYCOIONPKSN-ZFWWWQNUSA-N 1 0 324.377 2.529 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000415490450 295887399 /nfs/dbraw/zinc/88/73/99/295887399.db2.gz YPBIYGAGSATAGR-LBPRGKRZSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415499704 295888166 /nfs/dbraw/zinc/88/81/66/295888166.db2.gz KMSXROYQOVSWNU-BXUZGUMPSA-N 1 0 306.366 2.542 20 5 DFBDRO Cc1cccc(C(=O)NC2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000130492528 283050940 /nfs/dbraw/zinc/05/09/40/283050940.db2.gz SJEJJEGAAWTJHX-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594041537 398729083 /nfs/dbraw/zinc/72/90/83/398729083.db2.gz FHTYAZOUSGACAE-HZPDHXFCSA-N 1 0 308.378 2.911 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000046990011 398729450 /nfs/dbraw/zinc/72/94/50/398729450.db2.gz BGNRSSUILNOSKP-AWEZNQCLSA-N 1 0 319.405 2.979 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415579800 295891949 /nfs/dbraw/zinc/89/19/49/295891949.db2.gz KQMISCKVDNCNLZ-GXFFZTMASA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000415582947 295892036 /nfs/dbraw/zinc/89/20/36/295892036.db2.gz QCONYLFOIKDYRR-UHFFFAOYSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415584490 295892068 /nfs/dbraw/zinc/89/20/68/295892068.db2.gz SRMQMKSAGKBLLZ-OAHLLOKOSA-N 1 0 308.382 2.707 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000591140035 398731131 /nfs/dbraw/zinc/73/11/31/398731131.db2.gz OCRDBCFYHWFGRG-RYUDHWBXSA-N 1 0 310.373 2.909 20 5 DFBDRO Cc1c(C[N@H+](CCO)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000112698760 398735990 /nfs/dbraw/zinc/73/59/90/398735990.db2.gz RIPBVGKOFYMYAK-UHFFFAOYSA-N 1 0 314.385 2.940 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)cc1 ZINC000074313725 398738366 /nfs/dbraw/zinc/73/83/66/398738366.db2.gz AQFBJOVDNMSBMG-UHFFFAOYSA-N 1 0 323.356 2.524 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000112968794 398737687 /nfs/dbraw/zinc/73/76/87/398737687.db2.gz IXKULTFPSIGXIB-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000074318320 398739992 /nfs/dbraw/zinc/73/99/92/398739992.db2.gz HBCCRLLSUDUMGU-LLVKDONJSA-N 1 0 305.378 2.508 20 5 DFBDRO C[C@](CO)([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000133042179 283138210 /nfs/dbraw/zinc/13/82/10/283138210.db2.gz ZFWMOXXFWLBMFP-QGZVFWFLSA-N 1 0 322.405 2.895 20 5 DFBDRO Cc1cc(N2CCC(C)([NH3+])CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000591434360 398759940 /nfs/dbraw/zinc/75/99/40/398759940.db2.gz BLHPULQMSVTPRP-UHFFFAOYSA-N 1 0 300.362 2.769 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[NH2+]1 ZINC000591434415 398760025 /nfs/dbraw/zinc/76/00/25/398760025.db2.gz GFBOIQLETWZFRD-CYBMUJFWSA-N 1 0 300.362 2.577 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591434929 398760365 /nfs/dbraw/zinc/76/03/65/398760365.db2.gz NDMFIMJBRNFWJH-FPMFFAJLSA-N 1 0 312.373 2.625 20 5 DFBDRO CC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591439835 398760970 /nfs/dbraw/zinc/76/09/70/398760970.db2.gz YQOANRDINTXWRX-BXUZGUMPSA-N 1 0 300.362 2.707 20 5 DFBDRO COc1cc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)ccc1O ZINC000080847456 192195348 /nfs/dbraw/zinc/19/53/48/192195348.db2.gz COSOUMPIXWVIBT-UHFFFAOYSA-N 1 0 302.330 2.941 20 5 DFBDRO Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074764979 398765045 /nfs/dbraw/zinc/76/50/45/398765045.db2.gz RRZCNHMAXRKZHX-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000269353911 283163582 /nfs/dbraw/zinc/16/35/82/283163582.db2.gz GVQMCCFFIILNGM-PWSUYJOCSA-N 1 0 310.785 2.564 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598217743 398772631 /nfs/dbraw/zinc/77/26/31/398772631.db2.gz AVCMLQLALWMGLB-GFCCVEGCSA-N 1 0 323.418 2.793 20 5 DFBDRO CCOC[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000081521005 192281276 /nfs/dbraw/zinc/28/12/76/192281276.db2.gz JVLYHISWLUEYRD-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577863 398773182 /nfs/dbraw/zinc/77/31/82/398773182.db2.gz JUQXSTKUBMSHRL-JSGCOSHPSA-N 1 0 307.394 2.786 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H](NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000591578040 398773237 /nfs/dbraw/zinc/77/32/37/398773237.db2.gz PAYLWBHBHNJPBI-CVEARBPZSA-N 1 0 303.406 2.648 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000591651630 398778367 /nfs/dbraw/zinc/77/83/67/398778367.db2.gz CKSKWDYIUUBCMO-ZDUSSCGKSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591651812 398778562 /nfs/dbraw/zinc/77/85/62/398778562.db2.gz WZESQGVKJBNQGS-CYBMUJFWSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc([N+](=O)[O-])c1 ZINC000598260329 398779461 /nfs/dbraw/zinc/77/94/61/398779461.db2.gz AUOOGASVNAQVQN-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000591761293 398784905 /nfs/dbraw/zinc/78/49/05/398784905.db2.gz HBLDDWSRTSJQOY-SWLSCSKDSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000594389771 398791254 /nfs/dbraw/zinc/79/12/54/398791254.db2.gz MXEDSPPENOZAAR-UHFFFAOYSA-N 1 0 311.407 2.603 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000122523838 398792126 /nfs/dbraw/zinc/79/21/26/398792126.db2.gz IDSVKJCCRVIZAL-SECBINFHSA-N 1 0 315.167 2.736 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)ccc1[N+](=O)[O-] ZINC000276929719 213181834 /nfs/dbraw/zinc/18/18/34/213181834.db2.gz QOXSMUFHDWMAES-HDJSIYSDSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(C[N@H+](CC(C)(C)O)C2CC2)ccc1[N+](=O)[O-] ZINC000276888821 213156858 /nfs/dbraw/zinc/15/68/58/213156858.db2.gz JXEYGPIQQQOYKP-UHFFFAOYSA-N 1 0 308.378 2.729 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000178240265 198837238 /nfs/dbraw/zinc/83/72/38/198837238.db2.gz YCCVZFNBVZLYFP-AWEZNQCLSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)cc1[N+](=O)[O-] ZINC000178598739 198894454 /nfs/dbraw/zinc/89/44/54/198894454.db2.gz KRPJSCYIICVSIB-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)cccc1[N+](=O)[O-] ZINC000178599365 198894501 /nfs/dbraw/zinc/89/45/01/198894501.db2.gz SUINDMACPHAJGB-CQSZACIVSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178656097 198905458 /nfs/dbraw/zinc/90/54/58/198905458.db2.gz SHQCISWDZKIQAT-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000151013323 283273714 /nfs/dbraw/zinc/27/37/14/283273714.db2.gz YHZBLKHLMXXHKY-LBPRGKRZSA-N 1 0 305.378 2.694 20 5 DFBDRO CC[C@@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000594445759 398804852 /nfs/dbraw/zinc/80/48/52/398804852.db2.gz LLRFRXYJVXZBSD-IUODEOHRSA-N 1 0 305.378 2.552 20 5 DFBDRO C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000179021656 198969825 /nfs/dbraw/zinc/96/98/25/198969825.db2.gz XEHUJPCPDCIWFI-GFCCVEGCSA-N 1 0 319.405 2.574 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151447966 283284985 /nfs/dbraw/zinc/28/49/85/283284985.db2.gz VOPNMJZEMKMINQ-HOTGVXAUSA-N 1 0 310.394 2.669 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075609108 398812604 /nfs/dbraw/zinc/81/26/04/398812604.db2.gz DHBACOQYYJFXIC-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO COc1cc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1OC ZINC000179535984 199051652 /nfs/dbraw/zinc/05/16/52/199051652.db2.gz WDTSRKIJDJBQJW-GFCCVEGCSA-N 1 0 323.393 2.756 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075676440 398816716 /nfs/dbraw/zinc/81/67/16/398816716.db2.gz SKDYZYTXUDDVIH-KBPBESRZSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(N2CCCC2=O)CC1 ZINC000075717423 398818988 /nfs/dbraw/zinc/81/89/88/398818988.db2.gz WUELLABQVHDBRW-ZDUSSCGKSA-N 1 0 317.389 2.743 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075768942 398821762 /nfs/dbraw/zinc/82/17/62/398821762.db2.gz ZOHAFPOHJZCLHR-UNEWFSDZSA-N 1 0 320.389 2.599 20 5 DFBDRO O=[N+]([O-])c1c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nc2sccn21 ZINC000594598034 398827778 /nfs/dbraw/zinc/82/77/78/398827778.db2.gz FYSRZGLFXOUPRT-WDEREUQCSA-N 1 0 321.406 2.733 20 5 DFBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCO1 ZINC000051554748 398823933 /nfs/dbraw/zinc/82/39/33/398823933.db2.gz PPUAHHTYJMWKHO-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594592266 398825710 /nfs/dbraw/zinc/82/57/10/398825710.db2.gz OXNLCNKKVNVUTD-MELADBBJSA-N 1 0 322.409 2.516 20 5 DFBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000594591155 398825863 /nfs/dbraw/zinc/82/58/63/398825863.db2.gz FXUFSAGXBFSEMR-DTORHVGOSA-N 1 0 318.299 2.761 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCn2ccnc2C1 ZINC000594615325 398833790 /nfs/dbraw/zinc/83/37/90/398833790.db2.gz SLCKJVKZYHKSAM-DOMZBBRYSA-N 1 0 312.373 2.631 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000594693793 398844199 /nfs/dbraw/zinc/84/41/99/398844199.db2.gz URQCGVBURNCIAM-OAHLLOKOSA-N 1 0 318.421 2.823 20 5 DFBDRO Cc1cc(N2CC[C@@H](C)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000598633540 398844268 /nfs/dbraw/zinc/84/42/68/398844268.db2.gz BGVOWMSMKJWOEQ-DGCLKSJQSA-N 1 0 315.373 2.906 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC([C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000594698118 398844697 /nfs/dbraw/zinc/84/46/97/398844697.db2.gz WFENTIVCNQOCLA-LBPRGKRZSA-N 1 0 324.812 2.859 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000076177926 398846201 /nfs/dbraw/zinc/84/62/01/398846201.db2.gz MGLQLOIJDWLXHE-UHFFFAOYSA-N 1 0 306.362 2.606 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000598647134 398846806 /nfs/dbraw/zinc/84/68/06/398846806.db2.gz BWWXKTTXJCMLQE-UKRRQHHQSA-N 1 0 322.405 2.832 20 5 DFBDRO COc1cc(C[NH2+]CC[C@@H]2CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000598645974 398846985 /nfs/dbraw/zinc/84/69/85/398846985.db2.gz BBXIADXUBXUXEO-SNVBAGLBSA-N 1 0 316.304 2.747 20 5 DFBDRO COc1cc(C[N@@H+]2CC(C)(C)CC[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000598648789 398847781 /nfs/dbraw/zinc/84/77/81/398847781.db2.gz SFVFUEPPSXIHGT-CYBMUJFWSA-N 1 0 308.378 2.586 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000598663978 398850481 /nfs/dbraw/zinc/85/04/81/398850481.db2.gz DMHIFIGGTNXOTK-UONOGXRCSA-N 1 0 319.405 2.860 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@H]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435618 199158737 /nfs/dbraw/zinc/15/87/37/199158737.db2.gz AYDPCRNKRYXPBX-WWGRRREGSA-N 1 0 319.405 2.940 20 5 DFBDRO O=C(CC[NH2+]CC[C@H]1CC1(F)F)Nc1ccccc1[N+](=O)[O-] ZINC000598728335 398863176 /nfs/dbraw/zinc/86/31/76/398863176.db2.gz BAXLGZRVDSVDSI-JTQLQIEISA-N 1 0 313.304 2.558 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)CCN1c1ccc([N+](=O)[O-])cn1 ZINC000076691207 398865255 /nfs/dbraw/zinc/86/52/55/398865255.db2.gz NLPWIEDXIHRPAK-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCC(C)C ZINC000053361036 398869921 /nfs/dbraw/zinc/86/99/21/398869921.db2.gz JYTVVLNMVASOKS-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000053391575 398871414 /nfs/dbraw/zinc/87/14/14/398871414.db2.gz LAZKLRBETGLXAP-ZDUSSCGKSA-N 1 0 319.405 2.835 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)c1cccc([N+](=O)[O-])c1 ZINC000594938568 398877207 /nfs/dbraw/zinc/87/72/07/398877207.db2.gz LOKXMKNMPDPZKE-KAOXEZKKSA-N 1 0 306.362 2.833 20 5 DFBDRO CC[C@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CO1 ZINC000594959685 398881759 /nfs/dbraw/zinc/88/17/59/398881759.db2.gz XBKPTEZTTFNWNG-JSGCOSHPSA-N 1 0 303.362 2.776 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000276622813 213006832 /nfs/dbraw/zinc/00/68/32/213006832.db2.gz NDEAKXDVYLQOPU-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO COC[C@@H](CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000594956725 398880825 /nfs/dbraw/zinc/88/08/25/398880825.db2.gz ZRJUKANRTQFMPA-LRFDDAOPSA-N 1 0 308.378 2.639 20 5 DFBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000594955573 398880907 /nfs/dbraw/zinc/88/09/07/398880907.db2.gz CARTWUADQMJTSF-ZDUSSCGKSA-N 1 0 324.377 2.604 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CO1 ZINC000594969568 398883998 /nfs/dbraw/zinc/88/39/98/398883998.db2.gz XCCRJDLJLJGTEU-SNVBAGLBSA-N 1 0 316.304 2.853 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000053778426 398881993 /nfs/dbraw/zinc/88/19/93/398881993.db2.gz RRBBOPCEDDKHNK-CQSZACIVSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594961518 398882449 /nfs/dbraw/zinc/88/24/49/398882449.db2.gz ODCMNNBDILWYGE-MFLXSWDHSA-N 1 0 310.419 2.683 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CC(N)=O)CCCCC1 ZINC000595001742 398889612 /nfs/dbraw/zinc/88/96/12/398889612.db2.gz WWKCCBLSMYSXBD-UHFFFAOYSA-N 1 0 319.405 2.819 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000595003003 398889496 /nfs/dbraw/zinc/88/94/96/398889496.db2.gz AVVQGTCBASEOTA-CYBMUJFWSA-N 1 0 307.394 2.740 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccccn1 ZINC000595005186 398890225 /nfs/dbraw/zinc/89/02/25/398890225.db2.gz AFNXWXIFJARBBU-LBPRGKRZSA-N 1 0 301.346 2.892 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000173437306 283388607 /nfs/dbraw/zinc/38/86/07/283388607.db2.gz JXQOZGPLJSBWFJ-KBPBESRZSA-N 1 0 308.378 2.689 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000598917061 398892980 /nfs/dbraw/zinc/89/29/80/398892980.db2.gz UGEZLEIVVMTVQM-SNVBAGLBSA-N 1 0 322.340 2.530 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000598915494 398892983 /nfs/dbraw/zinc/89/29/83/398892983.db2.gz MYJARCWMTYGTIK-SWLSCSKDSA-N 1 0 318.377 2.591 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000595033390 398894718 /nfs/dbraw/zinc/89/47/18/398894718.db2.gz PRKZEMILAQQDEN-HUBLWGQQSA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000186256345 199934497 /nfs/dbraw/zinc/93/44/97/199934497.db2.gz RBOCCPFWMFDDQI-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO CC[N@H+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595045200 398897276 /nfs/dbraw/zinc/89/72/76/398897276.db2.gz YGWVJUXCKNXGPT-LBPRGKRZSA-N 1 0 307.394 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCc1cnn(C)c1 ZINC000595045186 398897398 /nfs/dbraw/zinc/89/73/98/398897398.db2.gz YGRIBZOTFDYVSH-GFCCVEGCSA-N 1 0 318.377 2.620 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000595049968 398898446 /nfs/dbraw/zinc/89/84/46/398898446.db2.gz DPXFQAPUWHZELE-NEPJUHHUSA-N 1 0 318.377 2.619 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595060310 398899892 /nfs/dbraw/zinc/89/98/92/398899892.db2.gz GNCSMDOXYGOREF-GUDXXQAFSA-N 1 0 322.405 2.812 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595062846 398900567 /nfs/dbraw/zinc/90/05/67/398900567.db2.gz WQIWDAXCJJCFON-BPUTZDHNSA-N 1 0 308.378 2.687 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000089580718 192821053 /nfs/dbraw/zinc/82/10/53/192821053.db2.gz MHOGSFINAIKERU-CQSZACIVSA-N 1 0 308.378 2.909 20 5 DFBDRO C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000595063225 398900689 /nfs/dbraw/zinc/90/06/89/398900689.db2.gz WGEQGOOWQAKYMU-HPZDSLGSSA-N 1 0 322.430 2.861 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000595066387 398901401 /nfs/dbraw/zinc/90/14/01/398901401.db2.gz WSCUMFQIBPWSSC-PPCJFCATSA-N 1 0 310.419 2.935 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000595065701 398901413 /nfs/dbraw/zinc/90/14/13/398901413.db2.gz JWFARWARWRDJRB-WBMJQRKESA-N 1 0 308.378 2.687 20 5 DFBDRO COC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCOCC1 ZINC000595071064 398901728 /nfs/dbraw/zinc/90/17/28/398901728.db2.gz NVVBXXZLBZYQNE-HOTGVXAUSA-N 1 0 320.389 2.613 20 5 DFBDRO CCCN1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094131 398904789 /nfs/dbraw/zinc/90/47/89/398904789.db2.gz DOENBEARLUDXNF-IRXDYDNUSA-N 1 0 317.433 2.990 20 5 DFBDRO COC(=O)[C@H](C)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174038 299293372 /nfs/dbraw/zinc/29/33/72/299293372.db2.gz HMFCAQYDDAHWHN-YQCJOKCJSA-N 1 0 306.362 2.739 20 5 DFBDRO CN1C(=O)c2ccccc2[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000599001204 398906486 /nfs/dbraw/zinc/90/64/86/398906486.db2.gz ZYDLIEYKVRRPFG-CYBMUJFWSA-N 1 0 317.370 2.573 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470174037 299293211 /nfs/dbraw/zinc/29/32/11/299293211.db2.gz HMFCAQYDDAHWHN-RPHSKFLZSA-N 1 0 306.362 2.739 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC(CO)C1 ZINC000595105089 398906057 /nfs/dbraw/zinc/90/60/57/398906057.db2.gz XFQQKSNOGNZFTE-OTTFEQOBSA-N 1 0 310.419 2.826 20 5 DFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187248499 200083205 /nfs/dbraw/zinc/08/32/05/200083205.db2.gz CKDCWFNBQHWYHO-IAQYHMDHSA-N 1 0 317.345 2.609 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000599022409 398909310 /nfs/dbraw/zinc/90/93/10/398909310.db2.gz MOKPDIJSBFKDSF-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO COC(=O)CC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000599036825 398910884 /nfs/dbraw/zinc/91/08/84/398910884.db2.gz WBTIHHRIIRAMHM-UHFFFAOYSA-N 1 0 306.362 2.806 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599039282 398911317 /nfs/dbraw/zinc/91/13/17/398911317.db2.gz RCJBWMLXJKONTI-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225804 398911520 /nfs/dbraw/zinc/91/15/20/398911520.db2.gz OSPOWHJBQWJVDI-GDBMZVCRSA-N 1 0 317.389 2.589 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599039285 398911658 /nfs/dbraw/zinc/91/16/58/398911658.db2.gz RCJBWMLXJKONTI-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000187571782 200129423 /nfs/dbraw/zinc/12/94/23/200129423.db2.gz BTTXWVJLQCCTRU-QGZVFWFLSA-N 1 0 322.405 2.978 20 5 DFBDRO CC1(C)[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[C@@H]1O ZINC000187680577 200144278 /nfs/dbraw/zinc/14/42/78/200144278.db2.gz BPYOPPGKWYDQII-IMJJTQAJSA-N 1 0 304.390 2.665 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066557 398916285 /nfs/dbraw/zinc/91/62/85/398916285.db2.gz SYGILNVHPFSGHD-XHSDSOJGSA-N 1 0 308.378 2.566 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CCCN1CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599066619 398916303 /nfs/dbraw/zinc/91/63/03/398916303.db2.gz TVSHSCQMMGCRGV-RISCZKNCSA-N 1 0 313.348 2.975 20 5 DFBDRO COC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CCOCC1 ZINC000599058004 398914320 /nfs/dbraw/zinc/91/43/20/398914320.db2.gz HFYDHTWQILDHFW-UHFFFAOYSA-N 1 0 317.345 2.751 20 5 DFBDRO CN(C[C@@H]1CCC[C@H]1O)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599058270 398914512 /nfs/dbraw/zinc/91/45/12/398914512.db2.gz GUCBSHRSJKCLBT-SWLSCSKDSA-N 1 0 301.346 2.740 20 5 DFBDRO COC(=O)[C@@]1(C)CCN(c2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599058803 398914607 /nfs/dbraw/zinc/91/46/07/398914607.db2.gz VOENCENHOMTDQD-INIZCTEOSA-N 1 0 315.329 2.532 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)CCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000237544784 202277457 /nfs/dbraw/zinc/27/74/57/202277457.db2.gz ZEOGPFUOGBSMBS-CYBMUJFWSA-N 1 0 319.405 2.860 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599083572 398918510 /nfs/dbraw/zinc/91/85/10/398918510.db2.gz ZXSSZMLMAYHLFX-UPJWGTAASA-N 1 0 310.419 2.826 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000599083517 398918679 /nfs/dbraw/zinc/91/86/79/398918679.db2.gz YFXGBYNJDMEUPB-LUYZLQTOSA-N 1 0 304.390 2.667 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000599093709 398919901 /nfs/dbraw/zinc/91/99/01/398919901.db2.gz QEIYZEMUBDKHSA-WBMJQRKESA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)cccc1[N+](=O)[O-] ZINC000599092062 398920044 /nfs/dbraw/zinc/92/00/44/398920044.db2.gz DTWJLHBWMLRYHE-SWLSCSKDSA-N 1 0 317.389 2.707 20 5 DFBDRO Cc1c(C(=O)N2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000237738260 202342962 /nfs/dbraw/zinc/34/29/62/202342962.db2.gz FUPKNTMYQQMCAI-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1c(C(=O)NCC[NH2+]C2CCCCCC2)cccc1[N+](=O)[O-] ZINC000237789295 202355838 /nfs/dbraw/zinc/35/58/38/202355838.db2.gz LUIJCNGVZODXJM-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000237822113 202363025 /nfs/dbraw/zinc/36/30/25/202363025.db2.gz QNNQBPJLCJZEEG-JTQLQIEISA-N 1 0 316.304 2.712 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)nc1 ZINC000595370203 398928169 /nfs/dbraw/zinc/92/81/69/398928169.db2.gz DMWCKJAYEUEEBH-CRWXNKLISA-N 1 0 302.378 2.522 20 5 DFBDRO Cc1noc(CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1[N+](=O)[O-] ZINC000595363616 398927500 /nfs/dbraw/zinc/92/75/00/398927500.db2.gz FEJJHONGJTZHEO-MBNYWOFBSA-N 1 0 322.409 2.728 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000055405416 398929257 /nfs/dbraw/zinc/92/92/57/398929257.db2.gz HSQKCFLUWHDHJF-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000417308584 296008913 /nfs/dbraw/zinc/00/89/13/296008913.db2.gz HSKXAEDJGMDKTP-YOEHRIQHSA-N 1 0 317.389 2.573 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000595387912 398930671 /nfs/dbraw/zinc/93/06/71/398930671.db2.gz FAUNKQYXFIRCMZ-OCCSQVGLSA-N 1 0 308.353 2.982 20 5 DFBDRO Cc1noc(CN(C)[C@@H](C)[C@@H]2Cc3ccccc3O2)c1[N+](=O)[O-] ZINC000595381122 398930154 /nfs/dbraw/zinc/93/01/54/398930154.db2.gz JKOFHHIOVFEHHP-FZMZJTMJSA-N 1 0 317.345 2.715 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000599161051 398932007 /nfs/dbraw/zinc/93/20/07/398932007.db2.gz VPGPPZQMPPAWPA-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152729850 398933056 /nfs/dbraw/zinc/93/30/56/398933056.db2.gz WEQQWUXVIVWFMQ-BETUJISGSA-N 1 0 303.362 2.574 20 5 DFBDRO COc1cccc([C@@H](CNc2ncc([N+](=O)[O-])s2)[NH+](C)C)c1 ZINC000189680433 200436855 /nfs/dbraw/zinc/43/68/55/200436855.db2.gz UGPILFHDGPOJTO-GFCCVEGCSA-N 1 0 322.390 2.775 20 5 DFBDRO CC(C)CNC(=O)CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595420493 398934918 /nfs/dbraw/zinc/93/49/18/398934918.db2.gz GLRLHQWOKZPIRZ-CYBMUJFWSA-N 1 0 307.394 2.798 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417379172 296014872 /nfs/dbraw/zinc/01/48/72/296014872.db2.gz GBLAVJRICNLUHJ-DGCLKSJQSA-N 1 0 313.348 2.893 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595442193 398939301 /nfs/dbraw/zinc/93/93/01/398939301.db2.gz QCDODXNOQNKGAV-LRDDRELGSA-N 1 0 318.348 2.988 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000078332931 398948664 /nfs/dbraw/zinc/94/86/64/398948664.db2.gz BQRHPUBKPYCJJZ-YPMHNXCESA-N 1 0 322.365 2.670 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2onc(C)c2[N+](=O)[O-])C12CCCC2 ZINC000595482320 398947603 /nfs/dbraw/zinc/94/76/03/398947603.db2.gz NENZCVUADJCMHW-OLZOCXBDSA-N 1 0 309.366 2.719 20 5 DFBDRO Cc1noc(CN(CC[NH+]2CCCCCC2)C(C)C)c1[N+](=O)[O-] ZINC000595488508 398949196 /nfs/dbraw/zinc/94/91/96/398949196.db2.gz LMOQIBKTRAHBIH-UHFFFAOYSA-N 1 0 324.425 2.978 20 5 DFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H](O)Cc1ccccc1 ZINC000595503320 398952517 /nfs/dbraw/zinc/95/25/17/398952517.db2.gz RJCLTMALPSJHFV-MRXNPFEDSA-N 1 0 318.348 2.769 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN(CCOC1CCOCC1)C1CC1 ZINC000599335106 398955362 /nfs/dbraw/zinc/95/53/62/398955362.db2.gz MPGPWSPTCAMVKY-UHFFFAOYSA-N 1 0 320.389 2.755 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000471951167 299316610 /nfs/dbraw/zinc/31/66/10/299316610.db2.gz BDSGHWIROYDQIT-UHFFFAOYSA-N 1 0 307.394 2.619 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000595524339 398956894 /nfs/dbraw/zinc/95/68/94/398956894.db2.gz SMQYGJHOVVFLNS-QLFBSQMISA-N 1 0 316.405 2.548 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)on1 ZINC000595528448 398957412 /nfs/dbraw/zinc/95/74/12/398957412.db2.gz YGPIDVQXGFFJDE-ZDUSSCGKSA-N 1 0 317.345 2.971 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@H](C)C1 ZINC000595535976 398959375 /nfs/dbraw/zinc/95/93/75/398959375.db2.gz LEDLPFHORQKEKN-CYBMUJFWSA-N 1 0 307.394 2.520 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000471962028 299317593 /nfs/dbraw/zinc/31/75/93/299317593.db2.gz ZEDMRCYVINNNDF-OAHLLOKOSA-N 1 0 319.405 2.761 20 5 DFBDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000193229890 201009308 /nfs/dbraw/zinc/00/93/08/201009308.db2.gz LRHHKGZTENUUCR-SWLSCSKDSA-N 1 0 317.389 2.652 20 5 DFBDRO CC[C@H](NC(=O)c1ccc(C[NH3+])o1)c1cccc([N+](=O)[O-])c1 ZINC000162433952 398981438 /nfs/dbraw/zinc/98/14/38/398981438.db2.gz QBKRYZSDLPLVLX-ZDUSSCGKSA-N 1 0 303.318 2.528 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3c(c2)OCCO3)cc1 ZINC000194415097 201222476 /nfs/dbraw/zinc/22/24/76/201222476.db2.gz ZNEUAOSXHQEBPM-UHFFFAOYSA-N 1 0 314.341 2.698 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281529276 216361704 /nfs/dbraw/zinc/36/17/04/216361704.db2.gz YPIKADRWQZOEAF-UHFFFAOYSA-N 1 0 320.393 2.817 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000194719796 201277433 /nfs/dbraw/zinc/27/74/33/201277433.db2.gz XRFWWXOBNCMVFJ-RYUDHWBXSA-N 1 0 314.345 2.668 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000006492002 181345656 /nfs/dbraw/zinc/34/56/56/181345656.db2.gz BLLGMVCBKXJMCR-KKTNHOPESA-N 1 0 318.373 2.883 20 5 DFBDRO C[C@H](CNc1ncc([N+](=O)[O-])s1)N1CCc2sccc2C1 ZINC000195508155 201397225 /nfs/dbraw/zinc/39/72/25/201397225.db2.gz BTSWJOZUXAOFEX-SECBINFHSA-N 1 0 324.431 2.972 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000417842045 296056912 /nfs/dbraw/zinc/05/69/12/296056912.db2.gz GLIXMRLHVPAGGT-DZGCQCFKSA-N 1 0 322.409 2.863 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000417848828 296057715 /nfs/dbraw/zinc/05/77/15/296057715.db2.gz KZTSWMDLYSHOBY-JSGCOSHPSA-N 1 0 322.409 2.781 20 5 DFBDRO C[C@@H]1C[NH+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H]1C ZINC000275526584 212394202 /nfs/dbraw/zinc/39/42/02/212394202.db2.gz WJHZFKPOBUTBOZ-GHMZBOCLSA-N 1 0 309.341 2.650 20 5 DFBDRO C[C@H](CC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000248030118 202712636 /nfs/dbraw/zinc/71/26/36/202712636.db2.gz QCTRRTKDFZCCKT-IPYPFGDCSA-N 1 0 319.405 2.798 20 5 DFBDRO O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000600229047 399013605 /nfs/dbraw/zinc/01/36/05/399013605.db2.gz NXJLYUBYECWECK-MRXNPFEDSA-N 1 0 317.389 2.732 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@H]21 ZINC000271810943 209235457 /nfs/dbraw/zinc/23/54/57/209235457.db2.gz ASOUEZDSCXQERB-FVQBIDKESA-N 1 0 304.390 2.931 20 5 DFBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1(C)COC1 ZINC000599571298 399017772 /nfs/dbraw/zinc/01/77/72/399017772.db2.gz BIMSCMLBTNWEIA-UHFFFAOYSA-N 1 0 317.345 2.718 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418228959 296082399 /nfs/dbraw/zinc/08/23/99/296082399.db2.gz FZCGIBYGFFWWBV-WFASDCNBSA-N 1 0 322.409 2.671 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855785 193118338 /nfs/dbraw/zinc/11/83/38/193118338.db2.gz SIZNCXGRBSWQQG-KADIJHKTSA-N 1 0 320.414 2.814 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000091922688 193127183 /nfs/dbraw/zinc/12/71/83/193127183.db2.gz IZWWUTBPCGNFRN-UHFFFAOYSA-N 1 0 308.378 2.924 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000599639275 399038537 /nfs/dbraw/zinc/03/85/37/399038537.db2.gz AOURCAWUJFQIID-WMLDXEAASA-N 1 0 320.389 2.588 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696407 399039563 /nfs/dbraw/zinc/03/95/63/399039563.db2.gz KPSIECDAFNRIEJ-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1CCO ZINC000595701117 399044725 /nfs/dbraw/zinc/04/47/25/399044725.db2.gz PWHFWUBJPCWGLG-YOEHRIQHSA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000255566404 283890605 /nfs/dbraw/zinc/89/06/05/283890605.db2.gz NKJJOIJEZHYFPQ-CMUBDUJZSA-N 1 0 317.389 2.599 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)cc1[N+](=O)[O-] ZINC000595697605 399041113 /nfs/dbraw/zinc/04/11/13/399041113.db2.gz LYTSINIQWXPUQT-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000599655388 399048883 /nfs/dbraw/zinc/04/88/83/399048883.db2.gz VZTFGOKGGHZOTO-SQWLQELKSA-N 1 0 318.373 2.758 20 5 DFBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C)c1ccc([N+](=O)[O-])cc1 ZINC000599674358 399056246 /nfs/dbraw/zinc/05/62/46/399056246.db2.gz DRGSMPJXJNFTFT-GUYCJALGSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1ccccc1C(C)(C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000293020778 223356589 /nfs/dbraw/zinc/35/65/89/223356589.db2.gz QROAGRZIUIVALV-UHFFFAOYSA-N 1 0 315.373 2.590 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000293903483 283951313 /nfs/dbraw/zinc/95/13/13/283951313.db2.gz KIMFHGACFOUDRZ-UHFFFAOYSA-N 1 0 323.368 2.730 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)ccc1[N+](=O)[O-] ZINC000595749084 399069392 /nfs/dbraw/zinc/06/93/92/399069392.db2.gz DFWUOBFEOKYBIY-KRWDZBQOSA-N 1 0 320.389 2.730 20 5 DFBDRO CCC1(CC)CCC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000595753172 399070287 /nfs/dbraw/zinc/07/02/87/399070287.db2.gz RBZVTDFTAAEAHB-UHFFFAOYSA-N 1 0 307.394 2.659 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000595760164 399073524 /nfs/dbraw/zinc/07/35/24/399073524.db2.gz SGPFYBJBYZEYQI-YOEHRIQHSA-N 1 0 320.389 2.850 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](CC)C2CC2)c([N+](=O)[O-])c1 ZINC000595765590 399075602 /nfs/dbraw/zinc/07/56/02/399075602.db2.gz LNSNQMHWSQGBRZ-CYBMUJFWSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@H](CCCC[NH3+])NC(=O)NC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000418687171 296109642 /nfs/dbraw/zinc/10/96/42/296109642.db2.gz DBAYWHDMQVHTFV-GFCCVEGCSA-N 1 0 322.409 2.647 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000292784196 284008211 /nfs/dbraw/zinc/00/82/11/284008211.db2.gz ULEWHMLMJDOHKV-VIIAAUOXSA-N 1 0 319.405 2.750 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(OC)cc(F)c2[N+](=O)[O-])C1 ZINC000301544251 284028822 /nfs/dbraw/zinc/02/88/22/284028822.db2.gz OYKDFTVNNPTCJT-LLVKDONJSA-N 1 0 311.357 2.521 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595807789 399092167 /nfs/dbraw/zinc/09/21/67/399092167.db2.gz ANEIMRZBMYXIIC-CHWSQXEVSA-N 1 0 303.362 2.574 20 5 DFBDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000337025968 284065125 /nfs/dbraw/zinc/06/51/25/284065125.db2.gz ZXWVIQZDMLBIQS-UHFFFAOYSA-N 1 0 322.409 2.507 20 5 DFBDRO CC[NH+](CC)Cc1cccc(CNc2c([N+](=O)[O-])ncn2C)c1 ZINC000079941682 399097834 /nfs/dbraw/zinc/09/78/34/399097834.db2.gz ZGNDTYJGKGPPEZ-UHFFFAOYSA-N 1 0 317.393 2.782 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261616569 203080462 /nfs/dbraw/zinc/08/04/62/203080462.db2.gz AIBJAYMNQATJFA-KWCYVHTRSA-N 1 0 305.378 2.598 20 5 DFBDRO CC[C@@H](NC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000261729036 203102533 /nfs/dbraw/zinc/10/25/33/203102533.db2.gz KSEZWTBHYUCXDK-NILFDRSVSA-N 1 0 305.378 2.680 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000595830555 399102664 /nfs/dbraw/zinc/10/26/64/399102664.db2.gz HSEMMCUCVNVKJA-UHFFFAOYSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000269020703 296134598 /nfs/dbraw/zinc/13/45/98/296134598.db2.gz ZZOSZVUJMXWBDW-IUODEOHRSA-N 1 0 309.435 2.683 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419371991 296137132 /nfs/dbraw/zinc/13/71/32/296137132.db2.gz LWXVIXNLLXRIQK-MROQNXINSA-N 1 0 305.378 2.898 20 5 DFBDRO CCC[C@](C)([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000262091124 203195628 /nfs/dbraw/zinc/19/56/28/203195628.db2.gz AFGWZGSEMYPFNY-AWEZNQCLSA-N 1 0 313.785 2.724 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419379360 296137926 /nfs/dbraw/zinc/13/79/26/296137926.db2.gz WPUIJMWBQVCYET-MROQNXINSA-N 1 0 305.378 2.898 20 5 DFBDRO CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000595869425 399117865 /nfs/dbraw/zinc/11/78/65/399117865.db2.gz AWHLPJZWJIOZLX-GDBMZVCRSA-N 1 0 324.425 2.587 20 5 DFBDRO NC(=O)c1ccc(C[N@H+](CCC2CC2)CC2CC2)c([N+](=O)[O-])c1 ZINC000595871351 399117160 /nfs/dbraw/zinc/11/71/60/399117160.db2.gz KPBHMMVKVXUITM-UHFFFAOYSA-N 1 0 317.389 2.706 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000060156613 399118028 /nfs/dbraw/zinc/11/80/28/399118028.db2.gz SKSATFATBWFOMB-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000093360918 193238228 /nfs/dbraw/zinc/23/82/28/193238228.db2.gz NKUSGWNHDUADFS-AWEZNQCLSA-N 1 0 319.405 2.676 20 5 DFBDRO [NH3+][C@H]1CCc2ccccc2N(CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000595904210 399129358 /nfs/dbraw/zinc/12/93/58/399129358.db2.gz UEVFOBMZZSHYST-INIZCTEOSA-N 1 0 311.385 2.917 20 5 DFBDRO COC1CC[NH+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000080249769 399131540 /nfs/dbraw/zinc/13/15/40/399131540.db2.gz QALYNUHMMILLLQ-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO [NH3+][C@H]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C1 ZINC000420107937 296158564 /nfs/dbraw/zinc/15/85/64/296158564.db2.gz BMROENYWXOFSAX-ZDUSSCGKSA-N 1 0 316.336 2.723 20 5 DFBDRO CN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000420133907 296159392 /nfs/dbraw/zinc/15/93/92/296159392.db2.gz DJVYNCOGSRCQEV-UHFFFAOYSA-N 1 0 303.284 2.802 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000600759379 399137513 /nfs/dbraw/zinc/13/75/13/399137513.db2.gz CYAGRNIOUNRCSL-HOCLYGCPSA-N 1 0 320.389 2.671 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@H](C)C1 ZINC000060555522 399136970 /nfs/dbraw/zinc/13/69/70/399136970.db2.gz LHARXVJHGIXTNT-WDEREUQCSA-N 1 0 311.407 2.507 20 5 DFBDRO [NH3+]CC1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000420180770 296160856 /nfs/dbraw/zinc/16/08/56/296160856.db2.gz HGSXRUISLIYUEM-UHFFFAOYSA-N 1 0 318.402 2.893 20 5 DFBDRO C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)[C@H]1C[NH3+] ZINC000420184538 296160967 /nfs/dbraw/zinc/16/09/67/296160967.db2.gz JOJLLRDEZXUASB-CABZTGNLSA-N 1 0 315.320 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1Nc1ccc3c(c1)C[NH2+]CC3)CCN2 ZINC000420185223 296160994 /nfs/dbraw/zinc/16/09/94/296160994.db2.gz KNWZAFUUTWRFIH-UHFFFAOYSA-N 1 0 310.357 2.952 20 5 DFBDRO [NH3+]C[C@@H]1CCCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420207659 296162531 /nfs/dbraw/zinc/16/25/31/296162531.db2.gz XBUNJKPSLDBFRB-LBPRGKRZSA-N 1 0 304.375 2.646 20 5 DFBDRO CCc1nn(C)c(NCc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000420214618 296162919 /nfs/dbraw/zinc/16/29/19/296162919.db2.gz RGKXTZCIQDJBFE-JTQLQIEISA-N 1 0 303.366 2.523 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC2(C1)CC[NH2+]CC2 ZINC000420223635 296163419 /nfs/dbraw/zinc/16/34/19/296163419.db2.gz BMTBMCCPFYLWEE-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@]1(CNc2ccc([N+](=O)[O-])cc2OC(F)F)CCC[NH2+]C1 ZINC000420225948 296163597 /nfs/dbraw/zinc/16/35/97/296163597.db2.gz FTUNFSCULBZLAE-AWEZNQCLSA-N 1 0 315.320 2.998 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1 ZINC000420226318 296163643 /nfs/dbraw/zinc/16/36/43/296163643.db2.gz ZTGOXSDITFAIAE-SECBINFHSA-N 1 0 315.320 2.760 20 5 DFBDRO C[NH2+]CCC1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000420227968 296163796 /nfs/dbraw/zinc/16/37/96/296163796.db2.gz QCYIDXNWTOOPEW-UHFFFAOYSA-N 1 0 305.378 2.623 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@@H](C)C[NH2+]1 ZINC000420228781 296163833 /nfs/dbraw/zinc/16/38/33/296163833.db2.gz FSPZEVSXBCWYGU-STQMWFEESA-N 1 0 312.373 2.843 20 5 DFBDRO CC(=O)c1cc(NC[C@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000420235619 296164588 /nfs/dbraw/zinc/16/45/88/296164588.db2.gz DDIZOPKVSFLGJQ-OAHLLOKOSA-N 1 0 305.378 2.988 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000595988478 399144941 /nfs/dbraw/zinc/14/49/41/399144941.db2.gz OVLBUMZGHKVXKR-CQSZACIVSA-N 1 0 321.421 2.996 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420241787 296165222 /nfs/dbraw/zinc/16/52/22/296165222.db2.gz ONOLQUDHXSEENQ-PSASIEDQSA-N 1 0 301.293 2.606 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N(CCC[NH3+])CC2CCCC2)n1 ZINC000420252263 296165916 /nfs/dbraw/zinc/16/59/16/296165916.db2.gz NOHPYPZFSCBFCF-UHFFFAOYSA-N 1 0 306.410 2.952 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH3+])[C@@H]2C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420252796 296165923 /nfs/dbraw/zinc/16/59/23/296165923.db2.gz ONOVCDIMHPXDNY-WPRPVWTQSA-N 1 0 303.284 2.848 20 5 DFBDRO Cc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc([N+](=O)[O-])cc1 ZINC000600789886 399147931 /nfs/dbraw/zinc/14/79/31/399147931.db2.gz WVZAPXUIBREQLR-CQSZACIVSA-N 1 0 300.358 2.680 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264592034 204015286 /nfs/dbraw/zinc/01/52/86/204015286.db2.gz LRNQELUYNMLJAE-OAHLLOKOSA-N 1 0 318.377 2.687 20 5 DFBDRO Cc1c(CN2CC[C@H]([NH+]3CCCCC3)C2)cccc1[N+](=O)[O-] ZINC000264594381 204017269 /nfs/dbraw/zinc/01/72/69/204017269.db2.gz MCQIXVJTKUHZKH-INIZCTEOSA-N 1 0 303.406 2.963 20 5 DFBDRO Cc1cc(-c2cc([N+](=O)[O-])ccc2CCO)cc2c1C[NH2+]CC2 ZINC000600794793 399150540 /nfs/dbraw/zinc/15/05/40/399150540.db2.gz XTVNLRXZQBWNEH-UHFFFAOYSA-N 1 0 312.369 2.751 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=C[C@H](CO)C1 ZINC000341247756 284259366 /nfs/dbraw/zinc/25/93/66/284259366.db2.gz SVDDXPZGXMBXRX-MJBXVCDLSA-N 1 0 322.430 2.992 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1c([N+](=O)[O-])c(C)nn1CC ZINC000420280231 296168929 /nfs/dbraw/zinc/16/89/29/296168929.db2.gz PYNQUGUARJHKBB-CQSZACIVSA-N 1 0 317.393 2.794 20 5 DFBDRO Cc1nn(C)c(NC[C@H](C)[N@H+](C)Cc2ccccc2)c1[N+](=O)[O-] ZINC000264764774 204140136 /nfs/dbraw/zinc/14/01/36/204140136.db2.gz OCYKVYJCNLUODR-LBPRGKRZSA-N 1 0 317.393 2.569 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420286183 296169438 /nfs/dbraw/zinc/16/94/38/296169438.db2.gz WEWRWZPXVDRCEE-PSASIEDQSA-N 1 0 303.284 2.705 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1[N+](=O)[O-] ZINC000600826225 399156986 /nfs/dbraw/zinc/15/69/86/399156986.db2.gz XFLMUNUFSHKCRL-GFCCVEGCSA-N 1 0 305.378 2.565 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000264945246 204291721 /nfs/dbraw/zinc/29/17/21/204291721.db2.gz IRDIFXUBSXMZRI-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@@H](O)C3CC3)cs2)c1 ZINC000265098121 204394792 /nfs/dbraw/zinc/39/47/92/204394792.db2.gz QSNBSWKMZWWEHL-CQSZACIVSA-N 1 0 319.386 2.579 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420343900 296177780 /nfs/dbraw/zinc/17/77/80/296177780.db2.gz SAKBNLQQNFSPTI-CJNGLKHVSA-N 1 0 321.421 2.941 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282547851 217080162 /nfs/dbraw/zinc/08/01/62/217080162.db2.gz WVPWRXPRUBDJFO-OAHLLOKOSA-N 1 0 318.373 2.555 20 5 DFBDRO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000614205872 399174868 /nfs/dbraw/zinc/17/48/68/399174868.db2.gz DASVXSSRDWLGIL-GOEBONIOSA-N 1 0 319.405 2.640 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420376975 296182908 /nfs/dbraw/zinc/18/29/08/296182908.db2.gz VRPLPPQEEDXQEG-IIYDPXPESA-N 1 0 321.421 2.858 20 5 DFBDRO O=[N+]([O-])c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1C(F)(F)F ZINC000596115198 399179310 /nfs/dbraw/zinc/17/93/10/399179310.db2.gz LYQBJOQOURNEMQ-NSHDSACASA-N 1 0 315.295 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOCC3(CCCC3)C2)cc1 ZINC000614222940 399179532 /nfs/dbraw/zinc/17/95/32/399179532.db2.gz STXQMTIMTOKQLQ-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397645 296186080 /nfs/dbraw/zinc/18/60/80/296186080.db2.gz MTEHHMBSFGCHAA-DOMZBBRYSA-N 1 0 307.369 2.698 20 5 DFBDRO C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[NH2+]1 ZINC000600956054 399186637 /nfs/dbraw/zinc/18/66/37/399186637.db2.gz VLZIMZVIERNBSN-IUCAKERBSA-N 1 0 301.293 2.749 20 5 DFBDRO C[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[NH2+]1 ZINC000600956053 399186646 /nfs/dbraw/zinc/18/66/46/399186646.db2.gz VLZIMZVIERNBSN-DTWKUNHWSA-N 1 0 301.293 2.749 20 5 DFBDRO [NH3+]C[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[C@H]1C(F)(F)F ZINC000600951797 399185283 /nfs/dbraw/zinc/18/52/83/399185283.db2.gz HWEJGFSLXIBNSQ-JGVFFNPUSA-N 1 0 309.313 2.620 20 5 DFBDRO [NH3+]C[C@H]1CN(c2c(F)cccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600952928 399185682 /nfs/dbraw/zinc/18/56/82/399185682.db2.gz UOXZYRDGXAGCIL-DTWKUNHWSA-N 1 0 321.274 2.697 20 5 DFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000614252418 399189745 /nfs/dbraw/zinc/18/97/45/399189745.db2.gz RXVRWOCAYFURHP-AAEUAGOBSA-N 1 0 306.362 2.986 20 5 DFBDRO C[C@H]1CC[C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC000600967148 399190483 /nfs/dbraw/zinc/19/04/83/399190483.db2.gz YTGDVBGHINBQFT-DTWKUNHWSA-N 1 0 312.757 2.510 20 5 DFBDRO Cc1cc([C@@](C)(O)C[NH2+]Cc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000266169399 205155054 /nfs/dbraw/zinc/15/50/54/205155054.db2.gz QROWERAIKBHCFR-INIZCTEOSA-N 1 0 304.346 2.802 20 5 DFBDRO COc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000266142101 205131799 /nfs/dbraw/zinc/13/17/99/205131799.db2.gz RAVRJWNISAUKNC-CHWSQXEVSA-N 1 0 323.393 2.515 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000266183617 205165531 /nfs/dbraw/zinc/16/55/31/205165531.db2.gz SSVFDQWHFRSMTK-ZDUSSCGKSA-N 1 0 323.368 2.680 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000266194902 205173008 /nfs/dbraw/zinc/17/30/08/205173008.db2.gz ZVCZNXQXTWOVDX-APHBMKBZSA-N 1 0 320.389 2.897 20 5 DFBDRO C[C@H](CNC(=O)c1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000600997271 399199211 /nfs/dbraw/zinc/19/92/11/399199211.db2.gz UXIFYAKTHNPIBO-NWDGAFQWSA-N 1 0 323.368 2.727 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000420637939 296194859 /nfs/dbraw/zinc/19/48/59/296194859.db2.gz PQMXBDGXFMCCPW-CQSZACIVSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000063703850 399202563 /nfs/dbraw/zinc/20/25/63/399202563.db2.gz SAXYIVSYFWSRFJ-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(C)[NH+]1CCC(Nc2ccnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000601100442 399226701 /nfs/dbraw/zinc/22/67/01/399226701.db2.gz KRFHBVBARLFLEA-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2c1 ZINC000601104798 399228003 /nfs/dbraw/zinc/22/80/03/399228003.db2.gz HELIQTWLBLNNLO-OLZOCXBDSA-N 1 0 312.373 2.604 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105072 399227620 /nfs/dbraw/zinc/22/76/20/399227620.db2.gz SWDSJRYRIGSPDX-UHFFFAOYSA-N 1 0 310.373 2.687 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccnn2CC2CCC2)cc1 ZINC000601106466 399228774 /nfs/dbraw/zinc/22/87/74/399228774.db2.gz XTUPRIYAMPZFLO-UHFFFAOYSA-N 1 0 314.389 2.924 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132105 399236101 /nfs/dbraw/zinc/23/61/01/399236101.db2.gz AMGMPZVSXYGTMX-BXUZGUMPSA-N 1 0 320.368 2.582 20 5 DFBDRO Cn1cnnc1[C@@H]1CCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601135176 399237348 /nfs/dbraw/zinc/23/73/48/399237348.db2.gz BEQXFIDLISPCEY-HNNXBMFYSA-N 1 0 324.344 2.613 20 5 DFBDRO Cc1ccccc1C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601148943 399241150 /nfs/dbraw/zinc/24/11/50/399241150.db2.gz HTYYIXZBNOFWSY-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CC[C@H](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000420957254 296217768 /nfs/dbraw/zinc/21/77/68/296217768.db2.gz AAJURBWNZQIPPJ-AWEZNQCLSA-N 1 0 317.389 2.706 20 5 DFBDRO CCN(CC)C(=O)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178079137 284477981 /nfs/dbraw/zinc/47/79/81/284477981.db2.gz RMWDBAULMZAVOJ-CYBMUJFWSA-N 1 0 307.394 2.894 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601179127 399249180 /nfs/dbraw/zinc/24/91/80/399249180.db2.gz MKUQKBYYXCQQFC-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])c(OC(C)C)n1 ZINC000601189271 399251229 /nfs/dbraw/zinc/25/12/29/399251229.db2.gz PKPMSVUYVIQIKD-ZDUSSCGKSA-N 1 0 322.409 2.698 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000601188392 399251399 /nfs/dbraw/zinc/25/13/99/399251399.db2.gz GBFGIJAKQJKUBU-SNVBAGLBSA-N 1 0 321.406 2.520 20 5 DFBDRO C[C@H]1C[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C[C@@H]1C ZINC000267769832 206270046 /nfs/dbraw/zinc/27/00/46/206270046.db2.gz GGLIGJXRJSLYCY-QWRGUYRKSA-N 1 0 302.334 2.733 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601224847 399258594 /nfs/dbraw/zinc/25/85/94/399258594.db2.gz BOAPTCADXDYLBR-UHFFFAOYSA-N 1 0 301.350 2.802 20 5 DFBDRO Cc1nc(Nc2cnn(C3CC[NH+](C)CC3)c2)ccc1[N+](=O)[O-] ZINC000601227519 399259049 /nfs/dbraw/zinc/25/90/49/399259049.db2.gz TZBWTXCFOYCXAT-UHFFFAOYSA-N 1 0 316.365 2.505 20 5 DFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000601227426 399259225 /nfs/dbraw/zinc/25/92/25/399259225.db2.gz NRKZISIJECRSES-UHFFFAOYSA-N 1 0 306.366 2.543 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2c(Cl)cncc2[N+](=O)[O-])CC1 ZINC000601229610 399259952 /nfs/dbraw/zinc/25/99/52/399259952.db2.gz VHMYUGVXRYESJY-UHFFFAOYSA-N 1 0 312.801 2.954 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000601267286 399266905 /nfs/dbraw/zinc/26/69/05/399266905.db2.gz VRGHVBOZJKRUIW-BPUTZDHNSA-N 1 0 302.374 2.685 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[C@H](O)C(F)F)C1CC1 ZINC000601298776 399272653 /nfs/dbraw/zinc/27/26/53/399272653.db2.gz LBTCSTKUMZOHLV-JSGCOSHPSA-N 1 0 314.332 2.522 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000421362900 296248348 /nfs/dbraw/zinc/24/83/48/296248348.db2.gz OHCLKUOQAVJHMB-HWRHMDFFSA-N 1 0 304.390 2.948 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000421479016 296258795 /nfs/dbraw/zinc/25/87/95/296258795.db2.gz FUMRMAVESWYXDJ-KBPBESRZSA-N 1 0 319.405 2.814 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601540185 399298097 /nfs/dbraw/zinc/29/80/97/399298097.db2.gz DZYQQSSISUZJPR-CYBMUJFWSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000609540922 399321941 /nfs/dbraw/zinc/32/19/41/399321941.db2.gz RWJBDQACTHLMPX-DZGCQCFKSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421684800 296272325 /nfs/dbraw/zinc/27/23/25/296272325.db2.gz LTUYEHXQDPUPPK-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421709628 296272890 /nfs/dbraw/zinc/27/28/90/296272890.db2.gz GEPZKGCNSCZNKD-AWEZNQCLSA-N 1 0 319.405 2.884 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000421709629 296272898 /nfs/dbraw/zinc/27/28/98/296272898.db2.gz GEPZKGCNSCZNKD-CQSZACIVSA-N 1 0 319.405 2.884 20 5 DFBDRO CS[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1[NH+]1CCCC1 ZINC000274157975 211387625 /nfs/dbraw/zinc/38/76/25/211387625.db2.gz ZANTYWZWLVQWQR-HOTGVXAUSA-N 1 0 321.446 2.606 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000609833845 399333186 /nfs/dbraw/zinc/33/31/86/399333186.db2.gz YFPLUAVGGUBZOU-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO NC(=O)CC1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421878298 296278584 /nfs/dbraw/zinc/27/85/84/296278584.db2.gz LXQAIMURCOXLST-HNNXBMFYSA-N 1 0 317.389 2.608 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000104364536 194002413 /nfs/dbraw/zinc/00/24/13/194002413.db2.gz OIMLHDNTIIVKJE-SECBINFHSA-N 1 0 314.183 2.769 20 5 DFBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000610133301 399343818 /nfs/dbraw/zinc/34/38/18/399343818.db2.gz BRAZZIHQOOMYNF-GHMZBOCLSA-N 1 0 302.334 2.875 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC1 ZINC000104953986 194056058 /nfs/dbraw/zinc/05/60/58/194056058.db2.gz DXLXYCZTNXNRGH-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1 ZINC000610281775 399353535 /nfs/dbraw/zinc/35/35/35/399353535.db2.gz KCMZUBPZAIENEF-HNNXBMFYSA-N 1 0 312.373 2.701 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000284787407 218178536 /nfs/dbraw/zinc/17/85/36/218178536.db2.gz NTYXCGLZNVLHEH-JKSUJKDBSA-N 1 0 306.362 2.617 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[N@@H+](C)C[C@@H]2CC)cc1[N+](=O)[O-] ZINC000619566946 399362985 /nfs/dbraw/zinc/36/29/85/399362985.db2.gz BSOCTWBALMEBAR-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO CN(CCC[NH2+]Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C ZINC000105436171 194104016 /nfs/dbraw/zinc/10/40/16/194104016.db2.gz ZALNADYIYJXSMS-UHFFFAOYSA-N 1 0 323.393 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000105493132 194105702 /nfs/dbraw/zinc/10/57/02/194105702.db2.gz FKYGOMUSBKEMEI-OAHLLOKOSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000610369515 399362291 /nfs/dbraw/zinc/36/22/91/399362291.db2.gz HWWXYLOWVUZGBZ-ZIAGYGMSSA-N 1 0 317.389 2.743 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1COC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284872646 218216751 /nfs/dbraw/zinc/21/67/51/218216751.db2.gz BASGNDZMHKRWTQ-YPMHNXCESA-N 1 0 321.377 2.513 20 5 DFBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1F ZINC000610447519 399368871 /nfs/dbraw/zinc/36/88/71/399368871.db2.gz DFCJYODPKDLHMW-UHFFFAOYSA-N 1 0 306.341 2.843 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969900 399371634 /nfs/dbraw/zinc/37/16/34/399371634.db2.gz MPLMSPPYDFJNJK-IUODEOHRSA-N 1 0 305.378 2.599 20 5 DFBDRO Cc1cc(N2C[C@H](O)CC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000615730116 399378133 /nfs/dbraw/zinc/37/81/33/399378133.db2.gz DBDMWZFGVBQCBH-LLVKDONJSA-N 1 0 323.299 2.658 20 5 DFBDRO CCOCC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1CC ZINC000106120053 194187625 /nfs/dbraw/zinc/18/76/25/194187625.db2.gz ZOQZKAOFHJXKBR-INIZCTEOSA-N 1 0 321.421 2.528 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@@H]1CCOC1 ZINC000615724136 399377533 /nfs/dbraw/zinc/37/75/33/399377533.db2.gz NDGLQHHPYGIYKK-IHWMJMDHSA-N 1 0 320.389 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3CCCOC3)CC2)cc1 ZINC000610570055 399381177 /nfs/dbraw/zinc/38/11/77/399381177.db2.gz RVQNMRIHDSRMTL-CQSZACIVSA-N 1 0 306.362 2.617 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1F ZINC000285174740 218319887 /nfs/dbraw/zinc/31/98/87/218319887.db2.gz BGQFEXAHPKIGPV-QGZVFWFLSA-N 1 0 318.348 2.942 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000106791390 194253260 /nfs/dbraw/zinc/25/32/60/194253260.db2.gz BHFQDDSRSWDJII-NSHDSACASA-N 1 0 323.418 2.711 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000619782632 399391694 /nfs/dbraw/zinc/39/16/94/399391694.db2.gz GZIFIOJZCNSWJK-NSHDSACASA-N 1 0 319.386 2.970 20 5 DFBDRO Cc1c(C[NH+]2CCC(n3ccnc3)CC2)cccc1[N+](=O)[O-] ZINC000109792359 194285431 /nfs/dbraw/zinc/28/54/31/194285431.db2.gz NINWMAHBWMWISY-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000610678128 399392117 /nfs/dbraw/zinc/39/21/17/399392117.db2.gz DDLWKMIOIFQGLP-ABAIWWIYSA-N 1 0 300.362 2.895 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109808914 194288774 /nfs/dbraw/zinc/28/87/74/194288774.db2.gz RTFHOSJWVKLRNN-MRXNPFEDSA-N 1 0 321.421 2.908 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC3(CC[NH2+]3)CC2)nc1-c1ccccc1 ZINC000422539358 296311515 /nfs/dbraw/zinc/31/15/15/296311515.db2.gz KCLXOSRZXYOICD-UHFFFAOYSA-N 1 0 324.384 2.989 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273474117 210803891 /nfs/dbraw/zinc/80/38/91/210803891.db2.gz OZQVHKOAEIENGR-GFCCVEGCSA-N 1 0 324.356 2.682 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2C[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000610716243 399396436 /nfs/dbraw/zinc/39/64/36/399396436.db2.gz FGBWETUELWYDHL-SMDDNHRTSA-N 1 0 321.377 2.524 20 5 DFBDRO C[C@@H](NC(=O)[C@H]1CC[N@@H+]1C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000602135286 399400141 /nfs/dbraw/zinc/40/01/41/399400141.db2.gz ZGKWWEABSDBKMR-MLGOLLRUSA-N 1 0 317.389 2.789 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000610803581 399407876 /nfs/dbraw/zinc/40/78/76/399407876.db2.gz LKBKMKAQZLMACH-XHSDSOJGSA-N 1 0 304.390 2.809 20 5 DFBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC(C)CC1 ZINC000056196879 184006854 /nfs/dbraw/zinc/00/68/54/184006854.db2.gz XPSDYWRMWUUHRK-ZIAGYGMSSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC[C@@H]1CCOC1 ZINC000610815091 399409107 /nfs/dbraw/zinc/40/91/07/399409107.db2.gz POMQIKZPLRVGNN-ZIAGYGMSSA-N 1 0 308.378 2.607 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000058092715 184074479 /nfs/dbraw/zinc/07/44/79/184074479.db2.gz SGGLWDMITSXFID-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO Cn1cc(C[N@@H+]2CCCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602453777 399448865 /nfs/dbraw/zinc/44/88/65/399448865.db2.gz OXHFLXKQUBEQAG-INIZCTEOSA-N 1 0 314.389 2.926 20 5 DFBDRO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602459848 399450619 /nfs/dbraw/zinc/45/06/19/399450619.db2.gz VFYCIWOFVSZDQY-MRXNPFEDSA-N 1 0 314.389 2.844 20 5 DFBDRO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1 ZINC000602465612 399451575 /nfs/dbraw/zinc/45/15/75/399451575.db2.gz SQVBKFOUZLGCHF-CYBMUJFWSA-N 1 0 300.362 2.626 20 5 DFBDRO COc1cc(N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255919 399452415 /nfs/dbraw/zinc/45/24/15/399452415.db2.gz UMFACRWSRZLBMM-CHWSQXEVSA-N 1 0 323.368 2.806 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)OCCO2 ZINC000611272006 399455598 /nfs/dbraw/zinc/45/55/98/399455598.db2.gz SQEIFZREIZHKFO-TXEJJXNPSA-N 1 0 304.346 2.598 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)OCCO2 ZINC000611272035 399455698 /nfs/dbraw/zinc/45/56/98/399455698.db2.gz KDMVKRYSWGKZKG-UHFFFAOYSA-N 1 0 304.346 2.742 20 5 DFBDRO CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611274729 399456777 /nfs/dbraw/zinc/45/67/77/399456777.db2.gz PRBXXNGCDPWDDD-GFCCVEGCSA-N 1 0 324.402 2.693 20 5 DFBDRO Cn1cc(C[N@@H+]2CCSC3(CCCCC3)C2)c([N+](=O)[O-])n1 ZINC000602487794 399459842 /nfs/dbraw/zinc/45/98/42/399459842.db2.gz UORCLQGWWXCTMX-UHFFFAOYSA-N 1 0 310.423 2.580 20 5 DFBDRO O=[N+]([O-])c1sc(C[NH2+]C[C@H]2CCCO2)cc1Br ZINC000602497853 399461127 /nfs/dbraw/zinc/46/11/27/399461127.db2.gz DEQVWOKUEJMXGJ-SSDOTTSWSA-N 1 0 321.196 2.687 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2COc3ccccc3O2)cc1 ZINC000602502734 399461828 /nfs/dbraw/zinc/46/18/28/399461828.db2.gz NAUYHEYQNMYNOQ-HNNXBMFYSA-N 1 0 314.341 2.567 20 5 DFBDRO CCC[C@@H]([NH2+]CCc1nncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000611336011 399463027 /nfs/dbraw/zinc/46/30/27/399463027.db2.gz LUEYQCJUNFVEAO-OAHLLOKOSA-N 1 0 317.393 2.880 20 5 DFBDRO Cc1occc1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602518927 399466478 /nfs/dbraw/zinc/46/64/78/399466478.db2.gz UAIKLHCHMZUBDZ-UHFFFAOYSA-N 1 0 316.361 2.650 20 5 DFBDRO CC(C)CC[C@@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000602516419 399466511 /nfs/dbraw/zinc/46/65/11/399466511.db2.gz LCGYOQQPASWNEG-MRXNPFEDSA-N 1 0 319.405 2.849 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CC=CCC3)CC2)cn1 ZINC000602527109 399467997 /nfs/dbraw/zinc/46/79/97/399467997.db2.gz YPOMQQKPJHUYEQ-CQSZACIVSA-N 1 0 316.405 2.905 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000602538457 399471004 /nfs/dbraw/zinc/47/10/04/399471004.db2.gz FRSQYXXOCYPTCN-UHFFFAOYSA-N 1 0 303.318 2.629 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cnc2ccnn2c1)c1cccc([N+](=O)[O-])c1 ZINC000611403891 399471259 /nfs/dbraw/zinc/47/12/59/399471259.db2.gz GZNSFDIORFVSBO-OAHLLOKOSA-N 1 0 311.345 2.878 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602551801 399473898 /nfs/dbraw/zinc/47/38/98/399473898.db2.gz FWMHPNAQUYSMAM-AAEUAGOBSA-N 1 0 305.378 2.589 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000066186408 184395683 /nfs/dbraw/zinc/39/56/83/184395683.db2.gz QGEMRPTTYKPRQQ-STQMWFEESA-N 1 0 322.409 2.685 20 5 DFBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602568225 399478631 /nfs/dbraw/zinc/47/86/31/399478631.db2.gz JUPRWVBICXUIMX-GHMZBOCLSA-N 1 0 305.334 2.641 20 5 DFBDRO COCCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602569121 399478638 /nfs/dbraw/zinc/47/86/38/399478638.db2.gz NOYDUFNLANZBNL-UHFFFAOYSA-N 1 0 305.334 2.642 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@H]43)nc2c1 ZINC000602567906 399477978 /nfs/dbraw/zinc/47/79/78/399477978.db2.gz LVCFHYMMJXRLDL-OUCADQQQSA-N 1 0 317.345 2.783 20 5 DFBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602577099 399480787 /nfs/dbraw/zinc/48/07/87/399480787.db2.gz RSZKUUFBEHRDFD-SNVBAGLBSA-N 1 0 305.334 2.783 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCOc2ncccc2Cl)cc1 ZINC000602572238 399479242 /nfs/dbraw/zinc/47/92/42/399479242.db2.gz ZZHDJLBLUJHQGN-UHFFFAOYSA-N 1 0 321.764 2.854 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2nccn2C1 ZINC000611471331 399479304 /nfs/dbraw/zinc/47/93/04/399479304.db2.gz SKHLJPGVZNFOMS-QWHCGFSZSA-N 1 0 300.362 2.765 20 5 DFBDRO [NH3+][C@H]1CCCCCN(C(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC000602577793 399481118 /nfs/dbraw/zinc/48/11/18/399481118.db2.gz BHKRBGDUNWEYGK-LBPRGKRZSA-N 1 0 311.769 2.592 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H](C)O1 ZINC000602580672 399481534 /nfs/dbraw/zinc/48/15/34/399481534.db2.gz YKFJYGUXLRAPQQ-JGPRNRPPSA-N 1 0 305.334 2.782 20 5 DFBDRO C[C@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C1CCC1 ZINC000602579318 399481699 /nfs/dbraw/zinc/48/16/99/399481699.db2.gz JFXIEOXFGVHLQP-LBPRGKRZSA-N 1 0 304.394 2.737 20 5 DFBDRO C[C@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602580762 399482273 /nfs/dbraw/zinc/48/22/73/399482273.db2.gz FVJWJGOENBTDEC-QWRGUYRKSA-N 1 0 305.334 2.641 20 5 DFBDRO C[C@H]1C[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCO1 ZINC000602580763 399482342 /nfs/dbraw/zinc/48/23/42/399482342.db2.gz FVJWJGOENBTDEC-WDEREUQCSA-N 1 0 305.334 2.641 20 5 DFBDRO Cc1nn(C)c(C)c1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602581481 399482506 /nfs/dbraw/zinc/48/25/06/399482506.db2.gz HZFVLQPVKRGISN-UHFFFAOYSA-N 1 0 316.405 2.710 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000611501833 399483244 /nfs/dbraw/zinc/48/32/44/399483244.db2.gz ITWJHLGVJYFVKW-BXUZGUMPSA-N 1 0 323.368 2.912 20 5 DFBDRO CCC[NH+]1CCC(NCc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602587206 399483935 /nfs/dbraw/zinc/48/39/35/399483935.db2.gz PSGLLRDXADTNDL-UHFFFAOYSA-N 1 0 318.377 2.700 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)c1 ZINC000611554674 399491064 /nfs/dbraw/zinc/49/10/64/399491064.db2.gz RPCMZUHRYGXACK-QWGSZXSUSA-N 1 0 312.373 2.969 20 5 DFBDRO COCCC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602613076 399491155 /nfs/dbraw/zinc/49/11/55/399491155.db2.gz NJZNFHFNZJKJFT-UHFFFAOYSA-N 1 0 307.350 2.888 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000602647077 399501628 /nfs/dbraw/zinc/50/16/28/399501628.db2.gz SHLUPUQARJDTLF-SKDRFNHKSA-N 1 0 318.295 2.864 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602656040 399504644 /nfs/dbraw/zinc/50/46/44/399504644.db2.gz LDEWMAWJSNQZRQ-GFCCVEGCSA-N 1 0 317.311 2.750 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000422821160 296339296 /nfs/dbraw/zinc/33/92/96/296339296.db2.gz URALGQONROICAQ-RYUDHWBXSA-N 1 0 305.378 2.541 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347017334 285005031 /nfs/dbraw/zinc/00/50/31/285005031.db2.gz DJYPIHWGYADTBM-STQMWFEESA-N 1 0 307.394 2.553 20 5 DFBDRO COc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1F ZINC000611713954 399510622 /nfs/dbraw/zinc/51/06/22/399510622.db2.gz NGIXHQXOGQPAOF-SNVBAGLBSA-N 1 0 322.340 2.598 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C2CC2)CC1 ZINC000347365045 285016961 /nfs/dbraw/zinc/01/69/61/285016961.db2.gz SKVXMFZZOHXBAA-SDNWHVSQSA-N 1 0 301.390 2.778 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422852841 296344962 /nfs/dbraw/zinc/34/49/62/296344962.db2.gz RIMBDABAHDJBLX-LRDDRELGSA-N 1 0 319.405 2.918 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000602670479 399512825 /nfs/dbraw/zinc/51/28/25/399512825.db2.gz FWJZNNJMSBGFEB-LBPRGKRZSA-N 1 0 318.295 2.960 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422906159 296354210 /nfs/dbraw/zinc/35/42/10/296354210.db2.gz UFYLONYOUKRPHX-CYBMUJFWSA-N 1 0 307.394 2.966 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000119966697 195072235 /nfs/dbraw/zinc/07/22/35/195072235.db2.gz GYPZZKIRYJKJLR-LBPRGKRZSA-N 1 0 323.418 2.669 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000120042312 195086144 /nfs/dbraw/zinc/08/61/44/195086144.db2.gz HFANEUUKKSDFHM-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO CO[C@]1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602684627 399519514 /nfs/dbraw/zinc/51/95/14/399519514.db2.gz ICTBEGWYYGLWRP-RDJZCZTQSA-N 1 0 320.389 2.580 20 5 DFBDRO CC(C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N1CCOCC1 ZINC000120133561 195103282 /nfs/dbraw/zinc/10/32/82/195103282.db2.gz NCXNJBBUUSTEKU-RHSMWYFYSA-N 1 0 321.421 2.602 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000262579618 285085875 /nfs/dbraw/zinc/08/58/75/285085875.db2.gz YTGQTFIQHSZFQC-KOLCDFICSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(O)CCC(F)(F)CC2)cc1 ZINC000602716745 399536611 /nfs/dbraw/zinc/53/66/11/399536611.db2.gz CRDHSSNCLTYQHB-UHFFFAOYSA-N 1 0 314.332 2.667 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)[C@@H](O)c2ccccc2)cc1[N+](=O)[O-] ZINC000288632246 220305296 /nfs/dbraw/zinc/30/52/96/220305296.db2.gz STVVOJNYDQPWTK-SJKOYZFVSA-N 1 0 316.357 2.815 20 5 DFBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000602752350 399556234 /nfs/dbraw/zinc/55/62/34/399556234.db2.gz LRPPDMALUBAKJB-XQDHMALISA-N 1 0 301.390 2.634 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCOc1ccccc1 ZINC000602766685 399561942 /nfs/dbraw/zinc/56/19/42/399561942.db2.gz PBRUIKVHQBFCHS-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)nc2c1 ZINC000317346696 285141465 /nfs/dbraw/zinc/14/14/65/285141465.db2.gz YNSPHCLIMABLQS-QWRGUYRKSA-N 1 0 301.350 2.510 20 5 DFBDRO Cc1nc(C)c([C@@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])s1 ZINC000602775336 399567275 /nfs/dbraw/zinc/56/72/75/399567275.db2.gz HXDAVRLUZKYKST-SNVBAGLBSA-N 1 0 323.422 2.866 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CC[C@@H]([NH+]4CCCC4)C3)ccc2c1 ZINC000301160452 285149868 /nfs/dbraw/zinc/14/98/68/285149868.db2.gz RYTBJBVUHKLRDB-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO CCn1cnnc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000158204260 197253066 /nfs/dbraw/zinc/25/30/66/197253066.db2.gz LVSGBPDBBSJIBI-UHFFFAOYSA-N 1 0 312.333 2.675 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000602778142 399568227 /nfs/dbraw/zinc/56/82/27/399568227.db2.gz FKUSLZPMDLQSIS-CZUORRHYSA-N 1 0 314.389 2.978 20 5 DFBDRO CC(C)[C@@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[C@@H](C)[NH3+] ZINC000423169546 296387731 /nfs/dbraw/zinc/38/77/31/296387731.db2.gz WJBWKMIBRIUYKF-CZUORRHYSA-N 1 0 321.421 2.653 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602803008 399581196 /nfs/dbraw/zinc/58/11/96/399581196.db2.gz UNUCKJFNMNHIOD-GFCCVEGCSA-N 1 0 318.377 2.849 20 5 DFBDRO COc1ccc([C@@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000602803246 399581256 /nfs/dbraw/zinc/58/12/56/399581256.db2.gz AORCHIVHNZPBSM-HNNXBMFYSA-N 1 0 316.361 2.578 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000602802609 399581413 /nfs/dbraw/zinc/58/14/13/399581413.db2.gz RJJFQNKBUQQXIH-CQSZACIVSA-N 1 0 306.391 2.902 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000602806508 399582771 /nfs/dbraw/zinc/58/27/71/399582771.db2.gz VCMDHFCBBQHWCT-CHWSQXEVSA-N 1 0 302.378 2.882 20 5 DFBDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602803676 399580765 /nfs/dbraw/zinc/58/07/65/399580765.db2.gz ZTMNRRRUSJZAKH-SNVBAGLBSA-N 1 0 322.340 2.598 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000602808801 399583781 /nfs/dbraw/zinc/58/37/81/399583781.db2.gz ZNVSWVYFDSZZDU-VIFPVBQESA-N 1 0 310.304 2.729 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423220056 296393631 /nfs/dbraw/zinc/39/36/31/296393631.db2.gz XVFXAKZJYDYSFF-CHWSQXEVSA-N 1 0 307.394 2.644 20 5 DFBDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602810058 399585092 /nfs/dbraw/zinc/58/50/92/399585092.db2.gz KMOLFKQOJWVGPV-INIZCTEOSA-N 1 0 314.389 2.937 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)cc1[N+](=O)[O-] ZINC000271387539 208871690 /nfs/dbraw/zinc/87/16/90/208871690.db2.gz FLDQGUNTBMPIRP-CQSZACIVSA-N 1 0 306.362 2.679 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000423224676 296394269 /nfs/dbraw/zinc/39/42/69/296394269.db2.gz JVLACAYOMQFSDC-HNNXBMFYSA-N 1 0 319.405 2.551 20 5 DFBDRO CCS[C@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602815123 399586608 /nfs/dbraw/zinc/58/66/08/399586608.db2.gz CBJBTYRVNNIDRR-OLZOCXBDSA-N 1 0 312.439 2.754 20 5 DFBDRO CCc1ccc([C@@H](NCC[NH2+]C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423239928 296396004 /nfs/dbraw/zinc/39/60/04/296396004.db2.gz GJEZHGCUWVEPGM-INIZCTEOSA-N 1 0 303.362 2.649 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000423273781 296399466 /nfs/dbraw/zinc/39/94/66/296399466.db2.gz JJCHVGGGQYVOGD-SWLSCSKDSA-N 1 0 319.405 2.859 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156541825 197121929 /nfs/dbraw/zinc/12/19/29/197121929.db2.gz BRXDSKKKBLSQNE-WCQYABFASA-N 1 0 307.394 2.859 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156072051 197084604 /nfs/dbraw/zinc/08/46/04/197084604.db2.gz NHUSREOEFKFDEM-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000347904164 285234390 /nfs/dbraw/zinc/23/43/90/285234390.db2.gz LXCSZTDBNGDJKO-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000347919632 285246428 /nfs/dbraw/zinc/24/64/28/285246428.db2.gz SABOZHUSAOHCNY-AWEZNQCLSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000066137598 542457766 /nfs/dbraw/zinc/45/77/66/542457766.db2.gz CZRVAYDAAUBZBX-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CC(C)(C)[NH2+]CCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602881077 399613741 /nfs/dbraw/zinc/61/37/41/399613741.db2.gz CHALOHLKNGOALU-UHFFFAOYSA-N 1 0 319.405 2.521 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423456119 296417831 /nfs/dbraw/zinc/41/78/31/296417831.db2.gz MZFMQZBHJRXQQY-CQSZACIVSA-N 1 0 317.389 2.685 20 5 DFBDRO Cc1cnccc1NC(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000120429970 195165668 /nfs/dbraw/zinc/16/56/68/195165668.db2.gz UAZVHKPTRRTKEC-UHFFFAOYSA-N 1 0 312.329 2.888 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CCO)c2ccccc2)cc1 ZINC000271603003 209051575 /nfs/dbraw/zinc/05/15/75/209051575.db2.gz ABUDNDCGROYGTN-KRWDZBQOSA-N 1 0 316.357 2.687 20 5 DFBDRO Cc1cc(Cl)c(C(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000294850841 224263622 /nfs/dbraw/zinc/26/36/22/224263622.db2.gz GIYPNKDCJWNFTF-JTQLQIEISA-N 1 0 313.785 2.627 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423611293 296433451 /nfs/dbraw/zinc/43/34/51/296433451.db2.gz NSVVYUMKZNIRKP-HNNXBMFYSA-N 1 0 323.418 2.518 20 5 DFBDRO CN(C)c1cc[nH+]c(NC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000612346556 399629579 /nfs/dbraw/zinc/62/95/79/399629579.db2.gz KGDOYJPVENXDLA-UHFFFAOYSA-N 1 0 314.345 2.627 20 5 DFBDRO Cc1nnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000289970380 221352046 /nfs/dbraw/zinc/35/20/46/221352046.db2.gz WAVGLUQWRFGNMZ-UHFFFAOYSA-N 1 0 312.782 2.740 20 5 DFBDRO C[C@](CO)(NCc1ncccc1Cl)c1cccc([N+](=O)[O-])c1 ZINC000602962798 399641450 /nfs/dbraw/zinc/64/14/50/399641450.db2.gz PBNYLBWQIXDVMU-OAHLLOKOSA-N 1 0 321.764 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)cc1 ZINC000602997464 399654550 /nfs/dbraw/zinc/65/45/50/399654550.db2.gz KQQFEABYXJXYJM-ZACQAIPSSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)n1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000603185762 399705122 /nfs/dbraw/zinc/70/51/22/399705122.db2.gz LISCMNGBUBRRBF-YGRLFVJLSA-N 1 0 303.366 2.842 20 5 DFBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000121586416 195310924 /nfs/dbraw/zinc/31/09/24/195310924.db2.gz UALBEEUCJHWEPO-UHFFFAOYSA-N 1 0 301.346 2.543 20 5 DFBDRO CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000122783361 195500382 /nfs/dbraw/zinc/50/03/82/195500382.db2.gz QDXOHVUITIJULJ-LBPRGKRZSA-N 1 0 305.378 2.565 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCOC1 ZINC000348139739 285377008 /nfs/dbraw/zinc/37/70/08/285377008.db2.gz JHJKDOPOBXORKP-GHMZBOCLSA-N 1 0 305.334 2.641 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCCO1 ZINC000278862452 285408145 /nfs/dbraw/zinc/40/81/45/285408145.db2.gz RGAGDBKEAQQEJB-NOLJZWGESA-N 1 0 308.378 2.748 20 5 DFBDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000294985040 533478235 /nfs/dbraw/zinc/47/82/35/533478235.db2.gz GYCIDJGRYJRSEA-VIFPVBQESA-N 1 0 318.320 2.835 20 5 DFBDRO C[C@@H](CCCC[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000313923211 533541339 /nfs/dbraw/zinc/54/13/39/533541339.db2.gz BIMJPHMULQGZBL-QMMMGPOBSA-N 1 0 306.288 2.938 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423968840 296469806 /nfs/dbraw/zinc/46/98/06/296469806.db2.gz VGRIJLGBDDQVLD-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299577093 291995221 /nfs/dbraw/zinc/99/52/21/291995221.db2.gz CVWSJZSEZOTWPO-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284093702 131048648 /nfs/dbraw/zinc/04/86/48/131048648.db2.gz BOJWJSGOMWOEJY-GFCCVEGCSA-N 1 0 302.378 2.748 20 5 DFBDRO CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000424038725 296478984 /nfs/dbraw/zinc/47/89/84/296478984.db2.gz ITHOHUIKCOUVKC-ZDUSSCGKSA-N 1 0 323.418 2.507 20 5 DFBDRO CCc1ccc(C(=O)N2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000424068947 296482278 /nfs/dbraw/zinc/48/22/78/296482278.db2.gz IFIOBOAFFAJHFI-XUJVJEKNSA-N 1 0 319.405 2.603 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000164181675 132130219 /nfs/dbraw/zinc/13/02/19/132130219.db2.gz FQUUDZLHGUATBF-GXTWGEPZSA-N 1 0 320.393 2.753 20 5 DFBDRO O=[N+]([O-])c1ncccc1NCC1([NH+]2CCSCC2)CCCC1 ZINC000603854119 399809607 /nfs/dbraw/zinc/80/96/07/399809607.db2.gz WZWZMPMKFDCCOY-UHFFFAOYSA-N 1 0 322.434 2.763 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000216077250 542875020 /nfs/dbraw/zinc/87/50/20/542875020.db2.gz IPUAJXSQOFKEOA-RKDXNWHRSA-N 1 0 303.284 2.787 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000222949339 542885662 /nfs/dbraw/zinc/88/56/62/542885662.db2.gz PEKSZPYWFWUZIH-QGZVFWFLSA-N 1 0 300.358 2.678 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424417849 296508164 /nfs/dbraw/zinc/50/81/64/296508164.db2.gz OSZYQZCIPPTTEQ-CHWSQXEVSA-N 1 0 306.366 2.549 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000604482926 399848993 /nfs/dbraw/zinc/84/89/93/399848993.db2.gz QDQCWDIXNRBTIN-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000604554359 399855499 /nfs/dbraw/zinc/85/54/99/399855499.db2.gz QOMKLLLNJHVUQU-ZDUSSCGKSA-N 1 0 302.334 2.666 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000604557543 399855714 /nfs/dbraw/zinc/85/57/14/399855714.db2.gz PUXOJURWZURCCR-HNNXBMFYSA-N 1 0 314.389 2.750 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000339675405 543145670 /nfs/dbraw/zinc/14/56/70/543145670.db2.gz FBIRXDYOWZGYRA-SECBINFHSA-N 1 0 303.284 2.754 20 5 DFBDRO CC(C)[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000339828038 543146911 /nfs/dbraw/zinc/14/69/11/543146911.db2.gz RPNPNWISXSTBQU-MRXNPFEDSA-N 1 0 308.378 2.721 20 5 DFBDRO Cn1cc([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)cn1 ZINC000604558080 399856163 /nfs/dbraw/zinc/85/61/63/399856163.db2.gz XEQHYRUIGTVQSX-ZDUSSCGKSA-N 1 0 300.362 2.708 20 5 DFBDRO C[NH+](C)C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000052554778 425884649 /nfs/dbraw/zinc/88/46/49/425884649.db2.gz HCTWLTITBUJOBQ-MRXNPFEDSA-N 1 0 313.357 2.628 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349202874 285804521 /nfs/dbraw/zinc/80/45/21/285804521.db2.gz QUJNNDWMHBQWTL-QPUJVOFHSA-N 1 0 322.283 2.567 20 5 DFBDRO Cc1cc(NCCC[S@@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000167379039 145241150 /nfs/dbraw/zinc/24/11/50/145241150.db2.gz GVLTYESSJICNBC-NRFANRHFSA-N 1 0 307.375 2.632 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(F)cc3)C2)nc1 ZINC000173464143 145344427 /nfs/dbraw/zinc/34/44/27/145344427.db2.gz JNQLTYQTNUCRJC-CQSZACIVSA-N 1 0 316.336 2.815 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000174062513 145366179 /nfs/dbraw/zinc/36/61/79/145366179.db2.gz FDBOAHSTZQPUCZ-UPJWGTAASA-N 1 0 305.378 2.645 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC000191357875 145887850 /nfs/dbraw/zinc/88/78/50/145887850.db2.gz DBTNITOILKYBSV-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245874658 146105089 /nfs/dbraw/zinc/10/50/89/146105089.db2.gz JXKFBZRZCBOYJL-FVQBIDKESA-N 1 0 320.389 2.897 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000245909567 146109511 /nfs/dbraw/zinc/10/95/11/146109511.db2.gz MGBMNTPUCAHKTK-AAEUAGOBSA-N 1 0 305.378 2.820 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000248920491 146178765 /nfs/dbraw/zinc/17/87/65/146178765.db2.gz VZTQYAFVFNLAOR-WFASDCNBSA-N 1 0 306.362 2.534 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000249063661 146185558 /nfs/dbraw/zinc/18/55/58/146185558.db2.gz JVRAQMAUAZZKRY-OUCADQQQSA-N 1 0 308.378 2.805 20 5 DFBDRO [NH3+]C1(CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])CCCCC1 ZINC000261740050 146269195 /nfs/dbraw/zinc/26/91/95/146269195.db2.gz SCSWYRAQCZCPSI-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261772191 146275301 /nfs/dbraw/zinc/27/53/01/146275301.db2.gz RBCNDRQYVLWOQW-FUNVUKJBSA-N 1 0 312.373 2.862 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261850183 146288949 /nfs/dbraw/zinc/28/89/49/146288949.db2.gz ZSKPJNFKVQJSCE-HNNXBMFYSA-N 1 0 318.377 2.591 20 5 DFBDRO Cc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cccc1[N+](=O)[O-] ZINC000261846348 146289566 /nfs/dbraw/zinc/28/95/66/146289566.db2.gz ZHRQGODFKFVNKV-HNNXBMFYSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c2ccncc21 ZINC000261858109 146290930 /nfs/dbraw/zinc/29/09/30/146290930.db2.gz FLCNSMMFRDMKSM-LBPRGKRZSA-N 1 0 300.362 2.945 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261893945 146296953 /nfs/dbraw/zinc/29/69/53/146296953.db2.gz OAMDULOHUDIXRX-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO C[C@@H](Nc1ccc2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[NH2+]C1 ZINC000261926365 146302601 /nfs/dbraw/zinc/30/26/01/146302601.db2.gz ISHVHAHPJKPMCY-DGCLKSJQSA-N 1 0 300.362 2.943 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261942587 146307814 /nfs/dbraw/zinc/30/78/14/146307814.db2.gz LQSJDBDOENGKHO-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO [NH3+][C@H]1Cc2ccccc2N(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000261982005 146315916 /nfs/dbraw/zinc/31/59/16/146315916.db2.gz AMYSBPHXNLCVSI-ZDUSSCGKSA-N 1 0 301.321 2.624 20 5 DFBDRO C[C@@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000262005824 146321483 /nfs/dbraw/zinc/32/14/83/146321483.db2.gz VUYYRZRFHJUZDS-LLVKDONJSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262044291 146326386 /nfs/dbraw/zinc/32/63/86/146326386.db2.gz CEJXPGBHTJFSLC-NEPJUHHUSA-N 1 0 300.362 2.943 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000262088665 146331842 /nfs/dbraw/zinc/33/18/42/146331842.db2.gz HSFJERBQFOIEEJ-ZDUSSCGKSA-N 1 0 305.378 2.541 20 5 DFBDRO [NH3+]C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000262336931 146352317 /nfs/dbraw/zinc/35/23/17/146352317.db2.gz TVJXEWTVGPOZBD-AWEZNQCLSA-N 1 0 306.366 2.624 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000354422596 147030840 /nfs/dbraw/zinc/03/08/40/147030840.db2.gz GSQWGISGUKZTCJ-TZMCWYRMSA-N 1 0 319.405 2.848 20 5 DFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508423 147062700 /nfs/dbraw/zinc/06/27/00/147062700.db2.gz NLCQFKJSHGVBGV-JSGCOSHPSA-N 1 0 313.361 2.632 20 5 DFBDRO Cn1cc(CN2CC[C@](C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000355360119 147283778 /nfs/dbraw/zinc/28/37/78/147283778.db2.gz AFVWDBWVTUDRCA-INIZCTEOSA-N 1 0 318.352 2.929 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000438482313 297094937 /nfs/dbraw/zinc/09/49/37/297094937.db2.gz XWHSTGMOQMFKFW-ZDUSSCGKSA-N 1 0 305.378 2.820 20 5 DFBDRO COc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000350111207 286005715 /nfs/dbraw/zinc/00/57/15/286005715.db2.gz VWKUWOHWRKHLMV-UHFFFAOYSA-N 1 0 301.346 2.639 20 5 DFBDRO CCCC[N@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000357548839 148032663 /nfs/dbraw/zinc/03/26/63/148032663.db2.gz BQZNRMXCQVLVQD-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000357562538 148038148 /nfs/dbraw/zinc/03/81/48/148038148.db2.gz FLKNAVGWRFMPRZ-VIFPVBQESA-N 1 0 309.395 2.740 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000357666935 148077452 /nfs/dbraw/zinc/07/74/52/148077452.db2.gz RTUVGAAVDNKZAS-YPMHNXCESA-N 1 0 306.366 2.507 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000358024853 148217149 /nfs/dbraw/zinc/21/71/49/148217149.db2.gz NGWZVSUJEQWSBF-AWEZNQCLSA-N 1 0 308.378 2.898 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358250432 148303801 /nfs/dbraw/zinc/30/38/01/148303801.db2.gz PEHHSZRRQUOVEV-OWCLPIDISA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318726 148328095 /nfs/dbraw/zinc/32/80/95/148328095.db2.gz NDWNSBSNVHCMGH-HIFRSBDPSA-N 1 0 320.389 2.974 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)CC(F)(F)F ZINC000358358349 148340756 /nfs/dbraw/zinc/34/07/56/148340756.db2.gz RVKMTYYNDFZGMS-JQWIXIFHSA-N 1 0 320.311 2.819 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000358400287 148347649 /nfs/dbraw/zinc/34/76/49/148347649.db2.gz OMKZXLOXAZXUSC-CYBMUJFWSA-N 1 0 305.378 2.822 20 5 DFBDRO CCOCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000343934735 286028767 /nfs/dbraw/zinc/02/87/67/286028767.db2.gz OGAJTSPTQXVHOV-ZIAGYGMSSA-N 1 0 324.425 2.927 20 5 DFBDRO Cc1ccc(-c2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)cc1[N+](=O)[O-] ZINC000361023332 149011082 /nfs/dbraw/zinc/01/10/82/149011082.db2.gz UYZHCGMWKCOHFV-ZYHUDNBSSA-N 1 0 302.334 2.618 20 5 DFBDRO Cc1cc(Cc2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)ccc1[N+](=O)[O-] ZINC000361263842 149070398 /nfs/dbraw/zinc/07/03/98/149070398.db2.gz WEWJQEXFKCEDMR-YPMHNXCESA-N 1 0 316.361 2.542 20 5 DFBDRO Cc1c(Cc2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)cccc1[N+](=O)[O-] ZINC000361265811 149070422 /nfs/dbraw/zinc/07/04/22/149070422.db2.gz PMVIJLSFRJPMSQ-GWCFXTLKSA-N 1 0 316.361 2.542 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2C[C@H]3CCCCC[C@H]32)c1 ZINC000361343154 149090675 /nfs/dbraw/zinc/09/06/75/149090675.db2.gz VBSLSAWTSZFYAP-FRFSOERESA-N 1 0 320.389 2.599 20 5 DFBDRO C[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000361467336 149123409 /nfs/dbraw/zinc/12/34/09/149123409.db2.gz HSCVQUANJKBAAG-CABCVRRESA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc2ncsc2c1 ZINC000362570444 149312219 /nfs/dbraw/zinc/31/22/19/149312219.db2.gz SAQIEZQXZZPTNN-SNVBAGLBSA-N 1 0 317.374 2.752 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000366857954 149504667 /nfs/dbraw/zinc/50/46/67/149504667.db2.gz NBOMAPKPZGEJQX-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1nc(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)no1 ZINC000368844959 149708492 /nfs/dbraw/zinc/70/84/92/149708492.db2.gz JZZPXCCPWMJVDD-UHFFFAOYSA-N 1 0 302.334 2.666 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3CC[C@H](C4CC4)C3)o2)cc1 ZINC000371343597 150026760 /nfs/dbraw/zinc/02/67/60/150026760.db2.gz HJDJAFAKTPDAJB-ZDUSSCGKSA-N 1 0 314.345 2.877 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N(C1CC1)C1CC[NH2+]CC1 ZINC000372024708 150127016 /nfs/dbraw/zinc/12/70/16/150127016.db2.gz BLRDNZXPXNHGQM-UHFFFAOYSA-N 1 0 323.780 2.605 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351598461 286164847 /nfs/dbraw/zinc/16/48/47/286164847.db2.gz CDEFDBQSGAPQHG-UHFFFAOYSA-N 1 0 312.345 2.587 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000372810253 150186923 /nfs/dbraw/zinc/18/69/23/150186923.db2.gz OURQXHUIGIBEHV-XJKSGUPXSA-N 1 0 306.362 2.651 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000372899814 150199876 /nfs/dbraw/zinc/19/98/76/150199876.db2.gz APIFFVFOITXHSU-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO O=[N+]([O-])c1cnn(CCN2CC[C@@](F)(c3ccc(F)cc3)C2)c1 ZINC000374328876 150345920 /nfs/dbraw/zinc/34/59/20/150345920.db2.gz UACAZBIFBFKFIK-HNNXBMFYSA-N 1 0 322.315 2.501 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cccc1[N+](=O)[O-] ZINC000374469069 150372121 /nfs/dbraw/zinc/37/21/21/150372121.db2.gz NDONZYZJMOGBPK-AAEUAGOBSA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374526641 150373468 /nfs/dbraw/zinc/37/34/68/150373468.db2.gz KDTINGJESZSEBL-BJJXKVORSA-N 1 0 306.362 2.584 20 5 DFBDRO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000351728898 286204623 /nfs/dbraw/zinc/20/46/23/286204623.db2.gz IVMFZSBSZKLGGZ-ZIAGYGMSSA-N 1 0 300.305 2.920 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([NH+]2CCCC2)CC1 ZINC000351825074 286227240 /nfs/dbraw/zinc/22/72/40/286227240.db2.gz GIEGCIHUFVMFTF-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909340 286242153 /nfs/dbraw/zinc/24/21/53/286242153.db2.gz UCZRSJILVALEMM-INIZCTEOSA-N 1 0 303.406 2.827 20 5 DFBDRO C[C@H](C[NH+](C)C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000351922791 286245411 /nfs/dbraw/zinc/24/54/11/286245411.db2.gz KOFKSZAJERLTHH-LLVKDONJSA-N 1 0 322.409 2.964 20 5 DFBDRO CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000351932727 286248881 /nfs/dbraw/zinc/24/88/81/286248881.db2.gz XDHQTZAVASYGSL-UHFFFAOYSA-N 1 0 312.753 2.681 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cc1[N+](=O)[O-] ZINC000427896077 296671541 /nfs/dbraw/zinc/67/15/41/296671541.db2.gz VAFSKIGYLVYCBZ-GXTWGEPZSA-N 1 0 300.362 2.765 20 5 DFBDRO CC(C)C[NH+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])CC1 ZINC000352354428 286351295 /nfs/dbraw/zinc/35/12/95/286351295.db2.gz AHWRAKSZOHSFOE-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000371413708 292292164 /nfs/dbraw/zinc/29/21/64/292292164.db2.gz XUFFPHLMZSMDFA-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352541241 286402801 /nfs/dbraw/zinc/40/28/01/286402801.db2.gz VMGVOKONXXIHSH-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1[N+](=O)[O-] ZINC000352553270 286405831 /nfs/dbraw/zinc/40/58/31/286405831.db2.gz BDXNDRSXKOWYQC-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO CN(C)c1cccnc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353194628 286576402 /nfs/dbraw/zinc/57/64/02/286576402.db2.gz PWTDUFJAWRNLEM-YVMONPNESA-N 1 0 312.373 2.859 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429448968 296745429 /nfs/dbraw/zinc/74/54/29/296745429.db2.gz LQNUSDJKOPGMRT-MWLCHTKSSA-N 1 0 318.320 2.660 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000185390238 158057267 /nfs/dbraw/zinc/05/72/67/158057267.db2.gz SKKLZVLVJNFCFU-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000246958247 158108357 /nfs/dbraw/zinc/10/83/57/158108357.db2.gz IJSSNWDCISYTOM-SWLSCSKDSA-N 1 0 318.377 2.543 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[C@@H](C)C1 ZINC000247272605 158126162 /nfs/dbraw/zinc/12/61/62/158126162.db2.gz FOABYYKUPCKHAF-XJKSGUPXSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000247985024 158155421 /nfs/dbraw/zinc/15/54/21/158155421.db2.gz ITHCTBLYGZHUCR-DOTOQJQBSA-N 1 0 303.406 2.819 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000248415525 158173575 /nfs/dbraw/zinc/17/35/75/158173575.db2.gz HZZFGBNYVWQULD-KCPJHIHWSA-N 1 0 317.389 2.704 20 5 DFBDRO Cc1ccnc(NCC[N@@H+](C)Cc2ccc(F)cc2)c1[N+](=O)[O-] ZINC000301563834 158219958 /nfs/dbraw/zinc/21/99/58/158219958.db2.gz VAVAWKVWCXZCIZ-UHFFFAOYSA-N 1 0 318.352 2.981 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000355060424 158264345 /nfs/dbraw/zinc/26/43/45/158264345.db2.gz OEUFQKUYMVJFPY-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H](C)C1CCC1 ZINC000357041724 158355012 /nfs/dbraw/zinc/35/50/12/158355012.db2.gz PLVQXISDJKNNDW-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000358368702 158372181 /nfs/dbraw/zinc/37/21/81/158372181.db2.gz OYODFFCWMOBIID-CQSZACIVSA-N 1 0 314.389 2.847 20 5 DFBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@H]1C ZINC000358392720 158376221 /nfs/dbraw/zinc/37/62/21/158376221.db2.gz XPQKOXOMNQKGLT-KGLIPLIRSA-N 1 0 319.405 2.516 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000053204837 425887175 /nfs/dbraw/zinc/88/71/75/425887175.db2.gz KSYCTVAJSDGSHW-SECBINFHSA-N 1 0 303.284 2.802 20 5 DFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000432325078 296871856 /nfs/dbraw/zinc/87/18/56/296871856.db2.gz JNBVSVQWGVLSTQ-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CC(O)C2)cc1[N+](=O)[O-] ZINC000432409771 296876565 /nfs/dbraw/zinc/87/65/65/296876565.db2.gz IWPUHVAFDQQKAP-LKSINWNRSA-N 1 0 308.378 2.805 20 5 DFBDRO Cc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000129507876 196053986 /nfs/dbraw/zinc/05/39/86/196053986.db2.gz KMJMASCGMVEJQY-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000129789165 196076105 /nfs/dbraw/zinc/07/61/05/196076105.db2.gz QIIYVNIVMVFYKS-WBMJQRKESA-N 1 0 307.394 2.882 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000129805003 196077368 /nfs/dbraw/zinc/07/73/68/196077368.db2.gz DUBOZKYPHHKXFI-ABAIWWIYSA-N 1 0 305.378 2.938 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000129822231 196078586 /nfs/dbraw/zinc/07/85/86/196078586.db2.gz WEXXKFGFKKJUAT-LBPRGKRZSA-N 1 0 323.393 2.756 20 5 DFBDRO COc1ccc(-c2ccc(C[N@H+](C)C[C@@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000130636508 196098293 /nfs/dbraw/zinc/09/82/93/196098293.db2.gz BRVXEZPJYHYSLC-LLVKDONJSA-N 1 0 320.345 2.676 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000433060452 296897166 /nfs/dbraw/zinc/89/71/66/296897166.db2.gz HBYFYVPCDSDKEO-NEXFUWMNSA-N 1 0 320.389 2.503 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000433060427 296897392 /nfs/dbraw/zinc/89/73/92/296897392.db2.gz YLDIZFRQZADILL-KWVKFQHESA-N 1 0 320.389 2.503 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134431734 196390589 /nfs/dbraw/zinc/39/05/89/196390589.db2.gz GEXPVKHIKBLIQY-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CSC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000433065943 296897751 /nfs/dbraw/zinc/89/77/51/296897751.db2.gz FLWJJHJXLADIQA-NWDGAFQWSA-N 1 0 310.423 2.760 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)cc1 ZINC000433313126 296906177 /nfs/dbraw/zinc/90/61/77/296906177.db2.gz UGSKYPVDXLTXLZ-UHFFFAOYSA-N 1 0 312.329 2.910 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000055177562 425892397 /nfs/dbraw/zinc/89/23/97/425892397.db2.gz IQFCZQWYCOGSRK-UHFFFAOYSA-N 1 0 319.405 2.718 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000194494326 292584410 /nfs/dbraw/zinc/58/44/10/292584410.db2.gz PQJBMAPWZANBEG-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000297155933 226786717 /nfs/dbraw/zinc/78/67/17/226786717.db2.gz MHAIDPBFAWYNPT-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@H]1C[NH2+]CCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435373792 296957981 /nfs/dbraw/zinc/95/79/81/296957981.db2.gz FXOJGOYRRBWFAZ-NSHDSACASA-N 1 0 318.402 2.512 20 5 DFBDRO COc1cc(N2CCC([NH+]3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000301869516 229950453 /nfs/dbraw/zinc/95/04/53/229950453.db2.gz IFLLJIWDUFBXNL-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000302025319 230042538 /nfs/dbraw/zinc/04/25/38/230042538.db2.gz PUFZWFYRIMHPEV-LLVKDONJSA-N 1 0 311.407 2.569 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CC=C(C)CC1 ZINC000302147710 230124014 /nfs/dbraw/zinc/12/40/14/230124014.db2.gz KFHRBHLUSFMMTJ-UHFFFAOYSA-N 1 0 305.378 2.805 20 5 DFBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302270909 230207942 /nfs/dbraw/zinc/20/79/42/230207942.db2.gz RXGRMGSUOQVUIT-UHFFFAOYSA-N 1 0 314.389 2.982 20 5 DFBDRO COCC[NH+]1CCC(CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000302467413 230256849 /nfs/dbraw/zinc/25/68/49/230256849.db2.gz BSESPQLAYNSXFI-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2ccccc2[N+](=O)[O-])o1 ZINC000068366458 425917688 /nfs/dbraw/zinc/91/76/88/425917688.db2.gz ZLXXETVUAVMVPI-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO CC(C)N(C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155736698 425924926 /nfs/dbraw/zinc/92/49/26/425924926.db2.gz TZSITWAUVKCERE-INIZCTEOSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000026476529 425811974 /nfs/dbraw/zinc/81/19/74/425811974.db2.gz FPUVFLYGZCSOJR-FZMZJTMJSA-N 1 0 305.378 2.704 20 5 DFBDRO C[NH+]1CCC(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000194988438 268122833 /nfs/dbraw/zinc/12/28/33/268122833.db2.gz IRRCCIZAYJDQDV-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000245457848 268164303 /nfs/dbraw/zinc/16/43/03/268164303.db2.gz UOIHMNDDCDZSQO-XJKSGUPXSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000248368251 268165871 /nfs/dbraw/zinc/16/58/71/268165871.db2.gz UZBVSUJKVLRGBB-WXHSDQCUSA-N 1 0 305.378 2.961 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000269004515 268187681 /nfs/dbraw/zinc/18/76/81/268187681.db2.gz ZEAKEGZPAMPEQN-SJORKVTESA-N 1 0 319.405 2.775 20 5 DFBDRO Cc1noc(CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1 ZINC000270863515 268227652 /nfs/dbraw/zinc/22/76/52/268227652.db2.gz ILOBUFHOHKPJBH-UHFFFAOYSA-N 1 0 316.361 2.883 20 5 DFBDRO Cc1cc(NCCC(=O)NC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272865381 268253549 /nfs/dbraw/zinc/25/35/49/268253549.db2.gz RLKGDEDDZQFQKX-UHFFFAOYSA-N 1 0 316.361 2.778 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3CCCC[C@H]3C2)c1 ZINC000296467463 268306410 /nfs/dbraw/zinc/30/64/10/268306410.db2.gz JUDVCFYOMCMXJF-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO COc1cc(N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC000324346953 268350644 /nfs/dbraw/zinc/35/06/44/268350644.db2.gz YVKKBSSDWUPWDF-LSDHHAIUSA-N 1 0 313.357 2.535 20 5 DFBDRO CC[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000125874529 425993638 /nfs/dbraw/zinc/99/36/38/425993638.db2.gz WCLUSNCDWPYEPC-LBPRGKRZSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000104388502 425964873 /nfs/dbraw/zinc/96/48/73/425964873.db2.gz UCPQOFLHOVIMIT-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CC(C)[C@H]([NH3+])CNc1ccc(Br)cc1[N+](=O)[O-] ZINC000070544193 425972810 /nfs/dbraw/zinc/97/28/10/425972810.db2.gz AABSFXDNWPJZRV-SECBINFHSA-N 1 0 302.172 2.753 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc([N+](=O)[O-])c1 ZINC000161879058 426044202 /nfs/dbraw/zinc/04/42/02/426044202.db2.gz WVSMCWAMRMPQQG-AWEZNQCLSA-N 1 0 319.405 2.611 20 5 DFBDRO CC1(C)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000127006662 426046205 /nfs/dbraw/zinc/04/62/05/426046205.db2.gz GRDDADQQKUKSEX-UHFFFAOYSA-N 1 0 305.378 2.706 20 5 DFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860144 426087745 /nfs/dbraw/zinc/08/77/45/426087745.db2.gz VUAZYUOJRYGYNJ-HNNXBMFYSA-N 1 0 321.421 2.780 20 5 DFBDRO COc1ccc(CN(C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000075861382 426088424 /nfs/dbraw/zinc/08/84/24/426088424.db2.gz MIDDQRLCBAMCRR-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408317 426099112 /nfs/dbraw/zinc/09/91/12/426099112.db2.gz OGDREKATFGBTOE-DLBZAZTESA-N 1 0 321.421 2.746 20 5 DFBDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000113343281 426112918 /nfs/dbraw/zinc/11/29/18/426112918.db2.gz NAAZCULWIRDKKB-ZDUSSCGKSA-N 1 0 321.377 2.694 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000337999308 268595922 /nfs/dbraw/zinc/59/59/22/268595922.db2.gz SVILNUYVYUNGSR-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO CN(C)[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000166202568 426125440 /nfs/dbraw/zinc/12/54/40/426125440.db2.gz NMUSPTZZFPCPKA-AEFFLSMTSA-N 1 0 317.433 2.846 20 5 DFBDRO COc1ccc(C[N@H+](C(C)C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000077323327 426127582 /nfs/dbraw/zinc/12/75/82/426127582.db2.gz YTFLDYKVMZEINL-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000077319161 426128304 /nfs/dbraw/zinc/12/83/04/426128304.db2.gz NALGLCZUMJJZTO-CHWSQXEVSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000162903244 426082363 /nfs/dbraw/zinc/08/23/63/426082363.db2.gz XUDKWSABBNKNLL-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1noc([C@H]2CCCN(Cc3c(F)cccc3[N+](=O)[O-])C2)n1 ZINC000171631585 426201370 /nfs/dbraw/zinc/20/13/70/426201370.db2.gz YXHXEMVETKQIEQ-NSHDSACASA-N 1 0 320.324 2.805 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000078583899 426175805 /nfs/dbraw/zinc/17/58/05/426175805.db2.gz ZFXPEAYEOCCQHN-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@](C)(O)c1ccccc1 ZINC000171226912 426177287 /nfs/dbraw/zinc/17/72/87/426177287.db2.gz CUZBECJGTMWUGX-KRWDZBQOSA-N 1 0 300.358 2.934 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc([N+](=O)[O-])cc3Cl)CC[C@@H]21 ZINC000133750507 426184091 /nfs/dbraw/zinc/18/40/91/426184091.db2.gz UPXHWHOECCJUAG-GWCFXTLKSA-N 1 0 310.785 2.564 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[NH+](CC2CC2)CC1 ZINC000116273495 426185884 /nfs/dbraw/zinc/18/58/84/426185884.db2.gz COQPFUSCOOLEGO-UHFFFAOYSA-N 1 0 309.797 2.776 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000116276498 426186747 /nfs/dbraw/zinc/18/67/47/426186747.db2.gz NIWFSNAHEVPTQK-CQSZACIVSA-N 1 0 309.797 2.918 20 5 DFBDRO O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171446852 426190327 /nfs/dbraw/zinc/19/03/27/426190327.db2.gz DFZGRDDSGKDTCT-GFCCVEGCSA-N 1 0 323.780 2.559 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000134773250 426196010 /nfs/dbraw/zinc/19/60/10/426196010.db2.gz DRUSPKQIHQHYFV-CYBMUJFWSA-N 1 0 323.780 2.559 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079625524 426198517 /nfs/dbraw/zinc/19/85/17/426198517.db2.gz XTMNDSBFBJYGEU-LBPRGKRZSA-N 1 0 320.393 2.757 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000079639616 426199477 /nfs/dbraw/zinc/19/94/77/426199477.db2.gz USVZYQNKEFTNSY-GFCCVEGCSA-N 1 0 317.311 2.569 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000171617413 426200112 /nfs/dbraw/zinc/20/01/12/426200112.db2.gz OZZZLPBTEWYWMJ-DOMZBBRYSA-N 1 0 301.350 2.584 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570438 426224997 /nfs/dbraw/zinc/22/49/97/426224997.db2.gz KIDMYYRWWRNCIH-AWEZNQCLSA-N 1 0 321.421 2.767 20 5 DFBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000172855591 426231671 /nfs/dbraw/zinc/23/16/71/426231671.db2.gz KYWVXPOMOLTIQR-QWHCGFSZSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1c(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118792987 426245504 /nfs/dbraw/zinc/24/55/04/426245504.db2.gz DWXSWUGXLUDDTF-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000174972958 426270958 /nfs/dbraw/zinc/27/09/58/426270958.db2.gz XFDSEVWFYSEBRR-VXGBXAGGSA-N 1 0 323.418 2.664 20 5 DFBDRO CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1=O ZINC000174997335 426273111 /nfs/dbraw/zinc/27/31/11/426273111.db2.gz JMKRGMYWGPVHLB-SWLSCSKDSA-N 1 0 305.378 2.645 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CCCCO)C1CC1 ZINC000175259101 426292094 /nfs/dbraw/zinc/29/20/94/426292094.db2.gz MMJDBQYBYZYIIK-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000175357919 426299204 /nfs/dbraw/zinc/29/92/04/426299204.db2.gz VNNBXHMYBUECCW-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000175612896 426318494 /nfs/dbraw/zinc/31/84/94/426318494.db2.gz TYJLTKLTQIUSEN-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090539345 426327011 /nfs/dbraw/zinc/32/70/11/426327011.db2.gz FGULBVFCOIVRMR-MRXNPFEDSA-N 1 0 320.368 2.787 20 5 DFBDRO CCC(CC)[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)CC(C)C ZINC000090551667 426328137 /nfs/dbraw/zinc/32/81/37/426328137.db2.gz SHXLHKVDSCZTKH-UHFFFAOYSA-N 1 0 309.410 2.903 20 5 DFBDRO COCC[N@H+](C)CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000153752851 426404273 /nfs/dbraw/zinc/40/42/73/426404273.db2.gz BBSNNQUEEIYLHQ-CQSZACIVSA-N 1 0 309.410 2.522 20 5 DFBDRO CC[C@@H](NC(=O)NCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000176082669 426350546 /nfs/dbraw/zinc/35/05/46/426350546.db2.gz BPEFKVFMSVPYOX-OAHLLOKOSA-N 1 0 322.409 2.685 20 5 DFBDRO COc1c(C)cc(C[N@H+](C)CCn2ccc([N+](=O)[O-])n2)cc1C ZINC000176225217 426361645 /nfs/dbraw/zinc/36/16/45/426361645.db2.gz HIOKSWWBHZPCHL-UHFFFAOYSA-N 1 0 318.377 2.549 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccn1 ZINC000153038913 426367403 /nfs/dbraw/zinc/36/74/03/426367403.db2.gz GFPYYCNHEAEQFH-UHFFFAOYSA-N 1 0 301.346 2.543 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000153045659 426367918 /nfs/dbraw/zinc/36/79/18/426367918.db2.gz MSVUXPPZPIFZSF-ZFWWWQNUSA-N 1 0 312.373 2.919 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)cc1[N+](=O)[O-] ZINC000153209585 426376610 /nfs/dbraw/zinc/37/66/10/426376610.db2.gz CZKSWXFZPYNAJW-JSGCOSHPSA-N 1 0 307.394 2.738 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+](CCO)C2CC2)o1 ZINC000153606163 426393991 /nfs/dbraw/zinc/39/39/91/426393991.db2.gz PZEJACGKAZUHOM-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO C[C@H]1C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000122998225 426407532 /nfs/dbraw/zinc/40/75/32/426407532.db2.gz KMZJETLNBHSABF-STQMWFEESA-N 1 0 305.378 2.536 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000153848099 426410408 /nfs/dbraw/zinc/41/04/08/426410408.db2.gz KFXFVLPUIPLSPE-GFCCVEGCSA-N 1 0 324.812 2.955 20 5 DFBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000123172079 426417002 /nfs/dbraw/zinc/41/70/02/426417002.db2.gz OLRNQUQWMMWGNQ-UHFFFAOYSA-N 1 0 314.769 2.533 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123396759 426431268 /nfs/dbraw/zinc/43/12/68/426431268.db2.gz AKSDYYMVZKMILB-RHSMWYFYSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@H]1C[C@H](N(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000123415070 426431735 /nfs/dbraw/zinc/43/17/35/426431735.db2.gz QWOVLWLLEPVBGF-LWSBZWIYSA-N 1 0 317.389 2.549 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177111022 426445371 /nfs/dbraw/zinc/44/53/71/426445371.db2.gz DQZJJSRZTJATDI-KOLCDFICSA-N 1 0 323.780 2.603 20 5 DFBDRO Cc1cc(NC[C@]2(C)CCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340844405 269020663 /nfs/dbraw/zinc/02/06/63/269020663.db2.gz RUYCUTYMOWWXBA-INIZCTEOSA-N 1 0 301.346 2.712 20 5 DFBDRO Cc1c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000341061957 269036906 /nfs/dbraw/zinc/03/69/06/269036906.db2.gz ATJOWLMXQQDWMC-STQMWFEESA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000341065811 269037572 /nfs/dbraw/zinc/03/75/72/269037572.db2.gz VCBIPGSDEDDIQN-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341065374 269037781 /nfs/dbraw/zinc/03/77/81/269037781.db2.gz URQINGBWYXMLRS-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO COCCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154850369 426457812 /nfs/dbraw/zinc/45/78/12/426457812.db2.gz NQCQFKKWXVNRRB-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO Cc1cccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000288261386 426517612 /nfs/dbraw/zinc/51/76/12/426517612.db2.gz GNEVXLXPHIQLIQ-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177835588 426528745 /nfs/dbraw/zinc/52/87/45/426528745.db2.gz MXECAUZICARAAN-ZFWWWQNUSA-N 1 0 319.405 2.955 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000186444856 426529693 /nfs/dbraw/zinc/52/96/93/426529693.db2.gz KVMBNIUYSACOIN-HIFRSBDPSA-N 1 0 321.377 2.866 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)[C@@H]1C ZINC000177913273 426536628 /nfs/dbraw/zinc/53/66/28/426536628.db2.gz HJTWAAFDFWKQRF-GHMZBOCLSA-N 1 0 302.334 2.875 20 5 DFBDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000195718967 426542132 /nfs/dbraw/zinc/54/21/32/426542132.db2.gz MEMGCAKPSGRHBF-JSGCOSHPSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000280299482 426543880 /nfs/dbraw/zinc/54/38/80/426543880.db2.gz FSFITURNNMIZOH-DVOMOZLQSA-N 1 0 306.362 2.536 20 5 DFBDRO CN(C(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000177525076 426492538 /nfs/dbraw/zinc/49/25/38/426492538.db2.gz IFDXSWBBXQUGEV-ZIAGYGMSSA-N 1 0 317.389 2.680 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186268266 426498578 /nfs/dbraw/zinc/49/85/78/426498578.db2.gz IYTSCQCARWNFKF-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cccc1[N+](=O)[O-] ZINC000186279658 426499083 /nfs/dbraw/zinc/49/90/83/426499083.db2.gz OFVNSMKYSGEDRE-CYBMUJFWSA-N 1 0 319.405 2.898 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000264532609 426569280 /nfs/dbraw/zinc/56/92/80/426569280.db2.gz KAEQHYDXOYDALQ-LLVKDONJSA-N 1 0 324.377 2.813 20 5 DFBDRO C[C@](O)(CNCc1ccc([N+](=O)[O-])cc1Cl)C(F)(F)F ZINC000273050364 426581946 /nfs/dbraw/zinc/58/19/46/426581946.db2.gz KFYDHHLYFCIERD-JTQLQIEISA-N 1 0 312.675 2.651 20 5 DFBDRO COC1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000265195587 426595485 /nfs/dbraw/zinc/59/54/85/426595485.db2.gz IHZZZISEYNCTLN-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO COc1ccc(C[N@@H+](C)C2CCC(OC)CC2)cc1[N+](=O)[O-] ZINC000265215102 426599515 /nfs/dbraw/zinc/59/95/15/426599515.db2.gz NHBAMFRQIXBZCV-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO CCc1ccc([C@@H](CNc2ncc([N+](=O)[O-])cn2)[NH+](C)C)cc1 ZINC000273149171 426602506 /nfs/dbraw/zinc/60/25/06/426602506.db2.gz HDXSVXLNDDCTLX-OAHLLOKOSA-N 1 0 315.377 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2c(F)cccc2F)cc1 ZINC000273152608 426603060 /nfs/dbraw/zinc/60/30/60/426603060.db2.gz XQUIMXWXYCTXJO-HNNXBMFYSA-N 1 0 322.311 2.739 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000280621211 426616725 /nfs/dbraw/zinc/61/67/25/426616725.db2.gz ZXQQFASNIQKWJH-AWEZNQCLSA-N 1 0 320.389 2.673 20 5 DFBDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178485185 426638395 /nfs/dbraw/zinc/63/83/95/426638395.db2.gz YTLNHUYSKAANDW-SNVBAGLBSA-N 1 0 319.386 2.539 20 5 DFBDRO CC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273302123 426639112 /nfs/dbraw/zinc/63/91/12/426639112.db2.gz ZYBHRQNUZLHFKM-INIZCTEOSA-N 1 0 319.405 2.894 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000230420680 426649355 /nfs/dbraw/zinc/64/93/55/426649355.db2.gz RYGITPWRLGHUCL-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273362294 426649361 /nfs/dbraw/zinc/64/93/61/426649361.db2.gz DFQZUMGBBFUHDK-GOSISDBHSA-N 1 0 314.385 2.987 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000273399266 426657651 /nfs/dbraw/zinc/65/76/51/426657651.db2.gz LWLVJMTYPUCKJR-OAHLLOKOSA-N 1 0 306.362 2.679 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178646745 426668855 /nfs/dbraw/zinc/66/88/55/426668855.db2.gz JGHQJLLSJVLRMO-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178672409 426672424 /nfs/dbraw/zinc/67/24/24/426672424.db2.gz JLKNWDWDYVEYFD-SWLSCSKDSA-N 1 0 307.394 2.796 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000178686100 426676685 /nfs/dbraw/zinc/67/66/85/426676685.db2.gz RNHKCHODTLQGQP-GXTWGEPZSA-N 1 0 305.378 2.563 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CCC=C(C)C2)cccc1[N+](=O)[O-] ZINC000280889456 426678307 /nfs/dbraw/zinc/67/83/07/426678307.db2.gz PXDHNXQCGPODTD-UHFFFAOYSA-N 1 0 303.362 2.884 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1[N+](=O)[O-] ZINC000273248211 426626195 /nfs/dbraw/zinc/62/61/95/426626195.db2.gz GPZFZSSJOIYBKV-DZGCQCFKSA-N 1 0 322.405 2.832 20 5 DFBDRO COc1cnccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000187064247 426626842 /nfs/dbraw/zinc/62/68/42/426626842.db2.gz ZJJJMJLDOIYYHF-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO CC[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000178764051 426690035 /nfs/dbraw/zinc/69/00/35/426690035.db2.gz RCPFJNZATBKOHT-MRXNPFEDSA-N 1 0 321.421 2.746 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000238086499 426708882 /nfs/dbraw/zinc/70/88/82/426708882.db2.gz LMYQRUDBLFDIST-AUECHBEKSA-N 1 0 317.389 2.632 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1(CCO)CC1)C1CC1 ZINC000188070303 426720030 /nfs/dbraw/zinc/72/00/30/426720030.db2.gz YSLCJJQDRJEJJL-HNNXBMFYSA-N 1 0 304.390 2.668 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000280952545 426694117 /nfs/dbraw/zinc/69/41/17/426694117.db2.gz HZFZOMFJEOZBJN-UHFFFAOYSA-N 1 0 318.377 2.595 20 5 DFBDRO CC(C)(C)C1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000179215285 426771422 /nfs/dbraw/zinc/77/14/22/426771422.db2.gz WDJOWUBBRXYPJY-UHFFFAOYSA-N 1 0 307.394 2.515 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000274457533 426772052 /nfs/dbraw/zinc/77/20/52/426772052.db2.gz JLVDVJHHJVVTNH-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179396639 426785348 /nfs/dbraw/zinc/78/53/48/426785348.db2.gz KZBORAYZLCWDGT-LLVKDONJSA-N 1 0 323.393 2.559 20 5 DFBDRO [NH3+]CC[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000281900958 426787174 /nfs/dbraw/zinc/78/71/74/426787174.db2.gz HURNYUMZAMUMQR-LLVKDONJSA-N 1 0 317.345 2.542 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000266534428 426734652 /nfs/dbraw/zinc/73/46/52/426734652.db2.gz NNXIFYYIRKYPJR-CHWSQXEVSA-N 1 0 306.362 2.741 20 5 DFBDRO CCOc1cc(N(C)CC2([NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000188517920 426759004 /nfs/dbraw/zinc/75/90/04/426759004.db2.gz QDFDLDLFIWSLKG-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000188976196 426805255 /nfs/dbraw/zinc/80/52/55/426805255.db2.gz QZBKBZJRCRSIJN-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180392563 426857389 /nfs/dbraw/zinc/85/73/89/426857389.db2.gz KRAAOSVCIWKNNS-IHRRRGAJSA-N 1 0 319.405 2.750 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000189075606 426815652 /nfs/dbraw/zinc/81/56/52/426815652.db2.gz MQVKTTCKJDIRCA-ZDUSSCGKSA-N 1 0 320.349 2.568 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(Cl)s1 ZINC000267059798 426818517 /nfs/dbraw/zinc/81/85/17/426818517.db2.gz IHLLIIQJNTYYSR-UHFFFAOYSA-N 1 0 300.771 2.638 20 5 DFBDRO CC[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC000246455579 426834226 /nfs/dbraw/zinc/83/42/26/426834226.db2.gz YKIRANMWZPSIGZ-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3nccs3)CC2)cs1 ZINC000282143379 426837573 /nfs/dbraw/zinc/83/75/73/426837573.db2.gz HEBSASXAGUJFGR-UHFFFAOYSA-N 1 0 324.431 2.871 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C[N@@H+]1C1CC1 ZINC000290785752 426839074 /nfs/dbraw/zinc/83/90/74/426839074.db2.gz NQXIZUQOSALYNL-GHMZBOCLSA-N 1 0 302.378 2.600 20 5 DFBDRO COc1ccc(OCC[N@H+](C)Cc2ccccn2)c([N+](=O)[O-])c1 ZINC000295177534 426850851 /nfs/dbraw/zinc/85/08/51/426850851.db2.gz PFSHTVXSHPFTDI-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000246664251 426853837 /nfs/dbraw/zinc/85/38/37/426853837.db2.gz WPLVWIAIYQLEMG-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282217168 426856090 /nfs/dbraw/zinc/85/60/90/426856090.db2.gz YKPCCJMMRCYFEZ-GWCFXTLKSA-N 1 0 309.341 2.841 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290565496 426795138 /nfs/dbraw/zinc/79/51/38/426795138.db2.gz ARQKSSAJQPGAOU-ZDUSSCGKSA-N 1 0 322.409 2.514 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCC1 ZINC000275800624 426921736 /nfs/dbraw/zinc/92/17/36/426921736.db2.gz YKMMOIHXNKSWRG-CQSZACIVSA-N 1 0 305.422 2.990 20 5 DFBDRO Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282289843 426874242 /nfs/dbraw/zinc/87/42/42/426874242.db2.gz LKTLPHWQVRDJJW-UHFFFAOYSA-N 1 0 321.352 2.855 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246906723 426876372 /nfs/dbraw/zinc/87/63/72/426876372.db2.gz HZQGKEYNBWNBET-CABCVRRESA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2cccc(Cl)c2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000267996289 426888503 /nfs/dbraw/zinc/88/85/03/426888503.db2.gz RBSUGFCIVIHGJD-UWVGGRQHSA-N 1 0 323.780 2.603 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000247030374 426894399 /nfs/dbraw/zinc/89/43/99/426894399.db2.gz HSEGGJICVOSJAC-DOMZBBRYSA-N 1 0 319.405 2.616 20 5 DFBDRO C[NH+](C)C[C@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000268096096 426911371 /nfs/dbraw/zinc/91/13/71/426911371.db2.gz ATLOQAVCUGJILC-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000189802571 426954669 /nfs/dbraw/zinc/95/46/69/426954669.db2.gz CRBDWEXXRODEDJ-ZDUSSCGKSA-N 1 0 319.405 2.742 20 5 DFBDRO [NH3+][C@@H]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)C[C@H]12 ZINC000320020267 426963808 /nfs/dbraw/zinc/96/38/08/426963808.db2.gz UPIOKNWCIKMROL-UBHAPETDSA-N 1 0 315.295 2.787 20 5 DFBDRO COCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000291778566 426984281 /nfs/dbraw/zinc/98/42/81/426984281.db2.gz UQBMVSUVENWFQN-GQCTYLIASA-N 1 0 320.389 2.641 20 5 DFBDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000283271976 426987329 /nfs/dbraw/zinc/98/73/29/426987329.db2.gz LILMUYGOZNISNF-VXGBXAGGSA-N 1 0 323.418 2.749 20 5 DFBDRO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C[NH+](C)C ZINC000291644600 426937107 /nfs/dbraw/zinc/93/71/07/426937107.db2.gz BKAPPWXKWIYHTH-MRVPVSSYSA-N 1 0 306.288 2.618 20 5 DFBDRO Cc1nccn1CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000337951925 427057691 /nfs/dbraw/zinc/05/76/91/427057691.db2.gz OTPVZOYWLCRVFR-DAXSKMNVSA-N 1 0 300.362 2.793 20 5 DFBDRO Cc1cnc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000268363985 426999257 /nfs/dbraw/zinc/99/92/57/426999257.db2.gz XMHOHODBZRNVOE-ZIAGYGMSSA-N 1 0 322.409 2.600 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000248474815 427005610 /nfs/dbraw/zinc/00/56/10/427005610.db2.gz XKFHCYMATWMHBJ-RRFJBIMHSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1nc(N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)ccc1[N+](=O)[O-] ZINC000268443769 427018318 /nfs/dbraw/zinc/01/83/18/427018318.db2.gz DHNWNHNTGRXYQI-KGLIPLIRSA-N 1 0 304.394 2.750 20 5 DFBDRO CCOC(=O)C1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000182195848 427024424 /nfs/dbraw/zinc/02/44/24/427024424.db2.gz PNGSYOYHIFEHJP-UHFFFAOYSA-N 1 0 320.389 2.849 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000268464979 427026821 /nfs/dbraw/zinc/02/68/21/427026821.db2.gz LKBCNOMWZOOQDD-DGCLKSJQSA-N 1 0 315.377 2.962 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000291941492 427033672 /nfs/dbraw/zinc/03/36/72/427033672.db2.gz PVAJSYKCDZPNKB-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO CN(c1ncccc1[N+](=O)[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268520533 427042389 /nfs/dbraw/zinc/04/23/89/427042389.db2.gz ZZMNPVZQQURDTJ-OAHLLOKOSA-N 1 0 312.373 2.701 20 5 DFBDRO COCCCn1nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296014709 427046610 /nfs/dbraw/zinc/04/66/10/427046610.db2.gz LXKJRJBMOHNOKL-ZDUSSCGKSA-N 1 0 318.377 2.679 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000292004233 427053407 /nfs/dbraw/zinc/05/34/07/427053407.db2.gz TUSYIVDPMNPLCI-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000296094753 427071414 /nfs/dbraw/zinc/07/14/14/427071414.db2.gz YJCVIAMOQFEQBV-WDEREUQCSA-N 1 0 303.366 2.805 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)C1 ZINC000292062424 427074917 /nfs/dbraw/zinc/07/49/17/427074917.db2.gz CRGZJLGYJLUSSJ-HNNXBMFYSA-N 1 0 309.797 2.776 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000276470984 427077056 /nfs/dbraw/zinc/07/70/56/427077056.db2.gz YQMONVKIOAMDAD-LBPRGKRZSA-N 1 0 308.382 2.673 20 5 DFBDRO C[C@@H]1[C@@H](O)CCCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000296130610 427087298 /nfs/dbraw/zinc/08/72/98/427087298.db2.gz JCIFTZJCZKVDHJ-RNCFNFMXSA-N 1 0 318.295 2.959 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000338002582 427087640 /nfs/dbraw/zinc/08/76/40/427087640.db2.gz RSKDSCUAAFIBOW-KGLIPLIRSA-N 1 0 319.405 2.896 20 5 DFBDRO CS[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000296152988 427091511 /nfs/dbraw/zinc/09/15/11/427091511.db2.gz GWUDAZNNTGNOKI-ZDUSSCGKSA-N 1 0 323.418 2.669 20 5 DFBDRO COc1cccc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1[N+](=O)[O-] ZINC000249277181 427101304 /nfs/dbraw/zinc/10/13/04/427101304.db2.gz DLYGNYSGOVGUDP-QWHCGFSZSA-N 1 0 305.378 2.524 20 5 DFBDRO CS[C@H]1CC[N@H+](CCC(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000296212260 427112457 /nfs/dbraw/zinc/11/24/57/427112457.db2.gz JRISQVWFOJAWNU-LBPRGKRZSA-N 1 0 323.418 2.669 20 5 DFBDRO COC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182630807 427114034 /nfs/dbraw/zinc/11/40/34/427114034.db2.gz VNNXYMBZIZLHON-LBPRGKRZSA-N 1 0 306.362 2.849 20 5 DFBDRO CCn1cc([C@H](C)[NH2+]CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000296241248 427121322 /nfs/dbraw/zinc/12/13/22/427121322.db2.gz XBCHCRFBXNTTRO-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000249520602 427122704 /nfs/dbraw/zinc/12/27/04/427122704.db2.gz LYXHNKSSTKNMPU-RMRKRWHISA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000338066966 427124797 /nfs/dbraw/zinc/12/47/97/427124797.db2.gz KHVWOEMTVPEHGG-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284127939 427138702 /nfs/dbraw/zinc/13/87/02/427138702.db2.gz OCCPXWMOQCHLCQ-NSHDSACASA-N 1 0 301.346 2.520 20 5 DFBDRO C[C@H]1C[C@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000284133853 427139962 /nfs/dbraw/zinc/13/99/62/427139962.db2.gz PVEDWHHXYQLNNC-WDEREUQCSA-N 1 0 313.348 2.788 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)[C@@H]2CCO[C@@H]21 ZINC000296316017 427146298 /nfs/dbraw/zinc/14/62/98/427146298.db2.gz QACKZZQGLJINQO-FZZIBODNSA-N 1 0 312.316 2.776 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C)OCCCO2)cc1[N+](=O)[O-] ZINC000190660009 427157169 /nfs/dbraw/zinc/15/71/69/427157169.db2.gz LJUDTIZGTOSICC-LBPRGKRZSA-N 1 0 324.377 2.797 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152757225 271046476 /nfs/dbraw/zinc/04/64/76/271046476.db2.gz MNAHGXQJOMLCHC-CVEARBPZSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000162505866 271085283 /nfs/dbraw/zinc/08/52/83/271085283.db2.gz YOHOLFCEXLWGJX-UHFFFAOYSA-N 1 0 322.409 2.955 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000174085694 271126034 /nfs/dbraw/zinc/12/60/34/271126034.db2.gz QPZSQFGFYMTPKF-ZDUSSCGKSA-N 1 0 319.405 2.761 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000174111811 271127902 /nfs/dbraw/zinc/12/79/02/271127902.db2.gz GKTZSHXCRUAEKN-CYBMUJFWSA-N 1 0 319.405 2.619 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000175042099 271145117 /nfs/dbraw/zinc/14/51/17/271145117.db2.gz OKLQPZXGGKRBDN-GDBMZVCRSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236610260 271240000 /nfs/dbraw/zinc/24/00/00/271240000.db2.gz QJWODFGZBBLSRL-HZRUHFOJSA-N 1 0 323.368 2.579 20 5 DFBDRO COc1cc(N2CC[NH+](C3CCCC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000270489462 271297436 /nfs/dbraw/zinc/29/74/36/271297436.db2.gz CKWKOOKGSKYHKU-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000270534332 271304393 /nfs/dbraw/zinc/30/43/93/271304393.db2.gz VRGHVBOZJKRUIW-NUEKZKHPSA-N 1 0 302.374 2.685 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)F ZINC000296288570 271351697 /nfs/dbraw/zinc/35/16/97/271351697.db2.gz FIHZCNYFGIDJJV-BFHYXJOUSA-N 1 0 314.332 2.966 20 5 DFBDRO CCC[NH2+][C@H](C)C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000296420752 427175480 /nfs/dbraw/zinc/17/54/80/427175480.db2.gz MPBXIPVJBGHCDA-SNVBAGLBSA-N 1 0 313.785 2.595 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000269371676 427182676 /nfs/dbraw/zinc/18/26/76/427182676.db2.gz MPISLLDSWYKKHC-UHFFFAOYSA-N 1 0 312.801 2.952 20 5 DFBDRO CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183029927 427185559 /nfs/dbraw/zinc/18/55/59/427185559.db2.gz GPXCVUMCXSXGBF-VXGBXAGGSA-N 1 0 305.378 2.508 20 5 DFBDRO O=c1cc(C[N@H+]2CC[C@@H](CO)C2)c2c(ccc3ccccc32)o1 ZINC000269400692 427187411 /nfs/dbraw/zinc/18/74/11/427187411.db2.gz CMVQVGOGQVKFNY-CYBMUJFWSA-N 1 0 309.365 2.760 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+]2CCC1CC2 ZINC000190888457 427197013 /nfs/dbraw/zinc/19/70/13/427197013.db2.gz HISCMJLFXMYPED-UHFFFAOYSA-N 1 0 324.768 2.560 20 5 DFBDRO CC(=O)c1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000292773232 427198493 /nfs/dbraw/zinc/19/84/93/427198493.db2.gz LGRWJGCNGSACKV-KRWDZBQOSA-N 1 0 317.389 2.720 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000285395780 427219653 /nfs/dbraw/zinc/21/96/53/427219653.db2.gz CHENHFPGXSLZPS-ZDUSSCGKSA-N 1 0 318.295 2.874 20 5 DFBDRO C[C@@H](CCNC(=O)Cc1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000183112593 427201448 /nfs/dbraw/zinc/20/14/48/427201448.db2.gz JZQRQLSWMAPGFN-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@H]([NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCCO1 ZINC000183131028 427208435 /nfs/dbraw/zinc/20/84/35/427208435.db2.gz SLYZFTWWPMHTSL-NHYWBVRUSA-N 1 0 317.345 2.907 20 5 DFBDRO COc1ccc(C[NH2+]C[C@H]2CCCCN2C2CC2)cc1[N+](=O)[O-] ZINC000277494708 427222303 /nfs/dbraw/zinc/22/23/03/427222303.db2.gz OFGNOKSGZYDJRY-OAHLLOKOSA-N 1 0 319.405 2.710 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000183221925 427225676 /nfs/dbraw/zinc/22/56/76/427225676.db2.gz GDZYCPNZBCIPMM-AWEZNQCLSA-N 1 0 307.394 2.798 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000330399461 427230126 /nfs/dbraw/zinc/23/01/26/427230126.db2.gz RMMRWDQNRVGPMY-TZMCWYRMSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183257674 427235922 /nfs/dbraw/zinc/23/59/22/427235922.db2.gz MMXKPNUJJFNBEG-LBPRGKRZSA-N 1 0 316.357 2.947 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000337227049 271481192 /nfs/dbraw/zinc/48/11/92/271481192.db2.gz GCMOSHHBKJTFHF-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO CC[N@@H+](Cc1ccccn1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269653222 427240221 /nfs/dbraw/zinc/24/02/21/427240221.db2.gz NITTWXNWBPYXHP-MRXNPFEDSA-N 1 0 301.346 2.545 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000269686244 427250312 /nfs/dbraw/zinc/25/03/12/427250312.db2.gz ZXOKVEYLEJFDTL-CABCVRRESA-N 1 0 310.419 2.702 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269709646 427257662 /nfs/dbraw/zinc/25/76/62/427257662.db2.gz NQTJQESDROYRRM-UHFFFAOYSA-N 1 0 321.421 2.684 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183428576 427266059 /nfs/dbraw/zinc/26/60/59/427266059.db2.gz YPSWWTMCVAXMBK-GFCCVEGCSA-N 1 0 302.378 2.834 20 5 DFBDRO CCCCCNC(=O)[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338345123 427268596 /nfs/dbraw/zinc/26/85/96/427268596.db2.gz DXWWTLRUWLFMLO-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO COCC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000338352999 427272762 /nfs/dbraw/zinc/27/27/62/427272762.db2.gz WAXOTBZHOFWWDQ-CQSZACIVSA-N 1 0 323.393 2.574 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccccc1 ZINC000285569253 427276818 /nfs/dbraw/zinc/27/68/18/427276818.db2.gz JPXNSRKQFHVHON-MRXNPFEDSA-N 1 0 300.362 2.892 20 5 DFBDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000191175813 427278503 /nfs/dbraw/zinc/27/85/03/427278503.db2.gz LBJQUDXIWNLIKF-STQMWFEESA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000285651043 427300204 /nfs/dbraw/zinc/30/02/04/427300204.db2.gz ZXKOUUBESNIJCJ-CZUORRHYSA-N 1 0 319.405 2.686 20 5 DFBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H](O)Cc1ccc(F)cc1 ZINC000293435136 427323008 /nfs/dbraw/zinc/32/30/08/427323008.db2.gz JOLZNXBSZVLCMA-MRXNPFEDSA-N 1 0 318.348 2.769 20 5 DFBDRO Cc1nc(NC[C@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000297086095 427324349 /nfs/dbraw/zinc/32/43/49/427324349.db2.gz KEZFTXZVCJDTJF-LBPRGKRZSA-N 1 0 315.377 2.626 20 5 DFBDRO C[C@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000285756599 427329649 /nfs/dbraw/zinc/32/96/49/427329649.db2.gz VUZYBRQGPAWKPV-CABCVRRESA-N 1 0 312.316 2.920 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000331118356 427348350 /nfs/dbraw/zinc/34/83/50/427348350.db2.gz LNPCYEULPQJQAS-CHWSQXEVSA-N 1 0 319.405 2.892 20 5 DFBDRO COC[C@@H]1CC[N@@H+]1CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000293578678 427371356 /nfs/dbraw/zinc/37/13/56/427371356.db2.gz NOEOJJZHSJRNFH-AWEZNQCLSA-N 1 0 317.345 2.513 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](C)C[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000331238084 427376895 /nfs/dbraw/zinc/37/68/95/427376895.db2.gz IITSJPDAQCZIQF-MRXNPFEDSA-N 1 0 321.421 2.766 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000184052994 427382358 /nfs/dbraw/zinc/38/23/58/427382358.db2.gz PKUNAISVHJJHKJ-DOTOQJQBSA-N 1 0 303.406 2.962 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000278000062 427382904 /nfs/dbraw/zinc/38/29/04/427382904.db2.gz ODOPPHOKBKWHCP-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000191667891 427400500 /nfs/dbraw/zinc/40/05/00/427400500.db2.gz PQZYAVCDYXQMBG-DLBZAZTESA-N 1 0 322.405 2.501 20 5 DFBDRO O=C(NCC1CC[NH+](C2CC2)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000278079594 427401063 /nfs/dbraw/zinc/40/10/63/427401063.db2.gz OZHCJQKVXCYJJG-UHFFFAOYSA-N 1 0 318.377 2.591 20 5 DFBDRO C[NH+]1CCC(CCNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286070144 427415232 /nfs/dbraw/zinc/41/52/32/427415232.db2.gz CVXOVTGCHAUZJZ-UHFFFAOYSA-N 1 0 321.406 2.743 20 5 DFBDRO CN(CC[NH+](C)C)C(=O)c1cccc2c(=O)c3ccccc3[nH]c12 ZINC000278137225 427416187 /nfs/dbraw/zinc/41/61/87/427416187.db2.gz NQRQVOGIDQOYIJ-UHFFFAOYSA-N 1 0 323.396 2.727 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836653 427456698 /nfs/dbraw/zinc/45/66/98/427456698.db2.gz WRXBYQGBMLZASN-CHWSQXEVSA-N 1 0 309.410 2.842 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836656 427457434 /nfs/dbraw/zinc/45/74/34/427457434.db2.gz WRXBYQGBMLZASN-OLZOCXBDSA-N 1 0 309.410 2.842 20 5 DFBDRO C[NH+]1CCC(CC(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC1 ZINC000293850836 427461588 /nfs/dbraw/zinc/46/15/88/427461588.db2.gz CRGDJPNWUMQDKE-UHFFFAOYSA-N 1 0 319.405 2.678 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286275227 427475834 /nfs/dbraw/zinc/47/58/34/427475834.db2.gz DRBOTKCRDCTZRM-GXFFZTMASA-N 1 0 310.785 2.706 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286279765 427478886 /nfs/dbraw/zinc/47/88/86/427478886.db2.gz HZLPAMSFGJRABS-WFASDCNBSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338776940 427481443 /nfs/dbraw/zinc/48/14/43/427481443.db2.gz WIOVZJDKTBMIQC-DOMZBBRYSA-N 1 0 319.405 2.563 20 5 DFBDRO COc1cc(C[N@H+](C)CC2CCOCC2)c([N+](=O)[O-])cc1F ZINC000184292617 427431625 /nfs/dbraw/zinc/43/16/25/427431625.db2.gz IMWOPSZSIWHMBK-UHFFFAOYSA-N 1 0 312.341 2.601 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1[N+](=O)[O-] ZINC000271169561 427431994 /nfs/dbraw/zinc/43/19/94/427431994.db2.gz IKUAXILUHJVMAO-UHFFFAOYSA-N 1 0 320.389 2.878 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000297719201 427436190 /nfs/dbraw/zinc/43/61/90/427436190.db2.gz BUBUUXHDCYNRKS-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000286158993 427439416 /nfs/dbraw/zinc/43/94/16/427439416.db2.gz ONWSGZVPDPEFMY-SNVBAGLBSA-N 1 0 321.406 2.886 20 5 DFBDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000338791054 427491894 /nfs/dbraw/zinc/49/18/94/427491894.db2.gz LAEFSXRSQYQYON-UTUOFQBUSA-N 1 0 310.423 2.759 20 5 DFBDRO COc1cccc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1[N+](=O)[O-] ZINC000286347199 427500034 /nfs/dbraw/zinc/50/00/34/427500034.db2.gz MHLGHZBCRHMVQO-STQMWFEESA-N 1 0 305.378 2.666 20 5 DFBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCOCC1 ZINC000332072618 427501850 /nfs/dbraw/zinc/50/18/50/427501850.db2.gz XFUHLJMNAMPZEV-KBPBESRZSA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1c(C(=O)NCCCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000293991922 427515973 /nfs/dbraw/zinc/51/59/73/427515973.db2.gz SORMLGXEFDQVDD-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO Cc1cc(N[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000286408473 427518533 /nfs/dbraw/zinc/51/85/33/427518533.db2.gz MCHJSUBAMCIWTK-LBPRGKRZSA-N 1 0 315.377 2.722 20 5 DFBDRO C[C@H]1CCC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C1 ZINC000298270724 427555322 /nfs/dbraw/zinc/55/53/22/427555322.db2.gz GXDYUKIEEFDXIE-NSHDSACASA-N 1 0 302.334 2.877 20 5 DFBDRO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 ZINC000271419433 427528884 /nfs/dbraw/zinc/52/88/84/427528884.db2.gz BQGVDSBPBALIMV-BLLLJJGKSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@]12CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000298198092 427530835 /nfs/dbraw/zinc/53/08/35/427530835.db2.gz CBYXDWYLNXUTSD-KGLIPLIRSA-N 1 0 312.316 2.951 20 5 DFBDRO CCn1cnnc1CN[C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279091518 427555627 /nfs/dbraw/zinc/55/56/27/427555627.db2.gz NKFDGSNOJVFEIY-CQSZACIVSA-N 1 0 315.377 2.718 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000271434423 427534903 /nfs/dbraw/zinc/53/49/03/427534903.db2.gz DLVMJSZSPJJZIA-CABZTGNLSA-N 1 0 306.284 2.867 20 5 DFBDRO C[C@H]([NH2+]CCOc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271442483 427537728 /nfs/dbraw/zinc/53/77/28/427537728.db2.gz CMNGMGQBYAFENK-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000287073560 427552424 /nfs/dbraw/zinc/55/24/24/427552424.db2.gz VAOHIXRAUZPMDB-WMLDXEAASA-N 1 0 303.406 2.696 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192501120 427552871 /nfs/dbraw/zinc/55/28/71/427552871.db2.gz FSHWHDWNOHJUCL-BETUJISGSA-N 1 0 323.441 2.900 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000271509743 427567328 /nfs/dbraw/zinc/56/73/28/427567328.db2.gz NAZJCVWXFPCWAN-CABZTGNLSA-N 1 0 306.284 2.867 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[N@@H+](C(C)C)CC1 ZINC000332312417 427575952 /nfs/dbraw/zinc/57/59/52/427575952.db2.gz MDQTYKRYFLZXMF-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC000192695068 427588997 /nfs/dbraw/zinc/58/89/97/427588997.db2.gz FJYJRTKJYVZBOC-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192742408 427598745 /nfs/dbraw/zinc/59/87/45/427598745.db2.gz TVSZWDDQJGQYFT-LRDDRELGSA-N 1 0 319.405 2.867 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192742399 427599066 /nfs/dbraw/zinc/59/90/66/427599066.db2.gz TVSZWDDQJGQYFT-WBMJQRKESA-N 1 0 319.405 2.867 20 5 DFBDRO COc1cccc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1[N+](=O)[O-] ZINC000185148188 427601614 /nfs/dbraw/zinc/60/16/14/427601614.db2.gz RANKXIMQKPKPHR-STQMWFEESA-N 1 0 323.393 2.515 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCSC2)c1 ZINC000271953880 427602620 /nfs/dbraw/zinc/60/26/20/427602620.db2.gz RWIFVMHXHUTMFM-VIFPVBQESA-N 1 0 304.318 2.791 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287558211 427637046 /nfs/dbraw/zinc/63/70/46/427637046.db2.gz WSTCIIGWYPLHRN-DZGCQCFKSA-N 1 0 317.389 2.600 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cnccc21 ZINC000264059535 427646207 /nfs/dbraw/zinc/64/62/07/427646207.db2.gz DFJSIOQFKSATRY-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000279351274 427647388 /nfs/dbraw/zinc/64/73/88/427647388.db2.gz DDOFEWFBZQXTBE-LLVKDONJSA-N 1 0 319.361 2.801 20 5 DFBDRO CC[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000193023712 427653256 /nfs/dbraw/zinc/65/32/56/427653256.db2.gz GPEGBVHTNNDISK-MRXNPFEDSA-N 1 0 321.421 2.746 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000294758055 427653663 /nfs/dbraw/zinc/65/36/63/427653663.db2.gz DTEWQDNUXIRLEL-LLVKDONJSA-N 1 0 311.769 2.510 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000342579554 272027440 /nfs/dbraw/zinc/02/74/40/272027440.db2.gz UKCCGLYRQLFRQP-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000342692487 272042709 /nfs/dbraw/zinc/04/27/09/272042709.db2.gz DIQICSNJGIUDGV-LSDHHAIUSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[N@H+](CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)C(C)C ZINC000342943991 272069646 /nfs/dbraw/zinc/06/96/46/272069646.db2.gz DIUQNEKWLCAYIU-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000343354664 272125750 /nfs/dbraw/zinc/12/57/50/272125750.db2.gz VIHNNQKMGMTACB-FOSCPWQOSA-N 1 0 323.368 2.804 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@H]2c2cccnc2)cs1 ZINC000343384792 272132584 /nfs/dbraw/zinc/13/25/84/272132584.db2.gz BCOLIDOJZAUMTM-OCCSQVGLSA-N 1 0 305.359 2.671 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000343600023 272180017 /nfs/dbraw/zinc/18/00/17/272180017.db2.gz JCSSKJAUQSGOPK-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]([NH+]3CCCC3)[C@H]2C)n1 ZINC000343784915 272218665 /nfs/dbraw/zinc/21/86/65/272218665.db2.gz FFZHRSVWIRDIJH-KGLIPLIRSA-N 1 0 304.394 2.670 20 5 DFBDRO COC[C@@H]1C[C@H](OC)C[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000343892330 272232761 /nfs/dbraw/zinc/23/27/61/272232761.db2.gz YDXXXTAGQKLSGW-SYRBMCIYSA-N 1 0 320.389 2.734 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167926 272278678 /nfs/dbraw/zinc/27/86/78/272278678.db2.gz UTPZKINNLFVFQP-UONOGXRCSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000344243876 272296204 /nfs/dbraw/zinc/29/62/04/272296204.db2.gz PKZQSYMLISWZGS-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCCCS2)c([N+](=O)[O-])cc1O ZINC000344343428 272315912 /nfs/dbraw/zinc/31/59/12/272315912.db2.gz CLQBUIGCDRVLMO-LLVKDONJSA-N 1 0 312.391 2.684 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)c(F)c1 ZINC000344348247 272317369 /nfs/dbraw/zinc/31/73/69/272317369.db2.gz IKLLLIJNGTZHFW-MRXNPFEDSA-N 1 0 318.348 2.817 20 5 DFBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCOC1 ZINC000344363615 272320802 /nfs/dbraw/zinc/32/08/02/272320802.db2.gz DSRPHQNDLQCBPB-CQSZACIVSA-N 1 0 316.304 2.712 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193865239 427721352 /nfs/dbraw/zinc/72/13/52/427721352.db2.gz RRLOZUBQZJWTGG-CYBMUJFWSA-N 1 0 316.361 2.576 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000344832219 272375666 /nfs/dbraw/zinc/37/56/66/272375666.db2.gz NKWFUDWMRRHMJI-PPOCWRSBSA-N 1 0 318.295 2.901 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nnc2ccccn21 ZINC000344858387 272377349 /nfs/dbraw/zinc/37/73/49/272377349.db2.gz GVMWOAUPOGVMTQ-UKTHLTGXSA-N 1 0 323.356 2.831 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC[S@](C)=O ZINC000345044907 272397349 /nfs/dbraw/zinc/39/73/49/272397349.db2.gz SBDDDKTULATFAE-PNVROBSJSA-N 1 0 310.419 2.745 20 5 DFBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000295100692 427692332 /nfs/dbraw/zinc/69/23/32/427692332.db2.gz SRZULGORKAOTIG-HASJVIIQSA-N 1 0 300.305 2.602 20 5 DFBDRO CC/C=C/CN[C@H](c1nccn1C)c1ccc([N+](=O)[O-])cc1 ZINC000295117530 427699762 /nfs/dbraw/zinc/69/97/62/427699762.db2.gz WXPRILCGIBHXKV-RGDDUWESSA-N 1 0 300.362 2.974 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000185777817 427703926 /nfs/dbraw/zinc/70/39/26/427703926.db2.gz ZMHZVCKKVCORJZ-BYIUCRAPSA-N 1 0 317.389 2.551 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000295144053 427710554 /nfs/dbraw/zinc/71/05/54/427710554.db2.gz ZYNUKLIUBPVYFO-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO Cc1nc(CC[N@@H+](C)[C@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000272330158 427713226 /nfs/dbraw/zinc/71/32/26/427713226.db2.gz MJHZRTQHMYAGHU-LLVKDONJSA-N 1 0 304.350 2.830 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)CN1CCOCC1 ZINC000301345729 427790875 /nfs/dbraw/zinc/79/08/75/427790875.db2.gz GRMFYHHPGSTVIY-NSHDSACASA-N 1 0 313.785 2.628 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000299311017 427764252 /nfs/dbraw/zinc/76/42/52/427764252.db2.gz BRZSADFRUVTETP-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(-c2nc([C@@H]([NH3+])CC(C)C)no2)c1 ZINC000339389628 427766525 /nfs/dbraw/zinc/76/65/25/427766525.db2.gz HRCMMIBVWZTUOR-NSHDSACASA-N 1 0 306.322 2.699 20 5 DFBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000301207828 427781494 /nfs/dbraw/zinc/78/14/94/427781494.db2.gz SLPONNOYNMQRPN-UHFFFAOYSA-N 1 0 308.338 2.789 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301208444 427781681 /nfs/dbraw/zinc/78/16/81/427781681.db2.gz UXFGVDVKLODKDW-NSHDSACASA-N 1 0 320.349 2.932 20 5 DFBDRO CCC[N@@H+]1CCCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])CC1 ZINC000301273391 427785572 /nfs/dbraw/zinc/78/55/72/427785572.db2.gz KKGVXFSWTBPXPB-UHFFFAOYSA-N 1 0 305.378 2.720 20 5 DFBDRO COC1(CC[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000339203699 427729998 /nfs/dbraw/zinc/72/99/98/427729998.db2.gz XUGUDRWZDKPPDQ-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO Cc1c(C(=O)NC2CC[NH+](CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000194228198 427735409 /nfs/dbraw/zinc/73/54/09/427735409.db2.gz PFHXCGBEAXPAQO-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[NH+](C2CCCC2)CC1 ZINC000301373648 427792447 /nfs/dbraw/zinc/79/24/47/427792447.db2.gz WNQBECKEXIFSSG-UHFFFAOYSA-N 1 0 319.405 2.806 20 5 DFBDRO COCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000301429725 427795498 /nfs/dbraw/zinc/79/54/98/427795498.db2.gz FRPSZIRNIPCLPW-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO Cc1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c([N+](=O)[O-])c1 ZINC000301479977 427798706 /nfs/dbraw/zinc/79/87/06/427798706.db2.gz RHMWNXHUHIZKQE-KKUMJFAQSA-N 1 0 301.390 2.824 20 5 DFBDRO CCOc1cc(CN2C[C@H](C)[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000339616823 427801957 /nfs/dbraw/zinc/80/19/57/427801957.db2.gz MHNHUVAEHDKDID-STQMWFEESA-N 1 0 307.394 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339703065 427814719 /nfs/dbraw/zinc/81/47/19/427814719.db2.gz WEZQSUUBCOXSFO-QGZVFWFLSA-N 1 0 322.405 2.834 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCO[C@@H]2c2ccncc2)cc1 ZINC000337244115 427822835 /nfs/dbraw/zinc/82/28/35/427822835.db2.gz GWQANTMICWPUJO-IAGOWNOFSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCO[C@H]2c2ccncc2)c1 ZINC000337254931 427825205 /nfs/dbraw/zinc/82/52/05/427825205.db2.gz MOHHYNMEZGYUDI-IRXDYDNUSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)c(F)c1 ZINC000337279069 427829880 /nfs/dbraw/zinc/82/98/80/427829880.db2.gz GKYUXTMHMUYUFP-RYUDHWBXSA-N 1 0 304.268 2.984 20 5 DFBDRO CCCC[N@H+](C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000339794882 427830431 /nfs/dbraw/zinc/83/04/31/427830431.db2.gz ABKFPQJAHJSCIO-INIZCTEOSA-N 1 0 324.425 2.587 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000359413152 427841160 /nfs/dbraw/zinc/84/11/60/427841160.db2.gz OZFOGNDMZRTOFG-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000301926314 427842309 /nfs/dbraw/zinc/84/23/09/427842309.db2.gz JDYHMKOWICILTI-JSGCOSHPSA-N 1 0 309.341 2.781 20 5 DFBDRO COc1cc(C[N@@H+]2CCCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339826596 427842288 /nfs/dbraw/zinc/84/22/88/427842288.db2.gz NEARWHZZPYCSHT-INIZCTEOSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1cc(N2CC[C@@H](C)[C@@H](O)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302100179 427850158 /nfs/dbraw/zinc/85/01/58/427850158.db2.gz UUXORTHKOGDOSB-HWPZZCPQSA-N 1 0 301.346 2.659 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@]3(CCCOC3)C2)c1 ZINC000355733409 427866596 /nfs/dbraw/zinc/86/65/96/427866596.db2.gz AIJRJRNPFMPZTD-KRWDZBQOSA-N 1 0 320.389 2.866 20 5 DFBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000355739815 427868874 /nfs/dbraw/zinc/86/88/74/427868874.db2.gz BKPIWLNXFYZKII-KRWDZBQOSA-N 1 0 322.405 2.847 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000337372788 427870319 /nfs/dbraw/zinc/87/03/19/427870319.db2.gz PLXIVYVUHRYBDQ-STQMWFEESA-N 1 0 320.393 2.979 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCNc2cc(F)ccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000302821563 427876007 /nfs/dbraw/zinc/87/60/07/427876007.db2.gz QYKRBHNHIKBNHA-TXEJJXNPSA-N 1 0 311.357 2.645 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000349857383 427883258 /nfs/dbraw/zinc/88/32/58/427883258.db2.gz UNPGWADKGNGBML-ZFWWWQNUSA-N 1 0 310.394 2.730 20 5 DFBDRO COc1ccc(CNc2cc(C)nc(C(C)C)n2)cc1[N+](=O)[O-] ZINC000339953599 427883444 /nfs/dbraw/zinc/88/34/44/427883444.db2.gz SXPRDFYHAPBHGI-UHFFFAOYSA-N 1 0 316.361 3.437 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302882657 427886630 /nfs/dbraw/zinc/88/66/30/427886630.db2.gz KCJMUPUKDUMEFK-ZDUSSCGKSA-N 1 0 318.421 2.953 20 5 DFBDRO C[C@@H]1C[C@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000337445887 427908223 /nfs/dbraw/zinc/90/82/23/427908223.db2.gz QBQIMJKRROVPAL-IAQYHMDHSA-N 1 0 320.780 2.970 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]CC[C@H](C)O)o2)c([N+](=O)[O-])c1 ZINC000304112526 427916780 /nfs/dbraw/zinc/91/67/80/427916780.db2.gz GTFYOPYTMVWEEQ-NSHDSACASA-N 1 0 320.345 2.724 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000337471705 427922693 /nfs/dbraw/zinc/92/26/93/427922693.db2.gz PVWINZCGHBNIKD-GMXVVIOVSA-N 1 0 321.377 2.709 20 5 DFBDRO CC[C@H](CO)[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000345827371 427922843 /nfs/dbraw/zinc/92/28/43/427922843.db2.gz HLAFZJRWRNXHRM-LLVKDONJSA-N 1 0 317.183 2.560 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@H]1[NH+](C)C ZINC000413191752 427985955 /nfs/dbraw/zinc/98/59/55/427985955.db2.gz ZDHBLRXCYNMJAV-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO CC(C)[C@@H]1CN(c2nccc3ccc([N+](=O)[O-])cc32)CC[N@@H+]1C ZINC000413260255 428004767 /nfs/dbraw/zinc/00/47/67/428004767.db2.gz JIANMUMBPORXCU-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO C[S@@](=O)C1(CNc2nccc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000413278058 428009954 /nfs/dbraw/zinc/00/99/54/428009954.db2.gz YIGSDDYEDXHHRQ-JOCHJYFZSA-N 1 0 319.386 2.856 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H](CO)C[NH+]1CCCCC1 ZINC000346099783 428020139 /nfs/dbraw/zinc/02/01/39/428020139.db2.gz IHSWPMWPLIRWJU-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO CC[C@H](C(=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000413521005 428071423 /nfs/dbraw/zinc/07/14/23/428071423.db2.gz QMIVASUGEDOUTH-HIFRSBDPSA-N 1 0 323.418 2.509 20 5 DFBDRO C[C@H]1CN(c2ccncc2[N+](=O)[O-])CC[N@@H+]1Cc1ccccc1 ZINC000413533364 428072986 /nfs/dbraw/zinc/07/29/86/428072986.db2.gz PXHONIZXUWGRDG-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO Cc1c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)cccc1[N+](=O)[O-] ZINC000377212267 428086209 /nfs/dbraw/zinc/08/62/09/428086209.db2.gz AATOSRRGFVRCOW-CXAGYDPISA-N 1 0 320.389 2.673 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2ccccn2)n1 ZINC000351517564 428095839 /nfs/dbraw/zinc/09/58/39/428095839.db2.gz OBKCNJNPXINSIS-GJZGRUSLSA-N 1 0 315.377 2.502 20 5 DFBDRO CCCCC[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000341576214 428112224 /nfs/dbraw/zinc/11/22/24/428112224.db2.gz OZBILVQTDXYQMY-CQSZACIVSA-N 1 0 307.394 2.801 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000370047253 428121230 /nfs/dbraw/zinc/12/12/30/428121230.db2.gz WQXKZCPKJDPPMD-LBPRGKRZSA-N 1 0 320.780 2.971 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412787 428124471 /nfs/dbraw/zinc/12/44/71/428124471.db2.gz OUWGMLAOWQZGQO-GXTWGEPZSA-N 1 0 300.362 2.916 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352369210 428134614 /nfs/dbraw/zinc/13/46/14/428134614.db2.gz XNLUNBFRINCJOG-GFCCVEGCSA-N 1 0 302.378 3.285 20 5 DFBDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535423 428138279 /nfs/dbraw/zinc/13/82/79/428138279.db2.gz QJHQSBMDEYPSRG-HUUCEWRRSA-N 1 0 319.405 2.520 20 5 DFBDRO COc1cc(C[NH+]2CCC(OCC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000352540442 428140746 /nfs/dbraw/zinc/14/07/46/428140746.db2.gz LDQKRJQAFJFKFB-UHFFFAOYSA-N 1 0 320.389 2.994 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000346461518 428182431 /nfs/dbraw/zinc/18/24/31/428182431.db2.gz SILCGZLOCWFUNG-STQMWFEESA-N 1 0 320.393 2.850 20 5 DFBDRO CC(C)([NH2+]Cc1c[nH]c2nccnc12)c1ccc([N+](=O)[O-])cc1 ZINC000356423654 428171953 /nfs/dbraw/zinc/17/19/53/428171953.db2.gz LFOKZRPDCDQBSQ-UHFFFAOYSA-N 1 0 311.345 2.843 20 5 DFBDRO CC(C)[C@@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000377628179 428176194 /nfs/dbraw/zinc/17/61/94/428176194.db2.gz NQIUUMWKAZVEKQ-INIZCTEOSA-N 1 0 319.361 2.576 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000360143966 428180601 /nfs/dbraw/zinc/18/06/01/428180601.db2.gz SGEFVIQBEXXANC-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@H]1C[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515505 428211799 /nfs/dbraw/zinc/21/17/99/428211799.db2.gz DTXXXNSDCOZOEU-CJNGLKHVSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CS1 ZINC000414222850 428237281 /nfs/dbraw/zinc/23/72/81/428237281.db2.gz FXOLFGDXMFLCTG-VOAKCMCISA-N 1 0 310.423 2.759 20 5 DFBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCn2ccnc2C1 ZINC000377677609 428193622 /nfs/dbraw/zinc/19/36/22/428193622.db2.gz KZRLLMRRCARDSN-GFCCVEGCSA-N 1 0 318.352 2.625 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000370402461 428201340 /nfs/dbraw/zinc/20/13/40/428201340.db2.gz AOHCQCVXVNJHQU-SUMWQHHRSA-N 1 0 317.389 2.600 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000414092164 428203233 /nfs/dbraw/zinc/20/32/33/428203233.db2.gz FCEUHUHZQDDSED-NWDGAFQWSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346666730 428263904 /nfs/dbraw/zinc/26/39/04/428263904.db2.gz YWJHAUYHNVLOLT-GMZLATJGSA-N 1 0 317.389 2.550 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000370738590 428289589 /nfs/dbraw/zinc/28/95/89/428289589.db2.gz XYQCDROQCNRREK-QLPKVWCKSA-N 1 0 310.357 2.532 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000352777346 428242610 /nfs/dbraw/zinc/24/26/10/428242610.db2.gz HDNBXKYQCJIKHW-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352775998 428242642 /nfs/dbraw/zinc/24/26/42/428242642.db2.gz AMHSRLXSPVWCRR-CABCVRRESA-N 1 0 319.405 2.662 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H](O)C(F)F)c2ccccc2)c1 ZINC000352782401 428245834 /nfs/dbraw/zinc/24/58/34/428245834.db2.gz HPMNFRJWRMTUHG-LSDHHAIUSA-N 1 0 322.311 2.900 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000414310200 428258474 /nfs/dbraw/zinc/25/84/74/428258474.db2.gz ZKLRUEMWUIRXJN-WQAKAFBOSA-N 1 0 300.305 2.794 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]1CCCC2 ZINC000342149687 428322327 /nfs/dbraw/zinc/32/23/27/428322327.db2.gz GGOGUQFRQWKBSI-YOEHRIQHSA-N 1 0 318.373 2.760 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cs1 ZINC000414525120 428329214 /nfs/dbraw/zinc/32/92/14/428329214.db2.gz JFAWWSCMYFTVGI-GFCCVEGCSA-N 1 0 310.350 2.661 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000360536318 428339271 /nfs/dbraw/zinc/33/92/71/428339271.db2.gz JKEJNLALODNUFI-ZDUSSCGKSA-N 1 0 300.362 2.708 20 5 DFBDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCC(=O)N1 ZINC000414555970 428341186 /nfs/dbraw/zinc/34/11/86/428341186.db2.gz IWQGCCBSSIXMFI-ZQMJAJRESA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353010651 428349637 /nfs/dbraw/zinc/34/96/37/428349637.db2.gz WCEXKVRQRIORME-NSHDSACASA-N 1 0 316.304 2.535 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773253 428402067 /nfs/dbraw/zinc/40/20/67/428402067.db2.gz SIJQCOTZVUCVAH-XHDPSFHLSA-N 1 0 301.346 2.776 20 5 DFBDRO CCN(CC(=O)N1CCCCCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000353165576 428412081 /nfs/dbraw/zinc/41/20/81/428412081.db2.gz AWMOHXKNPOENMU-UHFFFAOYSA-N 1 0 319.405 2.819 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](COC(F)F)C2)cc1 ZINC000353025497 428358635 /nfs/dbraw/zinc/35/86/35/428358635.db2.gz RTRAEHMEIHNCLK-NSHDSACASA-N 1 0 316.304 2.535 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccc1 ZINC000342232946 428360385 /nfs/dbraw/zinc/36/03/85/428360385.db2.gz ONVNNLVVKQGRTL-KRWDZBQOSA-N 1 0 318.348 2.774 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000414651311 428365277 /nfs/dbraw/zinc/36/52/77/428365277.db2.gz BXHHYBVKZOAENL-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000414653353 428365783 /nfs/dbraw/zinc/36/57/83/428365783.db2.gz FDRBBDXNYSIPQU-NEPJUHHUSA-N 1 0 306.366 2.542 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048604 428368691 /nfs/dbraw/zinc/36/86/91/428368691.db2.gz VJNITKNFMVXHTB-FZMZJTMJSA-N 1 0 311.813 2.721 20 5 DFBDRO CCCN(C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000414661771 428368764 /nfs/dbraw/zinc/36/87/64/428368764.db2.gz QDBMXQXRPCOOJZ-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO CN(CCc1cnccn1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000357063689 428373385 /nfs/dbraw/zinc/37/33/85/428373385.db2.gz GNDLFSHQNRRFHZ-UHFFFAOYSA-N 1 0 306.753 2.713 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000357207190 428433740 /nfs/dbraw/zinc/43/37/40/428433740.db2.gz CDBVTXJGXBPYJA-UHFFFAOYSA-N 1 0 313.361 2.713 20 5 DFBDRO CNC(=O)C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000360774346 428434181 /nfs/dbraw/zinc/43/41/81/428434181.db2.gz YKCXCHXVEFFLIR-INIZCTEOSA-N 1 0 313.357 2.562 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCNC1 ZINC000414866140 428439655 /nfs/dbraw/zinc/43/96/55/428439655.db2.gz MFKVBBROYQHTQN-BPUTZDHNSA-N 1 0 303.406 2.648 20 5 DFBDRO [NH3+][C@@H](CNCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414889254 428445934 /nfs/dbraw/zinc/44/59/34/428445934.db2.gz LGDWTSUWLOFRJE-AWEZNQCLSA-N 1 0 318.402 2.545 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@H]1CCCNC1 ZINC000414890202 428446079 /nfs/dbraw/zinc/44/60/79/428446079.db2.gz MFKVBBROYQHTQN-VNQPRFMTSA-N 1 0 303.406 2.648 20 5 DFBDRO Cc1ccc(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000372416791 428447565 /nfs/dbraw/zinc/44/75/65/428447565.db2.gz RFDMOADSRJHBNX-CVEARBPZSA-N 1 0 303.406 2.962 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000353253740 428452243 /nfs/dbraw/zinc/45/22/43/428452243.db2.gz MJPHHHVAIIIVKO-AWEZNQCLSA-N 1 0 306.366 2.591 20 5 DFBDRO C[C@H](C[NH3+])NCc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414921264 428458829 /nfs/dbraw/zinc/45/88/29/428458829.db2.gz AODVRKCMYPMTLM-LLVKDONJSA-N 1 0 319.336 2.963 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)cc1 ZINC000378523799 428421635 /nfs/dbraw/zinc/42/16/35/428421635.db2.gz XKCGGKHYXGZBNB-KRWDZBQOSA-N 1 0 316.332 2.827 20 5 DFBDRO C[NH2+]C[C@H](C)CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414839735 428429186 /nfs/dbraw/zinc/42/91/86/428429186.db2.gz MOFITJIEHKHLKG-LBPRGKRZSA-N 1 0 303.362 2.800 20 5 DFBDRO C[C@H]([NH2+]CCNC(=O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000360896378 428484292 /nfs/dbraw/zinc/48/42/92/428484292.db2.gz GEASYIJERMCYOC-ZDUSSCGKSA-N 1 0 319.405 2.942 20 5 DFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000342913821 428486922 /nfs/dbraw/zinc/48/69/22/428486922.db2.gz KZCBFIBWEUSXOM-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000357362413 428500374 /nfs/dbraw/zinc/50/03/74/428500374.db2.gz MSVHXIULLDKFML-UHFFFAOYSA-N 1 0 319.405 2.505 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1 ZINC000415129391 428531395 /nfs/dbraw/zinc/53/13/95/428531395.db2.gz URPYKKYQZQXRFK-JKSUJKDBSA-N 1 0 315.348 2.661 20 5 DFBDRO C[N@H+](C[C@H]1CC12CCN(c1ncccc1[N+](=O)[O-])CC2)C1CC1 ZINC000372835110 428504456 /nfs/dbraw/zinc/50/44/56/428504456.db2.gz DLHPOPSUOMBZHS-CYBMUJFWSA-N 1 0 316.405 2.691 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000343076805 428517781 /nfs/dbraw/zinc/51/77/81/428517781.db2.gz MWNHNTOWHYGXHU-CHWSQXEVSA-N 1 0 305.378 2.588 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000357418582 428525415 /nfs/dbraw/zinc/52/54/15/428525415.db2.gz QCNOMWRPKHXHDO-ZYHUDNBSSA-N 1 0 317.345 2.554 20 5 DFBDRO Cc1cc(N2C[C@H](C)C[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000398802563 428526321 /nfs/dbraw/zinc/52/63/21/428526321.db2.gz OHZBRIVLGGOORH-DGCLKSJQSA-N 1 0 315.373 2.906 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2C[C@H]3CCCCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000372590558 428472053 /nfs/dbraw/zinc/47/20/53/428472053.db2.gz RHSOAYLURCYWIH-HIFRSBDPSA-N 1 0 317.389 2.848 20 5 DFBDRO COC[C@H]1C[C@H](OC)C[N@@H+]1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000343885472 428592105 /nfs/dbraw/zinc/59/21/05/428592105.db2.gz VQLNQHFMRKNPCX-CABCVRRESA-N 1 0 322.405 2.954 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](Cc3cccc(F)c3)CC2)n1 ZINC000373282845 428538343 /nfs/dbraw/zinc/53/83/43/428538343.db2.gz DQJNTGOMCNRKJV-UHFFFAOYSA-N 1 0 304.325 2.768 20 5 DFBDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000347319683 428543761 /nfs/dbraw/zinc/54/37/61/428543761.db2.gz RAYNLEYDTWRUNL-DZGCQCFKSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1ccc(F)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000353496510 428564686 /nfs/dbraw/zinc/56/46/86/428564686.db2.gz MBYDDQKVAXRXRD-UHFFFAOYSA-N 1 0 319.336 2.708 20 5 DFBDRO Cc1cc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])ccc1[N+](=O)[O-] ZINC000415411670 428578454 /nfs/dbraw/zinc/57/84/54/428578454.db2.gz BLYAGENDQLDPCA-FZMZJTMJSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415584489 428598907 /nfs/dbraw/zinc/59/89/07/428598907.db2.gz SRMQMKSAGKBLLZ-HNNXBMFYSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]3C[NH2+]CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000373562843 428606392 /nfs/dbraw/zinc/60/63/92/428606392.db2.gz SEVSCHWWMOLMRW-GDBMZVCRSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000408171340 428613472 /nfs/dbraw/zinc/61/34/72/428613472.db2.gz IBVRCJWLTNQTJT-OAHLLOKOSA-N 1 0 318.421 2.775 20 5 DFBDRO COCC[C@@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279109932 274039407 /nfs/dbraw/zinc/03/94/07/274039407.db2.gz PCXVZARMVMTZMZ-DOTOQJQBSA-N 1 0 322.405 2.694 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[NH2+]Cc2ccccc21 ZINC000261822613 274118672 /nfs/dbraw/zinc/11/86/72/274118672.db2.gz WRZUMPYEFCZSAI-UHFFFAOYSA-N 1 0 313.357 2.713 20 5 DFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C2CC2)O1 ZINC000348221049 428664056 /nfs/dbraw/zinc/66/40/56/428664056.db2.gz DHOLSLWIYYLKJW-SUMWQHHRSA-N 1 0 320.389 2.863 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000178638903 274287955 /nfs/dbraw/zinc/28/79/55/274287955.db2.gz JEKKJMFXTIDGEP-DAXOMENPSA-N 1 0 317.389 2.868 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000174010383 274310626 /nfs/dbraw/zinc/31/06/26/274310626.db2.gz BMIBANWEPMOYJI-CHWSQXEVSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C(C)(C)C1 ZINC000331732829 274346325 /nfs/dbraw/zinc/34/63/25/274346325.db2.gz SDAMUFKAZGHZPN-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000375817632 274372933 /nfs/dbraw/zinc/37/29/33/274372933.db2.gz UUUWJUWMWMGCNF-DGCLKSJQSA-N 1 0 320.349 2.566 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)NC(C)(C)C ZINC000344864096 428716186 /nfs/dbraw/zinc/71/61/86/428716186.db2.gz RINAKDPGIVNUQU-JLHYYAGUSA-N 1 0 319.405 2.893 20 5 DFBDRO COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C2 ZINC000374643137 428720931 /nfs/dbraw/zinc/72/09/31/428720931.db2.gz DZSRLMLPNWCMEL-BLLLJJGKSA-N 1 0 322.336 2.509 20 5 DFBDRO CC[C@]1(C)CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000362389616 428728425 /nfs/dbraw/zinc/72/84/25/428728425.db2.gz BMYDTTPYSDNHDF-NVXWUHKLSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348523017 428769358 /nfs/dbraw/zinc/76/93/58/428769358.db2.gz BBOCNGANPNVPOL-PWSUYJOCSA-N 1 0 304.268 2.984 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)c1 ZINC000348522308 428769477 /nfs/dbraw/zinc/76/94/77/428769477.db2.gz WQOIFUAPNFDKAR-OLZOCXBDSA-N 1 0 316.304 2.724 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000411316955 428776372 /nfs/dbraw/zinc/77/63/72/428776372.db2.gz NCMSHODBIYFERA-RYUDHWBXSA-N 1 0 321.377 2.805 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348541725 428778544 /nfs/dbraw/zinc/77/85/44/428778544.db2.gz XZLSWNCLLQOHBN-PWSUYJOCSA-N 1 0 316.304 2.724 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000359033265 428782480 /nfs/dbraw/zinc/78/24/80/428782480.db2.gz HQAAJPFFXZVGOG-HIFRSBDPSA-N 1 0 319.405 2.812 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnn2ccccc12 ZINC000348671533 428811311 /nfs/dbraw/zinc/81/13/11/428811311.db2.gz KSCKRAOZVVBYQF-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CC2(C1)CCCCC2 ZINC000375182853 428820085 /nfs/dbraw/zinc/82/00/85/428820085.db2.gz LWXPTOJRGWOJDR-AWEZNQCLSA-N 1 0 320.389 2.601 20 5 DFBDRO C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000354014838 428823168 /nfs/dbraw/zinc/82/31/68/428823168.db2.gz OIRRSCDYTARZDO-DZGCQCFKSA-N 1 0 322.405 2.703 20 5 DFBDRO C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000354014841 428823559 /nfs/dbraw/zinc/82/35/59/428823559.db2.gz OIRRSCDYTARZDO-ZFWWWQNUSA-N 1 0 322.405 2.703 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)cc3[N+](=O)[O-])[C@H]2C1 ZINC000375227027 428825272 /nfs/dbraw/zinc/82/52/72/428825272.db2.gz DNQXLTJZRGGHIJ-ABAIWWIYSA-N 1 0 309.797 2.774 20 5 DFBDRO CC(C)[C@@H]1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC[N@@H+]1C ZINC000362997872 428837944 /nfs/dbraw/zinc/83/79/44/428837944.db2.gz SXRJDHNXUKHTKU-AWEZNQCLSA-N 1 0 324.356 2.538 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000363323461 428907701 /nfs/dbraw/zinc/90/77/01/428907701.db2.gz YSIAKWDTRJDLAI-GDBMZVCRSA-N 1 0 306.362 2.747 20 5 DFBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000354200405 428910657 /nfs/dbraw/zinc/91/06/57/428910657.db2.gz UMZQIXRRGIULHC-UONOGXRCSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)c1 ZINC000375417976 428878891 /nfs/dbraw/zinc/87/88/91/428878891.db2.gz WPPARIUKALYFAZ-CYBMUJFWSA-N 1 0 314.345 2.845 20 5 DFBDRO Cn1nccc1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000363213254 428884708 /nfs/dbraw/zinc/88/47/08/428884708.db2.gz OKGXRELKCSGTBZ-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)cc1[N+](=O)[O-] ZINC000411945681 428889847 /nfs/dbraw/zinc/88/98/47/428889847.db2.gz KQFLHVNHZGVBCC-BDJLRTHQSA-N 1 0 308.378 2.897 20 5 DFBDRO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000412028915 428912276 /nfs/dbraw/zinc/91/22/76/428912276.db2.gz BPTDQZZTXDVDOR-OAHLLOKOSA-N 1 0 317.389 2.572 20 5 DFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412035538 428916419 /nfs/dbraw/zinc/91/64/19/428916419.db2.gz FYCXMXMFAUCDRP-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000412033795 428916469 /nfs/dbraw/zinc/91/64/69/428916469.db2.gz SJQAOJVBRIPXAW-ZWNOBZJWSA-N 1 0 301.350 2.572 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000349115869 428923099 /nfs/dbraw/zinc/92/30/99/428923099.db2.gz FKVAZTGRXYGTNN-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302020884 274712600 /nfs/dbraw/zinc/71/26/00/274712600.db2.gz NSYIVXDOHFYPHU-BZNIZROVSA-N 1 0 314.389 2.838 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420253909 428953570 /nfs/dbraw/zinc/95/35/70/428953570.db2.gz FFCHPPGVGZGYJV-BETUJISGSA-N 1 0 314.389 3.320 20 5 DFBDRO C[NH+](C)C1CCC(Nc2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000420633463 428961507 /nfs/dbraw/zinc/96/15/07/428961507.db2.gz YNCWMQUFLNZQOM-UHFFFAOYSA-N 1 0 314.389 3.428 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349336355 428964840 /nfs/dbraw/zinc/96/48/40/428964840.db2.gz WXXYJWBBZIIMKK-KTLBGCOUSA-N 1 0 304.268 2.511 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000451774458 428970482 /nfs/dbraw/zinc/97/04/82/428970482.db2.gz OJFQJSVBEZHGQA-BNOWGMLFSA-N 1 0 306.362 2.977 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451915601 429019858 /nfs/dbraw/zinc/01/98/58/429019858.db2.gz VSJCHVQRRZTVJF-IRUJWGPZSA-N 1 0 318.295 2.901 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000451958417 429024801 /nfs/dbraw/zinc/02/48/01/429024801.db2.gz WEQBNSLELICFBR-ZNMIVQPWSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421759112 429027429 /nfs/dbraw/zinc/02/74/29/429027429.db2.gz BTCFUXKDFGPSAX-ZDUSSCGKSA-N 1 0 307.394 2.672 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000421758851 429027662 /nfs/dbraw/zinc/02/76/62/429027662.db2.gz BHMVBECKWKKXTM-UHFFFAOYSA-N 1 0 319.405 2.768 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383671 428979057 /nfs/dbraw/zinc/97/90/57/428979057.db2.gz AXSKLBWAYJZWSE-ZFWWWQNUSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000354403616 428980774 /nfs/dbraw/zinc/98/07/74/428980774.db2.gz PJQMJNBQACBJBN-WFASDCNBSA-N 1 0 305.378 2.540 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[S@](=O)C[C@H](C)C1 ZINC000433020425 428980939 /nfs/dbraw/zinc/98/09/39/428980939.db2.gz CIORYXGZUKFCJD-FBUCPCEVSA-N 1 0 322.430 2.699 20 5 DFBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCn1ccnc1 ZINC000349409642 428986244 /nfs/dbraw/zinc/98/62/44/428986244.db2.gz SEUSSRDZZSIKPN-DAXSKMNVSA-N 1 0 300.362 2.827 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000375859132 428999732 /nfs/dbraw/zinc/99/97/32/428999732.db2.gz ILVPHFMPQCFRJL-ZBFHGGJFSA-N 1 0 317.389 2.684 20 5 DFBDRO O=C(CC[C@@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423719678 429005338 /nfs/dbraw/zinc/00/53/38/429005338.db2.gz FZMHRWNOLUEKBR-AWEZNQCLSA-N 1 0 317.389 2.618 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H](CO)c1ccsc1 ZINC000349571636 429007606 /nfs/dbraw/zinc/00/76/06/429007606.db2.gz WKSBBQSGLZGAKZ-PKXJPQMGSA-N 1 0 304.371 2.993 20 5 DFBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCSC1 ZINC000433203944 429009340 /nfs/dbraw/zinc/00/93/40/429009340.db2.gz DOUAJSMVZLPRHX-CQSZACIVSA-N 1 0 310.419 2.939 20 5 DFBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCSC1 ZINC000433195069 429010411 /nfs/dbraw/zinc/01/04/11/429010411.db2.gz QOKVCPKJUVCDRG-HNNXBMFYSA-N 1 0 310.419 2.939 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)CCC2 ZINC000423470829 429092699 /nfs/dbraw/zinc/09/26/99/429092699.db2.gz DLPOHPIVLGPFLM-UONOGXRCSA-N 1 0 311.332 2.559 20 5 DFBDRO COC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000452079053 429049045 /nfs/dbraw/zinc/04/90/45/429049045.db2.gz HHTBPMLWKXHFSU-CQSZACIVSA-N 1 0 308.378 2.722 20 5 DFBDRO COC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000452079052 429049175 /nfs/dbraw/zinc/04/91/75/429049175.db2.gz HHTBPMLWKXHFSU-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO CC(C)(C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423958106 429064577 /nfs/dbraw/zinc/06/45/77/429064577.db2.gz MHXCOGWAWNOILM-HNNXBMFYSA-N 1 0 319.405 2.506 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000452126167 429066505 /nfs/dbraw/zinc/06/65/05/429066505.db2.gz YGMNPMAFBQEIQL-LLVKDONJSA-N 1 0 313.348 2.788 20 5 DFBDRO CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000452341458 429097516 /nfs/dbraw/zinc/09/75/16/429097516.db2.gz HBNCVEOVRMOUGU-HNNXBMFYSA-N 1 0 319.405 2.835 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000413131169 429144183 /nfs/dbraw/zinc/14/41/83/429144183.db2.gz AAQJFDSPQLZCTL-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)s1 ZINC000376649930 429154048 /nfs/dbraw/zinc/15/40/48/429154048.db2.gz ABFRHLLNGZJQGO-UHFFFAOYSA-N 1 0 306.391 2.998 20 5 DFBDRO [NH3+]C[C@@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000262044355 274947242 /nfs/dbraw/zinc/94/72/42/274947242.db2.gz CGNLKBQDDFFJSQ-CQSZACIVSA-N 1 0 306.366 2.624 20 5 DFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000261795458 274948140 /nfs/dbraw/zinc/94/81/40/274948140.db2.gz YEIDMKZDWFIZDN-WPRPVWTQSA-N 1 0 307.379 2.529 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccc([N+](=O)[O-])cc1 ZINC000424327246 429126295 /nfs/dbraw/zinc/12/62/95/429126295.db2.gz ZVCHOZLCSIRSKY-XZJROXQQSA-N 1 0 316.361 2.509 20 5 DFBDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC000424327282 429127072 /nfs/dbraw/zinc/12/70/72/429127072.db2.gz YVLIAODJGIVSDH-PLAPLOCASA-N 1 0 304.390 2.931 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424330623 429128500 /nfs/dbraw/zinc/12/85/00/429128500.db2.gz RYFRGIUBZASSCC-CJNGLKHVSA-N 1 0 319.405 2.894 20 5 DFBDRO [NH3+]C1(c2noc(Cc3cccc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000424346137 429129704 /nfs/dbraw/zinc/12/97/04/429129704.db2.gz OIRQIHYOEJBSMR-UHFFFAOYSA-N 1 0 302.334 2.687 20 5 DFBDRO Cc1nc(N2CCC[C@@H]([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000363892038 429137108 /nfs/dbraw/zinc/13/71/08/429137108.db2.gz VOVIGAQMCAXICR-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCOCC2)cc(C(F)(F)F)c1 ZINC000487146145 429137566 /nfs/dbraw/zinc/13/75/66/429137566.db2.gz ASWMYEWLYHOKII-UHFFFAOYSA-N 1 0 304.268 2.882 20 5 DFBDRO [NH3+]C[C@@H]1CCCN1Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000435374773 429137564 /nfs/dbraw/zinc/13/75/64/429137564.db2.gz YFIRWSCVGQSBGS-AWEZNQCLSA-N 1 0 318.402 2.641 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000301751707 275033575 /nfs/dbraw/zinc/03/35/75/275033575.db2.gz VDASOEWGWFYYJP-WCFLWFBJSA-N 1 0 322.796 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(F)c1 ZINC000301378667 275037027 /nfs/dbraw/zinc/03/70/27/275037027.db2.gz XKVQZUDXRGIBKB-NJZAAPMLSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000378514337 275039190 /nfs/dbraw/zinc/03/91/90/275039190.db2.gz AZEJJCHMHHJDPJ-QGZVFWFLSA-N 1 0 316.332 2.827 20 5 DFBDRO O=c1cc(C[NH+]2CCC(O)CC2)c2c(ccc3ccccc32)o1 ZINC000008204318 275043397 /nfs/dbraw/zinc/04/33/97/275043397.db2.gz RTMBXUHTOJYQDR-UHFFFAOYSA-N 1 0 309.365 2.903 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000495259259 429193085 /nfs/dbraw/zinc/19/30/85/429193085.db2.gz KVJPULZZJRWEGL-BLLLJJGKSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+](C)C ZINC000489022704 429214491 /nfs/dbraw/zinc/21/44/91/429214491.db2.gz HKTPKBOHCLBWNY-CYBMUJFWSA-N 1 0 314.389 3.266 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000364627487 429236185 /nfs/dbraw/zinc/23/61/85/429236185.db2.gz CTNHJWDPKWZFJR-ZIAGYGMSSA-N 1 0 318.352 2.893 20 5 DFBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000364673783 429247411 /nfs/dbraw/zinc/24/74/11/429247411.db2.gz QBBSCLUBEPOSJP-HNNXBMFYSA-N 1 0 314.389 2.794 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443524154 429254343 /nfs/dbraw/zinc/25/43/43/429254343.db2.gz SKINPUOKAGHJIU-IJLUTSLNSA-N 1 0 310.423 2.893 20 5 DFBDRO CC[N@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C)C1CC1 ZINC000456186057 429254747 /nfs/dbraw/zinc/25/47/47/429254747.db2.gz KVAGAHSTCJILKK-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000495752751 429259102 /nfs/dbraw/zinc/25/91/02/429259102.db2.gz JRYDDKOXWZBHKO-GFCCVEGCSA-N 1 0 321.377 2.724 20 5 DFBDRO Cc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)no1 ZINC000364938445 429269325 /nfs/dbraw/zinc/26/93/25/429269325.db2.gz GZHYXQJRJANTEB-AWEZNQCLSA-N 1 0 316.361 2.974 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC([NH+]3CCCC3)CC2)cc1F ZINC000364959941 429270412 /nfs/dbraw/zinc/27/04/12/429270412.db2.gz RRZMIEYWGKOYSA-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000425354822 429273201 /nfs/dbraw/zinc/27/32/01/429273201.db2.gz STNWCPDFIWWCDO-BYPUDFOVSA-N 1 0 313.361 2.537 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCCC[C@H]1C ZINC000449079290 429324763 /nfs/dbraw/zinc/32/47/63/429324763.db2.gz OHMWVDAMISZCBM-HUUCEWRRSA-N 1 0 305.422 2.990 20 5 DFBDRO COC(=O)[C@]1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000504561103 429336800 /nfs/dbraw/zinc/33/68/00/429336800.db2.gz NTVUWLHPOJWVLS-SJTUHTAASA-N 1 0 318.373 2.739 20 5 DFBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142992 429341857 /nfs/dbraw/zinc/34/18/57/429341857.db2.gz PHHVTUYUTPVNQN-HOCLYGCPSA-N 1 0 305.422 2.990 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH+](C2CCCC2)CC1 ZINC000505635875 429342821 /nfs/dbraw/zinc/34/28/21/429342821.db2.gz PRZXXIXBOJNWNG-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000449157704 429346090 /nfs/dbraw/zinc/34/60/90/429346090.db2.gz WGOJAZNHFDOECV-OAHLLOKOSA-N 1 0 319.405 2.504 20 5 DFBDRO Cc1ncccc1O[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365263140 429291081 /nfs/dbraw/zinc/29/10/81/429291081.db2.gz UOHRTAZMDREHHI-OAHLLOKOSA-N 1 0 313.357 2.952 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000365293815 429294483 /nfs/dbraw/zinc/29/44/83/429294483.db2.gz UYSWBFVNSXLBLL-LLVKDONJSA-N 1 0 311.407 2.521 20 5 DFBDRO COCC(C)(C)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000425515230 429313717 /nfs/dbraw/zinc/31/37/17/429313717.db2.gz QWZWXVWHVAKKGY-CQSZACIVSA-N 1 0 321.421 2.698 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426454381 429392800 /nfs/dbraw/zinc/39/28/00/429392800.db2.gz OXNORQKDMNIUID-WFASDCNBSA-N 1 0 303.362 2.716 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449340124 429392876 /nfs/dbraw/zinc/39/28/76/429392876.db2.gz MSAMNYHPNDSBOB-KGLIPLIRSA-N 1 0 321.421 2.668 20 5 DFBDRO Cc1cc(C2=CC[N@H+](C[C@H]3CCCO3)CC2)cc([N+](=O)[O-])c1N ZINC000365883179 429396186 /nfs/dbraw/zinc/39/61/86/429396186.db2.gz DEJDRRPUJDZMJU-OAHLLOKOSA-N 1 0 317.389 2.754 20 5 DFBDRO C[C@H](CCCO)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449409495 429405112 /nfs/dbraw/zinc/40/51/12/429405112.db2.gz UIWFVKVGVYNXPH-SNVBAGLBSA-N 1 0 318.320 2.694 20 5 DFBDRO CCCNC(=O)CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000517956723 429406642 /nfs/dbraw/zinc/40/66/42/429406642.db2.gz ICJHVDDFVSBXIX-UHFFFAOYSA-N 1 0 307.394 2.726 20 5 DFBDRO Cc1sc(C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000457123625 429407251 /nfs/dbraw/zinc/40/72/51/429407251.db2.gz PJTATZDQZBVXKR-LLVKDONJSA-N 1 0 311.407 2.519 20 5 DFBDRO CC[C@@H]([NH2+]Cc1c(C)nnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000449177165 429350053 /nfs/dbraw/zinc/35/00/53/429350053.db2.gz UZCKPZVSNMKGQZ-CQSZACIVSA-N 1 0 303.366 2.756 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000513825421 429361529 /nfs/dbraw/zinc/36/15/29/429361529.db2.gz CAWYPLGPCBZZMD-CWRNSKLLSA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CCO)c1ccco1 ZINC000449252875 429368100 /nfs/dbraw/zinc/36/81/00/429368100.db2.gz UCAIYJAWWCZJKF-TZMCWYRMSA-N 1 0 304.346 2.832 20 5 DFBDRO Cn1c2ccccc2cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1=O ZINC000491531833 429370760 /nfs/dbraw/zinc/37/07/60/429370760.db2.gz NYANUWAWEMLGSC-UHFFFAOYSA-N 1 0 323.352 2.737 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000449308176 429384061 /nfs/dbraw/zinc/38/40/61/429384061.db2.gz VEDVXZUAGLPOCD-AWEZNQCLSA-N 1 0 321.421 2.970 20 5 DFBDRO CC(C)(NC(=O)C[C@H]1CCCC[C@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000449307693 429384415 /nfs/dbraw/zinc/38/44/15/429384415.db2.gz QVLJKKHJKXFICP-IUODEOHRSA-N 1 0 319.405 2.854 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000449309368 429384632 /nfs/dbraw/zinc/38/46/32/429384632.db2.gz DHWPLYVYYGPUOX-IUODEOHRSA-N 1 0 314.389 2.927 20 5 DFBDRO C[C@H]1C[C@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613240 429471394 /nfs/dbraw/zinc/47/13/94/429471394.db2.gz NLZBYLORHNYZFG-AAEUAGOBSA-N 1 0 312.373 3.180 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000449498423 429434502 /nfs/dbraw/zinc/43/45/02/429434502.db2.gz LHXRHKWGZMGJIJ-IUODEOHRSA-N 1 0 308.378 2.850 20 5 DFBDRO Cn1nccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449506159 429437921 /nfs/dbraw/zinc/43/79/21/429437921.db2.gz YLHVBRRFOWSPHM-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]2C[NH2+]CCC[C@H]21 ZINC000366857956 429526842 /nfs/dbraw/zinc/52/68/42/429526842.db2.gz NBOMAPKPZGEJQX-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1cc(C[NH2+]CCC[C@@H]2CCOC2)c([N+](=O)[O-])cc1OC ZINC000449679718 429477565 /nfs/dbraw/zinc/47/75/65/429477565.db2.gz FCDDDHACIWBHOT-GFCCVEGCSA-N 1 0 324.377 2.518 20 5 DFBDRO C[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000519806668 429490843 /nfs/dbraw/zinc/49/08/43/429490843.db2.gz XPEKFSINBBNGGA-UONOGXRCSA-N 1 0 319.405 2.546 20 5 DFBDRO CC(=O)c1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000520064260 429501630 /nfs/dbraw/zinc/50/16/30/429501630.db2.gz WQDXNEAMTUFHKP-CYBMUJFWSA-N 1 0 305.378 2.940 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000520224567 429505644 /nfs/dbraw/zinc/50/56/44/429505644.db2.gz MPFBUEICACOEJN-HUUCEWRRSA-N 1 0 320.389 2.865 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000367066044 429569103 /nfs/dbraw/zinc/56/91/03/429569103.db2.gz IABUDKBLJCXHEY-YQQAZPJKSA-N 1 0 317.389 2.693 20 5 DFBDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558344 429615961 /nfs/dbraw/zinc/61/59/61/429615961.db2.gz FCJMJAJFVHZQMV-GXTWGEPZSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429575042 429618594 /nfs/dbraw/zinc/61/85/94/429618594.db2.gz CDWGGGZDBAIVGM-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492847215 429629623 /nfs/dbraw/zinc/62/96/23/429629623.db2.gz LYRLDGWRKKAUOU-SUMWQHHRSA-N 1 0 322.405 2.976 20 5 DFBDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000429777860 429632358 /nfs/dbraw/zinc/63/23/58/429632358.db2.gz XEGPTCZJRHCCHW-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccc([N+](=O)[O-])cc1 ZINC000367381489 429637761 /nfs/dbraw/zinc/63/77/61/429637761.db2.gz KCTYSPBOPQVVBZ-UHFFFAOYSA-N 1 0 315.304 2.632 20 5 DFBDRO CCOc1cccc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000450546294 429644712 /nfs/dbraw/zinc/64/47/12/429644712.db2.gz GMDXXBIJQLSZCO-CYBMUJFWSA-N 1 0 319.405 2.914 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000525157612 429647174 /nfs/dbraw/zinc/64/71/74/429647174.db2.gz IKGQIISXZAUKMQ-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@]23CCOC3)ccc1[N+](=O)[O-] ZINC000367458975 429653262 /nfs/dbraw/zinc/65/32/62/429653262.db2.gz PUHSPSYUNYQAIU-MRXNPFEDSA-N 1 0 306.362 2.748 20 5 DFBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000429243990 429591034 /nfs/dbraw/zinc/59/10/34/429591034.db2.gz CYTKBLHIXVHMLD-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO Cc1c(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000522862380 429596592 /nfs/dbraw/zinc/59/65/92/429596592.db2.gz UEQPLWUXVJUYOK-ZDUSSCGKSA-N 1 0 320.393 2.755 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000450329311 429601548 /nfs/dbraw/zinc/60/15/48/429601548.db2.gz FLPSLECHGUUYDG-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000450600290 429658335 /nfs/dbraw/zinc/65/83/35/429658335.db2.gz VJLTTWXOVIVLCU-GFCCVEGCSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000430207861 429662989 /nfs/dbraw/zinc/66/29/89/429662989.db2.gz SDCWWOJSZYHOFV-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000430214497 429663463 /nfs/dbraw/zinc/66/34/63/429663463.db2.gz ZOGFQEPDKWWYIV-ZFWWWQNUSA-N 1 0 306.362 2.604 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000430207862 429664126 /nfs/dbraw/zinc/66/41/26/429664126.db2.gz SDCWWOJSZYHOFV-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000430214582 429664175 /nfs/dbraw/zinc/66/41/75/429664175.db2.gz DYDGHKAUWPEHHE-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CCC1)[C@H](C)CO ZINC000430244993 429666545 /nfs/dbraw/zinc/66/65/45/429666545.db2.gz ZIHOAEHVZUNTHO-GFCCVEGCSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2nc(C)ccc2[N+](=O)[O-])CC1 ZINC000360677247 276095605 /nfs/dbraw/zinc/09/56/05/276095605.db2.gz XIQFEBFGUSFWMH-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO CC1(C)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@H]1C(F)(F)F ZINC000190205040 276132619 /nfs/dbraw/zinc/13/26/19/276132619.db2.gz DVFNZJXVXYSBEJ-SNVBAGLBSA-N 1 0 320.315 2.702 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c([N+](=O)[O-])c1 ZINC000368448612 276205651 /nfs/dbraw/zinc/20/56/51/276205651.db2.gz CJPQIKWQXQDEFN-LRDDRELGSA-N 1 0 317.389 2.718 20 5 DFBDRO CN(C(=O)C[NH+]1CCC2(CCC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000367600049 429682470 /nfs/dbraw/zinc/68/24/70/429682470.db2.gz XWVIHJDFBCSCQI-UHFFFAOYSA-N 1 0 317.389 2.824 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000430561753 429690592 /nfs/dbraw/zinc/69/05/92/429690592.db2.gz AIUMYJKPSXEVPT-HNNXBMFYSA-N 1 0 307.394 2.566 20 5 DFBDRO C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])[C@H]2CCC[C@H]21 ZINC000367609798 429684621 /nfs/dbraw/zinc/68/46/21/429684621.db2.gz XTPOTUXYQBUNLA-HLLBOEOZSA-N 1 0 303.406 2.600 20 5 DFBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000286054022 276329614 /nfs/dbraw/zinc/32/96/14/276329614.db2.gz IVXIVXLWHVDVHF-CYBMUJFWSA-N 1 0 311.338 2.654 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000354986802 276341662 /nfs/dbraw/zinc/34/16/62/276341662.db2.gz YIUBPLZDRBLXGK-YSVLISHTSA-N 1 0 322.405 2.700 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)c1cc([N+](=O)[O-])ccc1C(C)=O ZINC000360994595 276377582 /nfs/dbraw/zinc/37/75/82/276377582.db2.gz JQZQNNOBIGCIFV-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO CCOc1cccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)c1[N+](=O)[O-] ZINC000292181915 276381495 /nfs/dbraw/zinc/38/14/95/276381495.db2.gz FKPWKTZSFSMNBJ-MRXNPFEDSA-N 1 0 305.378 2.526 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H](C[NH3+])C1 ZINC000430639320 429704515 /nfs/dbraw/zinc/70/45/15/429704515.db2.gz PATSYVIVYUVCNP-ZDUSSCGKSA-N 1 0 307.394 2.553 20 5 DFBDRO CCn1ccnc1[C@@H](C)Nc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000450827454 429708788 /nfs/dbraw/zinc/70/87/88/429708788.db2.gz HUUVBEJVUCRHKM-SNVBAGLBSA-N 1 0 318.333 2.771 20 5 DFBDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000430758371 429714984 /nfs/dbraw/zinc/71/49/84/429714984.db2.gz AFFJLVGCRVWJRA-KRWDZBQOSA-N 1 0 319.405 2.676 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)CC1 ZINC000450867738 429717146 /nfs/dbraw/zinc/71/71/46/429717146.db2.gz ZUTPMZDKGNHYLQ-LBPRGKRZSA-N 1 0 305.378 2.718 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000181529178 276435132 /nfs/dbraw/zinc/43/51/32/276435132.db2.gz GDJFAZRHRWAGGL-GFCCVEGCSA-N 1 0 320.374 2.731 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000493295373 429731176 /nfs/dbraw/zinc/73/11/76/429731176.db2.gz XVDYWKQKGSPIMQ-CMDGGOBGSA-N 1 0 317.389 2.599 20 5 DFBDRO CCOc1cc(N2CC[C@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000486932450 429755537 /nfs/dbraw/zinc/75/55/37/429755537.db2.gz DFEPHEXDDXQFIZ-CYBMUJFWSA-N 1 0 307.394 2.772 20 5 DFBDRO CCCCN(CC)C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451100507 429768336 /nfs/dbraw/zinc/76/83/36/429768336.db2.gz UWCDDRYLPUQNAP-ZDUSSCGKSA-N 1 0 307.394 2.894 20 5 DFBDRO CC[C@@]1(C(=O)N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000134546401 276536000 /nfs/dbraw/zinc/53/60/00/276536000.db2.gz KWZGJACAYWIBIF-LRDDRELGSA-N 1 0 305.378 2.613 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000368316283 429830497 /nfs/dbraw/zinc/83/04/97/429830497.db2.gz OZJQNTVICWQSQX-INIZCTEOSA-N 1 0 321.446 2.526 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451473814 429832067 /nfs/dbraw/zinc/83/20/67/429832067.db2.gz PLSNLCJZAIYDTE-HOTGVXAUSA-N 1 0 320.389 2.911 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000451481735 429834633 /nfs/dbraw/zinc/83/46/33/429834633.db2.gz UPTALQBYDWOZFU-OAGGEKHMSA-N 1 0 320.389 2.767 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846045 429839741 /nfs/dbraw/zinc/83/97/41/429839741.db2.gz CEMCLHWFEATLDJ-HWYHOQROSA-N 1 0 317.389 2.549 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CC3)CC2)c2c(c1)COCO2 ZINC000368425147 429846886 /nfs/dbraw/zinc/84/68/86/429846886.db2.gz PHKJCQNRAGVTHC-UHFFFAOYSA-N 1 0 304.346 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCn3ccnc3)C2)cc1 ZINC000451551197 429852133 /nfs/dbraw/zinc/85/21/33/429852133.db2.gz TUGMPKLUEMBRLC-OAHLLOKOSA-N 1 0 300.362 2.671 20 5 DFBDRO CCc1nnc(CN2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451569888 429856697 /nfs/dbraw/zinc/85/66/97/429856697.db2.gz OXPJXVPBIKNMGR-ZDUSSCGKSA-N 1 0 316.361 2.920 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451619130 429862120 /nfs/dbraw/zinc/86/21/20/429862120.db2.gz XDUDBSFZHQIHOO-NVXWUHKLSA-N 1 0 324.421 2.982 20 5 DFBDRO C/C(=C/c1ccccc1)C[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000494273286 429864395 /nfs/dbraw/zinc/86/43/95/429864395.db2.gz GVURJQCIHSCMKX-UVTDQMKNSA-N 1 0 300.362 2.827 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[N@@H+]4CCCC[C@H]4C3)ccnc21 ZINC000432310942 429813128 /nfs/dbraw/zinc/81/31/28/429813128.db2.gz KAJHBGNVWNSDTB-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO CCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000368664803 429884103 /nfs/dbraw/zinc/88/41/03/429884103.db2.gz YPWRETXWRXBIRW-OAHLLOKOSA-N 1 0 300.362 2.978 20 5 DFBDRO CC(=O)c1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000557520627 429943821 /nfs/dbraw/zinc/94/38/21/429943821.db2.gz BLGOBBJIXQPYEL-LBPRGKRZSA-N 1 0 303.362 2.694 20 5 DFBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000580888385 430159494 /nfs/dbraw/zinc/15/94/94/430159494.db2.gz MBXMTMRRYVCSRQ-CQSZACIVSA-N 1 0 324.421 2.996 20 5 DFBDRO CC(=O)N(C)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182716728 276945239 /nfs/dbraw/zinc/94/52/39/276945239.db2.gz CNFZSYSDCJIMHA-CYBMUJFWSA-N 1 0 319.405 2.907 20 5 DFBDRO CC[NH+]1CCC(CNc2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000579554746 430125765 /nfs/dbraw/zinc/12/57/65/430125765.db2.gz PULQQLUVXZCHIF-UHFFFAOYSA-N 1 0 314.389 3.287 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(c3c(F)cc([N+](=O)[O-])cc3F)C2)C1 ZINC000292881152 277087125 /nfs/dbraw/zinc/08/71/25/277087125.db2.gz UTHXZVXRHMTNON-HNNXBMFYSA-N 1 0 311.332 2.795 20 5 DFBDRO CC(=O)c1ccc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286441839 277112034 /nfs/dbraw/zinc/11/20/34/277112034.db2.gz SQYYWJUAYYJZSQ-SWLSCSKDSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000581246857 430192529 /nfs/dbraw/zinc/19/25/29/430192529.db2.gz RJEDEHZHOZJCRB-ILXRZTDVSA-N 1 0 322.405 2.893 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000581285118 430193112 /nfs/dbraw/zinc/19/31/12/430193112.db2.gz REYRALXAQXSSEJ-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000265072595 277373646 /nfs/dbraw/zinc/37/36/46/277373646.db2.gz UMVSRJQRYLWASC-UHFFFAOYSA-N 1 0 319.405 2.787 20 5 DFBDRO COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)c1ccccc1[N+](=O)[O-])CC2 ZINC000266564286 277387633 /nfs/dbraw/zinc/38/76/33/277387633.db2.gz ZCLFKSUXEZPFFW-GXTWGEPZSA-N 1 0 318.373 2.931 20 5 DFBDRO CC1CCC(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1 ZINC000542519768 430212452 /nfs/dbraw/zinc/21/24/52/430212452.db2.gz LHTBXQCFUMYIAR-UHFFFAOYSA-N 1 0 318.421 2.938 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000193887327 277398603 /nfs/dbraw/zinc/39/86/03/277398603.db2.gz MYLGAFJZBNAMFL-RWMBFGLXSA-N 1 0 306.362 2.896 20 5 DFBDRO C[C@@H]1C[C@H](Nc2nc3c(cc2[N+](=O)[O-])CCCC3)C[N@@H+]1C1CC1 ZINC000581485441 430214687 /nfs/dbraw/zinc/21/46/87/430214687.db2.gz VEHIYDMKQTWPPC-YPMHNXCESA-N 1 0 316.405 2.906 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[NH2+]C2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000544410898 430280885 /nfs/dbraw/zinc/28/08/85/430280885.db2.gz FKGUPWGDRPEFSN-LLVKDONJSA-N 1 0 303.362 2.762 20 5 DFBDRO C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342792 430348099 /nfs/dbraw/zinc/34/80/99/430348099.db2.gz FLAPYKDHOTYDPT-VNHYZAJKSA-N 1 0 319.405 2.639 20 5 DFBDRO CC(C)n1cncc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000568382416 430353104 /nfs/dbraw/zinc/35/31/04/430353104.db2.gz NOONGFRWCGMMKQ-UHFFFAOYSA-N 1 0 304.350 2.541 20 5 DFBDRO COCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCOCC1 ZINC000568411461 430356795 /nfs/dbraw/zinc/35/67/95/430356795.db2.gz RLQGTXRIPJBPKH-OAHLLOKOSA-N 1 0 320.389 2.615 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]1(C)CO ZINC000546810525 430371519 /nfs/dbraw/zinc/37/15/19/430371519.db2.gz FWTCEVPFEFKSQP-INIZCTEOSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)Oc1nc(N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000583574838 430408653 /nfs/dbraw/zinc/40/86/53/430408653.db2.gz KVBAMYNFPWFUPL-AWEZNQCLSA-N 1 0 322.409 2.553 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000569258534 430436283 /nfs/dbraw/zinc/43/62/83/430436283.db2.gz GMJAOMXTKFSBEY-WMLDXEAASA-N 1 0 312.369 2.775 20 5 DFBDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[nH]n1 ZINC000584124107 430462372 /nfs/dbraw/zinc/46/23/72/430462372.db2.gz UBEQVMSQGLDSEA-ZUZCIYMTSA-N 1 0 300.362 2.834 20 5 DFBDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000547798412 430424090 /nfs/dbraw/zinc/42/40/90/430424090.db2.gz BOVQOYKHYHPGKF-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCC(CC)(C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])OC ZINC000583808017 430431686 /nfs/dbraw/zinc/43/16/86/430431686.db2.gz PAUVJNXBACJVTL-UHFFFAOYSA-N 1 0 323.393 2.718 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nccnc1C ZINC000569751295 430483782 /nfs/dbraw/zinc/48/37/82/430483782.db2.gz HNLYQNUORWIPAK-LBPRGKRZSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000616058740 430583458 /nfs/dbraw/zinc/58/34/58/430583458.db2.gz NERYQHBKJRZLJX-LBPRGKRZSA-N 1 0 314.389 3.285 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCSC1 ZINC000571915597 430660385 /nfs/dbraw/zinc/66/03/85/430660385.db2.gz XIIZGXGEPRGGNY-WCQYABFASA-N 1 0 323.418 2.797 20 5 DFBDRO CCn1cncc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000571387705 430624113 /nfs/dbraw/zinc/62/41/13/430624113.db2.gz XJXVOZCFECCHHP-UHFFFAOYSA-N 1 0 313.361 2.625 20 5 DFBDRO CC(C)[N@H+]1C[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000555313322 430665617 /nfs/dbraw/zinc/66/56/17/430665617.db2.gz AIAMOPAKYKVRMT-XEZPLFJOSA-N 1 0 319.405 2.543 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1 ZINC000094001782 278174940 /nfs/dbraw/zinc/17/49/40/278174940.db2.gz PGARLAJFZZPETC-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000133735881 278207420 /nfs/dbraw/zinc/20/74/20/278207420.db2.gz XIHAMQMIYDLCMQ-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000332009526 278312902 /nfs/dbraw/zinc/31/29/02/278312902.db2.gz WNJLZJIYQBNVBL-DNNBLBMLSA-N 1 0 320.389 2.518 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000132432754 278314115 /nfs/dbraw/zinc/31/41/15/278314115.db2.gz JHLBLXYSZHTGEN-RKDXNWHRSA-N 1 0 314.183 2.531 20 5 DFBDRO CC[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281218537 288038064 /nfs/dbraw/zinc/03/80/64/288038064.db2.gz ZIWGSDMUVOTFJF-LHSJRXKWSA-N 1 0 310.419 2.937 20 5 DFBDRO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C[NH3+])C1 ZINC000261710138 278540276 /nfs/dbraw/zinc/54/02/76/278540276.db2.gz GDWUUVICWXVANI-MFKMUULPSA-N 1 0 317.345 2.540 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(F)(F)F ZINC000358244042 288061376 /nfs/dbraw/zinc/06/13/76/288061376.db2.gz YGHIYVPSHFJRII-UWJYBYFXSA-N 1 0 306.284 2.947 20 5 DFBDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262789506 278841460 /nfs/dbraw/zinc/84/14/60/278841460.db2.gz MWZBHDRKYMJJMF-BXKDBHETSA-N 1 0 319.386 2.537 20 5 DFBDRO C[C@@H]1Cc2cc(F)ccc2[C@H](C)[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000354833551 279012480 /nfs/dbraw/zinc/01/24/80/279012480.db2.gz ODVNUZGNVMPANW-NEPJUHHUSA-N 1 0 318.352 2.938 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000133491448 279311143 /nfs/dbraw/zinc/31/11/43/279311143.db2.gz WPLVWIAIYQLEMG-NWDGAFQWSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000132432525 279408867 /nfs/dbraw/zinc/40/88/67/279408867.db2.gz JHLBLXYSZHTGEN-DTWKUNHWSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[NH2+]1 ZINC000262790352 280006172 /nfs/dbraw/zinc/00/61/72/280006172.db2.gz DBCNMDFQSSJNGM-GXSJLCMTSA-N 1 0 319.386 2.680 20 5 DFBDRO C[S@](=O)C1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000280941220 280179304 /nfs/dbraw/zinc/17/93/04/280179304.db2.gz GHGTVMAONVPXIO-QRQCRPRQSA-N 1 0 322.430 2.863 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCCC2(CC[NH+](C)CC2)C1 ZINC000367195722 280664253 /nfs/dbraw/zinc/66/42/53/280664253.db2.gz OATUQOWVYHMYJF-UHFFFAOYSA-N 1 0 304.394 2.610 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000173219706 281008377 /nfs/dbraw/zinc/00/83/77/281008377.db2.gz OTHZAFSPNKAEEN-KBPBESRZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368498790 281023467 /nfs/dbraw/zinc/02/34/67/281023467.db2.gz KMXNXMAJOUSAGJ-XNJJOIOASA-N 1 0 317.389 2.611 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000194481922 281257879 /nfs/dbraw/zinc/25/78/79/281257879.db2.gz MZVPPXHVWCWVFP-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1CN1CC=C(c2ccc(F)cc2)CC1 ZINC000363356715 289082806 /nfs/dbraw/zinc/08/28/06/289082806.db2.gz UEJNDDODENTGMC-UHFFFAOYSA-N 1 0 316.336 2.757 20 5 DFBDRO C[NH2+][C@H]1CCN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000415691693 289120511 /nfs/dbraw/zinc/12/05/11/289120511.db2.gz FZUOAUVQMWRQJU-LBPRGKRZSA-N 1 0 320.393 2.718 20 5 DFBDRO C[C@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000415687823 289120598 /nfs/dbraw/zinc/12/05/98/289120598.db2.gz BLCLEBZKSTUZIY-GXFFZTMASA-N 1 0 320.393 2.703 20 5 DFBDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415706905 289122073 /nfs/dbraw/zinc/12/20/73/289122073.db2.gz VHIMZMLWKRGZDX-ZJUUUORDSA-N 1 0 308.382 2.750 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415762344 289131963 /nfs/dbraw/zinc/13/19/63/289131963.db2.gz MVPFRXBDKLKTRM-CQSZACIVSA-N 1 0 318.377 2.515 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000415763604 289132544 /nfs/dbraw/zinc/13/25/44/289132544.db2.gz OLDOOYRZJXMRIC-OAHLLOKOSA-N 1 0 308.382 2.652 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC(CC)(CC)C[NH3+] ZINC000415765451 289133252 /nfs/dbraw/zinc/13/32/52/289133252.db2.gz QYJCMUVTDRTLDH-UHFFFAOYSA-N 1 0 308.382 2.796 20 5 DFBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000120808743 290336825 /nfs/dbraw/zinc/33/68/25/290336825.db2.gz LPPPUYCPWONHKI-JSGCOSHPSA-N 1 0 307.394 2.561 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000436059236 296985290 /nfs/dbraw/zinc/98/52/90/296985290.db2.gz KMGOWFFUYVMRGN-OLZOCXBDSA-N 1 0 307.394 2.564 20 5 DFBDRO CS[C@H]1CN(c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000436426446 297002749 /nfs/dbraw/zinc/00/27/49/297002749.db2.gz DKZYMKWFCVFBGU-HOTGVXAUSA-N 1 0 321.446 2.919 20 5 DFBDRO COc1ccc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C(C)C)cc1 ZINC000091399906 295216377 /nfs/dbraw/zinc/21/63/77/295216377.db2.gz UZUDSIUGJBNTNP-INIZCTEOSA-N 1 0 318.377 2.787 20 5 DFBDRO C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000155014834 295310918 /nfs/dbraw/zinc/31/09/18/295310918.db2.gz LFAGAWXOVXNPDK-YKWSONSWSA-N 1 0 319.405 2.701 20 5 DFBDRO CCc1ccc(C(=O)N(C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000370785705 295464248 /nfs/dbraw/zinc/46/42/48/295464248.db2.gz FWWBHIBMNRFIDQ-UHFFFAOYSA-N 1 0 317.389 2.514 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000438485184 297094906 /nfs/dbraw/zinc/09/49/06/297094906.db2.gz UITZPJYREDBRSQ-GFCCVEGCSA-N 1 0 321.377 2.520 20 5 DFBDRO C[NH+](C)CCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000438560840 297098317 /nfs/dbraw/zinc/09/83/17/297098317.db2.gz HXLSNVNHBOGNTE-UHFFFAOYSA-N 1 0 313.357 2.951 20 5 DFBDRO COc1cc(C[NH+]2CCC([C@@H]3CCCO3)CC2)ccc1[N+](=O)[O-] ZINC000439282940 297122043 /nfs/dbraw/zinc/12/20/43/297122043.db2.gz YQDCWTZILBQWBL-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1[N+](=O)[O-] ZINC000439422098 297125817 /nfs/dbraw/zinc/12/58/17/297125817.db2.gz PGYYJXRUUDQMPL-INIZCTEOSA-N 1 0 319.405 2.788 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000441292165 297178756 /nfs/dbraw/zinc/17/87/56/297178756.db2.gz XZQFEFAXBHFLCJ-KGLIPLIRSA-N 1 0 320.389 2.852 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441292168 297179074 /nfs/dbraw/zinc/17/90/74/297179074.db2.gz XZQFEFAXBHFLCJ-UONOGXRCSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC[NH+]1CCCC1 ZINC000443951522 297229115 /nfs/dbraw/zinc/22/91/15/297229115.db2.gz YEMJRBGVPRSJCO-UHFFFAOYSA-N 1 0 320.393 2.819 20 5 DFBDRO CCCC[N@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444603764 297241103 /nfs/dbraw/zinc/24/11/03/297241103.db2.gz WZNPNDOBOYMJFR-UHFFFAOYSA-N 1 0 306.366 2.720 20 5 DFBDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000444753723 297248889 /nfs/dbraw/zinc/24/88/89/297248889.db2.gz QICNCSXOAFEIHL-CQSZACIVSA-N 1 0 319.405 2.926 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000444767972 297249390 /nfs/dbraw/zinc/24/93/90/297249390.db2.gz SGUAAMFKIJZSSU-MRXNPFEDSA-N 1 0 308.378 2.601 20 5 DFBDRO CC(C)COCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511493 297305860 /nfs/dbraw/zinc/30/58/60/297305860.db2.gz MAJSGJXCENKFBA-LSDHHAIUSA-N 1 0 324.425 2.927 20 5 DFBDRO CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447515255 297305960 /nfs/dbraw/zinc/30/59/60/297305960.db2.gz BNAGWCLXGJLINB-KBPBESRZSA-N 1 0 310.398 2.680 20 5 DFBDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536035 297307129 /nfs/dbraw/zinc/30/71/29/297307129.db2.gz KJMQIJPMGJIAQS-MJBXVCDLSA-N 1 0 324.425 2.662 20 5 DFBDRO Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447543504 297307727 /nfs/dbraw/zinc/30/77/27/297307727.db2.gz RMQMZSVVJUGJBM-CHWSQXEVSA-N 1 0 321.406 2.830 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCc2cscn2)n1 ZINC000447584127 297309626 /nfs/dbraw/zinc/30/96/26/297309626.db2.gz DYYNKMQEFXPTTG-QWHCGFSZSA-N 1 0 321.406 2.564 20 5 DFBDRO CC1(C)CC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)O1 ZINC000447599157 297310282 /nfs/dbraw/zinc/31/02/82/297310282.db2.gz WZAUIILOUKBSPD-HZSPNIEDSA-N 1 0 322.409 2.822 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCCCO2)n1 ZINC000447598817 297310342 /nfs/dbraw/zinc/31/03/42/297310342.db2.gz WDMWWQHYYQUWDK-SOUVJXGZSA-N 1 0 322.409 2.824 20 5 DFBDRO CCOC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447602927 297310368 /nfs/dbraw/zinc/31/03/68/297310368.db2.gz WFTDGYBQMXFJNB-OLZOCXBDSA-N 1 0 310.398 2.680 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CCC2 ZINC000447603502 297310735 /nfs/dbraw/zinc/31/07/35/297310735.db2.gz XXKDHLKJODZKGB-CZUORRHYSA-N 1 0 312.373 2.773 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447677586 297312869 /nfs/dbraw/zinc/31/28/69/297312869.db2.gz VDZOEUIBJJGOAX-VXGBXAGGSA-N 1 0 317.393 2.568 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447898445 297324752 /nfs/dbraw/zinc/32/47/52/297324752.db2.gz VRGMAQXEDRMTMA-CQSZACIVSA-N 1 0 320.393 2.837 20 5 DFBDRO [NH3+][C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])c1ccccc1 ZINC000448231225 297335734 /nfs/dbraw/zinc/33/57/34/297335734.db2.gz QXYOFTMDIWTZFL-CQSZACIVSA-N 1 0 311.341 2.574 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccccc1 ZINC000449138206 297411241 /nfs/dbraw/zinc/41/12/41/297411241.db2.gz BDPPXQDBQMFJAA-BBRMVZONSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000449140631 297412056 /nfs/dbraw/zinc/41/20/56/297412056.db2.gz JMOHVLYZLWOBCE-LRDDRELGSA-N 1 0 318.348 2.988 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000449193222 297420813 /nfs/dbraw/zinc/42/08/13/297420813.db2.gz VXMPJPPLCWSEAU-NXOUGTEYSA-N 1 0 312.369 2.774 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cn2c(n1)CCCC2 ZINC000449219015 297424387 /nfs/dbraw/zinc/42/43/87/297424387.db2.gz LVXPRWSRNNJFKD-ZDUSSCGKSA-N 1 0 314.389 2.848 20 5 DFBDRO COc1cc(C[NH2+]CCCC(C)(F)F)c([N+](=O)[O-])cc1O ZINC000449351014 297451772 /nfs/dbraw/zinc/45/17/72/297451772.db2.gz NIDOZLCRFOHDSP-UHFFFAOYSA-N 1 0 304.293 2.834 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC(C)(F)F ZINC000449354508 297452311 /nfs/dbraw/zinc/45/23/11/297452311.db2.gz OIPPQFUHYJJJGC-JTQLQIEISA-N 1 0 315.320 2.947 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451473813 297811370 /nfs/dbraw/zinc/81/13/70/297811370.db2.gz PLSNLCJZAIYDTE-CVEARBPZSA-N 1 0 320.389 2.911 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451500583 297818183 /nfs/dbraw/zinc/81/81/83/297818183.db2.gz YHVJBEQCQPNERO-HOCLYGCPSA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000451617698 297845694 /nfs/dbraw/zinc/84/56/94/297845694.db2.gz YGVUMNPRNORJAS-IRXDYDNUSA-N 1 0 304.390 2.524 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1COC[C@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000453355648 298086757 /nfs/dbraw/zinc/08/67/57/298086757.db2.gz MMOMRJLBSQVROE-ARFHVFGLSA-N 1 0 308.378 2.830 20 5 DFBDRO CCC(C)(C)OCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000453623662 298105909 /nfs/dbraw/zinc/10/59/09/298105909.db2.gz ZNCDNSUBBNYUDM-UHFFFAOYSA-N 1 0 312.366 2.604 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1C ZINC000453634000 298107152 /nfs/dbraw/zinc/10/71/52/298107152.db2.gz RBGIYIVAGKQRMN-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000457038114 298628700 /nfs/dbraw/zinc/62/87/00/298628700.db2.gz RSXVBCAMDMTRQE-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000500069310 300205187 /nfs/dbraw/zinc/20/51/87/300205187.db2.gz GYQBRPKRCXXOSK-CYBMUJFWSA-N 1 0 305.378 2.901 20 5 DFBDRO C[C@H]1C[C@@]1([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(Cl)cc1 ZINC000503374606 300220295 /nfs/dbraw/zinc/22/02/95/300220295.db2.gz KEGBHSPCNBISGQ-NHYWBVRUSA-N 1 0 320.780 2.970 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@]3(C2)CCC[NH2+]C3)c2ncccc12 ZINC000515145775 300292280 /nfs/dbraw/zinc/29/22/80/300292280.db2.gz BVPCXWQKATTWHO-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]21 ZINC000515343034 300301185 /nfs/dbraw/zinc/30/11/85/300301185.db2.gz UWHKVUWOTSKKQY-MELADBBJSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000530359536 301042244 /nfs/dbraw/zinc/04/22/44/301042244.db2.gz PGZHGUOAXXMNCF-GJZGRUSLSA-N 1 0 315.377 2.768 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000532239528 301139009 /nfs/dbraw/zinc/13/90/09/301139009.db2.gz CATMHUWLUAFXFN-SWLSCSKDSA-N 1 0 323.393 2.573 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000532572195 301160407 /nfs/dbraw/zinc/16/04/07/301160407.db2.gz NQBUTMBQXMBFFC-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO COC(=O)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000533068310 301184006 /nfs/dbraw/zinc/18/40/06/301184006.db2.gz VQQOTOYVDYUIDZ-UHFFFAOYSA-N 1 0 320.389 2.993 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000408171910 301203586 /nfs/dbraw/zinc/20/35/86/301203586.db2.gz PIQZJNUGQXFYMD-KGLIPLIRSA-N 1 0 304.394 2.527 20 5 DFBDRO C[C@@H]1CC[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536537794 301277263 /nfs/dbraw/zinc/27/72/63/301277263.db2.gz JMQSFTKOZBVLEN-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000536873033 301292089 /nfs/dbraw/zinc/29/20/89/301292089.db2.gz VOSQVFKTFBLZRH-CHWSQXEVSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)(C)C ZINC000537292427 301297726 /nfs/dbraw/zinc/29/77/26/301297726.db2.gz XLPCMYQUCMWQJI-CQSZACIVSA-N 1 0 323.393 2.956 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000539074379 301338083 /nfs/dbraw/zinc/33/80/83/301338083.db2.gz MRTQGXDNTOYNTH-RYUDHWBXSA-N 1 0 307.394 2.857 20 5 DFBDRO Cc1ncc2c(n1)CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000539445700 301342490 /nfs/dbraw/zinc/34/24/90/301342490.db2.gz CTNHIKYWOYXVCU-DQOPKJQZSA-N 1 0 324.384 2.854 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000540184546 301359330 /nfs/dbraw/zinc/35/93/30/301359330.db2.gz QYXXBTHVGOERQB-IATRGZMQSA-N 1 0 317.389 2.563 20 5 DFBDRO CN(CCC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000540514970 301364579 /nfs/dbraw/zinc/36/45/79/301364579.db2.gz PGNSMLXRCLZNIL-UHFFFAOYSA-N 1 0 321.421 2.916 20 5 DFBDRO Cc1ccccc1[C@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000541054879 301381706 /nfs/dbraw/zinc/38/17/06/301381706.db2.gz WFMJZZYDRSJROK-HNNXBMFYSA-N 1 0 316.357 2.605 20 5 DFBDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000541533756 301388807 /nfs/dbraw/zinc/38/88/07/301388807.db2.gz BTXFUQUWDYRNQV-CABCVRRESA-N 1 0 318.421 2.938 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000542041701 301407054 /nfs/dbraw/zinc/40/70/54/301407054.db2.gz GBEJWPPRHCTVIU-NSHDSACASA-N 1 0 323.393 2.770 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000547305980 301524122 /nfs/dbraw/zinc/52/41/22/301524122.db2.gz PJRSSIOKBFKKGA-SUMWQHHRSA-N 1 0 322.405 2.731 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]1F ZINC000556258106 301790895 /nfs/dbraw/zinc/79/08/95/301790895.db2.gz YPFODBLLBXKMHQ-LEWSCRJBSA-N 1 0 309.341 2.792 20 5 DFBDRO Cc1cncc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)c1 ZINC000560002487 301880569 /nfs/dbraw/zinc/88/05/69/301880569.db2.gz LKOUQUXQBJILHP-GJZGRUSLSA-N 1 0 315.377 2.768 20 5 DFBDRO Cc1cccc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182231514 301955560 /nfs/dbraw/zinc/95/55/60/301955560.db2.gz GQTFRVZGTMHWOB-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO COC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000562342043 301963340 /nfs/dbraw/zinc/96/33/40/301963340.db2.gz WRMYKJBGFOUFAY-SECBINFHSA-N 1 0 306.284 2.986 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000288357882 302038766 /nfs/dbraw/zinc/03/87/66/302038766.db2.gz KNOFFZIPDBAZOD-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000288357887 302038813 /nfs/dbraw/zinc/03/88/13/302038813.db2.gz KNOFFZIPDBAZOD-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO CCCNC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000563352014 302065103 /nfs/dbraw/zinc/06/51/03/302065103.db2.gz FRZBOULROQYAPF-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO C[C@@H](C(=O)N1CCCC[C@H]1C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000564714824 302152761 /nfs/dbraw/zinc/15/27/61/302152761.db2.gz NXXFUARZSWWOOW-CJNGLKHVSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000564723369 302153599 /nfs/dbraw/zinc/15/35/99/302153599.db2.gz NTKDKXLIXKQDKM-ZDUSSCGKSA-N 1 0 319.405 2.546 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](C(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)C1 ZINC000565039086 302187422 /nfs/dbraw/zinc/18/74/22/302187422.db2.gz WZFPCGZACAFNKV-KGLIPLIRSA-N 1 0 317.389 2.603 20 5 DFBDRO Cc1c(C[NH2+]C[C@@H](O)Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000566123185 302261832 /nfs/dbraw/zinc/26/18/32/302261832.db2.gz ATPSQVOIRFZLBD-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO Cc1ccnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1[N+](=O)[O-] ZINC000292231222 302272581 /nfs/dbraw/zinc/27/25/81/302272581.db2.gz IVXXSVUNRJXMSO-GFCCVEGCSA-N 1 0 304.394 2.609 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000566286405 302274605 /nfs/dbraw/zinc/27/46/05/302274605.db2.gz MXELDKKDJJHBSA-TUAOUCFPSA-N 1 0 320.393 2.836 20 5 DFBDRO CC1(C)CC[C@H]1[NH2+]Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1 ZINC000566429690 302285976 /nfs/dbraw/zinc/28/59/76/302285976.db2.gz YTBCHQFONDRTGE-GFCCVEGCSA-N 1 0 302.334 2.923 20 5 DFBDRO CC(C)[C@@H](CO)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000566788691 302312012 /nfs/dbraw/zinc/31/20/12/302312012.db2.gz MYVDZKHSOBXSHW-HZPDHXFCSA-N 1 0 306.406 2.770 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000567614121 302373707 /nfs/dbraw/zinc/37/37/07/302373707.db2.gz UPDJPDSTJQBUHY-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H](O)CCc2ccccc2)c1 ZINC000569803386 302538467 /nfs/dbraw/zinc/53/84/67/302538467.db2.gz QRIGGJVGVUPMQS-GOSISDBHSA-N 1 0 314.385 2.721 20 5 DFBDRO COCC1(CC[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000569845980 302541360 /nfs/dbraw/zinc/54/13/60/302541360.db2.gz XFBLMMQHEQDEQY-UHFFFAOYSA-N 1 0 324.377 2.518 20 5 DFBDRO CC[C@@H](C)C[N@H+](CC)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181947671 316079363 /nfs/dbraw/zinc/07/93/63/316079363.db2.gz TYIDGQHLVAOKDO-KGLIPLIRSA-N 1 0 310.394 2.703 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](CCO)C2CCCCC2)cc1 ZINC000183714873 316150551 /nfs/dbraw/zinc/15/05/51/316150551.db2.gz PPDJNKKSQUQETJ-KRWDZBQOSA-N 1 0 322.405 2.895 20 5 DFBDRO C[C@@H]1CCCC[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000187906583 316215345 /nfs/dbraw/zinc/21/53/45/316215345.db2.gz QUNLIUGXNTWOFG-CYBMUJFWSA-N 1 0 317.389 2.606 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000321559206 316256345 /nfs/dbraw/zinc/25/63/45/316256345.db2.gz FZPLXDZBTSXRDY-HOTGVXAUSA-N 1 0 319.405 2.710 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000328351353 316263428 /nfs/dbraw/zinc/26/34/28/316263428.db2.gz WRDMHQHDNCBXRU-UHFFFAOYSA-N 1 0 300.314 2.671 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2COc3ccccc3C2)cc1 ZINC000328497090 316263648 /nfs/dbraw/zinc/26/36/48/316263648.db2.gz VHNHIKGLHYHJQT-AWEZNQCLSA-N 1 0 314.341 2.567 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000414515862 316615637 /nfs/dbraw/zinc/61/56/37/316615637.db2.gz NTMWDTAJDPASCX-UPJWGTAASA-N 1 0 308.378 2.897 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414534601 316620379 /nfs/dbraw/zinc/62/03/79/316620379.db2.gz VEBAUGIKOLMHPW-AWEZNQCLSA-N 1 0 304.321 2.600 20 5 DFBDRO COC1([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000421398598 316733579 /nfs/dbraw/zinc/73/35/79/316733579.db2.gz GQUZKOWRPOLLFP-BRLPQQTGSA-N 1 0 320.389 2.782 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2cncn2)CC1 ZINC000426769195 316825535 /nfs/dbraw/zinc/82/55/35/316825535.db2.gz GTUPRYMWAVKKHR-CYBMUJFWSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000443524156 316962730 /nfs/dbraw/zinc/96/27/30/316962730.db2.gz SKINPUOKAGHJIU-UTUOFQBUSA-N 1 0 310.423 2.893 20 5 DFBDRO O=C(NCC[C@H]1CCC[NH2+]1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000444258396 316974286 /nfs/dbraw/zinc/97/42/86/316974286.db2.gz IWFXHKVKUCLHHE-LLVKDONJSA-N 1 0 319.386 2.681 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449557497 317043535 /nfs/dbraw/zinc/04/35/35/317043535.db2.gz UTXHLSDJEVXVLV-RBSFLKMASA-N 1 0 320.389 2.586 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000449558867 317044011 /nfs/dbraw/zinc/04/40/11/317044011.db2.gz XDDIFUDHRMMAIK-PMPSAXMXSA-N 1 0 304.390 2.886 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000450220204 317071205 /nfs/dbraw/zinc/07/12/05/317071205.db2.gz XWNMISQBPIZONA-ZDUSSCGKSA-N 1 0 321.377 2.586 20 5 DFBDRO CCc1ncc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000453393344 317182081 /nfs/dbraw/zinc/18/20/81/317182081.db2.gz RNVDPWAKLVFLPN-OLZOCXBDSA-N 1 0 319.365 2.615 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000453403300 317183226 /nfs/dbraw/zinc/18/32/26/317183226.db2.gz OEFNLXLAWKQIQX-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453588592 317191276 /nfs/dbraw/zinc/19/12/76/317191276.db2.gz ZBVRIWXTXDVJQP-CYBMUJFWSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1ccc(C(=O)NC(C)(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000456162940 317223249 /nfs/dbraw/zinc/22/32/49/317223249.db2.gz BFJVNNJUVRAHFV-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488062926 317364087 /nfs/dbraw/zinc/36/40/87/317364087.db2.gz IPORJKYVYTVJHA-ZDUSSCGKSA-N 1 0 314.389 2.709 20 5 DFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C)C[N@@H+]1C ZINC000575132466 318066212 /nfs/dbraw/zinc/06/62/12/318066212.db2.gz SDKBFBGIJBCTOL-NEPJUHHUSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000575861879 318087853 /nfs/dbraw/zinc/08/78/53/318087853.db2.gz MTQALZTZOBMXMR-STQMWFEESA-N 1 0 305.378 2.805 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCc2nccs2)n1 ZINC000575867601 318088261 /nfs/dbraw/zinc/08/82/61/318088261.db2.gz CGGNHDSXCIYFQJ-VXGBXAGGSA-N 1 0 321.406 2.564 20 5 DFBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575917016 318091516 /nfs/dbraw/zinc/09/15/16/318091516.db2.gz FWAWCAPHOOHANG-IAOVAPTHSA-N 1 0 322.405 2.749 20 5 DFBDRO [NH3+]CCC1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000575931083 318092593 /nfs/dbraw/zinc/09/25/93/318092593.db2.gz CDVHKCHZSFTIOS-UHFFFAOYSA-N 1 0 317.345 2.542 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1[N+](=O)[O-] ZINC000575967342 318094736 /nfs/dbraw/zinc/09/47/36/318094736.db2.gz IXXGYKMXZQLRPF-HOCLYGCPSA-N 1 0 302.374 2.904 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH3+])[C@@H](C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000575974485 318095383 /nfs/dbraw/zinc/09/53/83/318095383.db2.gz JUMKEAJHHSOXDB-GXFFZTMASA-N 1 0 300.362 2.625 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000576204913 318110390 /nfs/dbraw/zinc/11/03/90/318110390.db2.gz KXDAUZPZGGZXGU-OLZOCXBDSA-N 1 0 307.394 2.545 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCCC[NH2+]C2CC2)cc1[N+](=O)[O-] ZINC000576280783 318115926 /nfs/dbraw/zinc/11/59/26/318115926.db2.gz MVUNIOLRKSVIRG-UHFFFAOYSA-N 1 0 319.405 2.764 20 5 DFBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CCCS1 ZINC000576577464 318135311 /nfs/dbraw/zinc/13/53/11/318135311.db2.gz VYEFRTSQZCCZAM-HNNXBMFYSA-N 1 0 323.418 2.799 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576615605 318138414 /nfs/dbraw/zinc/13/84/14/318138414.db2.gz RWKNCRKAHRBHDN-BETUJISGSA-N 1 0 312.373 2.579 20 5 DFBDRO CC1=CCN(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000576767432 318149116 /nfs/dbraw/zinc/14/91/16/318149116.db2.gz KZQGCEOGSJOKKU-MRXNPFEDSA-N 1 0 301.390 2.824 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000576939823 318160755 /nfs/dbraw/zinc/16/07/55/318160755.db2.gz MGUBGEGJJXWIAY-LXZKKBNFSA-N 1 0 320.389 2.599 20 5 DFBDRO C[C@@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[N@H+](C)C1CC1 ZINC000577391485 318190375 /nfs/dbraw/zinc/19/03/75/318190375.db2.gz RZHDWERDOUKGDG-NSHDSACASA-N 1 0 304.394 2.763 20 5 DFBDRO C[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000577864727 318223245 /nfs/dbraw/zinc/22/32/45/318223245.db2.gz STFHZRSCYDRBDH-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578499406 318264904 /nfs/dbraw/zinc/26/49/04/318264904.db2.gz LNUCXRMOYJLRIY-YCPHGPKFSA-N 1 0 322.405 2.750 20 5 DFBDRO C[NH+](C)CCCCC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000578598164 318271328 /nfs/dbraw/zinc/27/13/28/318271328.db2.gz IIVQXCGPXFPWSF-UHFFFAOYSA-N 1 0 307.394 2.678 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578946982 318295867 /nfs/dbraw/zinc/29/58/67/318295867.db2.gz CXVUTQKHJKYWJK-CZUORRHYSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000579876404 318360204 /nfs/dbraw/zinc/36/02/04/318360204.db2.gz APUCLEUZUADORD-AAEUAGOBSA-N 1 0 303.362 2.776 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000580200918 318383326 /nfs/dbraw/zinc/38/33/26/318383326.db2.gz PUCXYKZKDGJFDN-UHFFFAOYSA-N 1 0 323.396 2.799 20 5 DFBDRO Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000193573992 323255124 /nfs/dbraw/zinc/25/51/24/323255124.db2.gz HMQBFURKDNRCAC-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000194361801 323267208 /nfs/dbraw/zinc/26/72/08/323267208.db2.gz OPMHTRWOYSAUJZ-KBXIAJHMSA-N 1 0 322.405 2.749 20 5 DFBDRO [NH3+]CC[C@H](Nc1ccc(Br)cc1[N+](=O)[O-])C(F)F ZINC000383379372 323304010 /nfs/dbraw/zinc/30/40/10/323304010.db2.gz LRPSYCMMRRMSCK-QMMMGPOBSA-N 1 0 324.125 2.752 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389600218 323336633 /nfs/dbraw/zinc/33/66/33/323336633.db2.gz STLHNERSHBHXRZ-VIFPVBQESA-N 1 0 318.299 2.762 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ncccc12 ZINC000391859704 323346323 /nfs/dbraw/zinc/34/63/23/323346323.db2.gz GQKSIDLYFWQTNV-BETUJISGSA-N 1 0 312.373 2.579 20 5 DFBDRO O=[N+]([O-])c1cccc(Br)c1OCC[C@H]1CC[NH2+]C1 ZINC000396745162 323353207 /nfs/dbraw/zinc/35/32/07/323353207.db2.gz XKOPOAWUUQPIAD-SECBINFHSA-N 1 0 315.167 2.736 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000580465409 323391064 /nfs/dbraw/zinc/39/10/64/323391064.db2.gz HPNJKMSTCCBXFR-YQQAZPJKSA-N 1 0 301.390 2.799 20 5 DFBDRO CC1(C)CCC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000581999146 323599181 /nfs/dbraw/zinc/59/91/81/323599181.db2.gz XCRWILDWVKRRBG-DZGCQCFKSA-N 1 0 322.405 2.893 20 5 DFBDRO [NH3+]C1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 ZINC000178319221 337163729 /nfs/dbraw/zinc/16/37/29/337163729.db2.gz QIUUZRIDTSUSEY-UHFFFAOYSA-N 1 0 305.381 2.951 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000584467360 337347274 /nfs/dbraw/zinc/34/72/74/337347274.db2.gz IVNDKAWHUREIQO-ZBFHGGJFSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc(NCCC[NH2+]CC2(O)CCCC2)c([N+](=O)[O-])c1 ZINC000584586212 337369399 /nfs/dbraw/zinc/36/93/99/337369399.db2.gz PPDDVKLBHRTJJD-UHFFFAOYSA-N 1 0 307.394 2.600 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000322146267 533747606 /nfs/dbraw/zinc/74/76/06/533747606.db2.gz XVNLNOVAYKWJBO-ZFWWWQNUSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000305863151 533821167 /nfs/dbraw/zinc/82/11/67/533821167.db2.gz YSGJGPODTXAOQK-PBHICJAKSA-N 1 0 320.389 2.730 20 5 DFBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1cc(CO)ccc1[N+](=O)[O-] ZINC000302023329 533866312 /nfs/dbraw/zinc/86/63/12/533866312.db2.gz GQQZIEOGZMIVRS-MJBXVCDLSA-N 1 0 321.421 2.865 20 5 DFBDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294792203 533894758 /nfs/dbraw/zinc/89/47/58/533894758.db2.gz OKTZVTJBBLNWOI-SWLSCSKDSA-N 1 0 315.373 2.604 20 5 DFBDRO C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000302073074 534088812 /nfs/dbraw/zinc/08/88/12/534088812.db2.gz WONMNNXZCJDILH-STQMWFEESA-N 1 0 307.394 2.619 20 5 DFBDRO CC[NH+]1CCC(N(C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000157458940 521565656 /nfs/dbraw/zinc/56/56/56/521565656.db2.gz GKSRLYJWTBSHSD-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000364151383 522437491 /nfs/dbraw/zinc/43/74/91/522437491.db2.gz RSOJWVHGJWUKNX-GFCCVEGCSA-N 1 0 319.361 2.985 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000294902150 534849725 /nfs/dbraw/zinc/84/97/25/534849725.db2.gz RRVDVMLZETYNDG-LLVKDONJSA-N 1 0 311.769 2.510 20 5 DFBDRO CC(C)(CO)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296582377 527203372 /nfs/dbraw/zinc/20/33/72/527203372.db2.gz ULBPOXXTBDGJEE-HNNXBMFYSA-N 1 0 306.406 2.914 20 5 DFBDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000305684200 527358380 /nfs/dbraw/zinc/35/83/80/527358380.db2.gz AAYZLNYFBBURSD-HNNXBMFYSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000366341380 527391429 /nfs/dbraw/zinc/39/14/29/527391429.db2.gz TUINMIMYXZWLGY-OAHLLOKOSA-N 1 0 320.389 2.601 20 5 DFBDRO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655525 527468567 /nfs/dbraw/zinc/46/85/67/527468567.db2.gz AYBLSDSKJBWKRW-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO CC(C)C1([NH2+]CC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000292936571 527623210 /nfs/dbraw/zinc/62/32/10/527623210.db2.gz HMXVTYJHBLDYJK-UHFFFAOYSA-N 1 0 311.769 2.965 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000299618321 528193257 /nfs/dbraw/zinc/19/32/57/528193257.db2.gz JPNLJNDHZXMIBP-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CCC[C@H]([NH2+]CCCc1cnn(C)n1)c1cccc([N+](=O)[O-])c1 ZINC000293796970 528218466 /nfs/dbraw/zinc/21/84/66/528218466.db2.gz UUJACUBLCSXGDZ-INIZCTEOSA-N 1 0 317.393 2.787 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000298942076 528231039 /nfs/dbraw/zinc/23/10/39/528231039.db2.gz ASSAUBXDXUSFBV-QWHCGFSZSA-N 1 0 322.409 2.685 20 5 DFBDRO CCOc1cc(N2CC[N@H+](C)C[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000301962270 528311423 /nfs/dbraw/zinc/31/14/23/528311423.db2.gz RHUWVMKCJCSACF-HNNXBMFYSA-N 1 0 307.394 2.770 20 5 DFBDRO CC(C)c1nnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[nH]1 ZINC000294798992 528445211 /nfs/dbraw/zinc/44/52/11/528445211.db2.gz MSNCAIBNJGRUEE-GFCCVEGCSA-N 1 0 317.393 2.947 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302061633 529274123 /nfs/dbraw/zinc/27/41/23/529274123.db2.gz SFUAJHOIONGLBX-CQSZACIVSA-N 1 0 307.394 2.764 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000174105492 535450897 /nfs/dbraw/zinc/45/08/97/535450897.db2.gz OFZUZVSNDSAPHT-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000360996372 535970809 /nfs/dbraw/zinc/97/08/09/535970809.db2.gz SJDOGANSVPWAJJ-AWEZNQCLSA-N 1 0 321.425 2.796 20 5 DFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255741322 536317278 /nfs/dbraw/zinc/31/72/78/536317278.db2.gz QZMBHYKJXCMGDX-ZBKLQPJUSA-N 1 0 304.346 2.636 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(-c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000261802183 536345953 /nfs/dbraw/zinc/34/59/53/536345953.db2.gz PFEYNWOSAPKTNR-QMMMGPOBSA-N 1 0 308.363 2.517 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1)c1ccccc1[N+](=O)[O-] ZINC000820425924 599368673 /nfs/dbraw/zinc/36/86/73/599368673.db2.gz CRUDOGHKTILJFN-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000278452930 214163457 /nfs/dbraw/zinc/16/34/57/214163457.db2.gz GKVPJXAOLNSXIH-UHFFFAOYSA-N 1 0 323.780 2.548 20 5 DFBDRO CC[NH+](CC)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000081940880 192342489 /nfs/dbraw/zinc/34/24/89/192342489.db2.gz MNDLKSXTOKPZGV-UHFFFAOYSA-N 1 0 317.187 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000278668217 214313209 /nfs/dbraw/zinc/31/32/09/214313209.db2.gz NVWHFCPMBWJPKV-UHFFFAOYSA-N 1 0 304.390 2.936 20 5 DFBDRO CCCC[C@H](COC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278689419 214328694 /nfs/dbraw/zinc/32/86/94/214328694.db2.gz MQNKWYJXIYLOGN-LLVKDONJSA-N 1 0 306.366 2.766 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278729950 214361478 /nfs/dbraw/zinc/36/14/78/214361478.db2.gz JBGUMXLKSCADKB-NOLJZWGESA-N 1 0 308.378 2.748 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278774314 214390827 /nfs/dbraw/zinc/39/08/27/214390827.db2.gz YOXCGDBYLBPABE-GXTWGEPZSA-N 1 0 314.769 2.532 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000320917620 231197840 /nfs/dbraw/zinc/19/78/40/231197840.db2.gz CIRXEEBGCIEXDA-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(NCCc2ccn(C)n2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000324047008 231220815 /nfs/dbraw/zinc/22/08/15/231220815.db2.gz FWTJOTJCHAYKEW-UHFFFAOYSA-N 1 0 311.345 2.840 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000322122842 231208454 /nfs/dbraw/zinc/20/84/54/231208454.db2.gz RPNCBJXURBCTLN-HUUCEWRRSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC000413130048 295678944 /nfs/dbraw/zinc/67/89/44/295678944.db2.gz CIDIHGPPPIZARO-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@H]21 ZINC000596167635 398345992 /nfs/dbraw/zinc/34/59/92/398345992.db2.gz FPAIDCYWVKILOK-ZYHUDNBSSA-N 1 0 310.785 2.564 20 5 DFBDRO CCN1CCN(c2cc(OC)c([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000596171423 398346715 /nfs/dbraw/zinc/34/67/15/398346715.db2.gz AAJZDYWWIWBOIK-JTQLQIEISA-N 1 0 313.785 2.787 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591902702 398347593 /nfs/dbraw/zinc/34/75/93/398347593.db2.gz DWPUROBOGKTPOT-AWEZNQCLSA-N 1 0 318.421 2.835 20 5 DFBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)c([N+](=O)[O-])s1 ZINC000596206765 398356786 /nfs/dbraw/zinc/35/67/86/398356786.db2.gz AEEHYNPOAPJOGK-NSHDSACASA-N 1 0 313.423 2.878 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000066157064 398360119 /nfs/dbraw/zinc/36/01/19/398360119.db2.gz SZRDUXJUPCJYIJ-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO Cc1c(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000066157992 398360160 /nfs/dbraw/zinc/36/01/60/398360160.db2.gz GCCFBWTYQKYVKZ-ZDUSSCGKSA-N 1 0 318.377 2.605 20 5 DFBDRO COc1ccc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000237153143 398367446 /nfs/dbraw/zinc/36/74/46/398367446.db2.gz UPYCANJRMVFXSX-KRWDZBQOSA-N 1 0 316.357 2.601 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C)C3(CCCCC3)C2)ncc1[N+](=O)[O-] ZINC000596249963 398367762 /nfs/dbraw/zinc/36/77/62/398367762.db2.gz DJNSIUOADOJKIT-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[NH+]1CCC(Nc2cc(Br)ccc2[N+](=O)[O-])CC1 ZINC000087834158 185232830 /nfs/dbraw/zinc/23/28/30/185232830.db2.gz SBFJMEPGOJEEJQ-UHFFFAOYSA-N 1 0 314.183 2.863 20 5 DFBDRO C[C@@H]1CN(c2c(Cl)cncc2[N+](=O)[O-])CC[N@@H+](C2CCC2)C1 ZINC000596241187 398365583 /nfs/dbraw/zinc/36/55/83/398365583.db2.gz OEIYVYDNZLBOKY-NSHDSACASA-N 1 0 324.812 2.954 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000008337721 398372058 /nfs/dbraw/zinc/37/20/58/398372058.db2.gz RCWCUEOIOQCCIW-CQSZACIVSA-N 1 0 315.377 2.577 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1c([N+](=O)[O-])ncn1C)c1ccccc1 ZINC000008337711 398372168 /nfs/dbraw/zinc/37/21/68/398372168.db2.gz ITTDEQIZCYSSQU-CQSZACIVSA-N 1 0 317.393 2.823 20 5 DFBDRO CCn1ccnc1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000296435321 529580575 /nfs/dbraw/zinc/58/05/75/529580575.db2.gz MALHWJWVXLTPNV-HNNXBMFYSA-N 1 0 314.389 2.922 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000596269387 398373339 /nfs/dbraw/zinc/37/33/39/398373339.db2.gz SOIWZPVAWYTTAB-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CCOc1cc(N2CCC[N@H+](CC)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000596268888 398372871 /nfs/dbraw/zinc/37/28/71/398372871.db2.gz MXWIYPIDAWCOEQ-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177677 185284993 /nfs/dbraw/zinc/28/49/93/185284993.db2.gz QVQDUJSQRKDHNB-JSGCOSHPSA-N 1 0 319.405 2.953 20 5 DFBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090552690 185302562 /nfs/dbraw/zinc/30/25/62/185302562.db2.gz VUYZQXBROWZWNP-HIFRSBDPSA-N 1 0 307.394 2.657 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCC[C@H]1O ZINC000245525586 398385706 /nfs/dbraw/zinc/38/57/06/398385706.db2.gz AALVADJZUXQKEY-RHSMWYFYSA-N 1 0 322.405 2.847 20 5 DFBDRO CCOc1cc(NC[C@H]2CCC[N@@H+]2CCOC)ccc1[N+](=O)[O-] ZINC000092649494 185331535 /nfs/dbraw/zinc/33/15/35/185331535.db2.gz PKOOGDNDOXAQHM-CQSZACIVSA-N 1 0 323.393 2.516 20 5 DFBDRO CC1(C)CCC[C@H]1[C@@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)C1 ZINC000592154398 398393510 /nfs/dbraw/zinc/39/35/10/398393510.db2.gz RQINLMVOEJFNQJ-HIFRSBDPSA-N 1 0 306.410 2.940 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1cc(C)on1)c1cccc([N+](=O)[O-])c1 ZINC000181546151 199315011 /nfs/dbraw/zinc/31/50/11/199315011.db2.gz PVBYNKPEBGXUPG-CYBMUJFWSA-N 1 0 318.333 2.571 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883754 529802541 /nfs/dbraw/zinc/80/25/41/529802541.db2.gz YAFFLNHPHZMJMC-UKINESCASA-N 1 0 301.390 2.636 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C2CCCC2)CC1 ZINC000020543737 398410527 /nfs/dbraw/zinc/41/05/27/398410527.db2.gz RVUKARWDOWRECH-UHFFFAOYSA-N 1 0 318.377 2.687 20 5 DFBDRO C[C@H](CCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000596453384 398416303 /nfs/dbraw/zinc/41/63/03/398416303.db2.gz KTNHPYQFKLAOBI-SECBINFHSA-N 1 0 314.773 2.710 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CO1 ZINC000592366739 398416421 /nfs/dbraw/zinc/41/64/21/398416421.db2.gz HXYMQVZACGDDMG-KWQFWETISA-N 1 0 304.268 2.881 20 5 DFBDRO CC[C@H]1CN(C(=O)c2ccc(SC)c([N+](=O)[O-])c2)CC[C@H]1[NH3+] ZINC000592332499 398413292 /nfs/dbraw/zinc/41/32/92/398413292.db2.gz YTIVWBSPUYLWTA-CMPLNLGQSA-N 1 0 323.418 2.516 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596445231 398414310 /nfs/dbraw/zinc/41/43/10/398414310.db2.gz CWBHAEDEMJIPQC-LBPRGKRZSA-N 1 0 306.366 2.589 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000584817079 398415389 /nfs/dbraw/zinc/41/53/89/398415389.db2.gz FTHPJHDOMAABSX-RWMBFGLXSA-N 1 0 306.362 2.896 20 5 DFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)[C@H]1CC[N@H+](CC)C1 ZINC000596458938 398417792 /nfs/dbraw/zinc/41/77/92/398417792.db2.gz YIAAVCDCYHVAOF-LBPRGKRZSA-N 1 0 324.356 2.682 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CC[C@H]3C[C@H]3C1)OCCO2 ZINC000592379194 398418855 /nfs/dbraw/zinc/41/88/55/398418855.db2.gz JPRYMJLQIUCEDH-GMXVVIOVSA-N 1 0 304.346 2.644 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000255080702 398424046 /nfs/dbraw/zinc/42/40/46/398424046.db2.gz ZDYRLTWBEMJNDX-WRLNGNIRSA-N 1 0 301.390 2.778 20 5 DFBDRO CC(C)c1ccc(CN2CC[NH2+]C[C@H]2C(F)F)cc1[N+](=O)[O-] ZINC000592434648 398425184 /nfs/dbraw/zinc/42/51/84/398425184.db2.gz LJXIMVZCIHYPDR-AWEZNQCLSA-N 1 0 313.348 2.757 20 5 DFBDRO Cc1cc(N2C[C@H]3COC[C@@]3(C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596480594 398425181 /nfs/dbraw/zinc/42/51/81/398425181.db2.gz NCELZTDEYKGWME-YVEFUNNKSA-N 1 0 313.357 2.924 20 5 DFBDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000592434552 398425339 /nfs/dbraw/zinc/42/53/39/398425339.db2.gz LJUFPHMPKXEVCA-KBPBESRZSA-N 1 0 309.385 2.850 20 5 DFBDRO CC[C@@H](NC(=O)C1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000592538037 398444632 /nfs/dbraw/zinc/44/46/32/398444632.db2.gz MUQHHODVZWIKGV-ABIUDSBCSA-N 1 0 305.378 2.680 20 5 DFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000585754764 398445345 /nfs/dbraw/zinc/44/53/45/398445345.db2.gz BPTIJMJXOBTQLF-GFCCVEGCSA-N 1 0 323.368 2.615 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000592568974 398446131 /nfs/dbraw/zinc/44/61/31/398446131.db2.gz SLENQPLGVYWNNW-CQSZACIVSA-N 1 0 317.389 2.562 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000592569793 398445837 /nfs/dbraw/zinc/44/58/37/398445837.db2.gz DKFBTICCFYZOCP-OAHLLOKOSA-N 1 0 317.389 2.616 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181686031 199338552 /nfs/dbraw/zinc/33/85/52/199338552.db2.gz WBUDESJSGCYTEO-OAHLLOKOSA-N 1 0 316.357 2.951 20 5 DFBDRO CC(C)c1ccc(CN2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000127920957 282962513 /nfs/dbraw/zinc/96/25/13/282962513.db2.gz VSWWZLQEZUXDEF-UHFFFAOYSA-N 1 0 303.406 2.998 20 5 DFBDRO COC1(C)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000271727404 398448782 /nfs/dbraw/zinc/44/87/82/398448782.db2.gz MHRYGOLPYFQIFP-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@]1(CCCO)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000272012419 398449384 /nfs/dbraw/zinc/44/93/84/398449384.db2.gz KQQXLKSMXRVTPC-QGZVFWFLSA-N 1 0 322.405 2.991 20 5 DFBDRO Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000596568043 398449499 /nfs/dbraw/zinc/44/94/99/398449499.db2.gz ZBVUIBXOZBTJMG-LBPRGKRZSA-N 1 0 313.423 2.512 20 5 DFBDRO Cc1ccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1 ZINC000026482856 398454627 /nfs/dbraw/zinc/45/46/27/398454627.db2.gz OVQQFNXSRITIEN-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO C[NH+]1CCC(CNc2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000317101201 530049638 /nfs/dbraw/zinc/04/96/38/530049638.db2.gz BGTXDQXBKMIJMT-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO CC1(C)Cc2n[nH]cc2CN(Cc2cccc([N+](=O)[O-])c2)C1 ZINC000596598910 398457291 /nfs/dbraw/zinc/45/72/91/398457291.db2.gz NXRYUORPRGVEHX-UHFFFAOYSA-N 1 0 300.362 2.902 20 5 DFBDRO Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)c([N+](=O)[O-])c1 ZINC000089603257 398459204 /nfs/dbraw/zinc/45/92/04/398459204.db2.gz PXZVDRNZYANXPD-CQSZACIVSA-N 1 0 305.378 2.568 20 5 DFBDRO C[C@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000027136750 398459788 /nfs/dbraw/zinc/45/97/88/398459788.db2.gz LHFOUHINJRDNIB-GXTWGEPZSA-N 1 0 310.394 2.701 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1 ZINC000586944653 398469946 /nfs/dbraw/zinc/46/99/46/398469946.db2.gz BBNKSGKMEBEVTN-LBPRGKRZSA-N 1 0 324.425 2.592 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC12CC(C1)C[NH2+]2 ZINC000596653982 398472244 /nfs/dbraw/zinc/47/22/44/398472244.db2.gz MWUXHCZPKIOGGV-UYJPIKCFSA-N 1 0 321.446 2.807 20 5 DFBDRO Cc1noc(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000279109850 282398070 /nfs/dbraw/zinc/39/80/70/282398070.db2.gz PBXOEFBWRFLDMH-CQSZACIVSA-N 1 0 316.361 2.841 20 5 DFBDRO COc1ccc(OCC[NH2+][C@H](C)c2ccccn2)c([N+](=O)[O-])c1 ZINC000181783457 199351945 /nfs/dbraw/zinc/35/19/45/199351945.db2.gz MSUKAEYKJZNVKN-GFCCVEGCSA-N 1 0 317.345 2.728 20 5 DFBDRO Cc1cc(NC[C@H]2C[N@@H+]3CCCC[C@@H]3CO2)ccc1[N+](=O)[O-] ZINC000090145372 398482443 /nfs/dbraw/zinc/48/24/43/398482443.db2.gz YJZHRCSBTIZXKQ-CABCVRRESA-N 1 0 305.378 2.568 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000331006198 232325607 /nfs/dbraw/zinc/32/56/07/232325607.db2.gz PWQDRIRAHSQCAI-NSHDSACASA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000170695196 197808714 /nfs/dbraw/zinc/80/87/14/197808714.db2.gz IFBKHSXYBWTBLJ-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO)CCc2ccccc2)cc1 ZINC000304028690 398500756 /nfs/dbraw/zinc/50/07/56/398500756.db2.gz FMISQNLUDRVMSW-UHFFFAOYSA-N 1 0 300.358 2.632 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000068443400 398504675 /nfs/dbraw/zinc/50/46/75/398504675.db2.gz QHUGGIIEHHSIMB-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689100 210095834 /nfs/dbraw/zinc/09/58/34/210095834.db2.gz WUGCVZDNJVIHEU-DVJJNNKXSA-N 1 0 301.390 2.634 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)cc1[N+](=O)[O-] ZINC000588817976 398509673 /nfs/dbraw/zinc/50/96/73/398509673.db2.gz GOMWELTYNNMWGA-JSGCOSHPSA-N 1 0 319.405 2.931 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)[C@H](C)C1 ZINC000115521365 185690331 /nfs/dbraw/zinc/69/03/31/185690331.db2.gz BXAYLOORJHANHY-UKRRQHHQSA-N 1 0 322.409 2.539 20 5 DFBDRO O=C(CC[N@@H+]1CCC12CCCC2)Nc1ccccc1[N+](=O)[O-] ZINC000593000263 398517003 /nfs/dbraw/zinc/51/70/03/398517003.db2.gz KCSADLGRJAYULZ-UHFFFAOYSA-N 1 0 303.362 2.942 20 5 DFBDRO Cc1cncc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000593020520 398522263 /nfs/dbraw/zinc/52/22/63/398522263.db2.gz NLHUASOGAJXKKB-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000444767971 297249548 /nfs/dbraw/zinc/24/95/48/297249548.db2.gz SGUAAMFKIJZSSU-INIZCTEOSA-N 1 0 308.378 2.601 20 5 DFBDRO C[C@H]([NH2+]C1(C2CCC2)CC1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000593080940 398539469 /nfs/dbraw/zinc/53/94/69/398539469.db2.gz MYEHUSNVFHNLSK-NSHDSACASA-N 1 0 303.362 2.844 20 5 DFBDRO O=C(CC[NH2+]C1(C2CCC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000593078868 398539502 /nfs/dbraw/zinc/53/95/02/398539502.db2.gz CKMRNOQUTZWJHY-UHFFFAOYSA-N 1 0 303.362 2.846 20 5 DFBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459607458 299146913 /nfs/dbraw/zinc/14/69/13/299146913.db2.gz GUUQKUBBVIDABU-BZNIZROVSA-N 1 0 305.378 2.752 20 5 DFBDRO C[C@@H](CCO)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000593108076 398547812 /nfs/dbraw/zinc/54/78/12/398547812.db2.gz LUJCXBFFIDBZAJ-VIFPVBQESA-N 1 0 306.284 2.816 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])cc1C ZINC000319959446 398544875 /nfs/dbraw/zinc/54/48/75/398544875.db2.gz CRGUDCAGNMZMNU-CHWSQXEVSA-N 1 0 305.378 2.951 20 5 DFBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1(C(=O)OC)CCC1 ZINC000272609493 210009951 /nfs/dbraw/zinc/00/99/51/210009951.db2.gz ZDTYFJVNALBVJW-OAHLLOKOSA-N 1 0 320.389 2.849 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000069120287 398550428 /nfs/dbraw/zinc/55/04/28/398550428.db2.gz CZOPJGAABSKQBO-HNNXBMFYSA-N 1 0 318.377 2.687 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000321591131 398553630 /nfs/dbraw/zinc/55/36/30/398553630.db2.gz JEZPBBQCCMYOMH-HUUCEWRRSA-N 1 0 318.377 2.733 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322024995 398555315 /nfs/dbraw/zinc/55/53/15/398555315.db2.gz VVYYQWXRVYJTJJ-DOMZBBRYSA-N 1 0 318.377 2.591 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000039196292 398557881 /nfs/dbraw/zinc/55/78/81/398557881.db2.gz JQIBHYCCJAKTGP-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000322626262 398558615 /nfs/dbraw/zinc/55/86/15/398558615.db2.gz UAEXEXKJCBQIFM-NWDGAFQWSA-N 1 0 313.361 2.577 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@H]3CCC[C@H]32)c1 ZINC000589514786 398558862 /nfs/dbraw/zinc/55/88/62/398558862.db2.gz MKYGNPIKBJFKHE-BXUZGUMPSA-N 1 0 304.346 2.756 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000414331067 295788525 /nfs/dbraw/zinc/78/85/25/295788525.db2.gz CSISNFKDIYPZSR-RYUDHWBXSA-N 1 0 323.393 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CO[C@H](C4CC4)C3)c2c1 ZINC000597132905 398572730 /nfs/dbraw/zinc/57/27/30/398572730.db2.gz NLUIOUFPFCRXET-GUYCJALGSA-N 1 0 315.373 2.776 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593229002 398576145 /nfs/dbraw/zinc/57/61/45/398576145.db2.gz FGNGKUMAIVYQAT-CYBMUJFWSA-N 1 0 300.362 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC=CCC1 ZINC000279938890 215255757 /nfs/dbraw/zinc/25/57/57/215255757.db2.gz HINBLRKSFSFZCD-UHFFFAOYSA-N 1 0 317.389 2.512 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000287073556 219297681 /nfs/dbraw/zinc/29/76/81/219297681.db2.gz VAOHIXRAUZPMDB-RHSMWYFYSA-N 1 0 303.406 2.696 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092650288 398589254 /nfs/dbraw/zinc/58/92/54/398589254.db2.gz UZWSYEFJNUIVCD-JTQLQIEISA-N 1 0 315.320 2.584 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000092656568 398591048 /nfs/dbraw/zinc/59/10/48/398591048.db2.gz AFOLRJFVIIDAEY-GFCCVEGCSA-N 1 0 323.368 2.665 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000590035764 398591599 /nfs/dbraw/zinc/59/15/99/398591599.db2.gz AHXSLUONSREDKX-UHFFFAOYSA-N 1 0 321.421 2.673 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000287083350 219302462 /nfs/dbraw/zinc/30/24/62/219302462.db2.gz OWFBBMLUZQLGSV-DZGCQCFKSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@]1(C(F)F)CN(C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253010 398608161 /nfs/dbraw/zinc/60/81/61/398608161.db2.gz WQYMSDDTQVYKCY-DRDHIDPGSA-N 1 0 312.316 2.964 20 5 DFBDRO C[C@]1(C(F)F)CN(C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000597253015 398608531 /nfs/dbraw/zinc/60/85/31/398608531.db2.gz WQYMSDDTQVYKCY-ZDTYVGOBSA-N 1 0 312.316 2.964 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071039269 398609346 /nfs/dbraw/zinc/60/93/46/398609346.db2.gz RHPPGTNGBFBEQP-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000043149326 398614609 /nfs/dbraw/zinc/61/46/09/398614609.db2.gz OCNSCGFYDKFQPE-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO O=c1cc(C[N@H+]2CCC[C@H](O)C2)c2c(ccc3ccccc32)o1 ZINC000072535693 398620059 /nfs/dbraw/zinc/62/00/59/398620059.db2.gz BEBWYBIFRXZWDN-HNNXBMFYSA-N 1 0 309.365 2.903 20 5 DFBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1c(C)cccc1[N+](=O)[O-] ZINC000072697650 398630363 /nfs/dbraw/zinc/63/03/63/398630363.db2.gz NAFVMPOYIMBZKB-WCQYABFASA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456654 398633725 /nfs/dbraw/zinc/63/37/25/398633725.db2.gz BBAXHOKMYAZNOO-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000072697851 398631049 /nfs/dbraw/zinc/63/10/49/398631049.db2.gz PVDSBCKBKPSFQF-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000590566445 398631777 /nfs/dbraw/zinc/63/17/77/398631777.db2.gz IWDOMIURKPABGA-WFASDCNBSA-N 1 0 319.405 2.883 20 5 DFBDRO C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000072771784 398637101 /nfs/dbraw/zinc/63/71/01/398637101.db2.gz YPDRZOBTIXDRQA-TXEJJXNPSA-N 1 0 323.418 2.749 20 5 DFBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593462797 398635532 /nfs/dbraw/zinc/63/55/32/398635532.db2.gz ZMRQTLAXRBUGPB-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000593465395 398636472 /nfs/dbraw/zinc/63/64/72/398636472.db2.gz RKGRKQJKOLARSM-MEDUHNTESA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414647020 295811340 /nfs/dbraw/zinc/81/13/40/295811340.db2.gz PXWDBJHUCUVEHM-AAEUAGOBSA-N 1 0 318.377 2.865 20 5 DFBDRO CC(C)OCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171497550 186169277 /nfs/dbraw/zinc/16/92/77/186169277.db2.gz HWIOPFQMLZJGRF-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO CCC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000164178216 186151204 /nfs/dbraw/zinc/15/12/04/186151204.db2.gz BGYQYUUVJFUVSS-IUODEOHRSA-N 1 0 303.366 2.706 20 5 DFBDRO CCOc1ccccc1[C@H](CC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000179733014 186211395 /nfs/dbraw/zinc/21/13/95/186211395.db2.gz JLZOZLDLMOIJIH-AWEZNQCLSA-N 1 0 318.377 2.931 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000459710992 299170212 /nfs/dbraw/zinc/17/02/12/299170212.db2.gz LQQCYSSRRLITFW-OAHLLOKOSA-N 1 0 308.378 2.994 20 5 DFBDRO Cc1ccc(NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000414659464 295812872 /nfs/dbraw/zinc/81/28/72/295812872.db2.gz NARBZOUSEWTCOT-LBPRGKRZSA-N 1 0 306.366 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCOC3(CCC3)C2)cc1 ZINC000590644564 398644591 /nfs/dbraw/zinc/64/45/91/398644591.db2.gz GMPPSPNECDJYJG-ZDUSSCGKSA-N 1 0 306.362 2.665 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000187990542 186240386 /nfs/dbraw/zinc/24/03/86/186240386.db2.gz LWMNQMHJRDKDGW-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000590652464 398645471 /nfs/dbraw/zinc/64/54/71/398645471.db2.gz CFZZUAZOAKIOSM-JQWIXIFHSA-N 1 0 304.350 2.518 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000072873353 398643843 /nfs/dbraw/zinc/64/38/43/398643843.db2.gz AQXIEISFDRFKMD-VXGBXAGGSA-N 1 0 321.377 2.520 20 5 DFBDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262867558 186316126 /nfs/dbraw/zinc/31/61/26/186316126.db2.gz URSZIHSVXVFOQJ-VHSXEESVSA-N 1 0 319.386 2.632 20 5 DFBDRO CCc1nn(C)c(NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-] ZINC000094137065 398654184 /nfs/dbraw/zinc/65/41/84/398654184.db2.gz ISKPLVQSAXVNIQ-STQMWFEESA-N 1 0 323.441 2.671 20 5 DFBDRO CN(C(=O)C[N@H+](C)C1CC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000459733831 299175777 /nfs/dbraw/zinc/17/57/77/299175777.db2.gz BYGFINWOHSAHRD-UHFFFAOYSA-N 1 0 305.378 2.678 20 5 DFBDRO C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050989624 425882510 /nfs/dbraw/zinc/88/25/10/425882510.db2.gz XTJKZYMFTWUDJN-UHFFFAOYSA-N 1 0 303.362 2.654 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN[C@@H]2CCC[NH2+]C2)o1 ZINC000414872683 295828593 /nfs/dbraw/zinc/82/85/93/295828593.db2.gz WQKOHMWBLRFJOB-GFCCVEGCSA-N 1 0 301.346 2.696 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](Cc3cc([N+](=O)[O-])ccc3Cl)C2)cn1 ZINC000172180964 198053391 /nfs/dbraw/zinc/05/33/91/198053391.db2.gz NPQFZQBWFYZWES-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO CO[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756550 398666987 /nfs/dbraw/zinc/66/69/87/398666987.db2.gz ZOCNDYDXTQRGFY-OLZOCXBDSA-N 1 0 305.334 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CC[NH2+]C3)o2)cc1 ZINC000414917687 295834784 /nfs/dbraw/zinc/83/47/84/295834784.db2.gz SFYATYMYEXSNCU-LBPRGKRZSA-N 1 0 301.346 2.554 20 5 DFBDRO Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000331615205 233903625 /nfs/dbraw/zinc/90/36/25/233903625.db2.gz MTIFWXXTTVAFMG-ZIAGYGMSSA-N 1 0 319.365 2.670 20 5 DFBDRO CC(C)([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000072662411 191210527 /nfs/dbraw/zinc/21/05/27/191210527.db2.gz ZKNZFXIJEKBXNT-UHFFFAOYSA-N 1 0 307.375 2.955 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC000072827613 191235508 /nfs/dbraw/zinc/23/55/08/191235508.db2.gz BQUSJWJAZHOKBD-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO CC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000072862918 191243898 /nfs/dbraw/zinc/24/38/98/191243898.db2.gz HBYDURNMDFSHNA-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@H]1O ZINC000331911474 234266715 /nfs/dbraw/zinc/26/67/15/234266715.db2.gz KUXFSHIAUOCIFP-BASLNEPJSA-N 1 0 320.389 2.518 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@H]1O ZINC000331913299 234269495 /nfs/dbraw/zinc/26/94/95/234269495.db2.gz KUXFSHIAUOCIFP-ZFVVBOAOSA-N 1 0 320.389 2.518 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000173571061 198228901 /nfs/dbraw/zinc/22/89/01/198228901.db2.gz UHYRSWWMCOUGOM-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000459805687 299197045 /nfs/dbraw/zinc/19/70/45/299197045.db2.gz PUMQTKSHRIIWMZ-RDJZCZTQSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1sc(C(=O)N(C)CC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000593884639 398699473 /nfs/dbraw/zinc/69/94/73/398699473.db2.gz UWSLZIUZISUJOU-UHFFFAOYSA-N 1 0 311.407 2.523 20 5 DFBDRO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000174241524 198309981 /nfs/dbraw/zinc/30/99/81/198309981.db2.gz SWRGTUKFFIHGBJ-CYBMUJFWSA-N 1 0 319.405 2.571 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854646 398704807 /nfs/dbraw/zinc/70/48/07/398704807.db2.gz KNUGDUSDDGSKJC-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000593915989 398703134 /nfs/dbraw/zinc/70/31/34/398703134.db2.gz NAUTYXHIMYDLKK-IAQYHMDHSA-N 1 0 319.405 2.801 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000174476286 198339332 /nfs/dbraw/zinc/33/93/32/198339332.db2.gz LSYPWCOQWFLDLH-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000597859025 398705544 /nfs/dbraw/zinc/70/55/44/398705544.db2.gz QATKMQLYSZOZJR-GFCCVEGCSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H]2c2cccc(F)c2)c1 ZINC000174830508 198390274 /nfs/dbraw/zinc/39/02/74/198390274.db2.gz REYCRWTWXJZVFV-HNNXBMFYSA-N 1 0 304.325 2.768 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277060983 213269892 /nfs/dbraw/zinc/26/98/92/213269892.db2.gz HYEXGTFFLZYIBN-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCC2)c1 ZINC000046855804 398721047 /nfs/dbraw/zinc/72/10/47/398721047.db2.gz WNXJAXRJRXBXAI-UHFFFAOYSA-N 1 0 323.418 2.532 20 5 DFBDRO C[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000597921460 398721376 /nfs/dbraw/zinc/72/13/76/398721376.db2.gz FQVHUMAVUKFHAQ-OCCSQVGLSA-N 1 0 319.405 2.687 20 5 DFBDRO Cc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] ZINC000236771309 202001241 /nfs/dbraw/zinc/00/12/41/202001241.db2.gz TUPVTHOBMAFEBN-UHFFFAOYSA-N 1 0 319.405 2.640 20 5 DFBDRO COc1cc(N[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1OC ZINC000277043055 213258410 /nfs/dbraw/zinc/25/84/10/213258410.db2.gz PMEIRYCNVJFTSO-LLVKDONJSA-N 1 0 309.366 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924457 398721897 /nfs/dbraw/zinc/72/18/97/398721897.db2.gz RYXOGUBGSBEPSJ-CYBMUJFWSA-N 1 0 319.405 2.814 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000594021315 398724371 /nfs/dbraw/zinc/72/43/71/398724371.db2.gz SYQMKISWAJSAMP-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1cccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1[N+](=O)[O-] ZINC000176931391 198639477 /nfs/dbraw/zinc/63/94/77/198639477.db2.gz UAWOEMZBGAMBOV-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-] ZINC000415421740 295882583 /nfs/dbraw/zinc/88/25/83/295882583.db2.gz VIKGKPZQUDFGIQ-AWEZNQCLSA-N 1 0 320.393 2.932 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000129798050 283028656 /nfs/dbraw/zinc/02/86/56/283028656.db2.gz KUQVBLYWSSPEAD-LBPRGKRZSA-N 1 0 323.393 2.832 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2OC)c([N+](=O)[O-])cc1F ZINC000277011067 213237965 /nfs/dbraw/zinc/23/79/65/213237965.db2.gz PTBZSYXAIFHICP-GXTWGEPZSA-N 1 0 312.341 2.790 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000415481366 295886422 /nfs/dbraw/zinc/88/64/22/295886422.db2.gz IVXIIOPOYRCGSM-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO CCN(C)C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000130209941 283042319 /nfs/dbraw/zinc/04/23/19/283042319.db2.gz HLBHPOOVKRBIMA-UHFFFAOYSA-N 1 0 307.394 2.674 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000415578982 295891761 /nfs/dbraw/zinc/89/17/61/295891761.db2.gz JKZREGUETSMNQU-ZDUSSCGKSA-N 1 0 318.377 2.570 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594042929 398729541 /nfs/dbraw/zinc/72/95/41/398729541.db2.gz JWTVEXZHUSKAAI-HZPDHXFCSA-N 1 0 308.378 2.911 20 5 DFBDRO C[NH2+]CC1CCN(C(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC000415580863 295891980 /nfs/dbraw/zinc/89/19/80/295891980.db2.gz MJYCDBFXDUBHDD-UHFFFAOYSA-N 1 0 320.393 2.675 20 5 DFBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594042927 398729653 /nfs/dbraw/zinc/72/96/53/398729653.db2.gz JWTVEXZHUSKAAI-CVEARBPZSA-N 1 0 308.378 2.911 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H]1CCCCO1 ZINC000594042661 398729782 /nfs/dbraw/zinc/72/97/82/398729782.db2.gz MSUJQEKGOXETHV-DOMZBBRYSA-N 1 0 318.377 2.908 20 5 DFBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594042930 398729807 /nfs/dbraw/zinc/72/98/07/398729807.db2.gz JWTVEXZHUSKAAI-JKSUJKDBSA-N 1 0 308.378 2.911 20 5 DFBDRO Cc1cc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000047143645 398737926 /nfs/dbraw/zinc/73/79/26/398737926.db2.gz DEXDZBPZEZOKKH-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000332594323 235164673 /nfs/dbraw/zinc/16/46/73/235164673.db2.gz OLZUBSMWWIOMPP-KBPBESRZSA-N 1 0 317.389 2.520 20 5 DFBDRO CC1CC[NH+](CCCCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000047198873 398740150 /nfs/dbraw/zinc/74/01/50/398740150.db2.gz DZMZSWJITYAQQS-UHFFFAOYSA-N 1 0 319.405 2.837 20 5 DFBDRO CCc1ccc(C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000598041224 398741775 /nfs/dbraw/zinc/74/17/75/398741775.db2.gz RYLYKDJAMZETQK-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO CC(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000047272607 398742361 /nfs/dbraw/zinc/74/23/61/398742361.db2.gz SPNUHCAOGJYSRT-UHFFFAOYSA-N 1 0 322.365 2.671 20 5 DFBDRO CC[C@H]1CN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)CC[C@H]1[NH3+] ZINC000591288604 398746269 /nfs/dbraw/zinc/74/62/69/398746269.db2.gz QNCQQNFEJOZZSS-QWHCGFSZSA-N 1 0 320.393 2.803 20 5 DFBDRO CC[C@@H](NC(=O)N1CCC(C)([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000591354723 398752165 /nfs/dbraw/zinc/75/21/65/398752165.db2.gz RIFBLKYLDXLNKS-CQSZACIVSA-N 1 0 320.393 2.569 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1C(F)(F)F ZINC000591436904 398760118 /nfs/dbraw/zinc/76/01/18/398760118.db2.gz CMWRUKZLSJUQGE-CABZTGNLSA-N 1 0 315.295 2.802 20 5 DFBDRO CC(C)[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[NH2+]1 ZINC000591435810 398760282 /nfs/dbraw/zinc/76/02/82/398760282.db2.gz XWWAQGIHTXJINZ-CQSZACIVSA-N 1 0 300.362 2.577 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000080164229 192007994 /nfs/dbraw/zinc/00/79/94/192007994.db2.gz YEVJUDTZGPRSND-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594202781 398764909 /nfs/dbraw/zinc/76/49/09/398764909.db2.gz RTGGECFYJDPIGS-KBPBESRZSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])NCC[NH2+]C1CC1 ZINC000591577239 398773053 /nfs/dbraw/zinc/77/30/53/398773053.db2.gz FVAGLHPFTDRDRQ-LBPRGKRZSA-N 1 0 309.435 2.807 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1[N+](=O)[O-] ZINC000598261415 398779600 /nfs/dbraw/zinc/77/96/00/398779600.db2.gz FHPIMBFERRTOTH-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1cc(C[N@H+](C)C[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000276942872 213192419 /nfs/dbraw/zinc/19/24/19/213192419.db2.gz SOQKGFLQNMYGHW-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](C)C2CCOCC2)ccc1[N+](=O)[O-] ZINC000276931375 213184405 /nfs/dbraw/zinc/18/44/05/213184405.db2.gz QYTQHKYOICBABW-GFCCVEGCSA-N 1 0 308.378 2.898 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000276872591 213146433 /nfs/dbraw/zinc/14/64/33/213146433.db2.gz HSSGNAQEOQKJSV-OCCSQVGLSA-N 1 0 308.378 2.729 20 5 DFBDRO CC[C@H]([NH2+]CCCN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000178343255 198852178 /nfs/dbraw/zinc/85/21/78/198852178.db2.gz AVJXCWOWHKTSBR-HNNXBMFYSA-N 1 0 305.378 2.648 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000178376336 198857139 /nfs/dbraw/zinc/85/71/39/198857139.db2.gz AGUMHNNFPPLPRL-HOTGVXAUSA-N 1 0 310.394 2.813 20 5 DFBDRO CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000594445760 398804531 /nfs/dbraw/zinc/80/45/31/398804531.db2.gz LLRFRXYJVXZBSD-SWLSCSKDSA-N 1 0 305.378 2.552 20 5 DFBDRO CCC[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490940 299263595 /nfs/dbraw/zinc/26/35/95/299263595.db2.gz PSHGSJLODOCOIY-GDBMZVCRSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC[C@@H]1CCCO1 ZINC000594490821 398808182 /nfs/dbraw/zinc/80/81/82/398808182.db2.gz QYGDUKIGTQWQCM-XJKSGUPXSA-N 1 0 320.389 2.757 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000594495344 398809367 /nfs/dbraw/zinc/80/93/67/398809367.db2.gz VLMPTJPZFPITCA-WWGRRREGSA-N 1 0 301.390 2.799 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000594494926 398809512 /nfs/dbraw/zinc/80/95/12/398809512.db2.gz LLHFRDYQAFQZCA-XJKSGUPXSA-N 1 0 301.390 2.656 20 5 DFBDRO NC(=O)C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000182018462 283294395 /nfs/dbraw/zinc/29/43/95/283294395.db2.gz MRXXPVHVRJLBRR-INIZCTEOSA-N 1 0 319.405 2.551 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000075604531 398812571 /nfs/dbraw/zinc/81/25/71/398812571.db2.gz DNBBXRXRPNYKKG-CMDGGOBGSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000179465173 199040439 /nfs/dbraw/zinc/04/04/39/199040439.db2.gz MQQUHVURSUTGAN-VFQAQYNWSA-N 1 0 313.361 2.537 20 5 DFBDRO CC(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075626945 398814246 /nfs/dbraw/zinc/81/42/46/398814246.db2.gz XIEHKCNOVGLNLK-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c(F)c1 ZINC000594522068 398815853 /nfs/dbraw/zinc/81/58/53/398815853.db2.gz XRWDPKJAGCHXBR-JKSUJKDBSA-N 1 0 307.369 2.840 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000050989353 398815160 /nfs/dbraw/zinc/81/51/60/398815160.db2.gz ZZDAIPBDELTEHQ-UHFFFAOYSA-N 1 0 317.389 2.962 20 5 DFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)cc1F ZINC000179618326 199065010 /nfs/dbraw/zinc/06/50/10/199065010.db2.gz IAZZTWBVEKAHSS-CYBMUJFWSA-N 1 0 310.304 2.810 20 5 DFBDRO CCCNC(=O)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000051402293 398821982 /nfs/dbraw/zinc/82/19/82/398821982.db2.gz PGEZAJWVJSKIMD-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO Nc1c(F)c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594597953 398827634 /nfs/dbraw/zinc/82/76/34/398827634.db2.gz FKGLEXUIXFLBEA-PWSUYJOCSA-N 1 0 308.357 2.745 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000594599333 398828515 /nfs/dbraw/zinc/82/85/15/398828515.db2.gz JGUNYOZCRIIIMT-DZGCQCFKSA-N 1 0 315.377 2.900 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@@H](C)C1CC1 ZINC000129996356 398841035 /nfs/dbraw/zinc/84/10/35/398841035.db2.gz SHMSDSILECQIKT-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000052486052 398841798 /nfs/dbraw/zinc/84/17/98/398841798.db2.gz WFTQFCYMSDFFLM-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594695905 398843910 /nfs/dbraw/zinc/84/39/10/398843910.db2.gz FENJJNSFEPRNKA-GFCCVEGCSA-N 1 0 324.812 2.859 20 5 DFBDRO [NH3+]CC12CC(C1)CN2c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000594699491 398844572 /nfs/dbraw/zinc/84/45/72/398844572.db2.gz WBALZZHGVPFVBW-UHFFFAOYSA-N 1 0 310.357 2.584 20 5 DFBDRO C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@H](C[NH3+])C1 ZINC000594697943 398844735 /nfs/dbraw/zinc/84/47/35/398844735.db2.gz BBZFRAODDWMBHZ-YPMHNXCESA-N 1 0 300.362 2.707 20 5 DFBDRO O=C(CC[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000594713911 398847365 /nfs/dbraw/zinc/84/73/65/398847365.db2.gz JMASHPBKAWBRKO-JSGCOSHPSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1cccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000052842938 398852289 /nfs/dbraw/zinc/85/22/89/398852289.db2.gz DRFMRRRBRICKFV-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cc1 ZINC000594738917 398853167 /nfs/dbraw/zinc/85/31/67/398853167.db2.gz JTWZOYBYPPEEHH-QGZVFWFLSA-N 1 0 313.357 2.868 20 5 DFBDRO C[NH+](C)CCN(C(=O)Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000076485812 398858366 /nfs/dbraw/zinc/85/83/66/398858366.db2.gz IOSJGTWWQRNEGX-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000180451386 199160310 /nfs/dbraw/zinc/16/03/10/199160310.db2.gz BEBLYIPCXPFCBI-ZDUSSCGKSA-N 1 0 307.394 2.891 20 5 DFBDRO Cc1noc(C)c1CCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153006992 283348755 /nfs/dbraw/zinc/34/87/55/283348755.db2.gz HHGBLGSVMUEIBK-UHFFFAOYSA-N 1 0 301.346 2.800 20 5 DFBDRO COC[C@H](Cc1ccccc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000468000899 299275416 /nfs/dbraw/zinc/27/54/16/299275416.db2.gz AIIWAGLSAJLFNO-KRWDZBQOSA-N 1 0 314.385 2.985 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000076925887 398875611 /nfs/dbraw/zinc/87/56/11/398875611.db2.gz JOSIJVOJTDLCEY-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCOC(=O)[C@H]1CCCN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000180762914 199206406 /nfs/dbraw/zinc/20/64/06/199206406.db2.gz ODSFXKLQNGMFAK-SBJJXXPASA-N 1 0 304.346 2.636 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CC(OC)C1 ZINC000594961142 398882767 /nfs/dbraw/zinc/88/27/67/398882767.db2.gz GAGAJRKPUWKDBG-UHFFFAOYSA-N 1 0 308.378 2.898 20 5 DFBDRO C[C@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594988123 398887378 /nfs/dbraw/zinc/88/73/78/398887378.db2.gz ZFDMHJWEDPJDBS-CYBMUJFWSA-N 1 0 314.288 2.501 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1COc2cc(F)ccc2C1 ZINC000594977980 398885503 /nfs/dbraw/zinc/88/55/03/398885503.db2.gz PBMCPYQVFKGDQU-AWEZNQCLSA-N 1 0 302.305 2.827 20 5 DFBDRO COc1cc(C[NH2+]C[C@]2(C)CC2(F)F)c([N+](=O)[O-])cc1OC ZINC000594983625 398886183 /nfs/dbraw/zinc/88/61/83/398886183.db2.gz GXZZVNNGVJPEGV-ZDUSSCGKSA-N 1 0 316.304 2.747 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(O)CCC(F)(F)CC2)c1 ZINC000594999688 398888668 /nfs/dbraw/zinc/88/86/68/398888668.db2.gz GPEHENDRYZVAQQ-UHFFFAOYSA-N 1 0 300.305 2.625 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468609808 299280636 /nfs/dbraw/zinc/28/06/36/299280636.db2.gz IVGSUANTVLHMPL-LCYFTJDESA-N 1 0 319.405 2.750 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000595000578 398889348 /nfs/dbraw/zinc/88/93/48/398889348.db2.gz LWJCGNMHJKCJHA-SMDDNHRTSA-N 1 0 306.387 2.911 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC1CC[NH+](C2CC2)CC1 ZINC000595002962 398889459 /nfs/dbraw/zinc/88/94/59/398889459.db2.gz AAFUXFMNZCBGHW-GFCCVEGCSA-N 1 0 319.405 2.881 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000595001711 398889485 /nfs/dbraw/zinc/88/94/85/398889485.db2.gz WEOUAVQLNRZMSW-SJCJKPOMSA-N 1 0 318.348 2.988 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccccn1 ZINC000595005176 398890367 /nfs/dbraw/zinc/89/03/67/398890367.db2.gz AFNXWXIFJARBBU-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO Cc1cnccc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598894801 398890967 /nfs/dbraw/zinc/89/09/67/398890967.db2.gz BYVSELLYTUPYAS-UHFFFAOYSA-N 1 0 312.329 2.772 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCn1ccnc1 ZINC000595011479 398891997 /nfs/dbraw/zinc/89/19/97/398891997.db2.gz FNIMGGKUMOYWSC-CYBMUJFWSA-N 1 0 318.377 2.931 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000595018322 398892237 /nfs/dbraw/zinc/89/22/37/398892237.db2.gz MINFGGKEFRNAKU-FRRDWIJNSA-N 1 0 319.405 2.879 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015740 398891905 /nfs/dbraw/zinc/89/19/05/398891905.db2.gz GNFKGGJDGSKYPU-KBPBESRZSA-N 1 0 321.421 2.986 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000175058264 283397152 /nfs/dbraw/zinc/39/71/52/283397152.db2.gz QMTDSBSYFFVVEA-CHWSQXEVSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000595016034 398892621 /nfs/dbraw/zinc/89/26/21/398892621.db2.gz GJOPCVDYHNBTKJ-TZMCWYRMSA-N 1 0 319.405 2.738 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CC12CC[NH2+]CC2 ZINC000598916282 398892779 /nfs/dbraw/zinc/89/27/79/398892779.db2.gz WRNWDMBMMSJFGD-LBPRGKRZSA-N 1 0 324.768 2.512 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000598915455 398892853 /nfs/dbraw/zinc/89/28/53/398892853.db2.gz MCYZOAYWSJSPPU-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO CCC([NH3+])(CC)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915160 398892966 /nfs/dbraw/zinc/89/29/66/398892966.db2.gz JADQBDZEPZDJLQ-UHFFFAOYSA-N 1 0 314.773 2.887 20 5 DFBDRO CC(C)[C@](C)(C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915985 398892991 /nfs/dbraw/zinc/89/29/91/398892991.db2.gz RUZUYIYBAYRUCK-ZDUSSCGKSA-N 1 0 314.773 2.743 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000595018302 398892485 /nfs/dbraw/zinc/89/24/85/398892485.db2.gz MFVXSUOHNDYWTK-JHJVBQTASA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000595021589 398893124 /nfs/dbraw/zinc/89/31/24/398893124.db2.gz PXOKMTKTQYCBJG-JQWIXIFHSA-N 1 0 316.361 2.535 20 5 DFBDRO Cc1cc(N2CCc3[nH+]ccc(N)c3C2)c(F)cc1[N+](=O)[O-] ZINC000598942615 398894706 /nfs/dbraw/zinc/89/47/06/398894706.db2.gz NEVRMPZCGXWSMU-UHFFFAOYSA-N 1 0 302.309 2.582 20 5 DFBDRO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000089303665 192762077 /nfs/dbraw/zinc/76/20/77/192762077.db2.gz XZIFFSYKYQEKLK-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO COC[C@H](CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000595058458 398898839 /nfs/dbraw/zinc/89/88/39/398898839.db2.gz ARYUEOKDZUCCKT-XJKSGUPXSA-N 1 0 322.405 2.958 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595058991 398899941 /nfs/dbraw/zinc/89/99/41/398899941.db2.gz DXFCQMPAFLSAHS-XOKHGSTOSA-N 1 0 320.389 2.613 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000595087126 398903345 /nfs/dbraw/zinc/90/33/45/398903345.db2.gz BDKXNBRURKDPDS-WCQYABFASA-N 1 0 308.378 2.663 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCC(O)CC1 ZINC000595090466 398903891 /nfs/dbraw/zinc/90/38/91/398903891.db2.gz CQZYTGJEVQAAFP-LKSINWNRSA-N 1 0 308.378 2.805 20 5 DFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187336961 200097413 /nfs/dbraw/zinc/09/74/13/200097413.db2.gz PVJSFAKDUKJBAT-INIZCTEOSA-N 1 0 322.405 2.645 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595221809 398911037 /nfs/dbraw/zinc/91/10/37/398911037.db2.gz FUXMMMOJOIMVSA-LBPRGKRZSA-N 1 0 323.418 2.508 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000599038113 398911142 /nfs/dbraw/zinc/91/11/42/398911142.db2.gz NSHALUTVTWTOCL-CQSZACIVSA-N 1 0 312.373 2.818 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000595225781 398911798 /nfs/dbraw/zinc/91/17/98/398911798.db2.gz OGZFOGZPEAATLR-VXGBXAGGSA-N 1 0 323.418 2.651 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H](C)Cc1ccsc1 ZINC000187791671 200157722 /nfs/dbraw/zinc/15/77/22/200157722.db2.gz CTZZFQZHCSIVFG-GFCCVEGCSA-N 1 0 308.407 2.806 20 5 DFBDRO C[C@H](O)C[C@H]1CCCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599057066 398914665 /nfs/dbraw/zinc/91/46/65/398914665.db2.gz CDYIHQJMGVWNSS-WCQYABFASA-N 1 0 301.346 2.883 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063235 398915569 /nfs/dbraw/zinc/91/55/69/398915569.db2.gz XZNHWNOJYWLXIX-ABAIWWIYSA-N 1 0 300.362 2.895 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](CCCF)CC1 ZINC000599094379 398921014 /nfs/dbraw/zinc/92/10/14/398921014.db2.gz VBRLIBQLIXKLGL-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319961 398921739 /nfs/dbraw/zinc/92/17/39/398921739.db2.gz UWJXKWWTQMJDTN-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO CC[C@@H]([NH2+]CC1(O)CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000151610270 398926710 /nfs/dbraw/zinc/92/67/10/398926710.db2.gz OBQBSCZFVFKPSI-CQSZACIVSA-N 1 0 310.419 2.894 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599139406 398927639 /nfs/dbraw/zinc/92/76/39/398927639.db2.gz NUJOJKUXZGPUJI-GFCCVEGCSA-N 1 0 321.377 2.525 20 5 DFBDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000471797347 299305575 /nfs/dbraw/zinc/30/55/75/299305575.db2.gz HZFYHDZHATWBKP-RISCZKNCSA-N 1 0 302.330 2.810 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595389465 398930786 /nfs/dbraw/zinc/93/07/86/398930786.db2.gz OVCFREIDNRVUAN-UHFFFAOYSA-N 1 0 306.341 2.761 20 5 DFBDRO CCc1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000471802448 299305366 /nfs/dbraw/zinc/30/53/66/299305366.db2.gz AZKJVSJBDWQQJA-CYBMUJFWSA-N 1 0 319.405 2.619 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCO[C@H]2CC2(F)F)C2CC2)cc1 ZINC000595405059 398932712 /nfs/dbraw/zinc/93/27/12/398932712.db2.gz RYWISJAGAHHYLV-AWEZNQCLSA-N 1 0 312.316 2.983 20 5 DFBDRO CC(C)(C)NC(=O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417331345 296010917 /nfs/dbraw/zinc/01/09/17/296010917.db2.gz WAHSJHRZDOPQET-HNNXBMFYSA-N 1 0 319.405 2.867 20 5 DFBDRO Cc1ccnc(N2CCC[N@@H+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000077994987 398934033 /nfs/dbraw/zinc/93/40/33/398934033.db2.gz ZCTJWKYGQVYLGR-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CC(C)C(=O)NCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417332372 296011188 /nfs/dbraw/zinc/01/11/88/296011188.db2.gz XEESUSYYPVLOPW-INIZCTEOSA-N 1 0 319.405 2.724 20 5 DFBDRO CC(C)CNC(=O)CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595420495 398934784 /nfs/dbraw/zinc/93/47/84/398934784.db2.gz GLRLHQWOKZPIRZ-ZDUSSCGKSA-N 1 0 307.394 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1ccnn1)CCCC2 ZINC000417347351 296012450 /nfs/dbraw/zinc/01/24/50/296012450.db2.gz VWNTZJUCRKIQNF-INIZCTEOSA-N 1 0 315.377 2.634 20 5 DFBDRO Cn1cc(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417348713 296012492 /nfs/dbraw/zinc/01/24/92/296012492.db2.gz YZRWJMGXEMMJRW-QGZVFWFLSA-N 1 0 314.389 2.928 20 5 DFBDRO Cn1ccc(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000417348318 296012496 /nfs/dbraw/zinc/01/24/96/296012496.db2.gz XYUMTOAOKVBRCO-KRWDZBQOSA-N 1 0 314.389 2.928 20 5 DFBDRO CC(C)CNC(=O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595414471 398934323 /nfs/dbraw/zinc/93/43/23/398934323.db2.gz KHUXWTUGXUBCNX-CYBMUJFWSA-N 1 0 307.394 2.798 20 5 DFBDRO C[C@@]1(C[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC(=O)N1 ZINC000417357988 296013283 /nfs/dbraw/zinc/01/32/83/296013283.db2.gz HIBLPWGJACXATL-RDJZCZTQSA-N 1 0 317.389 2.621 20 5 DFBDRO CSCCC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000281206506 216152919 /nfs/dbraw/zinc/15/29/19/216152919.db2.gz AVECBVIXCJGEOG-UHFFFAOYSA-N 1 0 311.407 2.608 20 5 DFBDRO CC(=O)c1nc(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])[nH]c1C ZINC000595420419 398935030 /nfs/dbraw/zinc/93/50/30/398935030.db2.gz DXEAETURHBSTQM-SNVBAGLBSA-N 1 0 316.361 2.722 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccccc1[N+](=O)[O-] ZINC000595423171 398935621 /nfs/dbraw/zinc/93/56/21/398935621.db2.gz MJJGZLPYODIRQL-CTHBEMJXSA-N 1 0 317.389 2.693 20 5 DFBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)c1[N+](=O)[O-] ZINC000595465761 398944689 /nfs/dbraw/zinc/94/46/89/398944689.db2.gz FUQFIGVMTKUOSP-MCIONIFRSA-N 1 0 323.393 2.797 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000155327048 398945463 /nfs/dbraw/zinc/94/54/63/398945463.db2.gz OMDNBNRLPJYNLT-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)n1 ZINC000595480433 398946991 /nfs/dbraw/zinc/94/69/91/398946991.db2.gz KCNCCZIUABIJNB-MCIONIFRSA-N 1 0 304.394 2.864 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272019910 209389346 /nfs/dbraw/zinc/38/93/46/209389346.db2.gz LHOPJLHAHYTBGX-UHFFFAOYSA-N 1 0 318.377 2.595 20 5 DFBDRO Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281295196 216219771 /nfs/dbraw/zinc/21/97/71/216219771.db2.gz CTFGJBAOBXAIAX-UHFFFAOYSA-N 1 0 320.393 2.853 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000272005728 209377822 /nfs/dbraw/zinc/37/78/22/209377822.db2.gz IYLLFSDQEMUQTB-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)cc1[N+](=O)[O-])C2 ZINC000595504408 398951674 /nfs/dbraw/zinc/95/16/74/398951674.db2.gz ITPHQCVBGKDHJZ-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO CC1(C)CC(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)C1 ZINC000599325995 398954410 /nfs/dbraw/zinc/95/44/10/398954410.db2.gz OQZASKHJNMDLGU-CYBMUJFWSA-N 1 0 304.394 2.912 20 5 DFBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000281349859 216239194 /nfs/dbraw/zinc/23/91/94/216239194.db2.gz XCJJQALIMFFLFC-UHFFFAOYSA-N 1 0 302.172 2.767 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000595525335 398956840 /nfs/dbraw/zinc/95/68/40/398956840.db2.gz RDOGDLDMWGRPDV-GOEBONIOSA-N 1 0 308.353 2.621 20 5 DFBDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196100 398957089 /nfs/dbraw/zinc/95/70/89/398957089.db2.gz NYRJEOBQUXHLGW-QWHCGFSZSA-N 1 0 307.394 2.940 20 5 DFBDRO CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196077 398957117 /nfs/dbraw/zinc/95/71/17/398957117.db2.gz AZTAGQZYRPYFSI-NEPJUHHUSA-N 1 0 307.394 2.939 20 5 DFBDRO CC(C)CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196068 398957274 /nfs/dbraw/zinc/95/72/74/398957274.db2.gz BXYSOBHSHFLRHL-CHWSQXEVSA-N 1 0 307.394 2.796 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1[N+](=O)[O-] ZINC000604561715 398958271 /nfs/dbraw/zinc/95/82/71/398958271.db2.gz TZNLADILXCCKDQ-CYBMUJFWSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000604561774 398958532 /nfs/dbraw/zinc/95/85/32/398958532.db2.gz YMFPHQCEPWCQIL-AWEZNQCLSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cccc1[N+](=O)[O-] ZINC000604561603 398958720 /nfs/dbraw/zinc/95/87/20/398958720.db2.gz MBFYYRUGCWAVEN-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599352549 398958774 /nfs/dbraw/zinc/95/87/74/398958774.db2.gz CSWZENFAHAXDHG-CQSZACIVSA-N 1 0 307.394 2.798 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)n1 ZINC000191886082 200773132 /nfs/dbraw/zinc/77/31/32/200773132.db2.gz UXCODJZWPPLCSP-HOTGVXAUSA-N 1 0 314.389 2.792 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ccncc2[N+](=O)[O-])C1 ZINC000078506263 398961958 /nfs/dbraw/zinc/96/19/58/398961958.db2.gz ATKILCWJYICNGG-OAHLLOKOSA-N 1 0 312.373 2.701 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc([N+](=O)[O-])c[nH]2)CC1 ZINC000056342132 398963524 /nfs/dbraw/zinc/96/35/24/398963524.db2.gz UKZNDGXNNGZOHP-UHFFFAOYSA-N 1 0 322.409 2.507 20 5 DFBDRO CCN(Cc1cc([O-])ccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+]1CC ZINC000599367810 398964587 /nfs/dbraw/zinc/96/45/87/398964587.db2.gz NBMOMYNPZDOXDG-AWEZNQCLSA-N 1 0 307.394 2.607 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000078563561 398966811 /nfs/dbraw/zinc/96/68/11/398966811.db2.gz GBMASGKPCIIJEM-GFCCVEGCSA-N 1 0 322.365 2.671 20 5 DFBDRO O=C1[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]32)CCN1c1cccc([N+](=O)[O-])c1 ZINC000595569552 398977421 /nfs/dbraw/zinc/97/74/21/398977421.db2.gz ZLLFDVATHNVYAI-RCBQFDQVSA-N 1 0 315.373 2.575 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000193884044 201139476 /nfs/dbraw/zinc/13/94/76/201139476.db2.gz HBLRHZORLLROKQ-KWCYVHTRSA-N 1 0 306.362 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 ZINC000194027177 201165220 /nfs/dbraw/zinc/16/52/20/201165220.db2.gz MTGXSJGDAQMSCT-BZUAXINKSA-N 1 0 302.374 2.685 20 5 DFBDRO CC[C@H](C)[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595592431 398988263 /nfs/dbraw/zinc/98/82/63/398988263.db2.gz DSBWKVITRPRNGD-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])[C@H](CO)Cc1ccccc1 ZINC000595590741 398988458 /nfs/dbraw/zinc/98/84/58/398988458.db2.gz BFYRIOCUDJVGCY-INIZCTEOSA-N 1 0 318.348 2.769 20 5 DFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000595592429 398988593 /nfs/dbraw/zinc/98/85/93/398988593.db2.gz DSBWKVITRPRNGD-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cn(C(C)C)nc2C)cc1[N+](=O)[O-] ZINC000281546384 216374881 /nfs/dbraw/zinc/37/48/81/216374881.db2.gz ZRQTXPLUGKHRMT-UHFFFAOYSA-N 1 0 318.377 2.979 20 5 DFBDRO Cc1cc(C)c(OC(=O)C2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000195310477 201378102 /nfs/dbraw/zinc/37/81/02/201378102.db2.gz NBLGRCDARKVFTB-UHFFFAOYSA-N 1 0 318.373 2.991 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCNC(=O)C(C)C)cccc1[N+](=O)[O-] ZINC000090880799 192940152 /nfs/dbraw/zinc/94/01/52/192940152.db2.gz HKJDUTFTGWBNDB-ZDUSSCGKSA-N 1 0 307.394 2.716 20 5 DFBDRO CC[C@@H]([NH2+]Cc1cc(=O)c(OC)co1)c1cccc([N+](=O)[O-])c1 ZINC000271843856 209261691 /nfs/dbraw/zinc/26/16/91/209261691.db2.gz ZVEHFSPVWZANGR-CQSZACIVSA-N 1 0 318.329 2.798 20 5 DFBDRO C/C=C/C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000600205732 399004468 /nfs/dbraw/zinc/00/44/68/399004468.db2.gz SEUORJMUJHCVMS-ONEGZZNKSA-N 1 0 316.304 2.913 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000275495040 212372603 /nfs/dbraw/zinc/37/26/03/212372603.db2.gz BYXMKILTJTVWIR-CABCVRRESA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000417973876 296068102 /nfs/dbraw/zinc/06/81/02/296068102.db2.gz CWOCZGBLTFTUOP-JSGCOSHPSA-N 1 0 322.409 2.671 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595642095 399015874 /nfs/dbraw/zinc/01/58/74/399015874.db2.gz NWOUHWXKULAROU-OLZOCXBDSA-N 1 0 310.394 2.749 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000595643315 399016311 /nfs/dbraw/zinc/01/63/11/399016311.db2.gz XJMMZGDFUJPZKF-GFCCVEGCSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000170735746 399019440 /nfs/dbraw/zinc/01/94/40/399019440.db2.gz XWAVLQMULFMHIA-QWHCGFSZSA-N 1 0 305.378 2.633 20 5 DFBDRO NC(=O)c1ccc(C[NH+]2CCC(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000595660036 399025168 /nfs/dbraw/zinc/02/51/68/399025168.db2.gz QOAOSQORYLWMMS-UHFFFAOYSA-N 1 0 317.389 2.706 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+](C1CC1)C1CC1 ZINC000599597992 399025802 /nfs/dbraw/zinc/02/58/02/399025802.db2.gz CCXIBRRKLZDBNR-UHFFFAOYSA-N 1 0 303.362 2.859 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599605873 399028471 /nfs/dbraw/zinc/02/84/71/399028471.db2.gz GDGRXAVZUCZKLF-AWEZNQCLSA-N 1 0 318.377 2.618 20 5 DFBDRO CN(c1ncc([N+](=O)[O-])s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000281888577 216611163 /nfs/dbraw/zinc/61/11/63/216611163.db2.gz LYAONSJXCLXJAA-ZDUSSCGKSA-N 1 0 318.402 2.762 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)CC1 ZINC000255049819 283846145 /nfs/dbraw/zinc/84/61/45/283846145.db2.gz WSEALWKSNOUZNR-YVMONPNESA-N 1 0 317.389 2.597 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)ccc1[N+](=O)[O-] ZINC000595677641 399031381 /nfs/dbraw/zinc/03/13/81/399031381.db2.gz PPHDDYUVQLHTHU-ZFWWWQNUSA-N 1 0 322.405 2.976 20 5 DFBDRO C[C@H](C[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)C1CCCCC1 ZINC000599632979 399035857 /nfs/dbraw/zinc/03/58/57/399035857.db2.gz IKJHSHUVTUHVTO-CQSZACIVSA-N 1 0 321.421 2.905 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632147 399036046 /nfs/dbraw/zinc/03/60/46/399036046.db2.gz UTTRJAMRFXZGCL-SNCVEODUSA-N 1 0 308.403 2.641 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632540 399036582 /nfs/dbraw/zinc/03/65/82/399036582.db2.gz YLLXJCZVUPTWML-XZXUEEQJSA-N 1 0 308.403 2.641 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599632148 399036669 /nfs/dbraw/zinc/03/66/69/399036669.db2.gz UTTRJAMRFXZGCL-SGVRJHEMSA-N 1 0 308.403 2.641 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696409 399039390 /nfs/dbraw/zinc/03/93/90/399039390.db2.gz KPSIECDAFNRIEJ-TZMCWYRMSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000595696405 399039487 /nfs/dbraw/zinc/03/94/87/399039487.db2.gz KPSIECDAFNRIEJ-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO O=C(C[N@@H+]1CCCC2(CC2)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000599672174 399055131 /nfs/dbraw/zinc/05/51/31/399055131.db2.gz BWSQHFRAHFVFIR-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255905608 283916784 /nfs/dbraw/zinc/91/67/84/283916784.db2.gz LONRYPFFTFAQAM-HLRDLLSLSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)c1[N+](=O)[O-] ZINC000600470144 399058530 /nfs/dbraw/zinc/05/85/30/399058530.db2.gz GMCVRGWTYPSYMN-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000293037366 223364365 /nfs/dbraw/zinc/36/43/65/223364365.db2.gz QKDFOMJFEKPPKQ-ZDUSSCGKSA-N 1 0 316.304 2.711 20 5 DFBDRO COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000599687479 399064198 /nfs/dbraw/zinc/06/41/98/399064198.db2.gz CDOLAQWJLPFJMN-AGGWBTHJSA-N 1 0 320.389 2.799 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000595742292 399065387 /nfs/dbraw/zinc/06/53/87/399065387.db2.gz YPHFWZZBKRSESA-HNNXBMFYSA-N 1 0 319.405 2.659 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@H](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595754813 399070489 /nfs/dbraw/zinc/07/04/89/399070489.db2.gz CMEDGXCGVAMASP-CYBMUJFWSA-N 1 0 323.368 2.629 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CCC[C@@](O)(C3CC3)C2)cc1 ZINC000595753315 399070650 /nfs/dbraw/zinc/07/06/50/399070650.db2.gz YOQHHDDPERFNBB-KRWDZBQOSA-N 1 0 320.389 2.601 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H](CCF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595754814 399070836 /nfs/dbraw/zinc/07/08/36/399070836.db2.gz CMEDGXCGVAMASP-ZDUSSCGKSA-N 1 0 323.368 2.629 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595756769 399072553 /nfs/dbraw/zinc/07/25/53/399072553.db2.gz WPTHSMPRSRPVJQ-STQMWFEESA-N 1 0 323.368 2.993 20 5 DFBDRO CC[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1 ZINC000595766377 399076869 /nfs/dbraw/zinc/07/68/69/399076869.db2.gz UOIZYCJQPYUXGR-ZDUSSCGKSA-N 1 0 319.361 2.671 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000613776742 399080088 /nfs/dbraw/zinc/08/00/88/399080088.db2.gz VIKVDTCAKWPQJY-CQSZACIVSA-N 1 0 320.393 2.898 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000330518437 284055121 /nfs/dbraw/zinc/05/51/21/284055121.db2.gz YBSYRVLCANGOHE-CJNGLKHVSA-N 1 0 321.421 2.764 20 5 DFBDRO CC1CC[NH+](CCN(C)CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000338350892 284104377 /nfs/dbraw/zinc/10/43/77/284104377.db2.gz KPTYEIXQRHXYCT-UHFFFAOYSA-N 1 0 305.422 2.801 20 5 DFBDRO C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000338434168 284113489 /nfs/dbraw/zinc/11/34/89/284113489.db2.gz BPHCCVVGRCSNMY-NSHDSACASA-N 1 0 308.769 2.666 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830193 399102338 /nfs/dbraw/zinc/10/23/38/399102338.db2.gz DLOKRRJMBBRUQG-ZIAGYGMSSA-N 1 0 317.389 2.600 20 5 DFBDRO CN(CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000419375549 296137548 /nfs/dbraw/zinc/13/75/48/296137548.db2.gz NETTUZFDZIRHML-UHFFFAOYSA-N 1 0 305.422 2.944 20 5 DFBDRO COCCCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000419389685 296139404 /nfs/dbraw/zinc/13/94/04/296139404.db2.gz OZVGXPLOGMKLRE-ZDUSSCGKSA-N 1 0 323.393 2.589 20 5 DFBDRO CC(C)NC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849202 399112568 /nfs/dbraw/zinc/11/25/68/399112568.db2.gz DWSRUBUPEYSROP-ZIAGYGMSSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000262583209 203339296 /nfs/dbraw/zinc/33/92/96/203339296.db2.gz RKTCXFGTMYPDAE-LBPRGKRZSA-N 1 0 319.405 2.622 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000093434357 193250706 /nfs/dbraw/zinc/25/07/06/193250706.db2.gz XGKZXLLXPCVLNW-QMMMGPOBSA-N 1 0 317.187 2.538 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093437329 193251816 /nfs/dbraw/zinc/25/18/16/193251816.db2.gz ZPODDAIPWGCOSY-ODINRWKCSA-N 1 0 301.390 2.777 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600725608 399124989 /nfs/dbraw/zinc/12/49/89/399124989.db2.gz JUUGXYRANCHKMD-NXEZZACHSA-N 1 0 323.340 2.615 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)o1 ZINC000093534329 193266321 /nfs/dbraw/zinc/26/63/21/193266321.db2.gz LNXPRRFVGGIKSL-LBPRGKRZSA-N 1 0 302.334 2.578 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000595902505 399129282 /nfs/dbraw/zinc/12/92/82/399129282.db2.gz QUXGSVUQNAIKJW-GUYJKWIASA-N 1 0 318.373 2.581 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000595908222 399130611 /nfs/dbraw/zinc/13/06/11/399130611.db2.gz GFRCRIJQSYODQQ-CALCHBBNSA-N 1 0 302.374 2.987 20 5 DFBDRO COCC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000595911126 399131696 /nfs/dbraw/zinc/13/16/96/399131696.db2.gz NMAXYBAUJXYZRQ-UHFFFAOYSA-N 1 0 308.378 2.913 20 5 DFBDRO [NH3+]C[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])[C@@H]1C(F)(F)F ZINC000600740818 399132500 /nfs/dbraw/zinc/13/25/00/399132500.db2.gz CGWVLNGGBMTNOR-GWCFXTLKSA-N 1 0 317.311 2.696 20 5 DFBDRO Cc1cc(N2CC[C@@H](C[NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420170248 296160289 /nfs/dbraw/zinc/16/02/89/296160289.db2.gz LYOPHSJYDMOMCA-VIFPVBQESA-N 1 0 303.284 2.707 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000600759761 399137461 /nfs/dbraw/zinc/13/74/61/399137461.db2.gz HNABQYQKSJZVAX-ZFWWWQNUSA-N 1 0 320.389 2.504 20 5 DFBDRO C[C@H]1C[NH2+]CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420166553 296160061 /nfs/dbraw/zinc/16/00/61/296160061.db2.gz IRCNTZAQLVZVRY-JTQLQIEISA-N 1 0 304.375 2.516 20 5 DFBDRO [NH3+]C1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000420164454 296160131 /nfs/dbraw/zinc/16/01/31/296160131.db2.gz LZWNAMRYUYGTLA-UHFFFAOYSA-N 1 0 301.293 2.878 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)C2([NH2+]C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000595941418 399140446 /nfs/dbraw/zinc/14/04/46/399140446.db2.gz PCQRZBSRHVHMOH-GFCCVEGCSA-N 1 0 317.389 2.755 20 5 DFBDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420192023 296161399 /nfs/dbraw/zinc/16/13/99/296161399.db2.gz RYTKERNSHLYVCX-VHSXEESVSA-N 1 0 315.320 2.760 20 5 DFBDRO Cc1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000341006052 284227333 /nfs/dbraw/zinc/22/73/33/284227333.db2.gz JPKCNIPWXLYUGF-UHFFFAOYSA-N 1 0 302.378 2.749 20 5 DFBDRO CCCC[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C(=O)OCC)c1 ZINC000420201546 296161988 /nfs/dbraw/zinc/16/19/88/296161988.db2.gz HSHPVZQODQZJLE-GFCCVEGCSA-N 1 0 309.366 2.701 20 5 DFBDRO COC(=O)c1cc(N[C@H]2CCCC[C@H]2C[NH3+])cc(C)c1[N+](=O)[O-] ZINC000420200783 296162042 /nfs/dbraw/zinc/16/20/42/296162042.db2.gz OHFFADVZIUHIBW-FZMZJTMJSA-N 1 0 321.377 2.619 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000420212698 296162682 /nfs/dbraw/zinc/16/26/82/296162682.db2.gz XQCOMHZLXCHNSL-HNNXBMFYSA-N 1 0 302.378 2.953 20 5 DFBDRO CC(C)c1ccc([C@H]([NH3+])CNc2c([N+](=O)[O-])ncn2C)cc1 ZINC000420222591 296163321 /nfs/dbraw/zinc/16/33/21/296163321.db2.gz SHSBDVCJOZFDQR-CYBMUJFWSA-N 1 0 303.366 2.564 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420228779 296163963 /nfs/dbraw/zinc/16/39/63/296163963.db2.gz FSPZEVSXBCWYGU-QWHCGFSZSA-N 1 0 312.373 2.843 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420226622 296163603 /nfs/dbraw/zinc/16/36/03/296163603.db2.gz ANPXLCUVZGXHEQ-JSGCOSHPSA-N 1 0 312.373 2.830 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420243922 296165098 /nfs/dbraw/zinc/16/50/98/296165098.db2.gz XYNOKIUJXQIFTD-PWSUYJOCSA-N 1 0 318.402 2.892 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000596015176 399147797 /nfs/dbraw/zinc/14/77/97/399147797.db2.gz ZPDRBVGLZSQMFF-NWDGAFQWSA-N 1 0 324.812 2.859 20 5 DFBDRO C[C@H]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C[NH3+])C1 ZINC000420254894 296166074 /nfs/dbraw/zinc/16/60/74/296166074.db2.gz DXGZTWOXVIBDHK-AAEUAGOBSA-N 1 0 300.362 2.707 20 5 DFBDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264582547 204010723 /nfs/dbraw/zinc/01/07/23/204010723.db2.gz JZQLPUNALUTQLY-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1[C@@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420253642 296166103 /nfs/dbraw/zinc/16/61/03/296166103.db2.gz QDAKQCSXVUWGKU-SKDRFNHKSA-N 1 0 304.375 2.644 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264595768 204017699 /nfs/dbraw/zinc/01/76/99/204017699.db2.gz MIEXIUOXYULGPO-LBPRGKRZSA-N 1 0 323.418 2.665 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000420257008 296166286 /nfs/dbraw/zinc/16/62/86/296166286.db2.gz VXDGFNXVCWOUIR-UHFFFAOYSA-N 1 0 317.393 2.817 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CCC[NH3+] ZINC000420256958 296166292 /nfs/dbraw/zinc/16/62/92/296166292.db2.gz HXQIGIKXJTVTJE-MRVPVSSYSA-N 1 0 315.757 2.574 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)c1ncc([N+](=O)[O-])cc1Cl ZINC000420256354 296166432 /nfs/dbraw/zinc/16/64/32/296166432.db2.gz VBIHSJMDBBZCDM-UHFFFAOYSA-N 1 0 312.801 2.989 20 5 DFBDRO Cc1ccc(C[C@H](C[NH3+])CO)cc1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000600791558 399149570 /nfs/dbraw/zinc/14/95/70/399149570.db2.gz RSEQIXKXQZCMJQ-OAHLLOKOSA-N 1 0 314.385 2.988 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080464225 399150212 /nfs/dbraw/zinc/15/02/12/399150212.db2.gz VVGPNVLCUWHPON-CHWSQXEVSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)cc1[N+](=O)[O-] ZINC000080464124 399150378 /nfs/dbraw/zinc/15/03/78/399150378.db2.gz USWGALZWUTVBLN-OCCSQVGLSA-N 1 0 303.362 2.716 20 5 DFBDRO COc1cc(NC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])cc1F ZINC000420262784 296167011 /nfs/dbraw/zinc/16/70/11/296167011.db2.gz RNOGDDZYHMSGSX-XYPYZODXSA-N 1 0 311.357 2.920 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000596014862 399148422 /nfs/dbraw/zinc/14/84/22/399148422.db2.gz UVOOJHFXHUDCPI-LBPRGKRZSA-N 1 0 324.812 2.859 20 5 DFBDRO Cc1cc(N[C@@H]2CC[C@@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420265655 296167144 /nfs/dbraw/zinc/16/71/44/296167144.db2.gz FBGBKYJJSBFDBG-VXGBXAGGSA-N 1 0 300.362 2.991 20 5 DFBDRO CCOc1cccc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[N+](=O)[O-] ZINC000420265729 296167169 /nfs/dbraw/zinc/16/71/69/296167169.db2.gz FGJHQEKKRCADSD-UONOGXRCSA-N 1 0 319.405 2.819 20 5 DFBDRO C[NH2+]CCc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600794290 399148848 /nfs/dbraw/zinc/14/88/48/399148848.db2.gz RUYOQLYNDNYBQK-UHFFFAOYSA-N 1 0 300.358 2.559 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000420274065 296168087 /nfs/dbraw/zinc/16/80/87/296168087.db2.gz JMQDQOIUBQRUDE-RKDXNWHRSA-N 1 0 301.293 2.736 20 5 DFBDRO CCc1ccccc1[C@H]([NH3+])CNc1ncc([N+](=O)[O-])cc1C ZINC000420272774 296168226 /nfs/dbraw/zinc/16/82/26/296168226.db2.gz ITKDCSBHRKSXFC-OAHLLOKOSA-N 1 0 300.362 2.973 20 5 DFBDRO C[NH2+]C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1Br ZINC000596033220 399152144 /nfs/dbraw/zinc/15/21/44/399152144.db2.gz RYQQRPHPNBKQAZ-MRVPVSSYSA-N 1 0 302.172 2.686 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1[NH3+] ZINC000420268060 296167432 /nfs/dbraw/zinc/16/74/32/296167432.db2.gz DMWUGCMVMKTAMN-GWCFXTLKSA-N 1 0 316.336 2.579 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000420276592 296168476 /nfs/dbraw/zinc/16/84/76/296168476.db2.gz PHBLPDJYPRHYBL-KBPBESRZSA-N 1 0 317.389 2.623 20 5 DFBDRO O=[N+]([O-])c1ccc(CNC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596059977 399158616 /nfs/dbraw/zinc/15/86/16/399158616.db2.gz WSAQMAMFTWTDMU-MRXNPFEDSA-N 1 0 303.406 2.806 20 5 DFBDRO Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C[NH+](C)C)c1 ZINC000265044658 204362047 /nfs/dbraw/zinc/36/20/47/204362047.db2.gz KPAHPDXISNWLQN-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)[NH+]1CCCC1 ZINC000596069390 399162289 /nfs/dbraw/zinc/16/22/89/399162289.db2.gz FUBIMKIIRYIMMY-CYBMUJFWSA-N 1 0 310.373 2.848 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])CC(C)C ZINC000596070583 399162510 /nfs/dbraw/zinc/16/25/10/399162510.db2.gz SCJOOVVIQZXYCY-GFCCVEGCSA-N 1 0 310.398 2.864 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618584826 399169703 /nfs/dbraw/zinc/16/97/03/399169703.db2.gz OIBGQNULLAIERF-GJZGRUSLSA-N 1 0 315.377 2.534 20 5 DFBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000342031885 284311889 /nfs/dbraw/zinc/31/18/89/284311889.db2.gz KZYYRHCWHGJOBQ-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO C[NH2+]C[C@H](C)NCc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000596108798 399175992 /nfs/dbraw/zinc/17/59/92/399175992.db2.gz YKHQMOIXYBPRKX-NSHDSACASA-N 1 0 319.361 2.561 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282650414 217153272 /nfs/dbraw/zinc/15/32/72/217153272.db2.gz CIFNWUVZOXBEDR-WFASDCNBSA-N 1 0 310.369 2.963 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000342067166 284321235 /nfs/dbraw/zinc/32/12/35/284321235.db2.gz OXJRNSLNZJQIEF-CQSZACIVSA-N 1 0 308.378 2.601 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420385817 296184448 /nfs/dbraw/zinc/18/44/48/296184448.db2.gz FJCOYEZURBCUHY-BBRMVZONSA-N 1 0 319.405 2.567 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000097257901 193700206 /nfs/dbraw/zinc/70/02/06/193700206.db2.gz WVCUVWWLMWTWAD-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cc(N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600950930 399183954 /nfs/dbraw/zinc/18/39/54/399183954.db2.gz BRTRLWUTAKWTFQ-PWSUYJOCSA-N 1 0 317.311 2.867 20 5 DFBDRO Cc1cccc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1[N+](=O)[O-] ZINC000600953244 399185455 /nfs/dbraw/zinc/18/54/55/399185455.db2.gz XSZLPOCMRACFNS-GHMZBOCLSA-N 1 0 317.311 2.867 20 5 DFBDRO Cc1cc(N2C[C@H]([NH3+])C[C@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000600962686 399188700 /nfs/dbraw/zinc/18/87/00/399188700.db2.gz JOICXYQUMDAGHZ-RKDXNWHRSA-N 1 0 314.183 2.592 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000600963563 399189196 /nfs/dbraw/zinc/18/91/96/399189196.db2.gz YHDZASDUUYTXLH-OKILXGFUSA-N 1 0 310.357 2.597 20 5 DFBDRO [NH3+][C@@H]1CCCCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000600959482 399187352 /nfs/dbraw/zinc/18/73/52/399187352.db2.gz XXINGSJAWWGNGV-CYBMUJFWSA-N 1 0 300.362 2.851 20 5 DFBDRO C[C@H]1CCCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614251756 399190331 /nfs/dbraw/zinc/19/03/31/399190331.db2.gz TVXWUKMETLESTL-LBPRGKRZSA-N 1 0 306.362 2.988 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000266197579 205177259 /nfs/dbraw/zinc/17/72/59/205177259.db2.gz CNWGIRIBIOBDHF-UHFFFAOYSA-N 1 0 305.378 2.890 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000198374858 399194213 /nfs/dbraw/zinc/19/42/13/399194213.db2.gz DFEFAPMGSSNTTO-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CC1(C)CC(NC(=O)c2c(F)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000600981546 399194450 /nfs/dbraw/zinc/19/44/50/399194450.db2.gz CTACLQWLXVLNLS-UHFFFAOYSA-N 1 0 323.368 2.773 20 5 DFBDRO CC(C)(CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000015624470 182009390 /nfs/dbraw/zinc/00/93/90/182009390.db2.gz UBHDBPGGBWMTLN-UHFFFAOYSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@H]1[NH+](C)C ZINC000596157143 399195476 /nfs/dbraw/zinc/19/54/76/399195476.db2.gz OUKZNZUIHYQXKC-NOZJJQNGSA-N 1 0 317.311 3.000 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C(C)=O)cc2[N+](=O)[O-])C1 ZINC000266224425 205195823 /nfs/dbraw/zinc/19/58/23/205195823.db2.gz RJTWLXFFIKDGCB-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([NH2+]C2CCCC2)CC1 ZINC000080982392 399200077 /nfs/dbraw/zinc/20/00/77/399200077.db2.gz BCUCVDXSFFCRKM-UHFFFAOYSA-N 1 0 304.394 2.799 20 5 DFBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000266377010 205303836 /nfs/dbraw/zinc/30/38/36/205303836.db2.gz MLTLRKONXBVOMB-VIFPVBQESA-N 1 0 303.309 2.948 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601011464 399203190 /nfs/dbraw/zinc/20/31/90/399203190.db2.gz RKGPFTXRPLUPCG-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000063726990 399204966 /nfs/dbraw/zinc/20/49/66/399204966.db2.gz VDWBRYRLEPVFTH-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000063724965 399204575 /nfs/dbraw/zinc/20/45/75/399204575.db2.gz SWZPRCWSOCUPLX-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000420642697 296195427 /nfs/dbraw/zinc/19/54/27/296195427.db2.gz WLQYIMUXKZRECN-VIFPVBQESA-N 1 0 318.299 2.539 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000601020854 399204900 /nfs/dbraw/zinc/20/49/00/399204900.db2.gz GHZXIAXFJXHWJI-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO Cc1c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000288441910 220145168 /nfs/dbraw/zinc/14/51/68/220145168.db2.gz OXBFJMBBXYECDT-TZMCWYRMSA-N 1 0 317.389 2.602 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342608335 284379068 /nfs/dbraw/zinc/37/90/68/284379068.db2.gz SIGNQIAKQWROPJ-HNNXBMFYSA-N 1 0 308.378 2.994 20 5 DFBDRO CCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCOCC1 ZINC000266648167 205501609 /nfs/dbraw/zinc/50/16/09/205501609.db2.gz XDTQKXBIVURGAP-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000267431685 206061515 /nfs/dbraw/zinc/06/15/15/206061515.db2.gz MSJGSBILQXSSOX-CYBMUJFWSA-N 1 0 316.361 2.576 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000420945310 296216119 /nfs/dbraw/zinc/21/61/19/296216119.db2.gz RNEGYJIHMBJLDC-ZIAGYGMSSA-N 1 0 322.405 2.832 20 5 DFBDRO CCC[C@H](CCO)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000601139861 399239649 /nfs/dbraw/zinc/23/96/49/399239649.db2.gz MIUCSHBJDMFDTD-LLVKDONJSA-N 1 0 318.320 2.837 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000267553640 206141493 /nfs/dbraw/zinc/14/14/93/206141493.db2.gz SGPKWJCZXFYKAI-CABCVRRESA-N 1 0 317.389 2.860 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601165989 399245530 /nfs/dbraw/zinc/24/55/30/399245530.db2.gz WVIASSCJLVNZOW-UHFFFAOYSA-N 1 0 311.357 2.586 20 5 DFBDRO Cc1cc(Nc2cnn(C3CC[NH+](C)CC3)c2)ncc1[N+](=O)[O-] ZINC000601226670 399259073 /nfs/dbraw/zinc/25/90/73/399259073.db2.gz PLXPAMDHAHZHMH-UHFFFAOYSA-N 1 0 316.365 2.505 20 5 DFBDRO CCC1([NH+](C)C)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000601226388 399259143 /nfs/dbraw/zinc/25/91/43/399259143.db2.gz HIACFQSCLFMCQG-UHFFFAOYSA-N 1 0 323.422 2.615 20 5 DFBDRO CCN(C(=O)Nc1ccc([N+](=O)[O-])cc1F)C1CC[NH+](C)CC1 ZINC000601227499 399259279 /nfs/dbraw/zinc/25/92/79/399259279.db2.gz QJECOZFAQUMMCY-UHFFFAOYSA-N 1 0 324.356 2.682 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(F)F ZINC000601299335 399272683 /nfs/dbraw/zinc/27/26/83/399272683.db2.gz PBWJTIXGYSRGRI-GWCFXTLKSA-N 1 0 302.321 2.522 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H](O)C(F)F)CCC2 ZINC000601299365 399272619 /nfs/dbraw/zinc/27/26/19/399272619.db2.gz PUIDMUSGSJICRS-STQMWFEESA-N 1 0 300.305 2.578 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1CC1 ZINC000601298778 399272897 /nfs/dbraw/zinc/27/28/97/399272897.db2.gz LBTCSTKUMZOHLV-TZMCWYRMSA-N 1 0 314.332 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H](O)C(F)(F)F ZINC000601300236 399273442 /nfs/dbraw/zinc/27/34/42/399273442.db2.gz GJNDKIYPOGDCIP-HOTUBEGUSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000601302999 399273680 /nfs/dbraw/zinc/27/36/80/399273680.db2.gz AFLUPVGCRISKGJ-ZIAGYGMSSA-N 1 0 304.350 2.966 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)N(Cc1csc([N+](=O)[O-])c1)CCO2 ZINC000601323460 399277848 /nfs/dbraw/zinc/27/78/48/399277848.db2.gz AMOMVKKILDMEDB-UHFFFAOYSA-N 1 0 305.359 2.514 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000601335370 399278519 /nfs/dbraw/zinc/27/85/19/399278519.db2.gz STVJGHQTIHECAM-FZMZJTMJSA-N 1 0 309.797 2.822 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000421513434 296261937 /nfs/dbraw/zinc/26/19/37/296261937.db2.gz FFSNHNMCDARMFQ-HIFRSBDPSA-N 1 0 319.405 2.670 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000601442268 399289584 /nfs/dbraw/zinc/28/95/84/399289584.db2.gz WVZOZNZBROICSX-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608901160 399300237 /nfs/dbraw/zinc/30/02/37/399300237.db2.gz TYCLMPSCTUJFGT-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150763925 284667087 /nfs/dbraw/zinc/66/70/87/284667087.db2.gz HQOVAOFZQZNMLM-HNNXBMFYSA-N 1 0 317.389 2.685 20 5 DFBDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)CC(C)C ZINC000042547260 183283127 /nfs/dbraw/zinc/28/31/27/183283127.db2.gz ZMIZVODJEGIASS-GFCCVEGCSA-N 1 0 311.382 2.674 20 5 DFBDRO Cc1nccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260515 399311633 /nfs/dbraw/zinc/31/16/33/399311633.db2.gz UTHJGOPJIXNAMX-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601671235 399318159 /nfs/dbraw/zinc/31/81/59/399318159.db2.gz KMGLTYZRBLVPBH-LBPRGKRZSA-N 1 0 323.368 2.584 20 5 DFBDRO COc1ccc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1[N+](=O)[O-] ZINC000051854318 425883300 /nfs/dbraw/zinc/88/33/00/425883300.db2.gz PAOFDXAQEIIYJH-CYBMUJFWSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000609843759 399333007 /nfs/dbraw/zinc/33/30/07/399333007.db2.gz VHOSRNXCFZGRAG-GFCCVEGCSA-N 1 0 320.393 2.755 20 5 DFBDRO Cc1c(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000609842738 399333091 /nfs/dbraw/zinc/33/30/91/399333091.db2.gz HQPNIPPYNNOSJF-GFCCVEGCSA-N 1 0 320.393 2.755 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000609843442 399333103 /nfs/dbraw/zinc/33/31/03/399333103.db2.gz GJQOCRDAJPTCHM-GFCCVEGCSA-N 1 0 320.393 2.755 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)cc1[N+](=O)[O-] ZINC000284410948 218017295 /nfs/dbraw/zinc/01/72/95/218017295.db2.gz QNIUNPZVDMZTAL-NOLJZWGESA-N 1 0 324.421 2.712 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000104687430 194025439 /nfs/dbraw/zinc/02/54/39/194025439.db2.gz JLQSZWOFSYPZNJ-NSHDSACASA-N 1 0 309.366 2.662 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000610252141 399350956 /nfs/dbraw/zinc/35/09/56/399350956.db2.gz OZMHSTXIILBAMP-HZPDHXFCSA-N 1 0 319.405 2.640 20 5 DFBDRO CS[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCCC1 ZINC000273916194 211170942 /nfs/dbraw/zinc/17/09/42/211170942.db2.gz BBRMBXCYGLGHJY-JKSUJKDBSA-N 1 0 321.446 2.606 20 5 DFBDRO C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])Cc2ccccc2C1 ZINC000610279415 399353524 /nfs/dbraw/zinc/35/35/24/399353524.db2.gz NTCKPPQGDUMXKH-UHFFFAOYSA-N 1 0 312.373 2.501 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284757448 218165060 /nfs/dbraw/zinc/16/50/60/218165060.db2.gz LXGQQXYSFFOONC-XJKSGUPXSA-N 1 0 306.362 2.747 20 5 DFBDRO Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000105443231 194104229 /nfs/dbraw/zinc/10/42/29/194104229.db2.gz XNMSPOJERYUKCP-LBPRGKRZSA-N 1 0 302.378 2.834 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2C3CCCC2CCC3)c1 ZINC000610370129 399362558 /nfs/dbraw/zinc/36/25/58/399362558.db2.gz WFPURGSEMGTVTG-XUJLQICISA-N 1 0 320.389 2.742 20 5 DFBDRO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000610422077 399366326 /nfs/dbraw/zinc/36/63/26/399366326.db2.gz UTOSCBGSGGUXAP-DXCKQFNASA-N 1 0 319.405 2.892 20 5 DFBDRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284989330 218249243 /nfs/dbraw/zinc/24/92/43/218249243.db2.gz GKYSPTBFRVSBQN-LBPRGKRZSA-N 1 0 306.410 2.700 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000601965007 399370573 /nfs/dbraw/zinc/37/05/73/399370573.db2.gz MGRWKMCZTIUZSB-IXDOHACOSA-N 1 0 322.405 2.548 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601969902 399371682 /nfs/dbraw/zinc/37/16/82/399371682.db2.gz MPLMSPPYDFJNJK-SWLSCSKDSA-N 1 0 305.378 2.599 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CC12CC3CC(CC(C3)C1)C2 ZINC000610477010 399371715 /nfs/dbraw/zinc/37/17/15/399371715.db2.gz GJYPHKKJRSTIPR-UHFFFAOYSA-N 1 0 318.421 2.977 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@@H](C(F)F)CC1 ZINC000601972376 399371974 /nfs/dbraw/zinc/37/19/74/399371974.db2.gz ZOGKTCBYGFLVMR-LYKUJDHUSA-N 1 0 312.316 2.964 20 5 DFBDRO Cc1cnn([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105900297 194164775 /nfs/dbraw/zinc/16/47/75/194164775.db2.gz QVBFBDGOTRFSIF-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO CCn1cnnc1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000105928675 194173422 /nfs/dbraw/zinc/17/34/22/194173422.db2.gz APGCWZCZADWAGA-UHFFFAOYSA-N 1 0 315.377 2.586 20 5 DFBDRO CCOC(CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OCC ZINC000285070520 218279485 /nfs/dbraw/zinc/27/94/85/218279485.db2.gz JFIFHGZZJJUALX-LLVKDONJSA-N 1 0 311.382 2.617 20 5 DFBDRO CCSCCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000619715549 399381691 /nfs/dbraw/zinc/38/16/91/399381691.db2.gz QOHKGVORJDLOEX-UHFFFAOYSA-N 1 0 312.391 2.599 20 5 DFBDRO COC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000610604923 399385620 /nfs/dbraw/zinc/38/56/20/399385620.db2.gz GOGKUSUOGFGTLD-HNNXBMFYSA-N 1 0 308.378 2.993 20 5 DFBDRO COC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000610604924 399385896 /nfs/dbraw/zinc/38/58/96/399385896.db2.gz GOGKUSUOGFGTLD-OAHLLOKOSA-N 1 0 308.378 2.993 20 5 DFBDRO CCn1cc(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000285307284 218373447 /nfs/dbraw/zinc/37/34/47/218373447.db2.gz LUDAHULESQNIDI-UHFFFAOYSA-N 1 0 302.378 2.528 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000615838933 399387974 /nfs/dbraw/zinc/38/79/74/399387974.db2.gz XXTRRGNDFPEZQI-VXXVJXPCSA-N 1 0 313.361 2.537 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])s1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107523436 194255968 /nfs/dbraw/zinc/25/59/68/194255968.db2.gz TVZZRXVCDZPATG-LBPRGKRZSA-N 1 0 323.418 2.747 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619782567 399391721 /nfs/dbraw/zinc/39/17/21/399391721.db2.gz DDWFZGPWBQMFKE-YPMHNXCESA-N 1 0 322.386 2.747 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000610678136 399391758 /nfs/dbraw/zinc/39/17/58/399391758.db2.gz DKKNXIKLHBGQBK-GXSJLCMTSA-N 1 0 315.320 2.948 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000610678652 399391817 /nfs/dbraw/zinc/39/18/17/399391817.db2.gz YVNZMSVZVMZXQN-IAQYHMDHSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@H]([C@H]2CCCO2)C1 ZINC000610682540 399392716 /nfs/dbraw/zinc/39/27/16/399392716.db2.gz PUBYRFZWTRTRPX-WQVCFCJDSA-N 1 0 306.362 2.536 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000610682539 399392937 /nfs/dbraw/zinc/39/29/37/399392937.db2.gz PUBYRFZWTRTRPX-UHOFOFEASA-N 1 0 306.362 2.536 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(Cl)c1 ZINC000110490026 194334175 /nfs/dbraw/zinc/33/41/75/194334175.db2.gz NNFPNXURNYTHQR-NEPJUHHUSA-N 1 0 311.769 2.523 20 5 DFBDRO COC(=O)c1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000610763604 399403873 /nfs/dbraw/zinc/40/38/73/399403873.db2.gz DRPMCWYAXMGTIK-UHFFFAOYSA-N 1 0 314.341 2.714 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000610765566 399403935 /nfs/dbraw/zinc/40/39/35/399403935.db2.gz WMIARBMJWNPJBW-MRXNPFEDSA-N 1 0 313.357 2.781 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCN2C[C@@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000610798732 399407929 /nfs/dbraw/zinc/40/79/29/399407929.db2.gz WGTXWJMZXHQBMT-QLFBSQMISA-N 1 0 321.421 2.663 20 5 DFBDRO CN1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804179 399408016 /nfs/dbraw/zinc/40/80/16/399408016.db2.gz MCBMINGJCRETFH-HOTGVXAUSA-N 1 0 303.406 2.600 20 5 DFBDRO C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000056343667 184011231 /nfs/dbraw/zinc/01/12/31/184011231.db2.gz LRABXXSJKRMZKE-ZDUSSCGKSA-N 1 0 320.393 2.838 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610828035 399410647 /nfs/dbraw/zinc/41/06/47/399410647.db2.gz FYJKJBPPINUNDY-ZLIFDBKOSA-N 1 0 319.405 2.892 20 5 DFBDRO CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000610828282 399410766 /nfs/dbraw/zinc/41/07/66/399410766.db2.gz RAOXEOPDWRRLHC-IOASZLSFSA-N 1 0 319.405 2.811 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N(C)CCOC(C)(C)C ZINC000610859723 399412810 /nfs/dbraw/zinc/41/28/10/399412810.db2.gz JZYCTBKJFUUARL-GFCCVEGCSA-N 1 0 323.393 2.669 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000422724478 296322234 /nfs/dbraw/zinc/32/22/34/296322234.db2.gz VTXTYUGAIPXDHT-ZDUSSCGKSA-N 1 0 319.405 2.790 20 5 DFBDRO C[C@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000269011841 207163734 /nfs/dbraw/zinc/16/37/34/207163734.db2.gz AFAIGFYDDPLWOU-KBPBESRZSA-N 1 0 307.394 2.896 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611158497 399440135 /nfs/dbraw/zinc/44/01/35/399440135.db2.gz QHKDJTUIGKPECA-BLLLJJGKSA-N 1 0 324.352 2.945 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)c([N+](=O)[O-])n1 ZINC000602447902 399446964 /nfs/dbraw/zinc/44/69/64/399446964.db2.gz CQISJFDPOVXBSW-OAHLLOKOSA-N 1 0 318.352 2.675 20 5 DFBDRO CC(C)CC[C@@H]([NH3+])C(=O)NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000602452117 399447897 /nfs/dbraw/zinc/44/78/97/399447897.db2.gz GFQGBNJWKDANJF-MRXNPFEDSA-N 1 0 321.421 2.797 20 5 DFBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])s2)CC[N@@H+]1CCOC ZINC000611228180 399447991 /nfs/dbraw/zinc/44/79/91/399447991.db2.gz NZUSGOIADIEPJI-LBPRGKRZSA-N 1 0 313.423 2.593 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)c([N+](=O)[O-])n1 ZINC000602453246 399448605 /nfs/dbraw/zinc/44/86/05/399448605.db2.gz JTUOBIYSPYOUOF-HNNXBMFYSA-N 1 0 318.352 2.675 20 5 DFBDRO CC(C)CC[C@@H]([NH3+])C(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000602460941 399450322 /nfs/dbraw/zinc/45/03/22/399450322.db2.gz HYDYHBJQDXZPBB-CQSZACIVSA-N 1 0 307.394 2.710 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000611248143 399450925 /nfs/dbraw/zinc/45/09/25/399450925.db2.gz FRHNEVRAVGOHPJ-UBHSHLNASA-N 1 0 308.378 2.948 20 5 DFBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000611254669 399451855 /nfs/dbraw/zinc/45/18/55/399451855.db2.gz QDQJZJWARVXVDW-CYBMUJFWSA-N 1 0 306.362 2.986 20 5 DFBDRO COc1cc(N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255922 399452499 /nfs/dbraw/zinc/45/24/99/399452499.db2.gz UMFACRWSRZLBMM-STQMWFEESA-N 1 0 323.368 2.806 20 5 DFBDRO Cn1cc(C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)c([N+](=O)[O-])n1 ZINC000602472223 399454493 /nfs/dbraw/zinc/45/44/93/399454493.db2.gz PTSILKSQGUAVIS-CYBMUJFWSA-N 1 0 318.352 2.532 20 5 DFBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602473324 399454569 /nfs/dbraw/zinc/45/45/69/399454569.db2.gz FNEOCNHXZGDBCV-HNNXBMFYSA-N 1 0 302.378 2.781 20 5 DFBDRO [NH3+]C1(C(=O)NCc2cc([N+](=O)[O-])ccc2Cl)CCCCC1 ZINC000269091420 207234415 /nfs/dbraw/zinc/23/44/15/207234415.db2.gz KTMQQELKYZWHFI-UHFFFAOYSA-N 1 0 311.769 2.526 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000602476353 399456028 /nfs/dbraw/zinc/45/60/28/399456028.db2.gz ODPRIZQSNUHPHM-CZUORRHYSA-N 1 0 314.389 2.954 20 5 DFBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@@H]1c1ccccc1 ZINC000602476351 399456420 /nfs/dbraw/zinc/45/64/20/399456420.db2.gz ODPRIZQSNUHPHM-BBRMVZONSA-N 1 0 314.389 2.954 20 5 DFBDRO Cc1nn(C)cc1[C@H]1CCCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611285920 399457891 /nfs/dbraw/zinc/45/78/91/399457891.db2.gz PVMBLECTLIBDCV-MRXNPFEDSA-N 1 0 316.361 2.679 20 5 DFBDRO CCOCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602504403 399462447 /nfs/dbraw/zinc/46/24/47/399462447.db2.gz VFBMYPRYSYNYRE-UHFFFAOYSA-N 1 0 323.212 2.935 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@@H](CC2CC2)c2ccccc2)c1 ZINC000611336971 399462938 /nfs/dbraw/zinc/46/29/38/399462938.db2.gz WVVWENIOMWOASC-INIZCTEOSA-N 1 0 300.362 2.922 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCOCC3CC3)nc2c1 ZINC000602510260 399464216 /nfs/dbraw/zinc/46/42/16/399464216.db2.gz GLSJAKRCHIVQSE-UHFFFAOYSA-N 1 0 305.334 2.642 20 5 DFBDRO CC[C@@H]([NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)C ZINC000602521615 399467157 /nfs/dbraw/zinc/46/71/57/399467157.db2.gz MGLVHCXNPDTNIX-OAHLLOKOSA-N 1 0 306.410 2.983 20 5 DFBDRO COC(=O)c1[nH]c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1C ZINC000602518081 399466450 /nfs/dbraw/zinc/46/64/50/399466450.db2.gz NAJITZBVNZSCGG-NSHDSACASA-N 1 0 317.345 2.869 20 5 DFBDRO COC[C@@H](C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602527971 399468705 /nfs/dbraw/zinc/46/87/05/399468705.db2.gz KYPIHOOIXZYBEX-ZETCQYMHSA-N 1 0 323.212 2.791 20 5 DFBDRO [NH3+]C1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000346691289 284926873 /nfs/dbraw/zinc/92/68/73/284926873.db2.gz VPUPVIKRRBVDFX-UHFFFAOYSA-N 1 0 301.346 2.778 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnc2ccnn2c1)c1cccc([N+](=O)[O-])c1 ZINC000611403890 399470992 /nfs/dbraw/zinc/47/09/92/399470992.db2.gz GZNSFDIORFVSBO-HNNXBMFYSA-N 1 0 311.345 2.878 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000602551804 399473914 /nfs/dbraw/zinc/47/39/14/399473914.db2.gz FWMHPNAQUYSMAM-YPMHNXCESA-N 1 0 305.378 2.589 20 5 DFBDRO CC[C@@H](COC)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602552387 399474114 /nfs/dbraw/zinc/47/41/14/399474114.db2.gz VENWAFHRYFAIKM-ZETCQYMHSA-N 1 0 323.212 2.933 20 5 DFBDRO CC(C)(C)OC(=O)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602563407 399476520 /nfs/dbraw/zinc/47/65/20/399476520.db2.gz WMEGQEGLPZBQIY-UHFFFAOYSA-N 1 0 308.378 2.849 20 5 DFBDRO CO[C@@H](C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000602561042 399476142 /nfs/dbraw/zinc/47/61/42/399476142.db2.gz PWKIRYNAMHCBOU-RDJZCZTQSA-N 1 0 322.405 2.559 20 5 DFBDRO CC(C)O[C@@H](C[NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccccc1 ZINC000602568260 399478757 /nfs/dbraw/zinc/47/87/57/399478757.db2.gz IMLOOPXVKULENT-INIZCTEOSA-N 1 0 318.377 2.547 20 5 DFBDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000422758000 296327852 /nfs/dbraw/zinc/32/78/52/296327852.db2.gz DMDSIZSNVAJXFE-CYBMUJFWSA-N 1 0 305.378 2.542 20 5 DFBDRO CC1(C)C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602568091 399478937 /nfs/dbraw/zinc/47/89/37/399478937.db2.gz WGEPKZBUFFCLJH-LBPRGKRZSA-N 1 0 304.394 2.594 20 5 DFBDRO CCc1ccc(C(=O)N2CCCCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602579820 399481774 /nfs/dbraw/zinc/48/17/74/399481774.db2.gz KPZJWWLOTDEITL-CQSZACIVSA-N 1 0 305.378 2.501 20 5 DFBDRO CC(C)(CO)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602583389 399483037 /nfs/dbraw/zinc/48/30/37/399483037.db2.gz VAIKTNQULHJIMM-UHFFFAOYSA-N 1 0 323.212 2.527 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)c1ccccc1[N+](=O)[O-] ZINC000602583785 399483130 /nfs/dbraw/zinc/48/31/30/399483130.db2.gz UROGBBOCDQDHMO-RYUDHWBXSA-N 1 0 303.366 2.661 20 5 DFBDRO CO[C@H]1CCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)[C@@H](C[NH3+])C1 ZINC000346860369 284963484 /nfs/dbraw/zinc/96/34/84/284963484.db2.gz UOFYNTAOWKUVEQ-CABCVRRESA-N 1 0 321.421 2.656 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000422772247 296330579 /nfs/dbraw/zinc/33/05/79/296330579.db2.gz SFJPSHJRGMDNBJ-NSHDSACASA-N 1 0 323.418 2.531 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1[N+](=O)[O-] ZINC000611515320 399485883 /nfs/dbraw/zinc/48/58/83/399485883.db2.gz HIBGDQFQHPJKCE-ZDUSSCGKSA-N 1 0 316.361 2.706 20 5 DFBDRO [NH3+]CC1(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CCCCC1 ZINC000602601602 399487107 /nfs/dbraw/zinc/48/71/07/399487107.db2.gz KTKKWTBFSXBNEF-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO [NH3+]C[C@H]1CCN(C(=O)c2csc([N+](=O)[O-])c2)c2ccccc21 ZINC000602620733 399492323 /nfs/dbraw/zinc/49/23/23/399492323.db2.gz FPDHDNQGVRVVRO-SNVBAGLBSA-N 1 0 317.370 2.749 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCCN2C2CC2)cc1 ZINC000602635466 399498722 /nfs/dbraw/zinc/49/87/22/399498722.db2.gz YYWHBSQWYNJANJ-QGZVFWFLSA-N 1 0 303.406 2.744 20 5 DFBDRO COC(=O)c1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)[nH]c1C ZINC000602633377 399497208 /nfs/dbraw/zinc/49/72/08/399497208.db2.gz KWFUOLUYNZGTON-UHFFFAOYSA-N 1 0 317.345 2.616 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC34CCCC4)CC2)cn1 ZINC000602636553 399498597 /nfs/dbraw/zinc/49/85/97/399498597.db2.gz JLHBCCDVGVAASE-OAHLLOKOSA-N 1 0 316.405 2.881 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000611616429 399499093 /nfs/dbraw/zinc/49/90/93/399499093.db2.gz OAEHXLWAOHETOR-KBPBESRZSA-N 1 0 304.394 2.670 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000611616023 399499109 /nfs/dbraw/zinc/49/91/09/399499109.db2.gz UIPJPIWUOUWUDE-UHFFFAOYSA-N 1 0 318.421 2.919 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO1 ZINC000602638799 399499330 /nfs/dbraw/zinc/49/93/30/399499330.db2.gz XCDTXKLJMLATOH-JTQLQIEISA-N 1 0 304.350 2.518 20 5 DFBDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602657103 399505009 /nfs/dbraw/zinc/50/50/09/399505009.db2.gz WQXONWUIGLOLDO-LLVKDONJSA-N 1 0 320.311 2.968 20 5 DFBDRO C[C@H]1C[C@H](Nc2ncnc3ccc([N+](=O)[O-])cc32)C[N@@H+]1C1CC1 ZINC000611707733 399508592 /nfs/dbraw/zinc/50/85/92/399508592.db2.gz KVRRLBYVWGSKKL-QWRGUYRKSA-N 1 0 313.361 2.575 20 5 DFBDRO CC(=O)N[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347373171 285019716 /nfs/dbraw/zinc/01/97/16/285019716.db2.gz WRIXVLHCRLQPSE-RCBBPTIPSA-N 1 0 317.389 2.599 20 5 DFBDRO CCn1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)c1 ZINC000616786294 399512436 /nfs/dbraw/zinc/51/24/36/399512436.db2.gz SETDRGWMYQZVNR-UHFFFAOYSA-N 1 0 303.362 2.927 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCc1cn[nH]c1 ZINC000602669247 399512751 /nfs/dbraw/zinc/51/27/51/399512751.db2.gz HJTDBURMVBGFMH-UHFFFAOYSA-N 1 0 314.267 2.669 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000422889169 296351293 /nfs/dbraw/zinc/35/12/93/296351293.db2.gz FJNSMHAFYHESSV-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602670834 399513582 /nfs/dbraw/zinc/51/35/82/399513582.db2.gz QRWSAXNZDYWSHD-AWEZNQCLSA-N 1 0 300.362 2.708 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347413337 285041642 /nfs/dbraw/zinc/04/16/42/285041642.db2.gz UBMQHFVSTMQYGQ-WCQYABFASA-N 1 0 315.377 2.679 20 5 DFBDRO CC[C@H](C)[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)OC ZINC000602675528 399515507 /nfs/dbraw/zinc/51/55/07/399515507.db2.gz UEVZOWFLUNXZFF-HZMBPMFUSA-N 1 0 307.350 2.887 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+]1CCCC1 ZINC000119975361 195072755 /nfs/dbraw/zinc/07/27/55/195072755.db2.gz FBXWLFBZASTMCC-UHFFFAOYSA-N 1 0 320.393 2.771 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000120013577 195080261 /nfs/dbraw/zinc/08/02/61/195080261.db2.gz NZIQANGFYCVARV-OLZOCXBDSA-N 1 0 320.393 2.816 20 5 DFBDRO C[C@H](Cc1cccc(F)c1)[N@H+](C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602686804 399520355 /nfs/dbraw/zinc/52/03/55/399520355.db2.gz FCAPYWOOERCTHH-LLVKDONJSA-N 1 0 306.341 2.530 20 5 DFBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602691717 399522846 /nfs/dbraw/zinc/52/28/46/399522846.db2.gz QSTOPRZJZMCYHM-KLPPZKSPSA-N 1 0 305.334 2.782 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)O1 ZINC000602690822 399521965 /nfs/dbraw/zinc/52/19/65/399521965.db2.gz PJNSKQAETVCSFW-VWYCJHECSA-N 1 0 305.334 2.639 20 5 DFBDRO COc1cc(NCC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])cc1F ZINC000302159270 533028549 /nfs/dbraw/zinc/02/85/49/533028549.db2.gz ORYIVAFBHFQRFL-UHFFFAOYSA-N 1 0 309.341 2.806 20 5 DFBDRO COc1cc(NCCC[NH2+]Cc2cccnc2)ccc1[N+](=O)[O-] ZINC000320842159 533028745 /nfs/dbraw/zinc/02/87/45/533028745.db2.gz OQOJQWBHBHRZEB-UHFFFAOYSA-N 1 0 316.361 2.590 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270144498 208203418 /nfs/dbraw/zinc/20/34/18/208203418.db2.gz QEXIJMKQIGWGKF-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)cn1 ZINC000602704336 399530117 /nfs/dbraw/zinc/53/01/17/399530117.db2.gz VPCIXMGMFXNHJU-APHBMKBZSA-N 1 0 316.405 2.737 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270144495 208204067 /nfs/dbraw/zinc/20/40/67/208204067.db2.gz QEXIJMKQIGWGKF-DOMZBBRYSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248788794 285085245 /nfs/dbraw/zinc/08/52/45/285085245.db2.gz ZVCIYZDYGGXKPW-NSHDSACASA-N 1 0 315.295 2.898 20 5 DFBDRO C[C@@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000273120827 210498409 /nfs/dbraw/zinc/49/84/09/210498409.db2.gz ZKSMNROHPFUHHO-JKSUJKDBSA-N 1 0 306.362 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC[C@@H]3CCCOC3)nc2c1 ZINC000602720953 399538787 /nfs/dbraw/zinc/53/87/87/399538787.db2.gz MVVDMMNVZMZICY-NSHDSACASA-N 1 0 305.334 2.642 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCO[C@H]2c2ccncc2)cc1 ZINC000602727912 399542487 /nfs/dbraw/zinc/54/24/87/399542487.db2.gz YFMOIQOOILSNTI-SJORKVTESA-N 1 0 313.357 2.652 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])c1cnccc1N ZINC000423041567 296370939 /nfs/dbraw/zinc/37/09/39/296370939.db2.gz JMTIDUPWFSQIEP-SNVBAGLBSA-N 1 0 320.780 2.949 20 5 DFBDRO C[C@](CO)([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000602732504 399545401 /nfs/dbraw/zinc/54/54/01/399545401.db2.gz QRUPFAFRXZVGGC-VWPFQQQWSA-N 1 0 304.390 2.828 20 5 DFBDRO C[C@@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000423082734 296376211 /nfs/dbraw/zinc/37/62/11/296376211.db2.gz FVSGLVKZEJSEON-NOZJJQNGSA-N 1 0 317.311 2.844 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000159000483 197318121 /nfs/dbraw/zinc/31/81/21/197318121.db2.gz JJIQXOCCBXXZHE-HUUCEWRRSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000347668144 285122573 /nfs/dbraw/zinc/12/25/73/285122573.db2.gz VBCMZVPKNGCXTB-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO CN(Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[NH+]2CCC1CC2 ZINC000602752428 399556203 /nfs/dbraw/zinc/55/62/03/399556203.db2.gz PWTUTLAWPRJCAE-HNNXBMFYSA-N 1 0 309.797 2.774 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090210 296376992 /nfs/dbraw/zinc/37/69/92/296376992.db2.gz UWYMRLVBGGAFDR-VXGBXAGGSA-N 1 0 303.284 2.583 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000171939206 285126337 /nfs/dbraw/zinc/12/63/37/285126337.db2.gz YOZQTPWQKXWOFH-LLVKDONJSA-N 1 0 315.295 2.898 20 5 DFBDRO Cc1c(NC(=O)NCC[N@@H+]2CCCC2(C)C)cccc1[N+](=O)[O-] ZINC000602762120 399559898 /nfs/dbraw/zinc/55/98/98/399559898.db2.gz IILDYQWEIJOYJL-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506967 219026344 /nfs/dbraw/zinc/02/63/44/219026344.db2.gz ROAOTEDUWYCKKV-QWRGUYRKSA-N 1 0 311.332 2.542 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N1CC[C@@H]([NH+]3CCCCC3)C1)CCN2 ZINC000278343050 285146313 /nfs/dbraw/zinc/14/63/13/285146313.db2.gz JDFLMTPPBCAGRZ-CYBMUJFWSA-N 1 0 316.405 2.627 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000288750381 220390547 /nfs/dbraw/zinc/39/05/47/220390547.db2.gz GKWQRDRSCCWCBB-JSGCOSHPSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[N@H+](CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])CC1CC1 ZINC000157868755 197222384 /nfs/dbraw/zinc/22/23/84/197222384.db2.gz JUTPPLNSUGRLTF-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000301200795 285165769 /nfs/dbraw/zinc/16/57/69/285165769.db2.gz QDZKUQMWRFFRLN-CQSZACIVSA-N 1 0 304.394 2.835 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCCSC2)n1 ZINC000331862042 285169161 /nfs/dbraw/zinc/16/91/61/285169161.db2.gz FSPWBXZJXGVGLV-YNEHKIRRSA-N 1 0 310.423 2.760 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000602788864 399574194 /nfs/dbraw/zinc/57/41/94/399574194.db2.gz SHCMKJBPOCLIOS-CQSZACIVSA-N 1 0 318.352 2.728 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCCSC2)n1 ZINC000331862040 285168336 /nfs/dbraw/zinc/16/83/36/285168336.db2.gz FSPWBXZJXGVGLV-RWMBFGLXSA-N 1 0 310.423 2.760 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000602808650 399583715 /nfs/dbraw/zinc/58/37/15/399583715.db2.gz NIJSDXDOGUXBSP-WFASDCNBSA-N 1 0 315.377 2.578 20 5 DFBDRO C[C@@H]([NH2+]Cc1cn(C)nc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000602807143 399583820 /nfs/dbraw/zinc/58/38/20/399583820.db2.gz SJQHLKRYFOXHEZ-GFCCVEGCSA-N 1 0 302.378 2.784 20 5 DFBDRO Cc1cnc([C@@H]([NH2+]CCn2c(C)ncc2[N+](=O)[O-])C2CC2)s1 ZINC000602809467 399584758 /nfs/dbraw/zinc/58/47/58/399584758.db2.gz IWHUUKLJFBXZEZ-ZDUSSCGKSA-N 1 0 321.406 2.606 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)c([N+](=O)[O-])n1 ZINC000602818638 399587318 /nfs/dbraw/zinc/58/73/18/399587318.db2.gz VZGMEFLSSKKFBN-HOCLYGCPSA-N 1 0 314.389 2.829 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000156418952 197112152 /nfs/dbraw/zinc/11/21/52/197112152.db2.gz XBNZOEMUKNPRIV-CMPLNLGQSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1n[nH]cc1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000271549639 209003137 /nfs/dbraw/zinc/00/31/37/209003137.db2.gz VPLMLFQKUDHUMK-OAHLLOKOSA-N 1 0 300.362 2.737 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1ccccc1F ZINC000602842535 399598538 /nfs/dbraw/zinc/59/85/38/399598538.db2.gz VNIYNCJSSYPXEA-UHFFFAOYSA-N 1 0 306.341 2.764 20 5 DFBDRO COC[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000278609055 285222084 /nfs/dbraw/zinc/22/20/84/285222084.db2.gz BBHKFHFMELNOGO-DOMZBBRYSA-N 1 0 308.378 2.568 20 5 DFBDRO C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271554647 209007404 /nfs/dbraw/zinc/00/74/04/209007404.db2.gz SOPQKFANDUSHRG-LRDDRELGSA-N 1 0 318.348 2.988 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000602891320 399617111 /nfs/dbraw/zinc/61/71/11/399617111.db2.gz XDTKBRFQEOKTTP-GFCCVEGCSA-N 1 0 317.311 2.750 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cccnc2)cc1[N+](=O)[O-] ZINC000271571940 209023547 /nfs/dbraw/zinc/02/35/47/209023547.db2.gz YYANUZUNNJQBSD-BLLLJJGKSA-N 1 0 301.346 2.682 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577456 209027502 /nfs/dbraw/zinc/02/75/02/209027502.db2.gz RNRFAFNLIMMTBY-UMVBOHGHSA-N 1 0 308.378 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2ncccn2)cc1 ZINC000602900455 399619938 /nfs/dbraw/zinc/61/99/38/399619938.db2.gz UYUYOFPYIHWCBH-HNNXBMFYSA-N 1 0 314.345 2.601 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000602907312 399622277 /nfs/dbraw/zinc/62/22/77/399622277.db2.gz WBBKONFVBZDINN-HNNXBMFYSA-N 1 0 314.389 2.762 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332527784 533221303 /nfs/dbraw/zinc/22/13/03/533221303.db2.gz TUNZFSDBGSWHNH-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1nnc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)s1 ZINC000289743072 221196090 /nfs/dbraw/zinc/19/60/90/221196090.db2.gz KSRVCRYYBZPUEP-CQSZACIVSA-N 1 0 318.402 2.964 20 5 DFBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000294915860 224308649 /nfs/dbraw/zinc/30/86/49/224308649.db2.gz YJNNOLCEVKJZSU-QGZVFWFLSA-N 1 0 300.358 2.942 20 5 DFBDRO O=C(CC[NH+]1CCC(CCF)CC1)Nc1ccccc1[N+](=O)[O-] ZINC000602946931 399635500 /nfs/dbraw/zinc/63/55/00/399635500.db2.gz FHZXINFARFAHIM-UHFFFAOYSA-N 1 0 323.368 2.995 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000289979361 221357123 /nfs/dbraw/zinc/35/71/23/221357123.db2.gz ZPPJJFCLRMOFDU-UHFFFAOYSA-N 1 0 320.393 2.715 20 5 DFBDRO CC1(F)CC[NH+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1 ZINC000602992882 399653160 /nfs/dbraw/zinc/65/31/60/399653160.db2.gz IRHBZTMEIGJWKX-UHFFFAOYSA-N 1 0 309.341 2.747 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)c1 ZINC000602997261 399654669 /nfs/dbraw/zinc/65/46/69/399654669.db2.gz GQCRKRHBGZNKSK-ULQDDVLXSA-N 1 0 320.389 2.599 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000602997263 399655024 /nfs/dbraw/zinc/65/50/24/399655024.db2.gz GROANOISUPWCGJ-DZKIICNBSA-N 1 0 320.389 2.729 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000603054409 399667222 /nfs/dbraw/zinc/66/72/22/399667222.db2.gz JLCIMKCENSFSHA-NSHDSACASA-N 1 0 307.394 2.808 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987788 399650957 /nfs/dbraw/zinc/65/09/57/399650957.db2.gz RFMOGOLLKPFVFE-XHVZSJERSA-N 1 0 318.295 2.758 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423728757 296442302 /nfs/dbraw/zinc/44/23/02/296442302.db2.gz UHCRDLYGZQFXGJ-XJKSGUPXSA-N 1 0 317.389 2.603 20 5 DFBDRO CCC[C@H]([NH3+])c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248377 399722267 /nfs/dbraw/zinc/72/22/67/399722267.db2.gz CGNIDEMOWIJNBF-FZMZJTMJSA-N 1 0 303.366 2.904 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC1CC[NH+](C)CC1 ZINC000296590473 533311730 /nfs/dbraw/zinc/31/17/30/533311730.db2.gz RYCOYALMOZLZPJ-UHFFFAOYSA-N 1 0 316.361 2.658 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295121919 533592134 /nfs/dbraw/zinc/59/21/34/533592134.db2.gz WWYUTHRKSITVSD-LLVKDONJSA-N 1 0 317.393 2.638 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)cc1[N+](=O)[O-] ZINC000293022576 533558278 /nfs/dbraw/zinc/55/82/78/533558278.db2.gz KQWMDNUTXQCYBG-QGZVFWFLSA-N 1 0 322.405 2.834 20 5 DFBDRO O=C(NC[C@@H]1CC[NH2+]C1)c1cc2ccccc2c2cccnc12 ZINC000272976717 130079086 /nfs/dbraw/zinc/07/90/86/130079086.db2.gz CJXYODHMNAREAQ-CYBMUJFWSA-N 1 0 305.381 2.727 20 5 DFBDRO Cc1cnc(N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000603415137 399771281 /nfs/dbraw/zinc/77/12/81/399771281.db2.gz GQROSFQCAQOYNU-HOTGVXAUSA-N 1 0 324.384 2.761 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1O ZINC000284088680 131047960 /nfs/dbraw/zinc/04/79/60/131047960.db2.gz MEMJYXKLPJAYLB-SNVBAGLBSA-N 1 0 317.345 2.742 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]1C ZINC000195314960 542864731 /nfs/dbraw/zinc/86/47/31/542864731.db2.gz GFTSXGXMUBQXQB-JTNHKYCSSA-N 1 0 305.378 2.608 20 5 DFBDRO CSc1ccc(C(=O)N[C@H]2CC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000128503870 195969528 /nfs/dbraw/zinc/96/95/28/195969528.db2.gz KGODEPJIJQBMBX-NWDGAFQWSA-N 1 0 323.418 2.529 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348534749 285591959 /nfs/dbraw/zinc/59/19/59/285591959.db2.gz PVTULQGTIIBXRI-VXGBXAGGSA-N 1 0 316.304 2.853 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1 ZINC000604303566 399835534 /nfs/dbraw/zinc/83/55/34/399835534.db2.gz DYHDUFWTNAIUAA-MJBXVCDLSA-N 1 0 304.394 2.831 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424360389 296504803 /nfs/dbraw/zinc/50/48/03/296504803.db2.gz WELMVPFOMVTEML-FMSGJZPZSA-N 1 0 303.362 2.700 20 5 DFBDRO C[C@H](CNc1ncccc1[N+](=O)[O-])[N@H+](C)Cc1ccccc1 ZINC000301292388 543045507 /nfs/dbraw/zinc/04/55/07/543045507.db2.gz XBYARAIUAPLJEH-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301294547 543046180 /nfs/dbraw/zinc/04/61/80/543046180.db2.gz WQMHDBUNPXPQLC-CYBMUJFWSA-N 1 0 305.378 2.508 20 5 DFBDRO CCC(CC)[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000604434828 399846765 /nfs/dbraw/zinc/84/67/65/399846765.db2.gz XNWYBRPVMILHAB-MRXNPFEDSA-N 1 0 322.405 2.988 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000349247533 285815993 /nfs/dbraw/zinc/81/59/93/285815993.db2.gz PAIVMJVVFBRYMH-OCCSQVGLSA-N 1 0 319.405 2.881 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000353930193 146834826 /nfs/dbraw/zinc/83/48/26/146834826.db2.gz KZSGSJAZQYTIKU-ZDUSSCGKSA-N 1 0 320.393 2.763 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC(F)F ZINC000349261936 285820294 /nfs/dbraw/zinc/82/02/94/285820294.db2.gz AQYZGYMOSJSMES-XFFZJAGNSA-N 1 0 300.305 2.869 20 5 DFBDRO CCN(CCC[NH+](C)C)c1nccc2cc([N+](=O)[O-])ccc21 ZINC000425256039 296562052 /nfs/dbraw/zinc/56/20/52/296562052.db2.gz OEAPTKNZFYLTHZ-UHFFFAOYSA-N 1 0 302.378 2.921 20 5 DFBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1csc([N+](=O)[O-])c1 ZINC000167363903 145241192 /nfs/dbraw/zinc/24/11/92/145241192.db2.gz BZRJXXIOGGCBSD-UHFFFAOYSA-N 1 0 303.343 2.554 20 5 DFBDRO COCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000171406255 145263833 /nfs/dbraw/zinc/26/38/33/145263833.db2.gz NXRQMHPFFDEUAJ-UHFFFAOYSA-N 1 0 321.299 2.604 20 5 DFBDRO C[C@@H]1CCC[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)[C@@H]1C ZINC000172855584 145319814 /nfs/dbraw/zinc/31/98/14/145319814.db2.gz KYWVXPOMOLTIQR-CHWSQXEVSA-N 1 0 317.389 2.604 20 5 DFBDRO COCCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174244209 145373055 /nfs/dbraw/zinc/37/30/55/145373055.db2.gz GBJBJQJKCFBTMF-UHFFFAOYSA-N 1 0 308.378 2.865 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868626 297091730 /nfs/dbraw/zinc/09/17/30/297091730.db2.gz GUTKGXYQPYWZIY-PWSUYJOCSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227694463 146007486 /nfs/dbraw/zinc/00/74/86/146007486.db2.gz VCWYVGRVQLRZIY-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000246035134 146115903 /nfs/dbraw/zinc/11/59/03/146115903.db2.gz PZZGYHZADNCUNS-BBRMVZONSA-N 1 0 317.389 2.822 20 5 DFBDRO COCCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255383148 146232904 /nfs/dbraw/zinc/23/29/04/146232904.db2.gz JNMCVRUMFQTZIL-XQRVVYSFSA-N 1 0 320.389 2.735 20 5 DFBDRO [NH3+]CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000261550470 146240048 /nfs/dbraw/zinc/24/00/48/146240048.db2.gz PMAFHNDUYKKEBI-UHFFFAOYSA-N 1 0 303.337 2.695 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)cc1 ZINC000261623573 146249794 /nfs/dbraw/zinc/24/97/94/146249794.db2.gz DEJRBUYXWDHBGI-QGZVFWFLSA-N 1 0 315.348 2.880 20 5 DFBDRO [NH3+]C1(c2noc(-c3cc(F)cc([N+](=O)[O-])c3)n2)CCCCC1 ZINC000261824845 146283371 /nfs/dbraw/zinc/28/33/71/146283371.db2.gz AWVUOLKUIBMWNO-UHFFFAOYSA-N 1 0 306.297 2.902 20 5 DFBDRO Cc1cc(NCC(C)(C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000261823523 146283393 /nfs/dbraw/zinc/28/33/93/146283393.db2.gz UUQJELRMPHRUKZ-UHFFFAOYSA-N 1 0 301.350 2.509 20 5 DFBDRO [NH3+]C1(c2noc(-c3cc4cc([N+](=O)[O-])ccc4o3)n2)CCC1 ZINC000261835100 146285867 /nfs/dbraw/zinc/28/58/67/146285867.db2.gz RMFLHWXXUHHBIW-UHFFFAOYSA-N 1 0 300.274 2.729 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c2ccncc21 ZINC000261858106 146290411 /nfs/dbraw/zinc/29/04/11/146290411.db2.gz FLCNSMMFRDMKSM-GFCCVEGCSA-N 1 0 300.362 2.945 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCC[NH2+]C1 ZINC000262037687 146325940 /nfs/dbraw/zinc/32/59/40/146325940.db2.gz ZWJYCBNLQVUDAU-VXGBXAGGSA-N 1 0 300.362 2.943 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000262137810 146337893 /nfs/dbraw/zinc/33/78/93/146337893.db2.gz YUQMIPDCXOMTDW-ABAIWWIYSA-N 1 0 301.346 2.634 20 5 DFBDRO C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000262435327 146359114 /nfs/dbraw/zinc/35/91/14/146359114.db2.gz GHXSQKZVAWLDSX-FZMZJTMJSA-N 1 0 305.378 2.550 20 5 DFBDRO CCCN(c1ccc([N+](=O)[O-])c2cnccc21)[C@H]1CC[NH2+]C1 ZINC000262566285 146372892 /nfs/dbraw/zinc/37/28/92/146372892.db2.gz WSAKTVSPKPFFBL-LBPRGKRZSA-N 1 0 300.362 2.721 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC[NH2+]1 ZINC000262644645 146379271 /nfs/dbraw/zinc/37/92/71/146379271.db2.gz ITKCSTKKULSWEX-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000354372306 147012069 /nfs/dbraw/zinc/01/20/69/147012069.db2.gz MKLZVIKHGDBJOG-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])s2)C[C@H]1C ZINC000354414909 147028828 /nfs/dbraw/zinc/02/88/28/147028828.db2.gz ZEZIFKQVDJAGMQ-GHMZBOCLSA-N 1 0 311.407 2.601 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C ZINC000354505484 147061212 /nfs/dbraw/zinc/06/12/12/147061212.db2.gz UAJRRAAKOKUUGW-ZDUSSCGKSA-N 1 0 321.421 2.980 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000355257208 147241602 /nfs/dbraw/zinc/24/16/02/147241602.db2.gz WGQXHZKMDOKKHH-MRXNPFEDSA-N 1 0 319.405 2.979 20 5 DFBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC(O)C1 ZINC000355368023 147286426 /nfs/dbraw/zinc/28/64/26/147286426.db2.gz JSBNGUANOJHOLY-UHFFFAOYSA-N 1 0 302.330 2.810 20 5 DFBDRO CC(C)[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000438483137 297094724 /nfs/dbraw/zinc/09/47/24/297094724.db2.gz CGBGFZNWWXCYNG-CYBMUJFWSA-N 1 0 305.378 2.536 20 5 DFBDRO COC(=O)COc1ccc(C[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000355577332 147369634 /nfs/dbraw/zinc/36/96/34/147369634.db2.gz DHYXSEBLYHUDMP-UHFFFAOYSA-N 1 0 322.361 2.523 20 5 DFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000355598737 147379389 /nfs/dbraw/zinc/37/93/89/147379389.db2.gz AZTOBIUGKVNNTL-GFCCVEGCSA-N 1 0 322.361 2.521 20 5 DFBDRO CCC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CC1 ZINC000355608011 147383416 /nfs/dbraw/zinc/38/34/16/147383416.db2.gz OQZYPKFOPOAEGW-UHFFFAOYSA-N 1 0 322.361 2.521 20 5 DFBDRO CCCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000357555500 148035993 /nfs/dbraw/zinc/03/59/93/148035993.db2.gz URDMWLCTNGFFEV-UHFFFAOYSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1cc(N2C[C@H](C)[C@@H](CO)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000357658035 148073233 /nfs/dbraw/zinc/07/32/33/148073233.db2.gz OKUBXBBKOIHHEN-CMPLNLGQSA-N 1 0 301.346 2.516 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000357666919 148076830 /nfs/dbraw/zinc/07/68/30/148076830.db2.gz RTUVGAAVDNKZAS-AAEUAGOBSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000357684954 148084414 /nfs/dbraw/zinc/08/44/14/148084414.db2.gz YAQDCSAHDLBINV-PWSUYJOCSA-N 1 0 306.366 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3sccc3C2)cn1 ZINC000350304206 286026253 /nfs/dbraw/zinc/02/62/53/286026253.db2.gz YHUAFIGOLHIANJ-UHFFFAOYSA-N 1 0 304.375 2.522 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000358318729 148328028 /nfs/dbraw/zinc/32/80/28/148328028.db2.gz NDWNSBSNVHCMGH-ZFWWWQNUSA-N 1 0 320.389 2.974 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358475214 148371100 /nfs/dbraw/zinc/37/11/00/148371100.db2.gz UVVYBKZCKPOMRP-UHFFFAOYSA-N 1 0 318.377 2.677 20 5 DFBDRO CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000359023985 148521989 /nfs/dbraw/zinc/52/19/89/148521989.db2.gz AIHSLEHKMJAMBS-ZFWWWQNUSA-N 1 0 319.405 2.812 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000359413912 148655586 /nfs/dbraw/zinc/65/55/86/148655586.db2.gz HUDXLAJGJVLSHW-CZUORRHYSA-N 1 0 322.405 2.731 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1 ZINC000359476321 148669844 /nfs/dbraw/zinc/66/98/44/148669844.db2.gz UHJXJJIQTKVELX-OKILXGFUSA-N 1 0 313.357 2.506 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)cc1[N+](=O)[O-] ZINC000153200695 292196027 /nfs/dbraw/zinc/19/60/27/292196027.db2.gz WFORSQMSLHWYEO-DZGCQCFKSA-N 1 0 321.421 2.522 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2cc([N+](=O)[O-])ccc2C(C)=O)C1 ZINC000360987384 149000365 /nfs/dbraw/zinc/00/03/65/149000365.db2.gz ZIDVNVHDVRGTNW-AWEZNQCLSA-N 1 0 305.378 2.718 20 5 DFBDRO CC1CC[NH+](C2CCC(Nc3ccncc3[N+](=O)[O-])CC2)CC1 ZINC000361058386 149019240 /nfs/dbraw/zinc/01/92/40/149019240.db2.gz CNVANHZUOJVRTH-UHFFFAOYSA-N 1 0 318.421 2.867 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)c2cncc(F)c2)ccc1[N+](=O)[O-] ZINC000361122774 149033920 /nfs/dbraw/zinc/03/39/20/149033920.db2.gz ZJKBPHWOKDVAFB-SNVBAGLBSA-N 1 0 305.309 2.988 20 5 DFBDRO C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361294672 149077253 /nfs/dbraw/zinc/07/72/53/149077253.db2.gz FYXRPJCJJNCZLD-LLVKDONJSA-N 1 0 313.348 2.975 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361437948 149116058 /nfs/dbraw/zinc/11/60/58/149116058.db2.gz RUDALKJVNPXYFT-ZFWWWQNUSA-N 1 0 320.389 2.926 20 5 DFBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](CC(N)=O)c1ccccc1 ZINC000361469534 149124687 /nfs/dbraw/zinc/12/46/87/149124687.db2.gz MUGUDVQTRDMZKE-INIZCTEOSA-N 1 0 313.357 2.643 20 5 DFBDRO C[C@](CO)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000361731672 149203493 /nfs/dbraw/zinc/20/34/93/149203493.db2.gz HGJHATFXGSIFBU-GOSISDBHSA-N 1 0 314.385 2.926 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000361766331 149212609 /nfs/dbraw/zinc/21/26/09/149212609.db2.gz RXKOVDSVWSRQQQ-COXVUDFISA-N 1 0 317.433 2.988 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCN1C ZINC000361766332 149212934 /nfs/dbraw/zinc/21/29/34/149212934.db2.gz RXKOVDSVWSRQQQ-KBRIMQKVSA-N 1 0 317.433 2.988 20 5 DFBDRO C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc2ncsc2c1 ZINC000362564678 149309360 /nfs/dbraw/zinc/30/93/60/149309360.db2.gz NCQZHTWFDUNHFV-JTQLQIEISA-N 1 0 317.374 2.752 20 5 DFBDRO CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000493113294 299717872 /nfs/dbraw/zinc/71/78/72/299717872.db2.gz FUWDRESPXBQUTD-HVHJFMEUSA-N 1 0 317.389 2.599 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000367178104 149558157 /nfs/dbraw/zinc/55/81/57/149558157.db2.gz GUIDJLOQLIBQST-BJJXKVORSA-N 1 0 317.389 2.707 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351502302 286137714 /nfs/dbraw/zinc/13/77/14/286137714.db2.gz ZVJNFDPLHKCYEV-MAZHCROVSA-N 1 0 319.405 2.551 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351502303 286137719 /nfs/dbraw/zinc/13/77/19/286137719.db2.gz ZVJNFDPLHKCYEV-RCBQFDQVSA-N 1 0 319.405 2.551 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000371331259 150026082 /nfs/dbraw/zinc/02/60/82/150026082.db2.gz GFARFZCGEBRMIC-TVKHYIBRSA-N 1 0 302.374 2.966 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000371480708 150054294 /nfs/dbraw/zinc/05/42/94/150054294.db2.gz QEHMRZLUCUGPEN-OCCSQVGLSA-N 1 0 300.362 2.765 20 5 DFBDRO O=C(Nc1cccc2c1C[N@@H+](C1CC1)C2)c1ccc([N+](=O)[O-])o1 ZINC000371555086 150064640 /nfs/dbraw/zinc/06/46/40/150064640.db2.gz VBHBXVHSKRCSQD-UHFFFAOYSA-N 1 0 313.313 2.918 20 5 DFBDRO C[C@@H](CC(N)=O)[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000493155062 299725847 /nfs/dbraw/zinc/72/58/47/299725847.db2.gz VICXJYBIKMZDLE-SJCJKPOMSA-N 1 0 313.357 2.538 20 5 DFBDRO CC[C@](C)(O)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000372460071 150175578 /nfs/dbraw/zinc/17/55/78/150175578.db2.gz MDRHVWDHNCAZDZ-KRWDZBQOSA-N 1 0 319.405 2.736 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000351604772 286167028 /nfs/dbraw/zinc/16/70/28/286167028.db2.gz WKUCMPBJEAUPHP-ZDUSSCGKSA-N 1 0 306.362 2.713 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000372977082 150211053 /nfs/dbraw/zinc/21/10/53/150211053.db2.gz IXYXFGAXZOPWQQ-GOEBONIOSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000373774821 150256306 /nfs/dbraw/zinc/25/63/06/150256306.db2.gz YTXQSOXAQQWOAL-CYBMUJFWSA-N 1 0 316.361 2.706 20 5 DFBDRO CCOc1cc(C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351633766 286176410 /nfs/dbraw/zinc/17/64/10/286176410.db2.gz LYIXVWXQCRNDOB-HIFRSBDPSA-N 1 0 322.405 2.976 20 5 DFBDRO COc1cc(N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000374153506 150313751 /nfs/dbraw/zinc/31/37/51/150313751.db2.gz JSKHNWBBJFRWGS-KBPBESRZSA-N 1 0 305.378 2.666 20 5 DFBDRO CC1=C(c2ccco2)C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000374529364 150374557 /nfs/dbraw/zinc/37/45/57/150374557.db2.gz IKSNMFMDOXKNQM-UHFFFAOYSA-N 1 0 302.334 2.564 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000375044426 150390630 /nfs/dbraw/zinc/39/06/30/150390630.db2.gz XIXWRXJNFROXNL-KRWDZBQOSA-N 1 0 316.332 2.827 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000351716968 286201404 /nfs/dbraw/zinc/20/14/04/286201404.db2.gz BZDRBMYDCZOKOX-QWRGUYRKSA-N 1 0 313.348 2.788 20 5 DFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352012512 286269472 /nfs/dbraw/zinc/26/94/72/286269472.db2.gz FSPWFKIZLQMRCX-NSHDSACASA-N 1 0 311.332 2.542 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCn3ccnc3C2)cccc1[N+](=O)[O-] ZINC000427839251 296669910 /nfs/dbraw/zinc/66/99/10/296669910.db2.gz DHDJXIANUGFWSR-QWHCGFSZSA-N 1 0 300.362 2.765 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000352281143 286335574 /nfs/dbraw/zinc/33/55/74/286335574.db2.gz SUVMXMJNNBTXML-HNNXBMFYSA-N 1 0 319.405 2.818 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352367985 286355279 /nfs/dbraw/zinc/35/52/79/286355279.db2.gz RVXFJUUHCFIEKC-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)CC1([NH+](C)C)CCC1 ZINC000352414135 286367399 /nfs/dbraw/zinc/36/73/99/286367399.db2.gz SHZHETPAKHOALG-UHFFFAOYSA-N 1 0 313.348 2.789 20 5 DFBDRO Cc1sc(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC000429498874 296747207 /nfs/dbraw/zinc/74/72/07/296747207.db2.gz UVLCRZCPHPHAIZ-VIFPVBQESA-N 1 0 319.386 2.914 20 5 DFBDRO CS[C@H]1CCCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246353162 158087440 /nfs/dbraw/zinc/08/74/40/158087440.db2.gz WJQVJFXOXDEXEX-LSDHHAIUSA-N 1 0 310.419 2.846 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247029240 158113861 /nfs/dbraw/zinc/11/38/61/158113861.db2.gz DLKIFTVUOXZLHM-CZUORRHYSA-N 1 0 300.362 2.874 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000247225318 158123383 /nfs/dbraw/zinc/12/33/83/158123383.db2.gz XESWIEDZDWTJCG-GWCFXTLKSA-N 1 0 323.780 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)c1 ZINC000248440174 158175956 /nfs/dbraw/zinc/17/59/56/158175956.db2.gz UOCLELUEHJFVSU-AWEZNQCLSA-N 1 0 309.797 2.918 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000248563323 158184762 /nfs/dbraw/zinc/18/47/62/158184762.db2.gz NVCQAIHODSWGMZ-QPSCCSFWSA-N 1 0 322.405 2.749 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000353903859 158232492 /nfs/dbraw/zinc/23/24/92/158232492.db2.gz KIJUKIDUZVXCOX-FZMZJTMJSA-N 1 0 320.393 2.761 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1[N+](=O)[O-] ZINC000355128006 158279423 /nfs/dbraw/zinc/27/94/23/158279423.db2.gz HCYOOMXNZPDRRR-KGLIPLIRSA-N 1 0 306.362 2.604 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000358368701 158372106 /nfs/dbraw/zinc/37/21/06/158372106.db2.gz OYODFFCWMOBIID-AWEZNQCLSA-N 1 0 314.389 2.847 20 5 DFBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000120808920 287214271 /nfs/dbraw/zinc/21/42/71/287214271.db2.gz LPPPUYCPWONHKI-TZMCWYRMSA-N 1 0 307.394 2.561 20 5 DFBDRO CC1(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000432781616 296887211 /nfs/dbraw/zinc/88/72/11/296887211.db2.gz PETLQQBVLLGNMZ-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1ncc([N+](=O)[O-])cc1Br ZINC000130564094 196091977 /nfs/dbraw/zinc/09/19/77/196091977.db2.gz JWPPTVUZXHDOIJ-QMMMGPOBSA-N 1 0 317.187 2.682 20 5 DFBDRO Cn1cccc1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130744449 196106069 /nfs/dbraw/zinc/10/60/69/196106069.db2.gz MUUWIVZNQGWQNS-UHFFFAOYSA-N 1 0 315.373 2.977 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H](CO)Cc1ccccc1 ZINC000131548593 196178682 /nfs/dbraw/zinc/17/86/82/196178682.db2.gz SHLXEBGCGMSHNG-BHMZLHOFSA-N 1 0 312.369 2.801 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC2(CCCCC2)C1 ZINC000131969861 196215378 /nfs/dbraw/zinc/21/53/78/196215378.db2.gz LNGMLGYYLWADAI-UHFFFAOYSA-N 1 0 319.405 2.803 20 5 DFBDRO CCC[C@@H](C(=O)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[NH+](C)C ZINC000132926629 196297376 /nfs/dbraw/zinc/29/73/76/196297376.db2.gz AXDOMGQMHGMAIZ-JSGCOSHPSA-N 1 0 307.394 2.811 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)cccc1[N+](=O)[O-] ZINC000134132824 196364615 /nfs/dbraw/zinc/36/46/15/196364615.db2.gz GLNFXNCBNRTDIH-QLFBSQMISA-N 1 0 321.421 2.663 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000134433232 196390917 /nfs/dbraw/zinc/39/09/17/196390917.db2.gz MIRGZDSTIYRZIW-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cn1 ZINC000296094751 225530996 /nfs/dbraw/zinc/53/09/96/225530996.db2.gz YJCVIAMOQFEQBV-QWRGUYRKSA-N 1 0 303.366 2.805 20 5 DFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CC[N@@H+](C2CC2)C1 ZINC000296673769 226109724 /nfs/dbraw/zinc/10/97/24/226109724.db2.gz HGRSHWZPVYTEMQ-LBPRGKRZSA-N 1 0 307.369 2.650 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000291019235 222075937 /nfs/dbraw/zinc/07/59/37/222075937.db2.gz GIZDLNLDKZVQAK-INIZCTEOSA-N 1 0 308.378 2.898 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCCC[NH+]1CCCCC1 ZINC000299602509 229250488 /nfs/dbraw/zinc/25/04/88/229250488.db2.gz HKKLVOQIOTZAQF-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cc(CO)ccc2[N+](=O)[O-])C1 ZINC000302022957 230042123 /nfs/dbraw/zinc/04/21/23/230042123.db2.gz GLWXGYLOJQGDGD-OKILXGFUSA-N 1 0 321.421 2.867 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000055406523 425893438 /nfs/dbraw/zinc/89/34/38/425893438.db2.gz QGNGAPLMHJYTQB-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000067237551 425909442 /nfs/dbraw/zinc/90/94/42/425909442.db2.gz SKBGESOJZCFLQR-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000067651426 425912029 /nfs/dbraw/zinc/91/20/29/425912029.db2.gz SLYRZXYIZFKZOX-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO CCCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000068442187 425917866 /nfs/dbraw/zinc/91/78/66/425917866.db2.gz WIBPYBTVQVCZJY-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO CC[N@H+](CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)C(C)C ZINC000102479530 425921091 /nfs/dbraw/zinc/92/10/91/425921091.db2.gz QOUFFIVSLFVRHS-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@H](C)CC1 ZINC000068837865 425921750 /nfs/dbraw/zinc/92/17/50/425921750.db2.gz JQSXISKWGHGIPZ-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO C[C@@H]1C[C@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124535793 425924692 /nfs/dbraw/zinc/92/46/92/425924692.db2.gz YTWOLZMEPBUNTQ-KHGFPJFYSA-N 1 0 317.389 2.549 20 5 DFBDRO CC(C)C[NH+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC(C)C ZINC000026648018 425812715 /nfs/dbraw/zinc/81/27/15/425812715.db2.gz FOEBQZSNSBHTHG-UHFFFAOYSA-N 1 0 307.394 2.808 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000026940428 425813628 /nfs/dbraw/zinc/81/36/28/425813628.db2.gz YAUODGHHNJWNPH-UHFFFAOYSA-N 1 0 321.377 2.805 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000037647635 425849012 /nfs/dbraw/zinc/84/90/12/425849012.db2.gz CFUOCBAKCGPOGJ-VIFPVBQESA-N 1 0 303.284 2.977 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000195511359 268135743 /nfs/dbraw/zinc/13/57/43/268135743.db2.gz NUKKPSAMTIKPIO-UHFFFAOYSA-N 1 0 310.423 2.754 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@H]1C ZINC000248368168 268165998 /nfs/dbraw/zinc/16/59/98/268165998.db2.gz UWDFGOFJVCOZNV-QWRGUYRKSA-N 1 0 302.334 2.875 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000269004512 268187633 /nfs/dbraw/zinc/18/76/33/268187633.db2.gz ZEAKEGZPAMPEQN-IAGOWNOFSA-N 1 0 319.405 2.775 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270692400 268201625 /nfs/dbraw/zinc/20/16/25/268201625.db2.gz GFAVNIQVIRBUPF-JSGCOSHPSA-N 1 0 323.780 2.605 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)NCc1ccccc1[N+](=O)[O-] ZINC000290722065 268282676 /nfs/dbraw/zinc/28/26/76/268282676.db2.gz POHANTZDZAURBS-CYBMUJFWSA-N 1 0 322.409 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000297126124 268309736 /nfs/dbraw/zinc/30/97/36/268309736.db2.gz MVCGFCPOILQMBO-OAHLLOKOSA-N 1 0 310.357 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000297126115 268309887 /nfs/dbraw/zinc/30/98/87/268309887.db2.gz MVCGFCPOILQMBO-HNNXBMFYSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000309916268 268336775 /nfs/dbraw/zinc/33/67/75/268336775.db2.gz UKDVRRWZBMSKLU-RYUDHWBXSA-N 1 0 323.393 2.986 20 5 DFBDRO CCC[NH+]1CCC(Nc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000320239154 268347969 /nfs/dbraw/zinc/34/79/69/268347969.db2.gz IFJDJRBYJDLXFQ-UHFFFAOYSA-N 1 0 321.406 2.886 20 5 DFBDRO CCCN(CC[NH+](C)C)C(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000104531417 425964324 /nfs/dbraw/zinc/96/43/24/425964324.db2.gz AIRUAFWJFHOEQZ-SOFGYWHQSA-N 1 0 323.368 2.547 20 5 DFBDRO CCC[N@@H+](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)CC1CC1 ZINC000072950258 426022510 /nfs/dbraw/zinc/02/25/10/426022510.db2.gz CWORFBMIMSMUKD-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000073101961 426023932 /nfs/dbraw/zinc/02/39/32/426023932.db2.gz MBQGBZQJSZFGIH-DOMZBBRYSA-N 1 0 317.389 2.848 20 5 DFBDRO CN(C/C=C/c1ccccc1[N+](=O)[O-])CC(=O)OC(C)(C)C ZINC000126915697 426042084 /nfs/dbraw/zinc/04/20/84/426042084.db2.gz BIRQVVRHRMCWAS-VQHVLOKHSA-N 1 0 306.362 2.882 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000161886228 426043337 /nfs/dbraw/zinc/04/33/37/426043337.db2.gz DXPQBIYYRCUAKK-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000161911936 426044536 /nfs/dbraw/zinc/04/45/36/426044536.db2.gz SUCCPFOOAGGUTE-CJNGLKHVSA-N 1 0 316.405 2.751 20 5 DFBDRO C[N@@H+](Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)CC1CCC1 ZINC000111296429 426044829 /nfs/dbraw/zinc/04/48/29/426044829.db2.gz WKXSRWZZQAHEHP-UHFFFAOYSA-N 1 0 302.334 2.877 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)c1ccc([N+](=O)[O-])s1)C(C)C ZINC000074335006 426046024 /nfs/dbraw/zinc/04/60/24/426046024.db2.gz TYVOKZQLBYWCAS-UHFFFAOYSA-N 1 0 313.423 2.895 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000112074050 426065096 /nfs/dbraw/zinc/06/50/96/426065096.db2.gz NAYKKAHQYQDPTR-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000072064211 426009211 /nfs/dbraw/zinc/00/92/11/426009211.db2.gz PVUVFUQWMPRSAV-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO CC(C)[NH2+]C1CCN(CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108368675 426014495 /nfs/dbraw/zinc/01/44/95/426014495.db2.gz NWZHDEKDPXXXFV-UHFFFAOYSA-N 1 0 321.421 2.826 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2C)[C@H](C)C1 ZINC000076489725 426113811 /nfs/dbraw/zinc/11/38/11/426113811.db2.gz FOABYYKUPCKHAF-CJNGLKHVSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000166460019 426126675 /nfs/dbraw/zinc/12/66/75/426126675.db2.gz JPDDLEACCBFEHN-FPMFFAJLSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000114458728 426135769 /nfs/dbraw/zinc/13/57/69/426135769.db2.gz SITFPXBHGVOCAT-DLBZAZTESA-N 1 0 322.405 2.989 20 5 DFBDRO CCC[NH+](CCC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000075634277 426079603 /nfs/dbraw/zinc/07/96/03/426079603.db2.gz CONBRPMHHQATLP-UHFFFAOYSA-N 1 0 305.378 2.606 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000112464613 426080122 /nfs/dbraw/zinc/08/01/22/426080122.db2.gz AJSVIVWBRFCLKU-UHFFFAOYSA-N 1 0 308.382 2.757 20 5 DFBDRO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCC1 ZINC000075633410 426080317 /nfs/dbraw/zinc/08/03/17/426080317.db2.gz GXETVIOGJDKODW-UHFFFAOYSA-N 1 0 305.378 2.847 20 5 DFBDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000170858364 426155283 /nfs/dbraw/zinc/15/52/83/426155283.db2.gz HMSUDMQLCNKGJP-LBPRGKRZSA-N 1 0 319.386 2.586 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000116127612 426179578 /nfs/dbraw/zinc/17/95/78/426179578.db2.gz IYFQOEBEWIVVGY-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO C[C@@H](C(=O)NCCc1ccc([N+](=O)[O-])cc1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000171269307 426180811 /nfs/dbraw/zinc/18/08/11/426180811.db2.gz FHBRXXSIFHDCCZ-IHRRRGAJSA-N 1 0 319.405 2.515 20 5 DFBDRO C[NH+](C)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000116128538 426180898 /nfs/dbraw/zinc/18/08/98/426180898.db2.gz BFBVFNHXCIOFKJ-CQSZACIVSA-N 1 0 307.394 2.691 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)cc1[N+](=O)[O-] ZINC000134083318 426184494 /nfs/dbraw/zinc/18/44/94/426184494.db2.gz LQZNPWZWNXHMGT-RRFJBIMHSA-N 1 0 321.421 2.663 20 5 DFBDRO Cc1c(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)cccc1[N+](=O)[O-] ZINC000116320860 426187480 /nfs/dbraw/zinc/18/74/80/426187480.db2.gz NHRRYINSMQDVHF-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCCC1 ZINC000079063609 426189496 /nfs/dbraw/zinc/18/94/96/426189496.db2.gz YVXAHJMNEVFREI-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000173809010 426248705 /nfs/dbraw/zinc/24/87/05/426248705.db2.gz HPBPNUNUDNTWFU-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO C[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000174364888 426253630 /nfs/dbraw/zinc/25/36/30/426253630.db2.gz NSVRANCCAWBBEI-NSHDSACASA-N 1 0 308.382 2.693 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1[N+](=O)[O-] ZINC000174345805 426254030 /nfs/dbraw/zinc/25/40/30/426254030.db2.gz FQCBVNVIHDMDLJ-CYBMUJFWSA-N 1 0 319.405 2.571 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000142108265 426257836 /nfs/dbraw/zinc/25/78/36/426257836.db2.gz SBYDAMJCZCIYPQ-TUAOUCFPSA-N 1 0 323.393 2.955 20 5 DFBDRO Cc1nc(N2CCC[C@H]([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000150878492 426265151 /nfs/dbraw/zinc/26/51/51/426265151.db2.gz RGVJFIUNQGWPDL-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087116610 426265576 /nfs/dbraw/zinc/26/55/76/426265576.db2.gz YKOBIKVCKXMLJT-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO CCCC[N@H+](C)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000117333390 426211427 /nfs/dbraw/zinc/21/14/27/426211427.db2.gz MPMQPGWBAOSLSV-UHFFFAOYSA-N 1 0 307.350 2.625 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000117333575 426211990 /nfs/dbraw/zinc/21/19/90/426211990.db2.gz OVHLEPTYJJBHMF-LBPRGKRZSA-N 1 0 319.361 2.767 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)cs1 ZINC000151386050 426292311 /nfs/dbraw/zinc/29/23/11/426292311.db2.gz PAIRYPNKCFXJFE-YPMHNXCESA-N 1 0 314.432 2.801 20 5 DFBDRO CCCC[N@H+](CCO)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089892896 426316263 /nfs/dbraw/zinc/31/62/63/426316263.db2.gz SKKIGTSLAIBKGB-UHFFFAOYSA-N 1 0 319.361 2.844 20 5 DFBDRO CCC(C)(C)[C@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090565345 426327483 /nfs/dbraw/zinc/32/74/83/426327483.db2.gz CIPDCSXPDYZPFJ-CQSZACIVSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccccc1[N+](=O)[O-])C2 ZINC000175029393 426275311 /nfs/dbraw/zinc/27/53/11/426275311.db2.gz KGUWZCLZBRFTCZ-UONOGXRCSA-N 1 0 317.389 2.682 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000175156836 426283447 /nfs/dbraw/zinc/28/34/47/426283447.db2.gz PGXBGSNLHOACJU-WCQYABFASA-N 1 0 306.366 2.589 20 5 DFBDRO COc1ccc(CC[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000119399452 426285672 /nfs/dbraw/zinc/28/56/72/426285672.db2.gz BAOYGKGNUHDSPP-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+](CCO)C3CC3)o2)cc1 ZINC000153601870 426394083 /nfs/dbraw/zinc/39/40/83/426394083.db2.gz PXPXHZIJJRLWOA-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c(Cl)c1 ZINC000152706814 426350432 /nfs/dbraw/zinc/35/04/32/426350432.db2.gz UMHRYROPSREZJI-CQSZACIVSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000152844077 426357329 /nfs/dbraw/zinc/35/73/29/426357329.db2.gz QBECFQAPXRPVMA-NSHDSACASA-N 1 0 323.418 2.745 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000152876420 426358646 /nfs/dbraw/zinc/35/86/46/426358646.db2.gz DYHDXEAESZROGN-CABCVRRESA-N 1 0 319.405 2.849 20 5 DFBDRO Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1 ZINC000176250080 426364339 /nfs/dbraw/zinc/36/43/39/426364339.db2.gz DKBLPKCDYNRJPL-HUUCEWRRSA-N 1 0 314.389 2.978 20 5 DFBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CC[C@@H]1c1ccccc1 ZINC000176263438 426365475 /nfs/dbraw/zinc/36/54/75/426365475.db2.gz KUTBHMRENGGJPI-ZBFHGGJFSA-N 1 0 314.389 2.917 20 5 DFBDRO CC[C@H](Cc1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000176263194 426365812 /nfs/dbraw/zinc/36/58/12/426365812.db2.gz QWCMNNXVHSRTLP-OAHLLOKOSA-N 1 0 302.378 2.744 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153107700 426371601 /nfs/dbraw/zinc/37/16/01/426371601.db2.gz MBDOEGIJIAKKTM-WBMJQRKESA-N 1 0 306.362 2.604 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153223315 426375891 /nfs/dbraw/zinc/37/58/91/426375891.db2.gz ZPFCPGNUKPUGPS-JHJVBQTASA-N 1 0 303.362 2.654 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000153357781 426381570 /nfs/dbraw/zinc/38/15/70/426381570.db2.gz CGEXYKPDMSBPTQ-DOMZBBRYSA-N 1 0 318.377 2.543 20 5 DFBDRO CC(=O)N[C@@H]1CCCN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000153883058 426411390 /nfs/dbraw/zinc/41/13/90/426411390.db2.gz JPQCOJGTDJXRQQ-OAHLLOKOSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC000123185556 426419150 /nfs/dbraw/zinc/41/91/50/426419150.db2.gz FLVJWUZSGMYJJA-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CS[C@H](CO)[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154189026 426428992 /nfs/dbraw/zinc/42/89/92/426428992.db2.gz BJSWUZVMICNWPF-HZUKXOBISA-N 1 0 324.446 2.618 20 5 DFBDRO CCc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)cc1[N+](=O)[O-] ZINC000177004662 426433870 /nfs/dbraw/zinc/43/38/70/426433870.db2.gz JDYWZDOZZRAIDQ-HNNXBMFYSA-N 1 0 319.405 2.714 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341065372 269037909 /nfs/dbraw/zinc/03/79/09/269037909.db2.gz URQINGBWYXMLRS-KBPBESRZSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000341075963 269040042 /nfs/dbraw/zinc/04/00/42/269040042.db2.gz ZFRXGZGIMVNIKE-BETUJISGSA-N 1 0 305.378 2.588 20 5 DFBDRO COc1cccc(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000341178164 269053980 /nfs/dbraw/zinc/05/39/80/269053980.db2.gz BQTJSSNSAKNQFI-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341290393 269061634 /nfs/dbraw/zinc/06/16/34/269061634.db2.gz PGAFRHWPOCJXJX-BETUJISGSA-N 1 0 320.393 2.979 20 5 DFBDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774699 426452824 /nfs/dbraw/zinc/45/28/24/426452824.db2.gz MHWKPFWGSIDKBG-HNNXBMFYSA-N 1 0 314.389 2.783 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccsc2)cc1[N+](=O)[O-] ZINC000124143959 426472852 /nfs/dbraw/zinc/47/28/52/426472852.db2.gz RVNQPTFBTWPUNY-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000195198866 426507395 /nfs/dbraw/zinc/50/73/95/426507395.db2.gz UGIBXDJWWAGZAF-CYBMUJFWSA-N 1 0 316.361 2.576 20 5 DFBDRO CCC[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000272373190 426508183 /nfs/dbraw/zinc/50/81/83/426508183.db2.gz GWBYVRKJVJBZNS-UHFFFAOYSA-N 1 0 304.293 2.747 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@H]([NH+](C)C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000280155520 426508333 /nfs/dbraw/zinc/50/83/33/426508333.db2.gz BNHBNFBQORYTDA-NHYWBVRUSA-N 1 0 305.378 2.574 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@H]2C)c([N+](=O)[O-])cc1OCC(F)F ZINC000272409304 426518436 /nfs/dbraw/zinc/51/84/36/426518436.db2.gz KRLRNGNDAMPDQY-WPRPVWTQSA-N 1 0 316.304 2.745 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000288415156 426521027 /nfs/dbraw/zinc/52/10/27/426521027.db2.gz NNRCADSQYDBNRR-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc([N+](=O)[O-])c1C ZINC000177800495 426523092 /nfs/dbraw/zinc/52/30/92/426523092.db2.gz AYBUTVBCDDPIJJ-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc(NC[C@@H]2CCN(c3ncccc3[N+](=O)[O-])C2)[nH+]1 ZINC000195513663 426533295 /nfs/dbraw/zinc/53/32/95/426533295.db2.gz NVQSZYUWEAYITQ-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO Cn1ccnc1[C@@H]([NH2+]CC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272487653 426538212 /nfs/dbraw/zinc/53/82/12/426538212.db2.gz DFBMQRUGUDPHBX-HNNXBMFYSA-N 1 0 300.362 2.807 20 5 DFBDRO C[NH+](C)CC1(CNC(=O)c2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000186177871 426491501 /nfs/dbraw/zinc/49/15/01/426491501.db2.gz DDZBOEVIFLWHLO-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177531616 426492930 /nfs/dbraw/zinc/49/29/30/426492930.db2.gz ARJUMKFWTNGBDW-ZFWWWQNUSA-N 1 0 300.362 2.669 20 5 DFBDRO O=C(C[NH+]1C[C@H]2CCCC[C@@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177545405 426493916 /nfs/dbraw/zinc/49/39/16/426493916.db2.gz OYRSLUCPDIFARM-CHWSQXEVSA-N 1 0 303.362 2.655 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177561712 426495775 /nfs/dbraw/zinc/49/57/75/426495775.db2.gz NAJBSTUNXLLTHB-UONOGXRCSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177570490 426496889 /nfs/dbraw/zinc/49/68/89/426496889.db2.gz HIPWCFJYDCXSGT-ZIAGYGMSSA-N 1 0 317.389 2.964 20 5 DFBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000177580874 426497292 /nfs/dbraw/zinc/49/72/92/426497292.db2.gz MDQAZFKSSBAXLO-INIZCTEOSA-N 1 0 300.358 2.942 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cccc1[N+](=O)[O-] ZINC000177592672 426498083 /nfs/dbraw/zinc/49/80/83/426498083.db2.gz NRUGKTKNHJUALW-QWHCGFSZSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177591918 426498160 /nfs/dbraw/zinc/49/81/60/426498160.db2.gz KLLIYOSCEFMGEJ-ZIAGYGMSSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186315550 426503957 /nfs/dbraw/zinc/50/39/57/426503957.db2.gz PSSKITUUNKUUBB-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178095338 426570017 /nfs/dbraw/zinc/57/00/17/426570017.db2.gz OLPQJYKGJODLFO-RYUDHWBXSA-N 1 0 307.394 2.857 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1c(Cl)cccc1[N+](=O)[O-] ZINC000264654638 426575926 /nfs/dbraw/zinc/57/59/26/426575926.db2.gz QFHMADIIIGOCEK-NEPJUHHUSA-N 1 0 323.780 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc(CN2CCC3(C2)Oc2ccccc2O3)c1 ZINC000289129749 426590177 /nfs/dbraw/zinc/59/01/77/426590177.db2.gz XQHQNZIMLJCCQX-UHFFFAOYSA-N 1 0 312.325 2.968 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000178255313 426594316 /nfs/dbraw/zinc/59/43/16/426594316.db2.gz DWQBZCNBRZTNNO-OKILXGFUSA-N 1 0 322.409 2.600 20 5 DFBDRO Cc1c(C[NH2+][C@@H](CO)c2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000273117141 426596266 /nfs/dbraw/zinc/59/62/66/426596266.db2.gz PALXHRUEUVHOOU-HNNXBMFYSA-N 1 0 304.321 2.866 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273144370 426600771 /nfs/dbraw/zinc/60/07/71/426600771.db2.gz PMAGSAGHKDMJNF-MRXNPFEDSA-N 1 0 300.358 2.678 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000280381181 426562690 /nfs/dbraw/zinc/56/26/90/426562690.db2.gz UETVQQVWOAADSC-WHOFXGATSA-N 1 0 306.362 2.662 20 5 DFBDRO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NC(=O)OC(C)(C)C ZINC000227711962 426631154 /nfs/dbraw/zinc/63/11/54/426631154.db2.gz USWDHTSSKXLHQB-CYBMUJFWSA-N 1 0 323.393 2.988 20 5 DFBDRO CCC(=O)c1ccc(N(C)C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280689503 426634991 /nfs/dbraw/zinc/63/49/91/426634991.db2.gz JFHCECAXXDKUFQ-CYBMUJFWSA-N 1 0 319.405 2.966 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000280774135 426653465 /nfs/dbraw/zinc/65/34/65/426653465.db2.gz ZWBFYEDWNKNPJT-BNOWGMLFSA-N 1 0 306.362 2.977 20 5 DFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000235464346 426661530 /nfs/dbraw/zinc/66/15/30/426661530.db2.gz DUYHFWZRDGRWGQ-LLVKDONJSA-N 1 0 309.366 2.598 20 5 DFBDRO CC[N@@H+]1CCCN(C(=O)/C(C)=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000273436391 426663736 /nfs/dbraw/zinc/66/37/36/426663736.db2.gz MNJRZOVLUUGOPM-BUHFOSPRSA-N 1 0 317.389 2.552 20 5 DFBDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000178661610 426671774 /nfs/dbraw/zinc/67/17/74/426671774.db2.gz OBJHEQDECDIUKM-LBPRGKRZSA-N 1 0 305.378 2.552 20 5 DFBDRO COc1ccc(C[NH2+]C[C@](C)(O)c2cccs2)cc1[N+](=O)[O-] ZINC000265754679 426682614 /nfs/dbraw/zinc/68/26/14/426682614.db2.gz IRUNQYWHQDCHRN-HNNXBMFYSA-N 1 0 322.386 2.662 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178727462 426682886 /nfs/dbraw/zinc/68/28/86/426682886.db2.gz RITDAXFSLGIKRH-CYBMUJFWSA-N 1 0 322.409 2.637 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281312122 426711988 /nfs/dbraw/zinc/71/19/88/426711988.db2.gz INIFWFAHLAXCCJ-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)c1ccc(C)o1 ZINC000265934535 426713476 /nfs/dbraw/zinc/71/34/76/426713476.db2.gz DWAVWPFWZUOOLK-AWEZNQCLSA-N 1 0 320.345 2.718 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c(Cl)c1 ZINC000290219337 426719269 /nfs/dbraw/zinc/71/92/69/426719269.db2.gz WXIMWIWJMQFASY-HNNXBMFYSA-N 1 0 320.776 2.941 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000281793874 426766779 /nfs/dbraw/zinc/76/67/79/426766779.db2.gz FQECASBBCYQOHY-UHFFFAOYSA-N 1 0 306.391 2.768 20 5 DFBDRO CC(C)C[C@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179206601 426768287 /nfs/dbraw/zinc/76/82/87/426768287.db2.gz CHEDIBFWIZKMDS-LLVKDONJSA-N 1 0 321.402 2.913 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1[N+](=O)[O-] ZINC000179396647 426785852 /nfs/dbraw/zinc/78/58/52/426785852.db2.gz KZBORAYZLCWDGT-NSHDSACASA-N 1 0 323.393 2.559 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266517694 426728814 /nfs/dbraw/zinc/72/88/14/426728814.db2.gz HLUBZYJUFROPLL-CHWSQXEVSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])cn2)[C@@H](c2ccco2)C1 ZINC000245409427 426734396 /nfs/dbraw/zinc/73/43/96/426734396.db2.gz MHBNXWDXXGTIJZ-GXTWGEPZSA-N 1 0 304.350 2.858 20 5 DFBDRO COc1cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000274311744 426741055 /nfs/dbraw/zinc/74/10/55/426741055.db2.gz MNSGAUUTEOZVQQ-HZPDHXFCSA-N 1 0 324.352 2.790 20 5 DFBDRO CCOC1CC([N@H+](C)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000290540236 426788800 /nfs/dbraw/zinc/78/88/00/426788800.db2.gz RGFRASYCIHGQPZ-UHFFFAOYSA-N 1 0 324.377 2.611 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000179149152 426758872 /nfs/dbraw/zinc/75/88/72/426758872.db2.gz HHYQZSPNLRRAOD-CYBMUJFWSA-N 1 0 322.361 2.521 20 5 DFBDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000188890108 426798494 /nfs/dbraw/zinc/79/84/94/426798494.db2.gz DEQCKPMUSBEJJQ-GFCCVEGCSA-N 1 0 307.394 2.675 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000290619108 426806543 /nfs/dbraw/zinc/80/65/43/426806543.db2.gz OMKOPVTVPYVXRZ-CQSZACIVSA-N 1 0 321.421 2.764 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000282017879 426813578 /nfs/dbraw/zinc/81/35/78/426813578.db2.gz RXSIBRNPNNLBIY-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000267227211 426849700 /nfs/dbraw/zinc/84/97/00/426849700.db2.gz DYXISXRBXKDEAN-VHSXEESVSA-N 1 0 309.395 2.589 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H](O)c1cccc(F)c1 ZINC000267249632 426856555 /nfs/dbraw/zinc/85/65/55/426856555.db2.gz ZGCPJMYPXSHPFU-ZBEGNZNMSA-N 1 0 304.321 2.946 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000266900585 426793257 /nfs/dbraw/zinc/79/32/57/426793257.db2.gz UECSYTKLMOSMKL-UONOGXRCSA-N 1 0 316.357 2.685 20 5 DFBDRO CNC(=O)CC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266912214 426793662 /nfs/dbraw/zinc/79/36/62/426793662.db2.gz DNBODSPELBBHNL-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO Cc1ccc(C)n1C1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000266923927 426795763 /nfs/dbraw/zinc/79/57/63/426795763.db2.gz QGMXQMRPVBXDIN-UHFFFAOYSA-N 1 0 317.393 2.547 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000268115210 426916476 /nfs/dbraw/zinc/91/64/76/426916476.db2.gz KAUGPJJAAGTMMF-ZDUSSCGKSA-N 1 0 317.345 2.507 20 5 DFBDRO CN(CCOCC(F)F)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000189585948 426895880 /nfs/dbraw/zinc/89/58/80/426895880.db2.gz VUYINCXMZDFBCK-UHFFFAOYSA-N 1 0 308.712 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]2(CO)CCc3ccccc32)cc1 ZINC000305258718 426904484 /nfs/dbraw/zinc/90/44/84/426904484.db2.gz XGMUWYBZBBCYHT-SFHVURJKSA-N 1 0 312.369 2.561 20 5 DFBDRO CCOC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000189807358 426954176 /nfs/dbraw/zinc/95/41/76/426954176.db2.gz HEISLVCMJGBALR-GXTWGEPZSA-N 1 0 323.393 2.573 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N[C@@H](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181545823 426959902 /nfs/dbraw/zinc/95/99/02/426959902.db2.gz DLVJNFAYACFMQL-SWLSCSKDSA-N 1 0 307.394 2.796 20 5 DFBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247957169 426967905 /nfs/dbraw/zinc/96/79/05/426967905.db2.gz FSKICOGHTAKQEF-MJEQTWJJSA-N 1 0 306.406 2.913 20 5 DFBDRO COC(=O)C1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)CC1 ZINC000295461894 426969152 /nfs/dbraw/zinc/96/91/52/426969152.db2.gz HYTMLUQKWAXBJK-UHFFFAOYSA-N 1 0 306.362 2.758 20 5 DFBDRO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691628 426974362 /nfs/dbraw/zinc/97/43/62/426974362.db2.gz FNOQKOYJBWRQAZ-WMLDXEAASA-N 1 0 321.421 2.602 20 5 DFBDRO CC[N@H+](C)Cc1cccc(CNc2ncc([N+](=O)[O-])c(C)n2)c1 ZINC000295497763 426982517 /nfs/dbraw/zinc/98/25/17/426982517.db2.gz KNDQOILDZHAZOD-UHFFFAOYSA-N 1 0 315.377 2.757 20 5 DFBDRO COc1ccc(C[NH2+][C@H](CO)CC2CCCC2)cc1[N+](=O)[O-] ZINC000337822438 426984883 /nfs/dbraw/zinc/98/48/83/426984883.db2.gz RJMQMIOAZPHTRH-AWEZNQCLSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2NC[C@@H](C)[NH+](C)C ZINC000295511035 426987493 /nfs/dbraw/zinc/98/74/93/426987493.db2.gz LNAWLZMDPOZVCV-SNVBAGLBSA-N 1 0 304.350 2.514 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293612 426990852 /nfs/dbraw/zinc/99/08/52/426990852.db2.gz YBBVGFAIVUEIDU-SWLSCSKDSA-N 1 0 309.385 2.896 20 5 DFBDRO CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000315101252 426933543 /nfs/dbraw/zinc/93/35/43/426933543.db2.gz CMSBMSVFWYLIDX-ABIUDSBCSA-N 1 0 305.378 2.680 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000248438464 427002489 /nfs/dbraw/zinc/00/24/89/427002489.db2.gz BUUUNOIIFOVSDW-QLFBSQMISA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248468760 427004819 /nfs/dbraw/zinc/00/48/19/427004819.db2.gz UHVNUVGRAIAWMH-HUUCEWRRSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)[NH+]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000295622612 427012340 /nfs/dbraw/zinc/01/23/40/427012340.db2.gz ARISPFNUUKKGCT-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)C2)C1 ZINC000295683478 427015252 /nfs/dbraw/zinc/01/52/52/427015252.db2.gz MQYOADZZMXFHPE-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO CCC(CC)(CC)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182188142 427023362 /nfs/dbraw/zinc/02/33/62/427023362.db2.gz IQMFYNGNRWFNMS-ZDUSSCGKSA-N 1 0 310.394 2.893 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000291929833 427030092 /nfs/dbraw/zinc/03/00/92/427030092.db2.gz SVWFOOOBUKEZEI-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO Cn1cc(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)cn1 ZINC000283578944 427038970 /nfs/dbraw/zinc/03/89/70/427038970.db2.gz OXKPNTLALOPUEY-UHFFFAOYSA-N 1 0 318.352 2.847 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)[nH]1 ZINC000268523165 427040941 /nfs/dbraw/zinc/04/09/41/427040941.db2.gz XGBRPNNQJQHSRY-AWEZNQCLSA-N 1 0 315.377 2.709 20 5 DFBDRO Cc1ccc(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000295998031 427041901 /nfs/dbraw/zinc/04/19/01/427041901.db2.gz KSDWEWXHMDSJSV-ZDUSSCGKSA-N 1 0 303.406 2.819 20 5 DFBDRO CCN1CCCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000190201342 427042739 /nfs/dbraw/zinc/04/27/39/427042739.db2.gz PYQPKVSKESLGRU-CYBMUJFWSA-N 1 0 305.378 2.518 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000283759023 427070922 /nfs/dbraw/zinc/07/09/22/427070922.db2.gz MQCXVMLRWBXGEY-CJNGLKHVSA-N 1 0 317.389 2.718 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN(CCO)Cc2cccnc2)c1 ZINC000268625887 427071860 /nfs/dbraw/zinc/07/18/60/427071860.db2.gz BBIZPNMAWNTBQM-UHFFFAOYSA-N 1 0 321.764 2.638 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000283786145 427073510 /nfs/dbraw/zinc/07/35/10/427073510.db2.gz RFOGYUQYDMLTSN-CQSZACIVSA-N 1 0 319.405 2.966 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000276472386 427079165 /nfs/dbraw/zinc/07/91/65/427079165.db2.gz YWHFSEOHZHAEGX-UHFFFAOYSA-N 1 0 311.357 2.538 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000276492685 427083023 /nfs/dbraw/zinc/08/30/23/427083023.db2.gz QGBJYWDGNJCNRP-LBPRGKRZSA-N 1 0 304.375 2.738 20 5 DFBDRO COc1ccc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000292116388 427093823 /nfs/dbraw/zinc/09/38/23/427093823.db2.gz JQHWVHYUGCEVRG-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO C[C@H]1CSCC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000190406895 427097354 /nfs/dbraw/zinc/09/73/54/427097354.db2.gz TUMFDFJFWYUSHT-LLVKDONJSA-N 1 0 324.402 2.646 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182562368 427100218 /nfs/dbraw/zinc/10/02/18/427100218.db2.gz IADJIPZEVBNDMQ-NWDGAFQWSA-N 1 0 322.386 2.747 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000292131749 427102015 /nfs/dbraw/zinc/10/20/15/427102015.db2.gz LHFIUYHYHITMLH-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO COC(=O)c1coc(CNC(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292136806 427102530 /nfs/dbraw/zinc/10/25/30/427102530.db2.gz LXRRRTUZSHFXKA-UHFFFAOYSA-N 1 0 318.329 2.999 20 5 DFBDRO CC(=O)N1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182587528 427107706 /nfs/dbraw/zinc/10/77/06/427107706.db2.gz VYUYHEFIAIECMC-ZDUSSCGKSA-N 1 0 305.378 2.518 20 5 DFBDRO C[C@@H]1CSCC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000190460979 427114983 /nfs/dbraw/zinc/11/49/83/427114983.db2.gz XQJKITBTPVUDBT-LBPRGKRZSA-N 1 0 323.418 2.608 20 5 DFBDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000249524587 427125235 /nfs/dbraw/zinc/12/52/35/427125235.db2.gz RNAYWLLCQYHTOL-XPKDYRNWSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC1([NH2+]CC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000296262839 427125843 /nfs/dbraw/zinc/12/58/43/427125843.db2.gz LXFQHAQEGCTKGP-UHFFFAOYSA-N 1 0 321.377 2.854 20 5 DFBDRO CC(=O)NC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182717772 427131522 /nfs/dbraw/zinc/13/15/22/427131522.db2.gz IMBJKQMYNVFJSO-LBPRGKRZSA-N 1 0 305.378 2.565 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+](C)C)CC1 ZINC000276995049 427131660 /nfs/dbraw/zinc/13/16/60/427131660.db2.gz HETHWPYTYZFAFA-AWEZNQCLSA-N 1 0 307.394 2.662 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000182763938 427140389 /nfs/dbraw/zinc/14/03/89/427140389.db2.gz GSHBOOHKKMNKFN-GFCCVEGCSA-N 1 0 308.382 2.755 20 5 DFBDRO Cc1nccn1CCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284153536 427145777 /nfs/dbraw/zinc/14/57/77/427145777.db2.gz PJGODASRLUFYKL-GFCCVEGCSA-N 1 0 317.393 2.813 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152757298 271046397 /nfs/dbraw/zinc/04/63/97/271046397.db2.gz MNAHGXQJOMLCHC-HOTGVXAUSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000162486631 271084524 /nfs/dbraw/zinc/08/45/24/271084524.db2.gz LRGFZXUQECANOO-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO CCC[N@@H+](CCc1cccc(F)c1)CCn1cc([N+](=O)[O-])cn1 ZINC000174862170 271141206 /nfs/dbraw/zinc/14/12/06/271141206.db2.gz NYBGHQSFUAUEHE-UHFFFAOYSA-N 1 0 320.368 2.885 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cccc([N+](=O)[O-])c1C ZINC000175036739 271145261 /nfs/dbraw/zinc/14/52/61/271145261.db2.gz OKRUTAYZFHTYCP-JKSUJKDBSA-N 1 0 303.406 2.962 20 5 DFBDRO CCCc1[nH]nc(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)c1[N+](=O)[O-] ZINC000178239709 271188841 /nfs/dbraw/zinc/18/88/41/271188841.db2.gz QMVIJBKVRHSIOA-VIFPVBQESA-N 1 0 317.349 2.542 20 5 DFBDRO CC(C)C[C@]1(C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000296401000 427168738 /nfs/dbraw/zinc/16/87/38/427168738.db2.gz TYUCKOGKPUMLPI-INIZCTEOSA-N 1 0 307.394 2.657 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000250154195 271264779 /nfs/dbraw/zinc/26/47/79/271264779.db2.gz MHSIWEFXJSPGCC-UKRRQHHQSA-N 1 0 310.394 2.701 20 5 DFBDRO C[NH+]1CCC([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000270445576 271293567 /nfs/dbraw/zinc/29/35/67/271293567.db2.gz KGJOTWSXOLQRDB-INIZCTEOSA-N 1 0 303.406 2.759 20 5 DFBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481756 271296139 /nfs/dbraw/zinc/29/61/39/271296139.db2.gz FXLGPDDCBJIEJN-ZFWWWQNUSA-N 1 0 307.394 2.657 20 5 DFBDRO CCN(CCOC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270587778 271313563 /nfs/dbraw/zinc/31/35/63/271313563.db2.gz JRVWOGPXUMKDCZ-UHFFFAOYSA-N 1 0 305.334 2.718 20 5 DFBDRO Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)no1 ZINC000296540114 427217065 /nfs/dbraw/zinc/21/70/65/427217065.db2.gz DYVHSELNJUZWJD-NSHDSACASA-N 1 0 318.333 2.571 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000252370272 427173432 /nfs/dbraw/zinc/17/34/32/427173432.db2.gz XJCJHJWCANQLMW-DZGCQCFKSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@H](C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000252443043 427173517 /nfs/dbraw/zinc/17/35/17/427173517.db2.gz KTNVTHKCXLGHAQ-WFASDCNBSA-N 1 0 305.378 2.678 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000277364575 427177343 /nfs/dbraw/zinc/17/73/43/427177343.db2.gz WOHWNRFIVYTQBK-HNNXBMFYSA-N 1 0 319.405 2.942 20 5 DFBDRO C[C@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CCC2)C1 ZINC000292357143 427178256 /nfs/dbraw/zinc/17/82/56/427178256.db2.gz QDWBEIUHFVFIKN-HNNXBMFYSA-N 1 0 317.433 2.944 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(c3ncc(Cl)cc3[N+](=O)[O-])CC[C@H]21 ZINC000269377552 427181073 /nfs/dbraw/zinc/18/10/73/427181073.db2.gz OCLSNUSODFWJQX-CMPLNLGQSA-N 1 0 310.785 2.564 20 5 DFBDRO Cc1cc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)n(C)n1 ZINC000284345597 427187671 /nfs/dbraw/zinc/18/76/71/427187671.db2.gz NAJUSZHICVZEBG-INIZCTEOSA-N 1 0 314.389 2.748 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000296480133 427194627 /nfs/dbraw/zinc/19/46/27/427194627.db2.gz YHXAYYJKCREQOF-BPLDGKMQSA-N 1 0 306.362 2.507 20 5 DFBDRO Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1[N+](=O)[O-] ZINC000269441980 427198094 /nfs/dbraw/zinc/19/80/94/427198094.db2.gz SUCCPFOOAGGUTE-BBRMVZONSA-N 1 0 316.405 2.751 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000285601397 427284340 /nfs/dbraw/zinc/28/43/40/427284340.db2.gz PPEUJMGTWREMHY-DOMZBBRYSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](CO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000293145680 427225111 /nfs/dbraw/zinc/22/51/11/427225111.db2.gz UOZHXTHWCLPOLY-HNNXBMFYSA-N 1 0 322.405 2.882 20 5 DFBDRO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCC[C@@H]21 ZINC000293159909 427227198 /nfs/dbraw/zinc/22/71/98/427227198.db2.gz UUIZBEMLIOWCRQ-KBPBESRZSA-N 1 0 317.389 2.704 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccc(CO)cc1 ZINC000285464490 427239640 /nfs/dbraw/zinc/23/96/40/427239640.db2.gz ZOCRYHDILHXPCD-UHFFFAOYSA-N 1 0 300.358 2.762 20 5 DFBDRO COC1CCC([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269659445 427242741 /nfs/dbraw/zinc/24/27/41/427242741.db2.gz PTDZNUIMVDSVRS-BCLQGDPASA-N 1 0 308.378 2.518 20 5 DFBDRO COc1ccc(CN2CCO[C@H]3CCCC[C@H]32)cc1[N+](=O)[O-] ZINC000255166376 427247835 /nfs/dbraw/zinc/24/78/35/427247835.db2.gz UQYVIJHCFGNWMX-CJNGLKHVSA-N 1 0 306.362 2.747 20 5 DFBDRO COc1ccccc1C[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269702783 427256159 /nfs/dbraw/zinc/25/61/59/427256159.db2.gz MHSXXFHCJQGSOB-MRXNPFEDSA-N 1 0 316.357 2.769 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000255344855 427259627 /nfs/dbraw/zinc/25/96/27/427259627.db2.gz NNSDCERJZIBOOH-JXMNSVBMSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3cc(O)ccc3C2)cc1 ZINC000285671329 427303653 /nfs/dbraw/zinc/30/36/53/427303653.db2.gz ZSCZHEPUXSEKMM-UHFFFAOYSA-N 1 0 314.341 2.738 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000270215405 427321685 /nfs/dbraw/zinc/32/16/85/427321685.db2.gz SLOMEOKDKYRNTG-ZDUSSCGKSA-N 1 0 307.369 2.902 20 5 DFBDRO Cc1nc(NC[C@@H](C)[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000297086090 427324891 /nfs/dbraw/zinc/32/48/91/427324891.db2.gz KEZFTXZVCJDTJF-GFCCVEGCSA-N 1 0 315.377 2.626 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000270367512 427335884 /nfs/dbraw/zinc/33/58/84/427335884.db2.gz AWKKMZCDZGNTGY-GOEBONIOSA-N 1 0 306.362 2.806 20 5 DFBDRO C[C@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@H](C[NH3+])C1 ZINC000261710136 427339514 /nfs/dbraw/zinc/33/95/14/427339514.db2.gz GDWUUVICWXVANI-GWCFXTLKSA-N 1 0 317.345 2.540 20 5 DFBDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000261905825 427344501 /nfs/dbraw/zinc/34/45/01/427344501.db2.gz XHIASMGDBURPAC-RYUDHWBXSA-N 1 0 319.405 2.702 20 5 DFBDRO Nc1c(F)c(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000277887252 427350005 /nfs/dbraw/zinc/35/00/05/427350005.db2.gz NCJAXMGCOZAACX-UHFFFAOYSA-N 1 0 308.357 2.602 20 5 DFBDRO Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1F ZINC000277707334 427290779 /nfs/dbraw/zinc/29/07/79/427290779.db2.gz OQIHXGDVCPWBLZ-NEPJUHHUSA-N 1 0 323.368 2.645 20 5 DFBDRO CC[NH+](CC)CCCNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000285962348 427388539 /nfs/dbraw/zinc/38/85/39/427388539.db2.gz AKCZHUAGQBGVOD-UHFFFAOYSA-N 1 0 309.395 2.743 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc(N)cc1[N+](=O)[O-])c1ccsc1 ZINC000285992043 427395720 /nfs/dbraw/zinc/39/57/20/427395720.db2.gz CSVQTFBGFXGJCT-AWEZNQCLSA-N 1 0 306.391 2.953 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)cc1[N+](=O)[O-] ZINC000191658554 427401755 /nfs/dbraw/zinc/40/17/55/427401755.db2.gz QBIOWUNEYMCEOU-QGZVFWFLSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1nccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293690079 427409232 /nfs/dbraw/zinc/40/92/32/427409232.db2.gz KWNSJVFSBREAOI-VXGBXAGGSA-N 1 0 317.393 2.669 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCOCC2)[C@H]1C1CC1 ZINC000293732849 427417758 /nfs/dbraw/zinc/41/77/58/427417758.db2.gz UYDBJPMZLVHYPS-MRXNPFEDSA-N 1 0 302.374 2.986 20 5 DFBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000277912501 427355712 /nfs/dbraw/zinc/35/57/12/427355712.db2.gz GNKNYGGVLOSIGE-AWEZNQCLSA-N 1 0 307.394 2.816 20 5 DFBDRO CC1(C)CCC[NH2+][C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000262515291 427361496 /nfs/dbraw/zinc/36/14/96/427361496.db2.gz NJCNFGLJVDRERC-CYBMUJFWSA-N 1 0 303.366 2.661 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293583902 427369029 /nfs/dbraw/zinc/36/90/29/427369029.db2.gz FBBAYABUGFVBDK-QFYYESIMSA-N 1 0 319.336 2.700 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000277957693 427369496 /nfs/dbraw/zinc/36/94/96/427369496.db2.gz KEUJBQKEOZNOFG-JTQLQIEISA-N 1 0 313.785 2.627 20 5 DFBDRO CC(C)[C@H](CNc1ccncc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000340151006 271710526 /nfs/dbraw/zinc/71/05/26/271710526.db2.gz KNAGNCXZHHYVDE-HNNXBMFYSA-N 1 0 306.410 2.580 20 5 DFBDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000293834237 427456616 /nfs/dbraw/zinc/45/66/16/427456616.db2.gz WQUPOGOKVIIMIH-AWEZNQCLSA-N 1 0 322.405 2.997 20 5 DFBDRO Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000278806800 427459928 /nfs/dbraw/zinc/45/99/28/427459928.db2.gz ZPCKKIZQPUKCKW-GDBMZVCRSA-N 1 0 314.389 2.978 20 5 DFBDRO COC(=O)c1coc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000278837184 427469581 /nfs/dbraw/zinc/46/95/81/427469581.db2.gz UNNFVWICQDMYNF-NSHDSACASA-N 1 0 318.329 2.868 20 5 DFBDRO CN(c1ncc([N+](=O)[O-])cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286264785 427471796 /nfs/dbraw/zinc/47/17/96/427471796.db2.gz FWZAQMAWXZFUJG-ZACCUICWSA-N 1 0 310.785 2.705 20 5 DFBDRO CCOC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000286083152 427422777 /nfs/dbraw/zinc/42/27/77/427422777.db2.gz KDSORYJSFHSTOW-ZDUSSCGKSA-N 1 0 307.350 2.887 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2cccc(C)c2[N+](=O)[O-])C[C@H]1CC ZINC000338669683 427431269 /nfs/dbraw/zinc/43/12/69/427431269.db2.gz ZXJJEOPRYIZQLQ-OAHLLOKOSA-N 1 0 321.421 2.840 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C(C)C)C2CC2)c([N+](=O)[O-])c1 ZINC000297729309 427438301 /nfs/dbraw/zinc/43/83/01/427438301.db2.gz CLQOYTYIRHKANB-UHFFFAOYSA-N 1 0 321.377 2.805 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCCC[NH+]1CCCC1 ZINC000293924852 427491177 /nfs/dbraw/zinc/49/11/77/427491177.db2.gz MILYCVDDIZINKW-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1[N+](=O)[O-] ZINC000338791844 427492154 /nfs/dbraw/zinc/49/21/54/427492154.db2.gz LKENXNPLNCIGHK-SMDDNHRTSA-N 1 0 305.378 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc([C@@H]3CCCN3C3CC3)n2)cc1 ZINC000279088355 427556214 /nfs/dbraw/zinc/55/62/14/427556214.db2.gz VZAQDKXAIIDOHD-ZDUSSCGKSA-N 1 0 300.318 2.944 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000184588293 427495693 /nfs/dbraw/zinc/49/56/93/427495693.db2.gz SWDSFVXPTKWKLH-CQSZACIVSA-N 1 0 306.318 2.544 20 5 DFBDRO Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000184612146 427502969 /nfs/dbraw/zinc/50/29/69/427502969.db2.gz YBIKCUIBFAXAGX-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000286413836 427520145 /nfs/dbraw/zinc/52/01/45/427520145.db2.gz KCLVSJFIFPLACR-CYBMUJFWSA-N 1 0 323.368 2.615 20 5 DFBDRO CCC(=O)c1ccc(N2CCN(CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286418840 427521698 /nfs/dbraw/zinc/52/16/98/427521698.db2.gz QVSZHTUUCFQSIT-LBPRGKRZSA-N 1 0 305.378 2.718 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000286426297 427526046 /nfs/dbraw/zinc/52/60/46/427526046.db2.gz MSDHDAXNHIXMOP-UHFFFAOYSA-N 1 0 311.332 2.543 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000286575091 427536262 /nfs/dbraw/zinc/53/62/62/427536262.db2.gz XVFKVKJHUSTGDH-DGCLKSJQSA-N 1 0 320.349 2.566 20 5 DFBDRO C[C@@H]([NH2+]CCOc1ncccc1F)c1cccc([N+](=O)[O-])c1 ZINC000271442481 427539160 /nfs/dbraw/zinc/53/91/60/427539160.db2.gz CMNGMGQBYAFENK-LLVKDONJSA-N 1 0 305.309 2.859 20 5 DFBDRO O=[N+]([O-])c1c[nH]c(-c2csc([C@H]3C[N@@H+]4CCC[C@H]4CO3)n2)c1 ZINC000338899824 427547683 /nfs/dbraw/zinc/54/76/83/427547683.db2.gz IOGDEQUUZCKCKR-TVQRCGJNSA-N 1 0 320.374 2.582 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000192483955 427548149 /nfs/dbraw/zinc/54/81/49/427548149.db2.gz OPAJFMFPNNPKQL-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncc([N+](=O)[O-])s1 ZINC000192488309 427550062 /nfs/dbraw/zinc/55/00/62/427550062.db2.gz ACHUEBTUOQMSJJ-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO C[C@H](c1ccccn1)[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000332458098 427617564 /nfs/dbraw/zinc/61/75/64/427617564.db2.gz PEDABENLSCDFIA-GFCCVEGCSA-N 1 0 301.350 2.584 20 5 DFBDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332517239 427617662 /nfs/dbraw/zinc/61/76/62/427617662.db2.gz NFIUDMSHEXTLNW-HNNXBMFYSA-N 1 0 318.421 2.611 20 5 DFBDRO CCn1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cn1 ZINC000271528749 427573471 /nfs/dbraw/zinc/57/34/71/427573471.db2.gz WKGFUPYURCITCJ-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000271694548 427579940 /nfs/dbraw/zinc/57/99/40/427579940.db2.gz FYCXUDIXGGRCAA-LLVKDONJSA-N 1 0 318.333 2.571 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000263817653 427582194 /nfs/dbraw/zinc/58/21/94/427582194.db2.gz WKOIVAHJELSGBG-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCc1cnccn1)C1CC1 ZINC000341872658 271917026 /nfs/dbraw/zinc/91/70/26/271917026.db2.gz HBRYBLPZCYHYQE-INIZCTEOSA-N 1 0 312.373 2.538 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000287339650 427584839 /nfs/dbraw/zinc/58/48/39/427584839.db2.gz VVNVIEFBSVBBDP-CZUORRHYSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000185040902 427586553 /nfs/dbraw/zinc/58/65/53/427586553.db2.gz DRAXQDFTDSSFSE-ZWNOBZJWSA-N 1 0 307.375 2.744 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279176340 427587223 /nfs/dbraw/zinc/58/72/23/427587223.db2.gz CKGZHGDITQBXMT-IUODEOHRSA-N 1 0 317.389 2.652 20 5 DFBDRO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000192698484 427590091 /nfs/dbraw/zinc/59/00/91/427590091.db2.gz BVHSNMNDMQVQOV-JTQLQIEISA-N 1 0 309.366 2.709 20 5 DFBDRO COCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000338954795 427590384 /nfs/dbraw/zinc/59/03/84/427590384.db2.gz YPKXSDOHYYKYEC-MRXNPFEDSA-N 1 0 308.378 2.531 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H](CCO)c2ccco2)cc1 ZINC000185084089 427591669 /nfs/dbraw/zinc/59/16/69/427591669.db2.gz XZOBDLBIXYZERG-HNNXBMFYSA-N 1 0 320.345 2.670 20 5 DFBDRO C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192719015 427594773 /nfs/dbraw/zinc/59/47/73/427594773.db2.gz MDUANDWTBSUZDT-MLGOLLRUSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@H](Cn1cncn1)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279210951 427597580 /nfs/dbraw/zinc/59/75/80/427597580.db2.gz YDNCATHEFPPQMP-ABAIWWIYSA-N 1 0 315.377 2.587 20 5 DFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000298437342 427609986 /nfs/dbraw/zinc/60/99/86/427609986.db2.gz BNNZGLMWJUDSAM-GFCCVEGCSA-N 1 0 305.378 2.604 20 5 DFBDRO C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000272107226 427635024 /nfs/dbraw/zinc/63/50/24/427635024.db2.gz MQAPKPWBDWADLX-CYBMUJFWSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCO[C@@H]1CCOC1)CCC2 ZINC000192951963 427641520 /nfs/dbraw/zinc/64/15/20/427641520.db2.gz VMRIKBIGFFYWPF-NVXWUHKLSA-N 1 0 320.389 2.757 20 5 DFBDRO COC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCOCC1 ZINC000193037525 427654650 /nfs/dbraw/zinc/65/46/50/427654650.db2.gz KVUJNODZXBAJII-MRXNPFEDSA-N 1 0 320.389 2.757 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000272161680 427655765 /nfs/dbraw/zinc/65/57/65/427655765.db2.gz HVCIFGDEZLUYFG-LLVKDONJSA-N 1 0 323.368 2.536 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279375455 427656905 /nfs/dbraw/zinc/65/69/05/427656905.db2.gz XKZUMOHTCLIMCQ-IUODEOHRSA-N 1 0 305.378 2.726 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCC1([NH+](C)C)CCC1 ZINC000342965200 272072480 /nfs/dbraw/zinc/07/24/80/272072480.db2.gz ZWMFFEGADDIINJ-UHFFFAOYSA-N 1 0 321.377 2.586 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(OC)c1 ZINC000343268802 272109485 /nfs/dbraw/zinc/10/94/85/272109485.db2.gz XEBBRZJLPFYIKU-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C[C@@H]1[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CCC[N@@H+]1C ZINC000343488397 272158368 /nfs/dbraw/zinc/15/83/68/272158368.db2.gz FQOCOHFKQPRLPN-ZWNOBZJWSA-N 1 0 317.345 2.554 20 5 DFBDRO CCC1(C)CC[NH+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000343530642 272164900 /nfs/dbraw/zinc/16/49/00/272164900.db2.gz CTGMQRYSYDBFML-AWEZNQCLSA-N 1 0 322.405 2.847 20 5 DFBDRO Cc1cnc(N2CC([N@H+](C)Cc3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000343622756 272186558 /nfs/dbraw/zinc/18/65/58/272186558.db2.gz IPPHWEHFCQCLSD-UHFFFAOYSA-N 1 0 312.373 2.619 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000295064818 427679896 /nfs/dbraw/zinc/67/98/96/427679896.db2.gz ZJMFJUAKHQTYTF-LBPRGKRZSA-N 1 0 317.389 2.718 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000343904284 272234505 /nfs/dbraw/zinc/23/45/05/272234505.db2.gz HNXPVIIRWLXISU-GFCCVEGCSA-N 1 0 319.361 2.767 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000343916971 272237208 /nfs/dbraw/zinc/23/72/08/272237208.db2.gz GXZZULDQEWFXAQ-WMLDXEAASA-N 1 0 303.406 2.696 20 5 DFBDRO CCC[N@H+](CC)CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21 ZINC000343933172 272240010 /nfs/dbraw/zinc/24/00/10/272240010.db2.gz QVZKGIXBIQPDOD-UHFFFAOYSA-N 1 0 307.350 2.625 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC(C)(C)C1 ZINC000344026279 272250442 /nfs/dbraw/zinc/25/04/42/272250442.db2.gz BTPKMVAKGUWICV-LLVKDONJSA-N 1 0 305.378 2.562 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000344082725 272259488 /nfs/dbraw/zinc/25/94/88/272259488.db2.gz RXEYWOMGZLDGFU-ZFWWWQNUSA-N 1 0 322.405 2.703 20 5 DFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000344125641 272269120 /nfs/dbraw/zinc/26/91/20/272269120.db2.gz INAMPYTYRVXALM-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000344167923 272279200 /nfs/dbraw/zinc/27/92/00/272279200.db2.gz UTPZKINNLFVFQP-KGLIPLIRSA-N 1 0 322.405 2.703 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ncc(C)cn1 ZINC000344831717 272375490 /nfs/dbraw/zinc/37/54/90/272375490.db2.gz MRFNFSJGQXZMKU-JYRVWZFOSA-N 1 0 312.373 2.929 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000298721915 427687146 /nfs/dbraw/zinc/68/71/46/427687146.db2.gz JCNOUONJYYGNRK-HIFRSBDPSA-N 1 0 318.377 2.652 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000193483940 427694755 /nfs/dbraw/zinc/69/47/55/427694755.db2.gz HGGAQXGWAYVOHT-IUODEOHRSA-N 1 0 316.405 2.630 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000295113598 427696570 /nfs/dbraw/zinc/69/65/70/427696570.db2.gz MAMREBCSONEXJW-MRXNPFEDSA-N 1 0 304.321 2.866 20 5 DFBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000193797968 427714588 /nfs/dbraw/zinc/71/45/88/427714588.db2.gz HQYMFHSYMWFMIA-JTQLQIEISA-N 1 0 309.322 2.502 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000299133148 427754553 /nfs/dbraw/zinc/75/45/53/427754553.db2.gz ZNALZYYGQBEINU-CQSZACIVSA-N 1 0 319.405 2.837 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000336850446 427758262 /nfs/dbraw/zinc/75/82/62/427758262.db2.gz UBGHCKNBRQQJET-LKSINWNRSA-N 1 0 305.378 2.598 20 5 DFBDRO CC(C)C[C@@H]([NH3+])c1noc(COc2ccccc2[N+](=O)[O-])n1 ZINC000339391000 427766982 /nfs/dbraw/zinc/76/69/82/427766982.db2.gz IARUSLLLYDPTPV-SNVBAGLBSA-N 1 0 306.322 2.603 20 5 DFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncccc3[N+](=O)[O-])C2)CC1 ZINC000299604260 427766984 /nfs/dbraw/zinc/76/69/84/427766984.db2.gz WHWHWOJJQYTHAQ-HNNXBMFYSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868553 427767381 /nfs/dbraw/zinc/76/73/81/427767381.db2.gz XFNBYRBKAAUXRW-IUODEOHRSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428266 427772872 /nfs/dbraw/zinc/77/28/72/427772872.db2.gz GXHIJJJPAHRRLH-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO C[C@@H]1C[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)C[C@@H](C)O1 ZINC000301092932 427775269 /nfs/dbraw/zinc/77/52/69/427775269.db2.gz PUUNOGTXOYHHPU-VXGBXAGGSA-N 1 0 311.357 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301112938 427775710 /nfs/dbraw/zinc/77/57/10/427775710.db2.gz SFYBTQCXVBZKJG-ZDUSSCGKSA-N 1 0 320.349 2.568 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1[N+](=O)[O-] ZINC000339459784 427778441 /nfs/dbraw/zinc/77/84/41/427778441.db2.gz TWDDCEIKAVVJIS-JTQLQIEISA-N 1 0 303.318 2.555 20 5 DFBDRO C[NH+](C)C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000301216082 427782242 /nfs/dbraw/zinc/78/22/42/427782242.db2.gz XZZNSLAXKKKPCM-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000336726519 427750138 /nfs/dbraw/zinc/75/01/38/427750138.db2.gz ZQXFSGLUDXNJKX-OAHLLOKOSA-N 1 0 312.373 2.924 20 5 DFBDRO CCOc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000301507537 427801396 /nfs/dbraw/zinc/80/13/96/427801396.db2.gz DEUYODVORAVIJL-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301573500 427806118 /nfs/dbraw/zinc/80/61/18/427806118.db2.gz LPCANPOTZLPSKZ-MNOVXSKESA-N 1 0 308.338 2.788 20 5 DFBDRO Cc1ccc(N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c([N+](=O)[O-])c1 ZINC000301832445 427828016 /nfs/dbraw/zinc/82/80/16/427828016.db2.gz UBOXWUVBLHOGQT-AWEZNQCLSA-N 1 0 319.405 2.593 20 5 DFBDRO COc1cc(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000301914102 427840651 /nfs/dbraw/zinc/84/06/51/427840651.db2.gz FLQAJIYUKHUUMM-ZWNOBZJWSA-N 1 0 311.357 2.883 20 5 DFBDRO COc1cc(N[C@@H]2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000301934981 427843898 /nfs/dbraw/zinc/84/38/98/427843898.db2.gz REBRBMHGUGRLOX-GHMZBOCLSA-N 1 0 309.366 2.507 20 5 DFBDRO Cc1cc(N2CC[C@H]([NH+](C)C)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302001331 427847530 /nfs/dbraw/zinc/84/75/30/427847530.db2.gz JFJAFBQMHQEFGE-LBPRGKRZSA-N 1 0 300.362 2.592 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(CC[NH+](C)C)CC(C)C ZINC000345700736 427867473 /nfs/dbraw/zinc/86/74/73/427867473.db2.gz VOLOWSPRVDDBOQ-UHFFFAOYSA-N 1 0 307.394 2.563 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000337372786 427869338 /nfs/dbraw/zinc/86/93/38/427869338.db2.gz PLXIVYVUHRYBDQ-QWHCGFSZSA-N 1 0 320.393 2.979 20 5 DFBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000302791722 427870844 /nfs/dbraw/zinc/87/08/44/427870844.db2.gz YQLAAPUSHAPIID-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COCC[N@@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302786111 427871744 /nfs/dbraw/zinc/87/17/44/427871744.db2.gz VUPFXAUFAGSHDA-NSHDSACASA-N 1 0 313.785 2.628 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CCOC(C)C)cc1[N+](=O)[O-] ZINC000349857376 427882492 /nfs/dbraw/zinc/88/24/92/427882492.db2.gz UNPGWADKGNGBML-DZGCQCFKSA-N 1 0 310.394 2.730 20 5 DFBDRO C[C@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345769770 427897210 /nfs/dbraw/zinc/89/72/10/427897210.db2.gz CXXGOKBMHXQDKG-QWHCGFSZSA-N 1 0 319.405 2.676 20 5 DFBDRO C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC000340006219 427901341 /nfs/dbraw/zinc/90/13/41/427901341.db2.gz HXLGDXCWQGWGSM-LLVKDONJSA-N 1 0 310.313 2.734 20 5 DFBDRO CCOCCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000349964719 427909438 /nfs/dbraw/zinc/90/94/38/427909438.db2.gz KUQGMJMMTGMLTN-MRXNPFEDSA-N 1 0 308.378 2.531 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000337480376 427924049 /nfs/dbraw/zinc/92/40/49/427924049.db2.gz VKZFZXWOOCWWJR-WCQYABFASA-N 1 0 319.361 2.671 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000341046198 427976070 /nfs/dbraw/zinc/97/60/70/427976070.db2.gz AMKISGBQHBTLGK-OKILXGFUSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000413195217 427989065 /nfs/dbraw/zinc/98/90/65/427989065.db2.gz CJUDKBUOHRQSQW-NHYWBVRUSA-N 1 0 320.368 2.582 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@H]2C1 ZINC000413226093 427996261 /nfs/dbraw/zinc/99/62/61/427996261.db2.gz CWFWVCCYLWAMST-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341106305 427992225 /nfs/dbraw/zinc/99/22/25/427992225.db2.gz GREOVCSIQGJZNG-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO COc1ccc(C[C@@](C)([NH3+])CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000340756633 427937167 /nfs/dbraw/zinc/93/71/67/427937167.db2.gz WICMVUTZVYFYCV-QGZVFWFLSA-N 1 0 315.373 2.975 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ccncc2[N+](=O)[O-])C1 ZINC000340150324 427939599 /nfs/dbraw/zinc/93/95/99/427939599.db2.gz HRWVNMVOWGIXNR-MGPQQGTHSA-N 1 0 304.394 2.831 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000359839869 428039816 /nfs/dbraw/zinc/03/98/16/428039816.db2.gz RCJXSOBBXGYUDX-GFCCVEGCSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@]2(CCOC2)O1 ZINC000369707418 428041049 /nfs/dbraw/zinc/04/10/49/428041049.db2.gz SNSYUUTXRGQMLV-NVXWUHKLSA-N 1 0 320.389 2.673 20 5 DFBDRO C[NH+](C)CCN(Cc1ccsc1)c1ccc([N+](=O)[O-])nc1 ZINC000413444579 428049588 /nfs/dbraw/zinc/04/95/88/428049588.db2.gz FZLGLGLZPJXWOJ-UHFFFAOYSA-N 1 0 306.391 2.620 20 5 DFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC1 ZINC000413243464 428000130 /nfs/dbraw/zinc/00/01/30/428000130.db2.gz IXKFAHCVDSLAPE-UHFFFAOYSA-N 1 0 318.299 2.905 20 5 DFBDRO C[NH+](C)CCc1ccc(CNc2ncc([N+](=O)[O-])cc2F)cc1 ZINC000413255541 428003407 /nfs/dbraw/zinc/00/34/07/428003407.db2.gz JBHXDRPOUYXSKH-UHFFFAOYSA-N 1 0 318.352 2.845 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000340367776 428003646 /nfs/dbraw/zinc/00/36/46/428003646.db2.gz APHRXMFBIGWJGC-CZUORRHYSA-N 1 0 306.362 2.806 20 5 DFBDRO CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000359778518 428015076 /nfs/dbraw/zinc/01/50/76/428015076.db2.gz OWSUCBDXIXYYBX-JTQLQIEISA-N 1 0 313.423 2.815 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377179786 428080003 /nfs/dbraw/zinc/08/00/03/428080003.db2.gz PMORSCUBOOKOJN-SWLSCSKDSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@H](CO)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000351517623 428095695 /nfs/dbraw/zinc/09/56/95/428095695.db2.gz OQPVJOBNHNPDLB-CYBMUJFWSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000356286968 428106565 /nfs/dbraw/zinc/10/65/65/428106565.db2.gz SQKBRZMAAAAAGN-ABAIWWIYSA-N 1 0 323.368 2.536 20 5 DFBDRO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046231 428119224 /nfs/dbraw/zinc/11/92/24/428119224.db2.gz QHYIKHQQYIMRLD-JQWIXIFHSA-N 1 0 306.391 2.768 20 5 DFBDRO C[C@@H]1C[C@@H](c2cccs2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370046817 428121031 /nfs/dbraw/zinc/12/10/31/428121031.db2.gz TZUOCQKBEGAZDK-GHMZBOCLSA-N 1 0 306.391 2.768 20 5 DFBDRO CCC[N@H+](CC)CCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352362481 428135416 /nfs/dbraw/zinc/13/54/16/428135416.db2.gz VTHZTTJDPZURQM-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DFBDRO C[C@H](CNc1nc2ccccc2cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000352367112 428135609 /nfs/dbraw/zinc/13/56/09/428135609.db2.gz LMZMQNLXLTVNOZ-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352541285 428141689 /nfs/dbraw/zinc/14/16/89/428141689.db2.gz VZJBBJODJSWXPC-ZIAGYGMSSA-N 1 0 306.362 2.604 20 5 DFBDRO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352541509 428142792 /nfs/dbraw/zinc/14/27/92/428142792.db2.gz YNWOJJCIXFTZIX-OAHLLOKOSA-N 1 0 319.405 2.521 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c(F)c1 ZINC000352609533 428167593 /nfs/dbraw/zinc/16/75/93/428167593.db2.gz UMRRLZFSNJYSQP-JSGCOSHPSA-N 1 0 308.353 2.982 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)c1 ZINC000360147868 428180213 /nfs/dbraw/zinc/18/02/13/428180213.db2.gz KIUHHAOSGBPEGG-UHFFFAOYSA-N 1 0 321.377 2.669 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000352690936 428205819 /nfs/dbraw/zinc/20/58/19/428205819.db2.gz HWVJVGPBPMURLT-UHFFFAOYSA-N 1 0 312.341 2.755 20 5 DFBDRO COc1ccc(C[C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000414106147 428208445 /nfs/dbraw/zinc/20/84/45/428208445.db2.gz QNUFFOBAMGEVHK-ZDUSSCGKSA-N 1 0 315.373 2.762 20 5 DFBDRO Cn1cnc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000414127099 428214298 /nfs/dbraw/zinc/21/42/98/428214298.db2.gz PJFFUGRLDBWYNS-MRXNPFEDSA-N 1 0 300.362 2.538 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360230433 428214406 /nfs/dbraw/zinc/21/44/06/428214406.db2.gz OJBBALSLLTXBOA-SWLSCSKDSA-N 1 0 323.368 2.647 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCc2cn(C)cn2)cc1[N+](=O)[O-] ZINC000414128115 428215711 /nfs/dbraw/zinc/21/57/11/428215711.db2.gz RBWVWHXLCBXCDE-GFCCVEGCSA-N 1 0 318.377 2.620 20 5 DFBDRO COCC[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000414185685 428227458 /nfs/dbraw/zinc/22/74/58/428227458.db2.gz CICYDIWARQFXCC-STQMWFEESA-N 1 0 323.393 2.574 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414222074 428237134 /nfs/dbraw/zinc/23/71/34/428237134.db2.gz DYMYEXNXRAOIRH-WZRBSPASSA-N 1 0 323.418 2.796 20 5 DFBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ncccc3[N+](=O)[O-])C2)c1 ZINC000360355273 428265176 /nfs/dbraw/zinc/26/51/76/428265176.db2.gz OJYMJHCFSWIFLW-CYBMUJFWSA-N 1 0 313.361 2.632 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000352881000 428293327 /nfs/dbraw/zinc/29/33/27/428293327.db2.gz YWRRPASJLZZLJG-CABCVRRESA-N 1 0 322.405 2.989 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000370579475 428243765 /nfs/dbraw/zinc/24/37/65/428243765.db2.gz KLAKJBRVXKGVFJ-CZUORRHYSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(=O)c1cc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000370589415 428247095 /nfs/dbraw/zinc/24/70/95/428247095.db2.gz PXZOUYNVJGFSEA-UHFFFAOYSA-N 1 0 317.389 2.862 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000377889738 428257136 /nfs/dbraw/zinc/25/71/36/428257136.db2.gz QEZBVHWDNVYHMN-UHFFFAOYSA-N 1 0 313.348 2.676 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)c2ccncc21 ZINC000360466423 428310266 /nfs/dbraw/zinc/31/02/66/428310266.db2.gz LZFWXIFQBDBEAZ-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO CCC(CC)(C[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-])OC ZINC000291676127 273601812 /nfs/dbraw/zinc/60/18/12/273601812.db2.gz HCEOMIXGAWCECD-UHFFFAOYSA-N 1 0 312.366 2.604 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnc(C)[nH]c2=O)cc1[N+](=O)[O-] ZINC000346795810 428321918 /nfs/dbraw/zinc/32/19/18/428321918.db2.gz NNEGCPGICWWEAN-SNVBAGLBSA-N 1 0 302.334 2.558 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000353020046 428355712 /nfs/dbraw/zinc/35/57/12/428355712.db2.gz NSSJDPXNVAVMKS-OCCSQVGLSA-N 1 0 319.405 2.931 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000346808860 428327721 /nfs/dbraw/zinc/32/77/21/428327721.db2.gz OGVASHDIQATAFL-YCPHGPKFSA-N 1 0 305.422 2.988 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414524867 428330620 /nfs/dbraw/zinc/33/06/20/428330620.db2.gz ISEDNDNDUNOWFP-OAHLLOKOSA-N 1 0 318.348 2.908 20 5 DFBDRO CC[C@@H](C(=O)NCc1cccc([N+](=O)[O-])c1C)[NH+](CC)CC ZINC000360526075 428333171 /nfs/dbraw/zinc/33/31/71/428333171.db2.gz ROKJYFYHOWCIMF-AWEZNQCLSA-N 1 0 307.394 2.640 20 5 DFBDRO COc1ccc(C[NH2+]CCc2nc(C)oc2C)cc1[N+](=O)[O-] ZINC000346831577 428337388 /nfs/dbraw/zinc/33/73/88/428337388.db2.gz PLAPGFMJXJDRJQ-UHFFFAOYSA-N 1 0 305.334 2.541 20 5 DFBDRO CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000353133560 428396520 /nfs/dbraw/zinc/39/65/20/428396520.db2.gz GAOMVSCHSJAIPI-UKRRQHHQSA-N 1 0 323.368 2.517 20 5 DFBDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000353165593 428411416 /nfs/dbraw/zinc/41/14/16/428411416.db2.gz BBJRCMRIKNVWRY-GFCCVEGCSA-N 1 0 323.368 2.615 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](COC(F)F)C2)c1 ZINC000353024561 428360015 /nfs/dbraw/zinc/36/00/15/428360015.db2.gz PEARUTBFHLFXFO-NSHDSACASA-N 1 0 316.304 2.535 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c2c(c1)COCO2 ZINC000378315474 428362347 /nfs/dbraw/zinc/36/23/47/428362347.db2.gz IZVSPTUJYKSCPA-GFCCVEGCSA-N 1 0 304.346 2.693 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414654799 428365995 /nfs/dbraw/zinc/36/59/95/428365995.db2.gz GOUAYHNDJVMWKR-UHFFFAOYSA-N 1 0 320.393 2.968 20 5 DFBDRO C[C@@H]1C[C@H](C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC[NH2+]1 ZINC000414682027 428373512 /nfs/dbraw/zinc/37/35/12/428373512.db2.gz XKCFXQMOXWDWIX-ZIAGYGMSSA-N 1 0 303.406 2.947 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cccc([N+](=O)[O-])c1 ZINC000378404825 428387104 /nfs/dbraw/zinc/38/71/04/428387104.db2.gz PWNPYOXHMAPEDG-RUAUBTSSSA-N 1 0 317.389 2.645 20 5 DFBDRO CCC[NH2+]CCN[C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000414874900 428441795 /nfs/dbraw/zinc/44/17/95/428441795.db2.gz SZPUVSKPKNZGJD-HOCLYGCPSA-N 1 0 305.422 2.895 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000372408122 428441944 /nfs/dbraw/zinc/44/19/44/428441944.db2.gz GBZWOOLMSDPRGV-OCCSQVGLSA-N 1 0 305.378 2.613 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000372408121 428444268 /nfs/dbraw/zinc/44/42/68/428444268.db2.gz GBZWOOLMSDPRGV-JSGCOSHPSA-N 1 0 305.378 2.613 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000395694290 428495029 /nfs/dbraw/zinc/49/50/29/428495029.db2.gz AILFWXRBNNIZKO-CYBMUJFWSA-N 1 0 307.394 2.577 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000372933561 428508849 /nfs/dbraw/zinc/50/88/49/428508849.db2.gz ZYULMRRHQHKTKK-HOTGVXAUSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)nc(C)n1 ZINC000343141164 428525330 /nfs/dbraw/zinc/52/53/30/428525330.db2.gz PQLOXHZQKCTBHO-UHFFFAOYSA-N 1 0 323.356 2.892 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1ccccc1F ZINC000415121305 428526833 /nfs/dbraw/zinc/52/68/33/428526833.db2.gz JVDXVTMRLVCBGH-GOEBONIOSA-N 1 0 315.348 2.661 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000414959099 428473137 /nfs/dbraw/zinc/47/31/37/428473137.db2.gz RTMWVCTVVNKXQP-SFHVURJKSA-N 1 0 311.385 2.880 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415485863 428587655 /nfs/dbraw/zinc/58/76/55/428587655.db2.gz QYTBUIFIOXTYDU-UHFFFAOYSA-N 1 0 308.382 2.660 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000415490806 428588644 /nfs/dbraw/zinc/58/86/44/428588644.db2.gz AJTQILNXBATUCF-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415491396 428589800 /nfs/dbraw/zinc/58/98/00/428589800.db2.gz ZOBNNZXVOUBJSY-OLZOCXBDSA-N 1 0 320.393 2.851 20 5 DFBDRO C[NH2+]CCCN(C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415138019 428534369 /nfs/dbraw/zinc/53/43/69/428534369.db2.gz UWMLSQPUOFLORJ-UHFFFAOYSA-N 1 0 303.362 2.896 20 5 DFBDRO CC[C@@H](C)[NH2+][C@@H](CNc1ncc([N+](=O)[O-])s1)c1ccco1 ZINC000343249910 428541711 /nfs/dbraw/zinc/54/17/11/428541711.db2.gz FISWEDKBPMPRHG-ZJUUUORDSA-N 1 0 310.379 3.186 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000415296082 428562940 /nfs/dbraw/zinc/56/29/40/428562940.db2.gz MKHIPTFNUGFHLT-STQMWFEESA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CC(C)(C)C[NH3+] ZINC000415307768 428564361 /nfs/dbraw/zinc/56/43/61/428564361.db2.gz ZCVZOABYJOKHPW-UHFFFAOYSA-N 1 0 308.382 2.660 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000415297307 428565934 /nfs/dbraw/zinc/56/59/34/428565934.db2.gz NKWJEDLHVQZFIO-CYBMUJFWSA-N 1 0 318.377 2.570 20 5 DFBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](CC(N)=O)c1ccccc1 ZINC000361467850 428569943 /nfs/dbraw/zinc/56/99/43/428569943.db2.gz DQDPQPFOHZQKQM-MRXNPFEDSA-N 1 0 313.357 2.643 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@@H](CO)C2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000353517725 428573657 /nfs/dbraw/zinc/57/36/57/428573657.db2.gz YTZBZBZSLHNOLI-LRDDRELGSA-N 1 0 304.390 2.925 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415579241 428599113 /nfs/dbraw/zinc/59/91/13/428599113.db2.gz JXQGLAMBUIOCQZ-CYBMUJFWSA-N 1 0 308.382 2.707 20 5 DFBDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccn1 ZINC000347547901 428600169 /nfs/dbraw/zinc/60/01/69/428600169.db2.gz YLMUWNYXXWFNKK-LLVKDONJSA-N 1 0 317.345 2.858 20 5 DFBDRO COc1cc([C@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)ccn1 ZINC000347547902 428601260 /nfs/dbraw/zinc/60/12/60/428601260.db2.gz YLMUWNYXXWFNKK-NSHDSACASA-N 1 0 317.345 2.858 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344014267 428606003 /nfs/dbraw/zinc/60/60/03/428606003.db2.gz WKRFKCXPCLQVCQ-YPMHNXCESA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347573359 428607111 /nfs/dbraw/zinc/60/71/11/428607111.db2.gz VJRBFZYNVNJUJR-UPJWGTAASA-N 1 0 305.378 2.900 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000408147642 428608998 /nfs/dbraw/zinc/60/89/98/428608998.db2.gz HBXPFWBAWVUOPP-OLZOCXBDSA-N 1 0 320.393 2.768 20 5 DFBDRO C[NH2+][C@@H]1CCCN(c2cc(Br)ccc2[N+](=O)[O-])C1 ZINC000087834843 273971897 /nfs/dbraw/zinc/97/18/97/273971897.db2.gz OOIKBTUQWAGGAW-SNVBAGLBSA-N 1 0 314.183 2.546 20 5 DFBDRO CCC(CC)[N@H+](CC)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000344033809 428615118 /nfs/dbraw/zinc/61/51/18/428615118.db2.gz QUADWSVTBKYPTC-UHFFFAOYSA-N 1 0 319.405 2.994 20 5 DFBDRO CO[C@@]1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000373604969 428619293 /nfs/dbraw/zinc/61/92/93/428619293.db2.gz UMISIQGOZOOZAF-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO COc1cc(N2CCC([NH+]3CCCC3)CC2)c([N+](=O)[O-])cc1F ZINC000301635636 274096247 /nfs/dbraw/zinc/09/62/47/274096247.db2.gz WJLXRTYAZJYTDR-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO Cc1nn(C)c(NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000373741263 428644012 /nfs/dbraw/zinc/64/40/12/428644012.db2.gz AMGCUTXUTNWTBS-CQSZACIVSA-N 1 0 321.425 2.846 20 5 DFBDRO COc1cccc(NC[C@H]2[NH2+]CCc3ccccc32)c1[N+](=O)[O-] ZINC000261870814 274148326 /nfs/dbraw/zinc/14/83/26/274148326.db2.gz LJGKZRRKEYUHTK-OAHLLOKOSA-N 1 0 313.357 2.902 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057270 274307886 /nfs/dbraw/zinc/30/78/86/274307886.db2.gz ZROCDTRDXYFLNM-XFBWCDHKSA-N 1 0 303.406 2.905 20 5 DFBDRO C[NH+]1CCC2(CCCN(C(=O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000374164574 428668536 /nfs/dbraw/zinc/66/85/36/428668536.db2.gz RZPRZAZGCOAFBG-UHFFFAOYSA-N 1 0 317.389 2.543 20 5 DFBDRO COc1cc(C[N@@H+](C[C@H](C)OC)C(C)C)c([N+](=O)[O-])cc1F ZINC000362328941 428704550 /nfs/dbraw/zinc/70/45/50/428704550.db2.gz XIBTVIMSSRKHGF-NSHDSACASA-N 1 0 314.357 2.988 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2C[C@@H]2C(F)F)n1 ZINC000348314289 428705406 /nfs/dbraw/zinc/70/54/06/428705406.db2.gz WGBCQBKNHBZZAH-UKKRHICBSA-N 1 0 300.309 2.518 20 5 DFBDRO CO[C@H](C)C[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000353782326 428711349 /nfs/dbraw/zinc/71/13/49/428711349.db2.gz TVRJGQCUAVTGKA-GFCCVEGCSA-N 1 0 324.377 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374611061 428712788 /nfs/dbraw/zinc/71/27/88/428712788.db2.gz ILJIRRAADJXCGR-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000229597705 274420543 /nfs/dbraw/zinc/42/05/43/274420543.db2.gz UCCBAEFZZJGESS-GZMMTYOYSA-N 1 0 314.183 2.910 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000374691359 428732350 /nfs/dbraw/zinc/73/23/50/428732350.db2.gz CSDKENDHCGYLEI-OAHLLOKOSA-N 1 0 308.378 2.994 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000353743957 428690091 /nfs/dbraw/zinc/69/00/91/428690091.db2.gz ZFYBJNRQKWCJET-UHFFFAOYSA-N 1 0 322.361 2.569 20 5 DFBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411222564 428760965 /nfs/dbraw/zinc/76/09/65/428760965.db2.gz WLOMKYLZFKINEO-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO Nc1c(C(=O)Nc2ccc(-n3ccnc3)cc2)cccc1[N+](=O)[O-] ZINC000362490328 428768352 /nfs/dbraw/zinc/76/83/52/428768352.db2.gz QWSQXROLONWBBV-UHFFFAOYSA-N 1 0 323.312 2.615 20 5 DFBDRO CCOc1cc(N2C[C@H](C)[N@H+](CC)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000345170552 428781972 /nfs/dbraw/zinc/78/19/72/428781972.db2.gz ILKVTFDQILJLAK-QWHCGFSZSA-N 1 0 307.394 2.912 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000411359619 428782947 /nfs/dbraw/zinc/78/29/47/428782947.db2.gz DWPJDFVUIRYNKC-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000362447652 428749654 /nfs/dbraw/zinc/74/96/54/428749654.db2.gz CQLCCHOERAFLRZ-WMLDXEAASA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cc1[N+](=O)[O-] ZINC000353985978 428805551 /nfs/dbraw/zinc/80/55/51/428805551.db2.gz FWSNCWMSLWVWJE-OAHLLOKOSA-N 1 0 313.357 2.952 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000353997981 428809138 /nfs/dbraw/zinc/80/91/38/428809138.db2.gz UCDQHVZYGCQIPE-BIENSFFJSA-N 1 0 302.374 2.987 20 5 DFBDRO C[C@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000354003134 428813965 /nfs/dbraw/zinc/81/39/65/428813965.db2.gz RLGMXEKWJSRXIG-ZDUSSCGKSA-N 1 0 319.405 2.926 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412013536 428907925 /nfs/dbraw/zinc/90/79/25/428907925.db2.gz OQGYPLYPHNDPSX-UHFFFAOYSA-N 1 0 316.401 2.872 20 5 DFBDRO COC(=O)CC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000345354630 428857691 /nfs/dbraw/zinc/85/76/91/428857691.db2.gz XHNCLLNZSDLHJT-LBPRGKRZSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@@H]1CSc2ccccc2C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000375393201 428873521 /nfs/dbraw/zinc/87/35/21/428873521.db2.gz PVBNYDCVXQWAII-GFCCVEGCSA-N 1 0 318.402 2.788 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000363187353 428879393 /nfs/dbraw/zinc/87/93/93/428879393.db2.gz LMPXWEYUXGZVAG-AWEZNQCLSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000363206411 428881249 /nfs/dbraw/zinc/88/12/49/428881249.db2.gz JANOGVXOCLGISX-UHFFFAOYSA-N 1 0 320.393 2.790 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2C2CCOCC2)c1 ZINC000348951393 428885192 /nfs/dbraw/zinc/88/51/92/428885192.db2.gz RPEJBWWYRYXFTF-QGZVFWFLSA-N 1 0 320.389 2.865 20 5 DFBDRO COc1cc(C[NH2+][C@H](C)[C@@](C)(OC)C2CC2)ccc1[N+](=O)[O-] ZINC000411975881 428899859 /nfs/dbraw/zinc/89/98/59/428899859.db2.gz VVHITWNXFVSGGU-BDJLRTHQSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000418234349 428905777 /nfs/dbraw/zinc/90/57/77/428905777.db2.gz QFQSYUNKNNAUKG-SLEUVZQESA-N 1 0 320.393 2.567 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000363449842 428915306 /nfs/dbraw/zinc/91/53/06/428915306.db2.gz NGDVEMDRPSPMMX-DLBZAZTESA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000412035540 428916701 /nfs/dbraw/zinc/91/67/01/428916701.db2.gz FYCXMXMFAUCDRP-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000412040838 428921206 /nfs/dbraw/zinc/92/12/06/428921206.db2.gz KSWAWBCMWLHRDT-LBPRGKRZSA-N 1 0 305.378 2.678 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000354226169 428925705 /nfs/dbraw/zinc/92/57/05/428925705.db2.gz VCMQEDSYLOEKDB-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000419012093 428927649 /nfs/dbraw/zinc/92/76/49/428927649.db2.gz UZZFVHQTGQHDND-UHFFFAOYSA-N 1 0 312.373 3.163 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000363580675 428946277 /nfs/dbraw/zinc/94/62/77/428946277.db2.gz APNAKARRKUTMMC-ZDUSSCGKSA-N 1 0 317.389 2.650 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000345585765 428946346 /nfs/dbraw/zinc/94/63/46/428946346.db2.gz UUQUKKFAGLJJFR-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420200116 428948822 /nfs/dbraw/zinc/94/88/22/428948822.db2.gz ZBHTXSWQFSWSBG-LBPRGKRZSA-N 1 0 306.391 3.114 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420212463 428948978 /nfs/dbraw/zinc/94/89/78/428948978.db2.gz XXCNBCGMKHWKOE-KGLIPLIRSA-N 1 0 312.373 3.196 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-] ZINC000349247534 428949682 /nfs/dbraw/zinc/94/96/82/428949682.db2.gz PAIVMJVVFBRYMH-TZMCWYRMSA-N 1 0 319.405 2.881 20 5 DFBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CCC1 ZINC000420228049 428950680 /nfs/dbraw/zinc/95/06/80/428950680.db2.gz KHRICYOBSXVXLN-UHFFFAOYSA-N 1 0 316.336 3.089 20 5 DFBDRO Cc1nc(C)n([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)n1 ZINC000375784114 428972040 /nfs/dbraw/zinc/97/20/40/428972040.db2.gz BATAJHADICAJSM-INIZCTEOSA-N 1 0 315.377 2.640 20 5 DFBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000363632941 428957939 /nfs/dbraw/zinc/95/79/39/428957939.db2.gz LKPXNZVQGRMOPL-SJORKVTESA-N 1 0 317.389 2.570 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780469 428972695 /nfs/dbraw/zinc/97/26/95/428972695.db2.gz NGPZJLPWOQZZMJ-AWEZNQCLSA-N 1 0 310.394 2.832 20 5 DFBDRO Cc1nc([C@@H]2CCCN(Cc3ccccc3[N+](=O)[O-])C2)no1 ZINC000375766835 428965182 /nfs/dbraw/zinc/96/51/82/428965182.db2.gz YENOVPBRJUELEJ-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000375768475 428966065 /nfs/dbraw/zinc/96/60/65/428966065.db2.gz NRHMQXFIVXRWNX-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000354869993 429018037 /nfs/dbraw/zinc/01/80/37/429018037.db2.gz QWYCCUQLOKFLNB-QWRGUYRKSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000421740200 429025160 /nfs/dbraw/zinc/02/51/60/429025160.db2.gz HZYPXHZKKBEMLX-UHFFFAOYSA-N 1 0 319.405 2.814 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(CC)CCC[NH+](C)C ZINC000349380061 428979198 /nfs/dbraw/zinc/97/91/98/428979198.db2.gz CZPBFPNXZAWHJG-UHFFFAOYSA-N 1 0 309.410 2.767 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000354435476 428984974 /nfs/dbraw/zinc/98/49/74/428984974.db2.gz PGTLWKDGHKXPNX-ZIAGYGMSSA-N 1 0 319.405 2.848 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000433061153 428990328 /nfs/dbraw/zinc/99/03/28/428990328.db2.gz JEUADCPYUWRIFM-OAHLLOKOSA-N 1 0 300.362 2.671 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000421401050 428995027 /nfs/dbraw/zinc/99/50/27/428995027.db2.gz KZHLOTBWAXCFQF-ZDUSSCGKSA-N 1 0 308.378 2.577 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451869681 429003126 /nfs/dbraw/zinc/00/31/26/429003126.db2.gz SDYWKJJLTWEEOH-CVEARBPZSA-N 1 0 320.389 2.993 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CCNCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475892 429093833 /nfs/dbraw/zinc/09/38/33/429093833.db2.gz KSBCKXQRURCWTM-TZMCWYRMSA-N 1 0 313.348 2.880 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1[N+](=O)[O-] ZINC000424137323 429096419 /nfs/dbraw/zinc/09/64/19/429096419.db2.gz LTHAPHBXJRUEDJ-OCCSQVGLSA-N 1 0 319.405 2.953 20 5 DFBDRO C[C@H]1CCC(C)(C)[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000452020381 429040741 /nfs/dbraw/zinc/04/07/41/429040741.db2.gz ZITYGSBPBXZWIU-QWHCGFSZSA-N 1 0 308.378 2.597 20 5 DFBDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000452069376 429046986 /nfs/dbraw/zinc/04/69/86/429046986.db2.gz DXLXICPDRIDOJH-GFCCVEGCSA-N 1 0 319.405 2.952 20 5 DFBDRO CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1 ZINC000423961120 429065245 /nfs/dbraw/zinc/06/52/45/429065245.db2.gz ZCTDVXFPQHGVIJ-HNNXBMFYSA-N 1 0 319.405 2.702 20 5 DFBDRO CCC[N@@H+]1CCCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000376222723 429078582 /nfs/dbraw/zinc/07/85/82/429078582.db2.gz RAWNRSQHIVYQFP-UHFFFAOYSA-N 1 0 321.406 2.522 20 5 DFBDRO CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000424033453 429080221 /nfs/dbraw/zinc/08/02/21/429080221.db2.gz LOBQRJAUMDIBAC-CYBMUJFWSA-N 1 0 323.418 2.507 20 5 DFBDRO CCOCC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000434633638 429099664 /nfs/dbraw/zinc/09/96/64/429099664.db2.gz KAYOBGXEMNZXLF-INIZCTEOSA-N 1 0 310.394 2.593 20 5 DFBDRO COC(=O)CC1CC([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000424302959 429123279 /nfs/dbraw/zinc/12/32/79/429123279.db2.gz NDEWLEUJFKQIOF-UHFFFAOYSA-N 1 0 320.389 2.849 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376516624 429126893 /nfs/dbraw/zinc/12/68/93/429126893.db2.gz CRUKAJAUQRCNRM-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(C)c1[nH]nc(-c2nc(C3([NH3+])CCCCC3)no2)c1[N+](=O)[O-] ZINC000424350485 429130323 /nfs/dbraw/zinc/13/03/23/429130323.db2.gz XHKWVQTZWIONPB-UHFFFAOYSA-N 1 0 320.353 2.609 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363877810 429131056 /nfs/dbraw/zinc/13/10/56/429131056.db2.gz XAAMUSYEXZKEFM-AWEZNQCLSA-N 1 0 314.389 2.701 20 5 DFBDRO Cc1ccsc1[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000494654923 429136582 /nfs/dbraw/zinc/13/65/82/429136582.db2.gz ZBLKOCSAJFPPNP-AWEZNQCLSA-N 1 0 306.387 2.830 20 5 DFBDRO COc1ccc(-c2ccc(CN(C)[C@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435386676 429137585 /nfs/dbraw/zinc/13/75/85/429137585.db2.gz UYJLVKWYAHSBAK-LLVKDONJSA-N 1 0 319.361 2.642 20 5 DFBDRO C[NH+](C)[C@H](CNc1nccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413124471 429142269 /nfs/dbraw/zinc/14/22/69/429142269.db2.gz OUAKHPWUNUAHFS-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1cc(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000487200899 429142527 /nfs/dbraw/zinc/14/25/27/429142527.db2.gz PVRSCHMBFKSYJA-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000299427429 274997605 /nfs/dbraw/zinc/99/76/05/274997605.db2.gz WQKAWVADETZSSO-OAHLLOKOSA-N 1 0 318.377 2.687 20 5 DFBDRO O=C1[C@@H]([N@@H+]2CCC3(CCC3)C2)CCN1c1cccc([N+](=O)[O-])c1 ZINC000123342756 275027461 /nfs/dbraw/zinc/02/74/61/275027461.db2.gz LKDOPWXJFKJGIR-HNNXBMFYSA-N 1 0 315.373 2.576 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1C(F)(F)F ZINC000320012595 275036828 /nfs/dbraw/zinc/03/68/28/275036828.db2.gz GOOGTKLEIXWBRV-CABZTGNLSA-N 1 0 315.295 2.802 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(F)c1 ZINC000301378663 275037022 /nfs/dbraw/zinc/03/70/22/275037022.db2.gz XKVQZUDXRGIBKB-CORIIIEPSA-N 1 0 305.353 2.654 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+](C[C@H](O)C1CCCCC1)CC2 ZINC000332585204 275037637 /nfs/dbraw/zinc/03/76/37/275037637.db2.gz HIAJZFZQVVBHMN-KRWDZBQOSA-N 1 0 304.390 2.894 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CCC2 ZINC000365735534 275038044 /nfs/dbraw/zinc/03/80/44/275038044.db2.gz LMGCRYOAOHMAPL-CJNGLKHVSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CCC2 ZINC000193023973 275038058 /nfs/dbraw/zinc/03/80/58/275038058.db2.gz VYAIXDUUYCNPAB-DYVFJYSZSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1ccccc1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173881319 275039851 /nfs/dbraw/zinc/03/98/51/275039851.db2.gz JCXBTROHMRWUCV-OAHLLOKOSA-N 1 0 303.406 2.903 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1N1CC[NH+](CC2CC2)CC1 ZINC000291658744 275041913 /nfs/dbraw/zinc/04/19/13/275041913.db2.gz OMDOTHPCSZSVIL-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000364311665 429180152 /nfs/dbraw/zinc/18/01/52/429180152.db2.gz WTQHGFBSGSHISA-JLJPHGGASA-N 1 0 320.389 2.892 20 5 DFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000364613708 429234396 /nfs/dbraw/zinc/23/43/96/429234396.db2.gz ZXYFTOOYNMATQA-CYBMUJFWSA-N 1 0 317.389 2.822 20 5 DFBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682172 429250106 /nfs/dbraw/zinc/25/01/06/429250106.db2.gz NOOAZAUHVFALMM-YVEFUNNKSA-N 1 0 317.389 2.706 20 5 DFBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682170 429250178 /nfs/dbraw/zinc/25/01/78/429250178.db2.gz NOOAZAUHVFALMM-SJCJKPOMSA-N 1 0 317.389 2.706 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000425274112 429256658 /nfs/dbraw/zinc/25/66/58/429256658.db2.gz KQBLQLFOBXBYMQ-DOTOQJQBSA-N 1 0 324.384 2.701 20 5 DFBDRO COc1ccc(C[NH2+]CCN2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000444010844 429262522 /nfs/dbraw/zinc/26/25/22/429262522.db2.gz HRLZGTHBQQBBAE-UHFFFAOYSA-N 1 0 321.421 2.815 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC12CCCC2 ZINC000365513862 429332924 /nfs/dbraw/zinc/33/29/24/429332924.db2.gz LPUBJEPKMWJMIM-AWEZNQCLSA-N 1 0 320.389 2.743 20 5 DFBDRO CC(C)([NH2+]C[C@@H]1CC2(CCC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000292195894 275552380 /nfs/dbraw/zinc/55/23/80/275552380.db2.gz RVAUBOMLEKYLPZ-LBPRGKRZSA-N 1 0 318.373 2.905 20 5 DFBDRO CCc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000456384804 429293493 /nfs/dbraw/zinc/29/34/93/429293493.db2.gz QJZAMBIQZGSLES-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO Cc1cc(C2=CC[N@H+](C[C@H]3CCOC3)CC2)cc([N+](=O)[O-])c1N ZINC000365884093 429395613 /nfs/dbraw/zinc/39/56/13/429395613.db2.gz IFMAIWFFUNYQQN-CYBMUJFWSA-N 1 0 317.389 2.611 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000127391115 275603074 /nfs/dbraw/zinc/60/30/74/275603074.db2.gz YRRYQDCHFWSESZ-CQSZACIVSA-N 1 0 313.785 2.742 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)Cc2cccc(F)c2)c(F)c1 ZINC000449363713 429399353 /nfs/dbraw/zinc/39/93/53/429399353.db2.gz QIYATRYSPKTSSI-HNNXBMFYSA-N 1 0 322.311 2.566 20 5 DFBDRO CC(C)N1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449194636 429355221 /nfs/dbraw/zinc/35/52/21/429355221.db2.gz VAURTIBPDHEAAS-LZWOXQAQSA-N 1 0 305.422 2.844 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC=Cc3ccncc3)nc2c1 ZINC000425995328 429358331 /nfs/dbraw/zinc/35/83/31/429358331.db2.gz LAEMKEKJTBRREH-UPHRSURJSA-N 1 0 309.329 2.669 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCc2c1cccc2[N+](=O)[O-] ZINC000449279140 429375301 /nfs/dbraw/zinc/37/53/01/429375301.db2.gz OFLPMMQXTITBFM-GFCCVEGCSA-N 1 0 305.378 2.508 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3CCO)co2)cc1 ZINC000426247728 429375705 /nfs/dbraw/zinc/37/57/05/429375705.db2.gz GLHGDOKPMIOTBR-AWEZNQCLSA-N 1 0 317.345 2.597 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000449509377 429438373 /nfs/dbraw/zinc/43/83/73/429438373.db2.gz OMPRKFKEWJLKMM-SJORKVTESA-N 1 0 304.390 2.790 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1[N+](=O)[O-] ZINC000449518645 429442792 /nfs/dbraw/zinc/44/27/92/429442792.db2.gz OQHGTAHACIBZHV-WMLDXEAASA-N 1 0 303.406 2.854 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000492001252 429449154 /nfs/dbraw/zinc/44/91/54/429449154.db2.gz MQOISWCLTRMRGN-YPUOHESYSA-N 1 0 323.368 2.594 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000427486319 429452174 /nfs/dbraw/zinc/45/21/74/429452174.db2.gz ISIGGEWDCDDLHR-CYBMUJFWSA-N 1 0 321.421 2.979 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000449423840 429413539 /nfs/dbraw/zinc/41/35/39/429413539.db2.gz OSXYDFXTWGPNMU-SUZMYJTESA-N 1 0 302.321 2.520 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(CF)CCOCC1 ZINC000449490019 429434181 /nfs/dbraw/zinc/43/41/81/429434181.db2.gz VSFCUJDUZPRBDV-ZDUSSCGKSA-N 1 0 310.369 2.882 20 5 DFBDRO O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1cc2ccccc2c2cccnc12 ZINC000366552830 429474628 /nfs/dbraw/zinc/47/46/28/429474628.db2.gz FJKCUKCBLGYLTI-KBPBESRZSA-N 1 0 323.371 2.818 20 5 DFBDRO C[C@H]1CN(Cc2cc(F)ccc2[N+](=O)[O-])C[C@]2(CCCOC2)O1 ZINC000366579667 429481696 /nfs/dbraw/zinc/48/16/96/429481696.db2.gz RKKHNDCEPIMGHK-LRDDRELGSA-N 1 0 324.352 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000366618325 429488399 /nfs/dbraw/zinc/48/83/99/429488399.db2.gz DTPGBMMLNUDJSN-CJNGLKHVSA-N 1 0 319.405 2.520 20 5 DFBDRO COCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000449740025 429493659 /nfs/dbraw/zinc/49/36/59/429493659.db2.gz DEGAWJVJQBMQCJ-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838322 429531050 /nfs/dbraw/zinc/53/10/50/429531050.db2.gz XKFNRZPSJUMNGM-HFBAOOFYSA-N 1 0 301.390 2.654 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000366835973 429523984 /nfs/dbraw/zinc/52/39/84/429523984.db2.gz CLHGBTSQYUOYSG-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCOC[C@H](C3CCC3)C2)cc1 ZINC000429005457 429570991 /nfs/dbraw/zinc/57/09/91/429570991.db2.gz GOOASOKFVLYIQI-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367071760 429571677 /nfs/dbraw/zinc/57/16/77/429571677.db2.gz CMMPUPMXALEEEZ-QGZVFWFLSA-N 1 0 320.389 2.996 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1c1ccco1 ZINC000367122562 429583085 /nfs/dbraw/zinc/58/30/85/429583085.db2.gz CMVKVORMRQAOOV-AWEZNQCLSA-N 1 0 317.345 2.577 20 5 DFBDRO COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908109 429538479 /nfs/dbraw/zinc/53/84/79/429538479.db2.gz CCPVVWABSMBRFB-WBMJQRKESA-N 1 0 322.336 2.509 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450390627 429616198 /nfs/dbraw/zinc/61/61/98/429616198.db2.gz OYZIGEUKIYJCOI-INIZCTEOSA-N 1 0 312.373 2.701 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429569611 429617588 /nfs/dbraw/zinc/61/75/88/429617588.db2.gz UAZYXMGPRWNMSL-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573957 429618858 /nfs/dbraw/zinc/61/88/58/429618858.db2.gz ONTKWMBSBBRWOC-VXGBXAGGSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000450285560 429592168 /nfs/dbraw/zinc/59/21/68/429592168.db2.gz NRIXPAOUPVZFBG-CYBMUJFWSA-N 1 0 319.365 2.781 20 5 DFBDRO C[NH+]1CCC(CNc2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450296407 429595182 /nfs/dbraw/zinc/59/51/82/429595182.db2.gz DUWASCHCMLPGRF-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO CN(C[C@H]1CC[N@H+](C)C1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450318295 429597994 /nfs/dbraw/zinc/59/79/94/429597994.db2.gz VPYXUJZUYFUIIW-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO C[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000525487305 429661716 /nfs/dbraw/zinc/66/17/16/429661716.db2.gz ATNMIQQOEGRMIT-AWEZNQCLSA-N 1 0 300.358 2.978 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430205905 429662706 /nfs/dbraw/zinc/66/27/06/429662706.db2.gz NMQBFEXOQYVHGT-UHFFFAOYSA-N 1 0 324.377 2.815 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430211105 429663234 /nfs/dbraw/zinc/66/32/34/429663234.db2.gz WXSVGGKKBSOWQO-OLZOCXBDSA-N 1 0 307.394 2.518 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000276464287 275997348 /nfs/dbraw/zinc/99/73/48/275997348.db2.gz XVRFQICDDRMATM-ZHACJKMWSA-N 1 0 319.405 2.798 20 5 DFBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430243448 429667486 /nfs/dbraw/zinc/66/74/86/429667486.db2.gz LMXTWGUUJNEEOT-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242352 429667856 /nfs/dbraw/zinc/66/78/56/429667856.db2.gz SDFOMMLKOPXEEI-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1CN1CC[NH+](C2CCC2)CC1 ZINC000493029672 429672629 /nfs/dbraw/zinc/67/26/29/429672629.db2.gz GAMWDRQQGIZAEY-UHFFFAOYSA-N 1 0 309.797 2.918 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367625176 429688887 /nfs/dbraw/zinc/68/88/87/429688887.db2.gz XDCZQXYRPQYVAC-XHSDSOJGSA-N 1 0 319.405 2.566 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493129836 429695129 /nfs/dbraw/zinc/69/51/29/429695129.db2.gz GCSYAQSAJUOACS-NEPJUHHUSA-N 1 0 309.797 2.917 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCOCC2 ZINC000186394636 276362658 /nfs/dbraw/zinc/36/26/58/276362658.db2.gz MADMBALRRRSSEK-CVEARBPZSA-N 1 0 320.389 2.659 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(OC(C)(C)C)c3)C[C@@H]21 ZINC000450782945 429697931 /nfs/dbraw/zinc/69/79/31/429697931.db2.gz ZNOSOZFYPWJXCW-DOMZBBRYSA-N 1 0 319.405 2.912 20 5 DFBDRO C[C@@H]1C[C@H](NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000493198356 429710043 /nfs/dbraw/zinc/71/00/43/429710043.db2.gz ZPNVPJHGKOGFRA-VKYBYORPSA-N 1 0 312.329 2.627 20 5 DFBDRO O=[N+]([O-])c1cnn([C@@H]2CCC[N@H+](C[C@@H]3Cc4ccccc43)C2)c1 ZINC000367868152 429733072 /nfs/dbraw/zinc/73/30/72/429733072.db2.gz ANSBBSXXXQTXAR-LSDHHAIUSA-N 1 0 312.373 2.768 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000493622676 429798061 /nfs/dbraw/zinc/79/80/61/429798061.db2.gz STVZRQNQOASHHP-TWGQIWQCSA-N 1 0 317.389 2.599 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3ccnc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000432149853 429805256 /nfs/dbraw/zinc/80/52/56/429805256.db2.gz YYSXEICIERYWON-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000368066521 429779645 /nfs/dbraw/zinc/77/96/45/429779645.db2.gz YBQIUJINRRLUGN-QGZVFWFLSA-N 1 0 322.405 2.834 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451492289 429835724 /nfs/dbraw/zinc/83/57/24/429835724.db2.gz CSUSQYURWBXZAB-VQISRLSMSA-N 1 0 308.378 2.753 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)cc1[N+](=O)[O-] ZINC000451506376 429838467 /nfs/dbraw/zinc/83/84/67/429838467.db2.gz VPCSROBVDZTOMK-KMUNFCNLSA-N 1 0 308.378 2.753 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000451548629 429850171 /nfs/dbraw/zinc/85/01/71/429850171.db2.gz VFJNEFGPMDIYKQ-WFASDCNBSA-N 1 0 308.378 2.850 20 5 DFBDRO Cn1cc(CC[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)cn1 ZINC000451548437 429850581 /nfs/dbraw/zinc/85/05/81/429850581.db2.gz NFDDHHSALBUAMF-INIZCTEOSA-N 1 0 314.389 2.750 20 5 DFBDRO COC(=O)C1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000451545179 429850672 /nfs/dbraw/zinc/85/06/72/429850672.db2.gz GVZISJKYNXOWRK-AWEZNQCLSA-N 1 0 318.373 2.727 20 5 DFBDRO CC(C)OC[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451551698 429851065 /nfs/dbraw/zinc/85/10/65/429851065.db2.gz UQFGPAIMGSFPMG-NVXWUHKLSA-N 1 0 322.405 2.560 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000451552818 429852516 /nfs/dbraw/zinc/85/25/16/429852516.db2.gz YZSMNQPBSGBRNO-IUODEOHRSA-N 1 0 308.378 2.850 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(C(=O)OC)CCC1 ZINC000272578130 276587025 /nfs/dbraw/zinc/58/70/25/276587025.db2.gz USRWGUKRMNLDON-AWEZNQCLSA-N 1 0 306.362 2.806 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451559478 429855573 /nfs/dbraw/zinc/85/55/73/429855573.db2.gz UFSNCTTUSPZKTN-OAHLLOKOSA-N 1 0 308.378 2.850 20 5 DFBDRO CCc1nnc(CN2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000451569886 429856801 /nfs/dbraw/zinc/85/68/01/429856801.db2.gz OXPJXVPBIKNMGR-CYBMUJFWSA-N 1 0 316.361 2.920 20 5 DFBDRO CC(C)[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])[C@@H](CO)C(C)C ZINC000451593646 429859256 /nfs/dbraw/zinc/85/92/56/429859256.db2.gz CZDLJFUFGLGLKS-WMLDXEAASA-N 1 0 324.421 2.852 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000451592823 429859707 /nfs/dbraw/zinc/85/97/07/429859707.db2.gz RNRTWZRSKHADAE-CVEARBPZSA-N 1 0 320.389 2.849 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cc1 ZINC000451617696 429862879 /nfs/dbraw/zinc/86/28/79/429862879.db2.gz YGVUMNPRNORJAS-DLBZAZTESA-N 1 0 304.390 2.524 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000432310408 429813794 /nfs/dbraw/zinc/81/37/94/429813794.db2.gz AWXIDVJAHLFDCQ-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@@H]1CN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000432325077 429814869 /nfs/dbraw/zinc/81/48/69/429814869.db2.gz JNBVSVQWGVLSTQ-ABAIWWIYSA-N 1 0 300.362 2.529 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451744417 429882683 /nfs/dbraw/zinc/88/26/83/429882683.db2.gz VXAAWHCURFKBSX-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCC2(CC[NH2+]CC2)C1 ZINC000368806774 429896194 /nfs/dbraw/zinc/89/61/94/429896194.db2.gz PERFGINSQCOUMR-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO COc1cc(C[N@@H+]2CCSC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000451658504 429870058 /nfs/dbraw/zinc/87/00/58/429870058.db2.gz XUYSWPQTHNNNSE-AWEZNQCLSA-N 1 0 308.403 2.931 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690211 429986370 /nfs/dbraw/zinc/98/63/70/429986370.db2.gz APMZWOTWIYHOTO-UONOGXRCSA-N 1 0 319.405 2.546 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000560201541 430027699 /nfs/dbraw/zinc/02/76/99/430027699.db2.gz XFOQXIGNHGUQCB-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000560267897 430028486 /nfs/dbraw/zinc/02/84/86/430028486.db2.gz WQWASENAIIJPDD-WOSRLPQWSA-N 1 0 324.421 2.712 20 5 DFBDRO COc1cc(F)cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000562656661 430161584 /nfs/dbraw/zinc/16/15/84/430161584.db2.gz BUDBVLQDRAXRKA-UHFFFAOYSA-N 1 0 320.320 2.911 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000562692150 430167611 /nfs/dbraw/zinc/16/76/11/430167611.db2.gz SVKXZCPINUZIGH-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO CC(C)[N@H+](C)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000562721612 430173475 /nfs/dbraw/zinc/17/34/75/430173475.db2.gz FXKXVIDFCRPQKY-UHFFFAOYSA-N 1 0 310.373 2.686 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCCO[C@@H]1CCCCO1)C2 ZINC000562748107 430176021 /nfs/dbraw/zinc/17/60/21/430176021.db2.gz SHXMVTBFNUHKPZ-QGZVFWFLSA-N 1 0 320.389 2.886 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299576 430117773 /nfs/dbraw/zinc/11/77/73/430117773.db2.gz LSAHEGSHFWSIHE-ZIAGYGMSSA-N 1 0 319.405 2.545 20 5 DFBDRO C[N@@H+]1CCCC12CCN(c1ncc(Cl)cc1[N+](=O)[O-])CC2 ZINC000364853142 277042594 /nfs/dbraw/zinc/04/25/94/277042594.db2.gz JFNTWBCRKAHBIN-UHFFFAOYSA-N 1 0 310.785 2.708 20 5 DFBDRO C[N@@H+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)C2(CCCCC2)C1 ZINC000080941037 277098152 /nfs/dbraw/zinc/09/81/52/277098152.db2.gz FVUSBUJSHBOHQO-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3nccc4cc([N+](=O)[O-])ccc43)[C@H]2C1 ZINC000295144055 277147778 /nfs/dbraw/zinc/14/77/78/277147778.db2.gz ZYNUKLIUBPVYFO-WBMJQRKESA-N 1 0 312.373 2.673 20 5 DFBDRO CNC(=O)C(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279203387 277222242 /nfs/dbraw/zinc/22/22/42/277222242.db2.gz XNTGFVMBAQCCAU-CQSZACIVSA-N 1 0 319.405 2.679 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@H](O)CC3CCCC3)nc2c1 ZINC000581484517 430211561 /nfs/dbraw/zinc/21/15/61/430211561.db2.gz OHYJRVSFNPBOTN-CYBMUJFWSA-N 1 0 318.377 2.502 20 5 DFBDRO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266110357 277328461 /nfs/dbraw/zinc/32/84/61/277328461.db2.gz AMVOGWFKTDOBPH-CYBMUJFWSA-N 1 0 319.405 2.892 20 5 DFBDRO CO[C@](C)(C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000361010658 277357610 /nfs/dbraw/zinc/35/76/10/277357610.db2.gz QKOYDRQJCOSVNV-IIAWOOMASA-N 1 0 322.409 2.680 20 5 DFBDRO CCCCN(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587632 430222071 /nfs/dbraw/zinc/22/20/71/430222071.db2.gz RAUWNNQICBHGSK-LSDHHAIUSA-N 1 0 323.441 2.597 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000543631762 430254235 /nfs/dbraw/zinc/25/42/35/430254235.db2.gz OQQKAWIQUPYHOQ-UHFFFAOYSA-N 1 0 322.405 2.655 20 5 DFBDRO Cc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000581645118 430227414 /nfs/dbraw/zinc/22/74/14/430227414.db2.gz YUWDPWOOWPNTLQ-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000582546264 430311029 /nfs/dbraw/zinc/31/10/29/430311029.db2.gz JUEOGOHRBBAXRN-GHMZBOCLSA-N 1 0 320.418 2.934 20 5 DFBDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568500801 430363263 /nfs/dbraw/zinc/36/32/63/430363263.db2.gz GJXLHYOBOONYKT-GXTWGEPZSA-N 1 0 308.378 2.503 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1 ZINC000568626041 430376351 /nfs/dbraw/zinc/37/63/51/430376351.db2.gz MOEPZIKNBAEEIG-PBHICJAKSA-N 1 0 320.389 2.865 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000276995051 277611067 /nfs/dbraw/zinc/61/10/67/277611067.db2.gz HETHWPYTYZFAFA-CQSZACIVSA-N 1 0 307.394 2.662 20 5 DFBDRO CC[NH2+]CCCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000583935145 430443157 /nfs/dbraw/zinc/44/31/57/430443157.db2.gz RDNFRWGGLQQVTR-UHFFFAOYSA-N 1 0 307.394 2.622 20 5 DFBDRO CCO[C@H]1C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000583973567 430446016 /nfs/dbraw/zinc/44/60/16/430446016.db2.gz SBOBNXDXSLSKKT-KGLIPLIRSA-N 1 0 319.386 2.985 20 5 DFBDRO C[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000569540841 430461879 /nfs/dbraw/zinc/46/18/79/430461879.db2.gz TVHPFKGWFMNVGK-CHWSQXEVSA-N 1 0 321.421 2.791 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN(C)[C@H](C[NH3+])C1CC1 ZINC000359898013 277702486 /nfs/dbraw/zinc/70/24/86/277702486.db2.gz LJZZOEWNPYMXOK-OAHLLOKOSA-N 1 0 307.394 2.551 20 5 DFBDRO Cc1c(C[NH2+]C[C@@H](O)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000569112018 430425261 /nfs/dbraw/zinc/42/52/61/430425261.db2.gz JHTAUFKBIVYDJK-KRWDZBQOSA-N 1 0 314.385 2.987 20 5 DFBDRO C[C@H]1CCC[C@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570564892 430553793 /nfs/dbraw/zinc/55/37/93/430553793.db2.gz MHWZQJJYMGOVRS-STQMWFEESA-N 1 0 305.378 2.949 20 5 DFBDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000553539255 430620011 /nfs/dbraw/zinc/62/00/11/430620011.db2.gz MNHLHNUFIBDJMP-SNVBAGLBSA-N 1 0 319.386 2.677 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000554600019 430645941 /nfs/dbraw/zinc/64/59/41/430645941.db2.gz RMEYXJZRVMFBRH-CQSZACIVSA-N 1 0 323.368 2.680 20 5 DFBDRO COc1cccc(N2CC[NH+](C3CCCC3)CC2)c1[N+](=O)[O-] ZINC000185166400 278015902 /nfs/dbraw/zinc/01/59/02/278015902.db2.gz WTWMMIGCJWVWFA-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357050199 278036334 /nfs/dbraw/zinc/03/63/34/278036334.db2.gz LXJUKARBAVKULU-CABCVRRESA-N 1 0 303.406 2.760 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000556511557 430686539 /nfs/dbraw/zinc/68/65/39/430686539.db2.gz XKYRWJLOZBBARN-AWEZNQCLSA-N 1 0 319.405 2.641 20 5 DFBDRO CS[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274668910 278167989 /nfs/dbraw/zinc/16/79/89/278167989.db2.gz KUYBDKXUHUIKEQ-GJZGRUSLSA-N 1 0 307.419 2.611 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302822702 278187434 /nfs/dbraw/zinc/18/74/34/278187434.db2.gz FFISCICSSSGCCR-GFCCVEGCSA-N 1 0 304.394 2.849 20 5 DFBDRO C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000353629239 278235826 /nfs/dbraw/zinc/23/58/26/278235826.db2.gz FDCULMUCWZTGCF-NSHDSACASA-N 1 0 324.331 2.680 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000272562032 278843377 /nfs/dbraw/zinc/84/33/77/278843377.db2.gz LVHGZVRRWLHYEC-VHSXEESVSA-N 1 0 319.386 2.632 20 5 DFBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869211 279002887 /nfs/dbraw/zinc/00/28/87/279002887.db2.gz FSWYSGVJTAQAGN-OCCSQVGLSA-N 1 0 318.352 2.808 20 5 DFBDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H]1C ZINC000262744986 279037074 /nfs/dbraw/zinc/03/70/74/279037074.db2.gz FQDLVHCVQXPHSW-RYUDHWBXSA-N 1 0 319.405 2.715 20 5 DFBDRO C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278683527 279271804 /nfs/dbraw/zinc/27/18/04/279271804.db2.gz KAIMNAYCBDBBEM-JSKPFOEOSA-N 1 0 310.419 2.719 20 5 DFBDRO CCOc1cccc(N2CCC([C@H]3CCC[NH2+]3)CC2)c1[N+](=O)[O-] ZINC000261866135 279971500 /nfs/dbraw/zinc/97/15/00/279971500.db2.gz KTTOUCVJLIPXRJ-CQSZACIVSA-N 1 0 319.405 2.962 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000361213684 280159090 /nfs/dbraw/zinc/15/90/90/280159090.db2.gz ZKOXTWBFKWWGFC-HIFRSBDPSA-N 1 0 321.421 2.620 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC3(CCC[N@H+]3C)CC2)n1 ZINC000408170837 280398800 /nfs/dbraw/zinc/39/88/00/280398800.db2.gz GHIMUJIIRQSGIU-UHFFFAOYSA-N 1 0 304.394 2.671 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000408172251 280399352 /nfs/dbraw/zinc/39/93/52/280399352.db2.gz UJVVOPTXCXBGHU-ZIAGYGMSSA-N 1 0 304.394 2.527 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183162361 280658388 /nfs/dbraw/zinc/65/83/88/280658388.db2.gz WHCFTKWEQVYQTD-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CC2)C1 ZINC000295014466 288278687 /nfs/dbraw/zinc/27/86/87/288278687.db2.gz UDXKRSWQJLOUOM-JTQLQIEISA-N 1 0 310.785 2.564 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000272502263 281021071 /nfs/dbraw/zinc/02/10/71/281021071.db2.gz NYTNJVIAGGWGNW-DZGCQCFKSA-N 1 0 317.389 2.661 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332342415 281021268 /nfs/dbraw/zinc/02/12/68/281021268.db2.gz QZQUHAFCFVSLMO-STQMWFEESA-N 1 0 315.377 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000182820963 281021367 /nfs/dbraw/zinc/02/13/67/281021367.db2.gz SYHKHXUWWDXHNZ-QWHCGFSZSA-N 1 0 305.378 2.552 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1[N+](=O)[O-] ZINC000237608574 281193967 /nfs/dbraw/zinc/19/39/67/281193967.db2.gz MXKRALMDXDARET-AWEZNQCLSA-N 1 0 305.378 2.541 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363413675 289090551 /nfs/dbraw/zinc/09/05/51/289090551.db2.gz FZJUQAVTFYPEEK-HYVNUMGLSA-N 1 0 301.390 2.511 20 5 DFBDRO CC[N@@H+]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000412837729 289098316 /nfs/dbraw/zinc/09/83/16/289098316.db2.gz HOBUMUKPNKSSMA-NSHDSACASA-N 1 0 319.386 2.634 20 5 DFBDRO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@@H]1[NH3+] ZINC000415687826 289120707 /nfs/dbraw/zinc/12/07/07/289120707.db2.gz BLCLEBZKSTUZIY-MFKMUULPSA-N 1 0 320.393 2.703 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000415706907 289122230 /nfs/dbraw/zinc/12/22/30/289122230.db2.gz VIIAKNCLZSOLFF-UHFFFAOYSA-N 1 0 308.382 2.751 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000415756458 289130950 /nfs/dbraw/zinc/13/09/50/289130950.db2.gz FAYQHYHTEPNFQJ-XHDPSFHLSA-N 1 0 320.393 2.891 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C[NH2+]C)CC1 ZINC000415761539 289131679 /nfs/dbraw/zinc/13/16/79/289131679.db2.gz LVHRIADZMUMEDX-UHFFFAOYSA-N 1 0 320.393 2.621 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415765135 289132525 /nfs/dbraw/zinc/13/25/25/289132525.db2.gz QOWLTUZTMJBPTQ-BETUJISGSA-N 1 0 318.377 2.515 20 5 DFBDRO CN1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000436363204 296999819 /nfs/dbraw/zinc/99/98/19/296999819.db2.gz ASPUGLJRUVBALB-OAHLLOKOSA-N 1 0 311.385 2.993 20 5 DFBDRO CC[N@H+](CC1CC1)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000157896056 295355450 /nfs/dbraw/zinc/35/54/50/295355450.db2.gz CXDQVXXWCRXWPH-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000495512938 299934130 /nfs/dbraw/zinc/93/41/30/299934130.db2.gz JXRDNPLOGZEAHD-TZMCWYRMSA-N 1 0 321.377 2.551 20 5 DFBDRO CO[C@](C)([C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411941345 295569883 /nfs/dbraw/zinc/56/98/83/295569883.db2.gz GXLJMBPDDDUMKL-BLLLJJGKSA-N 1 0 308.378 2.767 20 5 DFBDRO COC1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])cc3c2OCOC3)CCC1 ZINC000412022948 295577749 /nfs/dbraw/zinc/57/77/49/295577749.db2.gz VWYKLZPEGATSNH-LLVKDONJSA-N 1 0 322.361 2.509 20 5 DFBDRO CC(C)[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487008 297095202 /nfs/dbraw/zinc/09/52/02/297095202.db2.gz CXRRRAOWQUKBNF-CZUORRHYSA-N 1 0 317.389 2.678 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000438492838 297095227 /nfs/dbraw/zinc/09/52/27/297095227.db2.gz USRGOQPQRPZHDO-ZDUSSCGKSA-N 1 0 305.378 2.820 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000441192543 297174863 /nfs/dbraw/zinc/17/48/63/297174863.db2.gz DTVQXKKJYNEYOW-LSDHHAIUSA-N 1 0 320.389 2.722 20 5 DFBDRO COC(=O)CC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000441208566 297175868 /nfs/dbraw/zinc/17/58/68/297175868.db2.gz MFINHYZVXHMFKI-GFCCVEGCSA-N 1 0 306.362 2.931 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000441280025 297178045 /nfs/dbraw/zinc/17/80/45/297178045.db2.gz BZNGRXPAIBWUMY-GJZGRUSLSA-N 1 0 320.389 2.722 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCOCC1 ZINC000444678621 297244805 /nfs/dbraw/zinc/24/48/05/297244805.db2.gz ZQWWDDJNUOSXGH-CYBMUJFWSA-N 1 0 318.377 2.766 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CCc3ncsc3C2)cc1 ZINC000445852651 297269147 /nfs/dbraw/zinc/26/91/47/297269147.db2.gz WAWNBPNIMWDARO-UHFFFAOYSA-N 1 0 319.386 2.879 20 5 DFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528350 297306914 /nfs/dbraw/zinc/30/69/14/297306914.db2.gz IXIUAWJWRXOJQB-TTZDDIAXSA-N 1 0 324.425 2.662 20 5 DFBDRO CCC[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538651 297307199 /nfs/dbraw/zinc/30/71/99/297307199.db2.gz CGSAZCWFHYUBPX-QLFBSQMISA-N 1 0 324.425 2.663 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447588020 297309473 /nfs/dbraw/zinc/30/94/73/297309473.db2.gz SIJGHLRBARYUMC-YIYPIFLZSA-N 1 0 322.409 2.678 20 5 DFBDRO CC(C)(CCCO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447587882 297309522 /nfs/dbraw/zinc/30/95/22/297309522.db2.gz SGELYYKCSUCFDH-ZIAGYGMSSA-N 1 0 324.425 2.663 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCCCO2)n1 ZINC000447598811 297310235 /nfs/dbraw/zinc/31/02/35/297310235.db2.gz WDMWWQHYYQUWDK-QLFBSQMISA-N 1 0 322.409 2.824 20 5 DFBDRO CCC(O)(CC)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600742 297310302 /nfs/dbraw/zinc/31/03/02/297310302.db2.gz NICIFUUSVPXMJY-ZIAGYGMSSA-N 1 0 324.425 2.806 20 5 DFBDRO CCC(O)(CC)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600741 297310350 /nfs/dbraw/zinc/31/03/50/297310350.db2.gz NICIFUUSVPXMJY-UONOGXRCSA-N 1 0 324.425 2.806 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCN=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1 ZINC000447667705 297312820 /nfs/dbraw/zinc/31/28/20/297312820.db2.gz AGNFXWBOWAUIAK-GFCCVEGCSA-N 1 0 317.393 2.569 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ncnn1C(C)(C)C ZINC000449304305 297441832 /nfs/dbraw/zinc/44/18/32/297441832.db2.gz ALVCVGDMZPVYRP-LBPRGKRZSA-N 1 0 317.393 2.662 20 5 DFBDRO Cn1cc(C[NH2+]C2CC(C)(F)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000449371149 297454783 /nfs/dbraw/zinc/45/47/83/297454783.db2.gz QVVIMYABZXNRIN-UHFFFAOYSA-N 1 0 318.352 2.976 20 5 DFBDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449511835 297483244 /nfs/dbraw/zinc/48/32/44/297483244.db2.gz OCKYQZKZVKAPGZ-CABCVRRESA-N 1 0 306.362 2.806 20 5 DFBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1(C)C ZINC000451489219 297815102 /nfs/dbraw/zinc/81/51/02/297815102.db2.gz NNNWEPGSBQECCD-CJNGLKHVSA-N 1 0 318.377 2.764 20 5 DFBDRO CC1(C)COC[C@@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000451808402 297878518 /nfs/dbraw/zinc/87/85/18/297878518.db2.gz FDGDIAMWZIQAKL-AWEZNQCLSA-N 1 0 317.345 2.764 20 5 DFBDRO CC[NH+](CC)CC(=O)N1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452839167 298033904 /nfs/dbraw/zinc/03/39/04/298033904.db2.gz FZYAUYUJZPFNSM-OAHLLOKOSA-N 1 0 319.405 2.643 20 5 DFBDRO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453220734 298072593 /nfs/dbraw/zinc/07/25/93/298072593.db2.gz ODUUKLZRSYWFEX-GHMZBOCLSA-N 1 0 302.325 2.910 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453286810 298080549 /nfs/dbraw/zinc/08/05/49/298080549.db2.gz IKDNBTLFCBCBIG-DUVNUKRYSA-N 1 0 308.378 2.605 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000453365450 298087077 /nfs/dbraw/zinc/08/70/77/298087077.db2.gz NKDVBPBQNCIGLI-GZBFAFLISA-N 1 0 305.378 2.680 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC000453636271 298107200 /nfs/dbraw/zinc/10/72/00/298107200.db2.gz UAAHTSIVDYVYHD-HNNXBMFYSA-N 1 0 320.414 2.966 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000454138236 298124990 /nfs/dbraw/zinc/12/49/90/298124990.db2.gz CAXSAWVKQRGSDB-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000454198621 298134520 /nfs/dbraw/zinc/13/45/20/298134520.db2.gz LYLKJTTVYHNSCR-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000455158213 298310608 /nfs/dbraw/zinc/31/06/08/298310608.db2.gz DTJDVIDMEKYDJZ-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000455174711 298313457 /nfs/dbraw/zinc/31/34/57/298313457.db2.gz VRAUYWIUNNJRRQ-AWEZNQCLSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC(C)(C)CCC[NH+](C)C ZINC000456201688 298470556 /nfs/dbraw/zinc/47/05/56/298470556.db2.gz MNBYQQXYWCRYNT-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1c(C[NH+]2CCC(OC(=O)N(C)C)CC2)cccc1[N+](=O)[O-] ZINC000496235428 300033796 /nfs/dbraw/zinc/03/37/96/300033796.db2.gz SACNKJKJBFOCBW-UHFFFAOYSA-N 1 0 321.377 2.566 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000514856177 300275480 /nfs/dbraw/zinc/27/54/80/300275480.db2.gz UNZXTMZAXIYWRV-QGZVFWFLSA-N 1 0 314.385 2.721 20 5 DFBDRO CC(C)Oc1nc(NC2(C[NH+](C)C)CCC2)ccc1[N+](=O)[O-] ZINC000516663261 300354988 /nfs/dbraw/zinc/35/49/88/300354988.db2.gz JUPABBBANIBELN-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1c1ncnc2sc([N+](=O)[O-])cc21 ZINC000516908246 300367980 /nfs/dbraw/zinc/36/79/80/300367980.db2.gz ZXCRWXMSHXOWSF-JTQLQIEISA-N 1 0 321.406 2.520 20 5 DFBDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)n1 ZINC000530359538 301042253 /nfs/dbraw/zinc/04/22/53/301042253.db2.gz PGZHGUOAXXMNCF-LSDHHAIUSA-N 1 0 315.377 2.768 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@H](C)O1 ZINC000530411900 301046060 /nfs/dbraw/zinc/04/60/60/301046060.db2.gz VESLZLMOMRFJIM-XLWJZTARSA-N 1 0 322.409 2.821 20 5 DFBDRO C[C@@H]1CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C[C@@H](C)O1 ZINC000530411899 301046159 /nfs/dbraw/zinc/04/61/59/301046159.db2.gz VESLZLMOMRFJIM-QHSBEEBCSA-N 1 0 322.409 2.821 20 5 DFBDRO CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530418939 301047308 /nfs/dbraw/zinc/04/73/08/301047308.db2.gz ORXFULSQXMCKBR-UKRRQHHQSA-N 1 0 319.405 2.812 20 5 DFBDRO CC(C)[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1 ZINC000531528146 301095182 /nfs/dbraw/zinc/09/51/82/301095182.db2.gz WEIKMLHMEVCWRL-GFCCVEGCSA-N 1 0 306.362 2.939 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CCCC1=O ZINC000531701124 301104599 /nfs/dbraw/zinc/10/45/99/301104599.db2.gz XCULGTZQVOGZNM-QWHCGFSZSA-N 1 0 305.378 2.565 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000531994848 301124387 /nfs/dbraw/zinc/12/43/87/301124387.db2.gz IWWXZSNZFLZWNQ-XJKSGUPXSA-N 1 0 323.462 2.991 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000531994845 301124513 /nfs/dbraw/zinc/12/45/13/301124513.db2.gz IWWXZSNZFLZWNQ-BBRMVZONSA-N 1 0 323.462 2.991 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000532024953 301125734 /nfs/dbraw/zinc/12/57/34/301125734.db2.gz QQKUUFDHXGXKTH-UONOGXRCSA-N 1 0 318.373 2.998 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000532464643 301154268 /nfs/dbraw/zinc/15/42/68/301154268.db2.gz RJFVLJIJXISHCE-CMPLNLGQSA-N 1 0 317.311 2.882 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000536852838 301291748 /nfs/dbraw/zinc/29/17/48/301291748.db2.gz QVHRPZSAIFTIPS-WCQYABFASA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC1(C)C ZINC000536871238 301292062 /nfs/dbraw/zinc/29/20/62/301292062.db2.gz OHMWZJRGSXJWOS-NWDGAFQWSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000539074375 301337946 /nfs/dbraw/zinc/33/79/46/301337946.db2.gz MRTQGXDNTOYNTH-NEPJUHHUSA-N 1 0 307.394 2.857 20 5 DFBDRO COc1cc(C[NH2+]CCOC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000539498123 301343412 /nfs/dbraw/zinc/34/34/12/301343412.db2.gz ZUCYMIXDUHCPKG-UHFFFAOYSA-N 1 0 312.366 2.517 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@H]2CCCO[C@@H]21 ZINC000540609736 301365914 /nfs/dbraw/zinc/36/59/14/301365914.db2.gz YRJVJAXFJXLFAF-OAGGEKHMSA-N 1 0 304.390 2.931 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000540620082 301366542 /nfs/dbraw/zinc/36/65/42/301366542.db2.gz XXRIVDZBTZEBQX-JHAQOBCDSA-N 1 0 316.357 2.642 20 5 DFBDRO CC(C)OC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000548846075 301618569 /nfs/dbraw/zinc/61/85/69/301618569.db2.gz YPXCXSGFCKVVJH-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000554375744 301733457 /nfs/dbraw/zinc/73/34/57/301733457.db2.gz WETVRYXKDSWYBP-WZRBSPASSA-N 1 0 309.341 2.792 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371493460 301868057 /nfs/dbraw/zinc/86/80/57/301868057.db2.gz QAMKGORLHVYGRL-ZDUSSCGKSA-N 1 0 318.373 2.993 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000560201540 301885972 /nfs/dbraw/zinc/88/59/72/301885972.db2.gz XFOQXIGNHGUQCB-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]CC3=CCCOC3)c2c1 ZINC000561763721 301943887 /nfs/dbraw/zinc/94/38/87/301943887.db2.gz RGEGZWHVHJYLPU-UHFFFAOYSA-N 1 0 301.346 2.555 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562838007 302007740 /nfs/dbraw/zinc/00/77/40/302007740.db2.gz YDJXLKWVBKDEOM-SJORKVTESA-N 1 0 319.405 2.580 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000563423672 302071290 /nfs/dbraw/zinc/07/12/90/302071290.db2.gz OGPHRKAZUYWFOE-XJKSGUPXSA-N 1 0 303.406 2.902 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CCC[NH+](C)C ZINC000563785024 302097388 /nfs/dbraw/zinc/09/73/88/302097388.db2.gz XFAVLQDBNNCNAU-UHFFFAOYSA-N 1 0 308.382 2.573 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnn(CC[C@H]3CCC[NH2+]C3)c2)c1 ZINC000564927369 302174531 /nfs/dbraw/zinc/17/45/31/302174531.db2.gz VPVGAFTYPHQUAV-CYBMUJFWSA-N 1 0 300.362 2.848 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565573603 302230099 /nfs/dbraw/zinc/23/00/99/302230099.db2.gz PFCAVDFAXBAYIG-ZDUSSCGKSA-N 1 0 307.394 2.546 20 5 DFBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566121967 302261789 /nfs/dbraw/zinc/26/17/89/302261789.db2.gz UQNZOERXHZFJHP-ZDUSSCGKSA-N 1 0 324.421 2.996 20 5 DFBDRO Cc1ccoc1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566121313 302261794 /nfs/dbraw/zinc/26/17/94/302261794.db2.gz DBDZIHFFTSTLAV-UHFFFAOYSA-N 1 0 303.318 2.615 20 5 DFBDRO CCN(C(=O)c1cccc([N+](=O)[O-])c1C)[C@H]1CCC[NH2+]CC1 ZINC000566865245 302318580 /nfs/dbraw/zinc/31/85/80/302318580.db2.gz BGHOSFUUNVWBCS-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1cnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000292316453 302350796 /nfs/dbraw/zinc/35/07/96/302350796.db2.gz OOXIBVIQHBSESJ-CYBMUJFWSA-N 1 0 304.394 2.609 20 5 DFBDRO CC(C)(C)CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000568382992 302445404 /nfs/dbraw/zinc/44/54/04/302445404.db2.gz VNNQFNGMGYLDAG-CYBMUJFWSA-N 1 0 310.394 2.750 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000572092566 302642403 /nfs/dbraw/zinc/64/24/03/302642403.db2.gz KDUVLTSHZJKEPV-HEHGZKQESA-N 1 0 317.389 2.707 20 5 DFBDRO C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000573604143 302712572 /nfs/dbraw/zinc/71/25/72/302712572.db2.gz NMQHAZIHORFVRO-LLVKDONJSA-N 1 0 323.418 2.655 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000180424011 316033166 /nfs/dbraw/zinc/03/31/66/316033166.db2.gz MBJHSXHDRKPBSA-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccncc2)cc1[N+](=O)[O-] ZINC000181829606 316074739 /nfs/dbraw/zinc/07/47/39/316074739.db2.gz XXFJPAVWTGCJOZ-GFCCVEGCSA-N 1 0 314.345 2.588 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000181909730 316077432 /nfs/dbraw/zinc/07/74/32/316077432.db2.gz UUMRRSJAMKVJHX-ILXRZTDVSA-N 1 0 322.405 2.845 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182942361 316124177 /nfs/dbraw/zinc/12/41/77/316124177.db2.gz MCAMLKNJZOJOKE-CJNGLKHVSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000182942396 316124542 /nfs/dbraw/zinc/12/45/42/316124542.db2.gz MCAMLKNJZOJOKE-CZUORRHYSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000186397950 316199866 /nfs/dbraw/zinc/19/98/66/316199866.db2.gz CFTZJPFBYBHKKH-CYBMUJFWSA-N 1 0 322.409 2.557 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000319424327 316251196 /nfs/dbraw/zinc/25/11/96/316251196.db2.gz FZWBCGAWDROFAL-HOTGVXAUSA-N 1 0 307.369 2.840 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000319424331 316251594 /nfs/dbraw/zinc/25/15/94/316251594.db2.gz FZWBCGAWDROFAL-JKSUJKDBSA-N 1 0 307.369 2.840 20 5 DFBDRO Cc1c(Br)c(N[C@@H](C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320040964 316252028 /nfs/dbraw/zinc/25/20/28/316252028.db2.gz COXQDHGDGLNOPZ-RQJHMYQMSA-N 1 0 317.187 2.598 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417138234 316671664 /nfs/dbraw/zinc/67/16/64/316671664.db2.gz NPMMIHUMTLRRLS-TYNCELHUSA-N 1 0 320.393 2.567 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421867936 316777673 /nfs/dbraw/zinc/77/76/73/316777673.db2.gz COPUAYUIWNOWIQ-CJNGLKHVSA-N 1 0 319.405 2.894 20 5 DFBDRO CCC1(CC)CC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000446718374 317018448 /nfs/dbraw/zinc/01/84/48/317018448.db2.gz YUUGQKTWHUFXGX-OAHLLOKOSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)c1 ZINC000449546012 317040253 /nfs/dbraw/zinc/04/02/53/317040253.db2.gz ZQUXPEPIGCKCRK-DOTOQJQBSA-N 1 0 313.357 3.000 20 5 DFBDRO COc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000449629865 317046007 /nfs/dbraw/zinc/04/60/07/317046007.db2.gz GRXNBUHBLWBONW-JKSUJKDBSA-N 1 0 320.389 2.993 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000450358403 317084500 /nfs/dbraw/zinc/08/45/00/317084500.db2.gz AOUUZZJKTQJECM-LBPRGKRZSA-N 1 0 317.393 2.639 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1 ZINC000451427929 317109362 /nfs/dbraw/zinc/10/93/62/317109362.db2.gz VZYMWLGMLPMSHE-BBWFWOEESA-N 1 0 320.389 2.599 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000453278407 317175998 /nfs/dbraw/zinc/17/59/98/317175998.db2.gz CUYNYHHQZSRQNY-LBPRGKRZSA-N 1 0 306.362 2.991 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)NC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000458508301 317280376 /nfs/dbraw/zinc/28/03/76/317280376.db2.gz OTHNNKKCURFSFL-LBPRGKRZSA-N 1 0 322.409 2.604 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])c(C)n2)CC1 ZINC000471634922 317336400 /nfs/dbraw/zinc/33/64/00/317336400.db2.gz OPMLBGCBOHZKKC-UHFFFAOYSA-N 1 0 306.410 2.856 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000491503515 317579071 /nfs/dbraw/zinc/57/90/71/317579071.db2.gz DFARMWGXGGQIRN-NKSUMMKUSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]Cc2cccc(O)c2)n1 ZINC000576543574 318133526 /nfs/dbraw/zinc/13/35/26/318133526.db2.gz CMKSXALNCLYPMR-CABCVRRESA-N 1 0 316.361 2.770 20 5 DFBDRO Cc1c(CN(C)C/C=C/c2ccccc2[N+](=O)[O-])cnn1C ZINC000576663064 318141424 /nfs/dbraw/zinc/14/14/24/318141424.db2.gz DLKBDLZPACIRIG-SOFGYWHQSA-N 1 0 300.362 2.782 20 5 DFBDRO CN(Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H]1CC[NH2+]C1 ZINC000578192224 318243867 /nfs/dbraw/zinc/24/38/67/318243867.db2.gz HSYWUFRDNOBVLT-CQSZACIVSA-N 1 0 301.346 2.649 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000578626774 318273941 /nfs/dbraw/zinc/27/39/41/318273941.db2.gz RNWGZMYTZRTZAT-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000578892209 318293565 /nfs/dbraw/zinc/29/35/65/318293565.db2.gz ZOYVDLDJLYIEEP-RISCZKNCSA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000578949719 318296552 /nfs/dbraw/zinc/29/65/52/318296552.db2.gz NYVXSFPNWUUEAO-OLZOCXBDSA-N 1 0 300.362 2.879 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)c1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000579707814 318348919 /nfs/dbraw/zinc/34/89/19/318348919.db2.gz QZBUMEBYMUWJIB-UHFFFAOYSA-N 1 0 318.421 2.789 20 5 DFBDRO CN(C)[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000580034689 318370080 /nfs/dbraw/zinc/37/00/80/318370080.db2.gz XPHAHWMOPQMPIR-DLBZAZTESA-N 1 0 303.406 2.902 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCC1 ZINC000192930055 323248921 /nfs/dbraw/zinc/24/89/21/323248921.db2.gz XRNJGWWOAANERP-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000194005830 323261744 /nfs/dbraw/zinc/26/17/44/323261744.db2.gz RTIUGPQKPNOFMO-AAEUAGOBSA-N 1 0 321.377 2.710 20 5 DFBDRO COc1ccc(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000389992140 323340673 /nfs/dbraw/zinc/34/06/73/323340673.db2.gz FSLXNMFQNTYMED-LSDHHAIUSA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc(COc2ccc3c(c2)OCC[NH2+]C3)c(F)c1 ZINC000391799371 323346422 /nfs/dbraw/zinc/34/64/22/323346422.db2.gz GTUCAMLXOSGIAK-UHFFFAOYSA-N 1 0 318.304 2.795 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cccc1[N+](=O)[O-] ZINC000580573916 323406738 /nfs/dbraw/zinc/40/67/38/323406738.db2.gz SAVBEWOVRHREDB-STQMWFEESA-N 1 0 317.389 2.565 20 5 DFBDRO COc1cc(OCc2ccc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000581014041 323463743 /nfs/dbraw/zinc/46/37/43/323463743.db2.gz OSGICUBDYTZEQE-UHFFFAOYSA-N 1 0 314.341 2.828 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[NH+](C2CCCCC2)CC1 ZINC000583585618 323882791 /nfs/dbraw/zinc/88/27/91/323882791.db2.gz HXGNFLIZAJLVCT-UHFFFAOYSA-N 1 0 321.425 2.574 20 5 DFBDRO Cc1cc(F)c(NC(=O)NCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000296745225 533811973 /nfs/dbraw/zinc/81/19/73/533811973.db2.gz NMVKWCCFVIHHJY-UHFFFAOYSA-N 1 0 324.356 2.650 20 5 DFBDRO C[C@H](CCCC[NH3+])Nc1ncc(Br)cc1[N+](=O)[O-] ZINC000311019397 533852014 /nfs/dbraw/zinc/85/20/14/533852014.db2.gz QRGUZOKYXTZUAD-MRVPVSSYSA-N 1 0 317.187 2.682 20 5 DFBDRO C[C@H](CCCC[NH3+])Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000313923209 533852869 /nfs/dbraw/zinc/85/28/69/533852869.db2.gz BIMJPHMULQGZBL-MRVPVSSYSA-N 1 0 306.288 2.938 20 5 DFBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803973 533889677 /nfs/dbraw/zinc/88/96/77/533889677.db2.gz PCRYZEVLVCOLSH-IUIKQTSFSA-N 1 0 307.394 2.769 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000156078613 519845912 /nfs/dbraw/zinc/84/59/12/519845912.db2.gz BYWQDNBFVRJNDI-UHFFFAOYSA-N 1 0 320.393 2.899 20 5 DFBDRO C[C@@H]1C[NH+](CCCCNc2sccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000301981016 534463779 /nfs/dbraw/zinc/46/37/79/534463779.db2.gz AYFTZYGYOPACMD-VXGBXAGGSA-N 1 0 313.423 2.958 20 5 DFBDRO Cc1nc(NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000295572040 534486170 /nfs/dbraw/zinc/48/61/70/534486170.db2.gz RGYRXQYSCNPWST-LLVKDONJSA-N 1 0 307.398 2.616 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000365190535 520699594 /nfs/dbraw/zinc/69/95/94/520699594.db2.gz OXIURBNITMWUHW-GJZGRUSLSA-N 1 0 320.389 2.852 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000111420778 521593573 /nfs/dbraw/zinc/59/35/73/521593573.db2.gz QDECEUNBJDQMOS-CQSZACIVSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1[N+](=O)[O-] ZINC000322108954 534591303 /nfs/dbraw/zinc/59/13/03/534591303.db2.gz OBNJXXFPVKWNNO-ZFWWWQNUSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366423480 522975233 /nfs/dbraw/zinc/97/52/33/522975233.db2.gz VHOOWWKTISFENC-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000158178603 525726017 /nfs/dbraw/zinc/72/60/17/525726017.db2.gz POBNPVQAOBULLV-HUUCEWRRSA-N 1 0 322.405 2.997 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1[N+](=O)[O-] ZINC000157347166 526872298 /nfs/dbraw/zinc/87/22/98/526872298.db2.gz DZSCEVQCFLLKOB-VXGBXAGGSA-N 1 0 323.418 2.521 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000321576000 527217268 /nfs/dbraw/zinc/21/72/68/527217268.db2.gz PRGLZGXLVHHGKL-CZUORRHYSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000321575998 527217644 /nfs/dbraw/zinc/21/76/44/527217644.db2.gz PRGLZGXLVHHGKL-CJNGLKHVSA-N 1 0 317.389 2.718 20 5 DFBDRO CC(C)(C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)C(N)=O ZINC000294897103 527227353 /nfs/dbraw/zinc/22/73/53/527227353.db2.gz WXLWSVGEEWAYSG-AWEZNQCLSA-N 1 0 319.405 2.708 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000365034181 527356483 /nfs/dbraw/zinc/35/64/83/527356483.db2.gz DCFUCINWZVLFMG-CYBMUJFWSA-N 1 0 308.353 2.982 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC23CCOCC3)cc1 ZINC000372458167 527370795 /nfs/dbraw/zinc/37/07/95/527370795.db2.gz NWBHZQPFDHIUAB-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]1SC ZINC000298245222 527939676 /nfs/dbraw/zinc/93/96/76/527939676.db2.gz CUHOBZNOWYOGQR-RRFJBIMHSA-N 1 0 310.419 2.636 20 5 DFBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000355354516 535075366 /nfs/dbraw/zinc/07/53/66/535075366.db2.gz LIYSMWBGMRNNLR-HOCLYGCPSA-N 1 0 322.405 2.845 20 5 DFBDRO CC1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CC[NH2+]CC1 ZINC000262294898 535159457 /nfs/dbraw/zinc/15/94/57/535159457.db2.gz NSTDXSJXDHWWAD-UHFFFAOYSA-N 1 0 300.362 2.945 20 5 DFBDRO CCC[C@H](C)C[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000354640466 535610542 /nfs/dbraw/zinc/61/05/42/535610542.db2.gz DWBFZYDIKPKVJK-AWEZNQCLSA-N 1 0 319.405 2.789 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000361470684 536419470 /nfs/dbraw/zinc/41/94/70/536419470.db2.gz UTASGBSVVINRKF-ZIAGYGMSSA-N 1 0 322.405 2.845 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000174133617 536898796 /nfs/dbraw/zinc/89/87/96/536898796.db2.gz TWLXZHOBFUEHIC-GDBMZVCRSA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000820431135 606619879 /nfs/dbraw/zinc/61/98/79/606619879.db2.gz BCHQXXXBBAONAK-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000074684172 185009109 /nfs/dbraw/zinc/00/91/09/185009109.db2.gz NWFIJOOJQCUPDM-GXTWGEPZSA-N 1 0 318.377 2.604 20 5 DFBDRO CCc1nc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)no1 ZINC000278667710 214312751 /nfs/dbraw/zinc/31/27/51/214312751.db2.gz IZQJSKAHFYYCPI-CQSZACIVSA-N 1 0 316.361 2.750 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000315798700 231143226 /nfs/dbraw/zinc/14/32/26/231143226.db2.gz PIEPXLMPIOZQSD-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO C[NH+](C)CCOCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000318578434 231173704 /nfs/dbraw/zinc/17/37/04/231173704.db2.gz OEHROGVRHUSKBI-UHFFFAOYSA-N 1 0 321.299 2.604 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000320917626 231198569 /nfs/dbraw/zinc/19/85/69/231198569.db2.gz CIRXEEBGCIEXDA-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000087367826 185222865 /nfs/dbraw/zinc/22/28/65/185222865.db2.gz NRVPKCZFXWAMFX-LSDHHAIUSA-N 1 0 319.405 2.516 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000066124915 398357877 /nfs/dbraw/zinc/35/78/77/398357877.db2.gz CCZUPRXBGMDTDV-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO C[C@@H](Nc1cc[nH]c(=O)c1[N+](=O)[O-])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000596189176 398352410 /nfs/dbraw/zinc/35/24/10/398352410.db2.gz GMOLRLRIZKEHLW-VXGBXAGGSA-N 1 0 320.393 2.760 20 5 DFBDRO C[NH+](C)CC1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000596247172 398367057 /nfs/dbraw/zinc/36/70/57/398367057.db2.gz LVHYXWHGCZBMCB-UHFFFAOYSA-N 1 0 312.373 2.655 20 5 DFBDRO CCc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000330957575 529598183 /nfs/dbraw/zinc/59/81/83/529598183.db2.gz CTIRPADWCCLWDR-UHFFFAOYSA-N 1 0 319.405 2.571 20 5 DFBDRO CCc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000296835475 529602211 /nfs/dbraw/zinc/60/22/11/529602211.db2.gz DEINBAOMRPZVHR-GOOCMWNKSA-N 1 0 317.389 2.512 20 5 DFBDRO CCCCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090068414 185280558 /nfs/dbraw/zinc/28/05/58/185280558.db2.gz UAIHAJBPLANYGQ-WFASDCNBSA-N 1 0 307.394 2.940 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090068685 185280726 /nfs/dbraw/zinc/28/07/26/185280726.db2.gz DQXIOWDFBILDKR-DOMZBBRYSA-N 1 0 307.394 2.892 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000090177799 185285080 /nfs/dbraw/zinc/28/50/80/185285080.db2.gz BDVZSTLQWUKSJD-QWHCGFSZSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCOC1 ZINC000083173592 398384725 /nfs/dbraw/zinc/38/47/25/398384725.db2.gz HBVPWXIJYARKQT-LLVKDONJSA-N 1 0 305.334 2.594 20 5 DFBDRO CC(C)[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1 ZINC000090512071 185299605 /nfs/dbraw/zinc/29/96/05/185299605.db2.gz JDYLUEDXTKPWQP-KRWDZBQOSA-N 1 0 315.373 2.743 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CCC2(CCCCC2)CC1 ZINC000090524946 185300361 /nfs/dbraw/zinc/30/03/61/185300361.db2.gz SIIRLEPNXZHEKA-UHFFFAOYSA-N 1 0 319.405 2.803 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccc(Cl)cc1 ZINC000090552865 185302786 /nfs/dbraw/zinc/30/27/86/185302786.db2.gz WYYDQKIRUFNKHD-NSHDSACASA-N 1 0 321.764 2.761 20 5 DFBDRO COC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000090650575 185307877 /nfs/dbraw/zinc/30/78/77/185307877.db2.gz WWRYUVKXHQXMMK-ZDUSSCGKSA-N 1 0 308.378 2.749 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000014939270 398391835 /nfs/dbraw/zinc/39/18/35/398391835.db2.gz PRJSUETXGKWMIX-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092733965 185336844 /nfs/dbraw/zinc/33/68/44/185336844.db2.gz QWKPJZSSRUQSAD-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO COC(=O)c1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000592168918 398396362 /nfs/dbraw/zinc/39/63/62/398396362.db2.gz UOHYWFCLJLQAPG-HAQNSBGRSA-N 1 0 322.361 2.525 20 5 DFBDRO C[C@H]1CC2(C[N@@H+]1CCOc1ccccc1[N+](=O)[O-])CCOCC2 ZINC000592181105 398397240 /nfs/dbraw/zinc/39/72/40/398397240.db2.gz CLHXZBLNWWMRAL-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO O=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000592181595 398397762 /nfs/dbraw/zinc/39/77/62/398397762.db2.gz NQXWBCHUKGZHPI-UFGOTCBOSA-N 1 0 323.780 2.965 20 5 DFBDRO COc1cc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)ccc1[N+](=O)[O-] ZINC000592182455 398397969 /nfs/dbraw/zinc/39/79/69/398397969.db2.gz AMCATVUACFGQMV-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000584697774 398398242 /nfs/dbraw/zinc/39/82/42/398398242.db2.gz RMYWDYYGQGTFNY-HIFRSBDPSA-N 1 0 321.421 2.791 20 5 DFBDRO CCc1ccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)cc1 ZINC000181450200 199299210 /nfs/dbraw/zinc/29/92/10/199299210.db2.gz FNTOBJCPTFIORU-CYBMUJFWSA-N 1 0 315.373 2.670 20 5 DFBDRO Cc1cc(NCCSCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181502411 199306676 /nfs/dbraw/zinc/30/66/76/199306676.db2.gz QSSWPPFCZDQVOT-UHFFFAOYSA-N 1 0 321.402 2.979 20 5 DFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccncc3[N+](=O)[O-])C2)CC1 ZINC000066811488 398400739 /nfs/dbraw/zinc/40/07/39/398400739.db2.gz ONRPVYNFQVPTPG-HNNXBMFYSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@H](CNc1ccncc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000066808315 398399952 /nfs/dbraw/zinc/39/99/52/398399952.db2.gz PILKROPCZJYHKY-CYBMUJFWSA-N 1 0 312.373 2.849 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000017742568 398404423 /nfs/dbraw/zinc/40/44/23/398404423.db2.gz ZTTRWEKZDPRQBP-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO [NH3+]CCCNC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592285857 398411129 /nfs/dbraw/zinc/41/11/29/398411129.db2.gz ZNZYFFPARKWGAN-UHFFFAOYSA-N 1 0 323.418 2.708 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H](C)CC)c([N+](=O)[O-])c1 ZINC000183079075 199532380 /nfs/dbraw/zinc/53/23/80/199532380.db2.gz UEWOPBBFMYFTFQ-VXGBXAGGSA-N 1 0 323.393 2.956 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596445229 398414288 /nfs/dbraw/zinc/41/42/88/398414288.db2.gz CWBHAEDEMJIPQC-GFCCVEGCSA-N 1 0 306.366 2.589 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356710 398414986 /nfs/dbraw/zinc/41/49/86/398414986.db2.gz GAHDSJUPOBQOAN-JTQLQIEISA-N 1 0 306.347 2.791 20 5 DFBDRO C[C@H](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183093275 199535327 /nfs/dbraw/zinc/53/53/27/199535327.db2.gz OJMBBVSRTISQLW-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255442034 398424759 /nfs/dbraw/zinc/42/47/59/398424759.db2.gz ZPODDAIPWGCOSY-ULJGCTHBSA-N 1 0 301.390 2.777 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596481073 398424836 /nfs/dbraw/zinc/42/48/36/398424836.db2.gz WZYWBBFBJAEPBI-ZDUSSCGKSA-N 1 0 321.425 2.939 20 5 DFBDRO CCc1nn(C)c(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596480903 398425211 /nfs/dbraw/zinc/42/52/11/398425211.db2.gz SSVYXUWTZRKNDW-GFCCVEGCSA-N 1 0 321.425 2.710 20 5 DFBDRO CN(Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H]1CC[NH2+]C1 ZINC000592427537 398425608 /nfs/dbraw/zinc/42/56/08/398425608.db2.gz ANHLHXNQVQHMRP-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCCN2CC[NH+](C3CCC3)CC2)cc1 ZINC000265014510 398437592 /nfs/dbraw/zinc/43/75/92/398437592.db2.gz RGTLDKXOHBTUHC-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO NC(=O)C1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCC1 ZINC000088545243 398437913 /nfs/dbraw/zinc/43/79/13/398437913.db2.gz QJFZRRZHFIPWEG-UHFFFAOYSA-N 1 0 311.769 2.526 20 5 DFBDRO CCN1CC[NH+](C[C@@H](C)CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000088701553 398439980 /nfs/dbraw/zinc/43/99/80/398439980.db2.gz MXVJONUSYAWXPH-HNNXBMFYSA-N 1 0 320.437 2.589 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CCC[C@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000592538491 398444217 /nfs/dbraw/zinc/44/42/17/398444217.db2.gz QNDWERRPPXOSNO-CFVMTHIKSA-N 1 0 305.378 2.537 20 5 DFBDRO CC(C)([NH3+])CCC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000592558673 398445305 /nfs/dbraw/zinc/44/53/05/398445305.db2.gz SZKJCDDMQMRWCO-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000272351687 398449308 /nfs/dbraw/zinc/44/93/08/398449308.db2.gz QRYVJCDWMIVZKT-ZDUSSCGKSA-N 1 0 317.389 2.566 20 5 DFBDRO CCn1nccc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000596572038 398450681 /nfs/dbraw/zinc/45/06/81/398450681.db2.gz JPRIIWIZBYOKEU-UHFFFAOYSA-N 1 0 311.345 2.702 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])o1)C1CCCCC1 ZINC000067869718 398463424 /nfs/dbraw/zinc/46/34/24/398463424.db2.gz BIALWOSSTHMNKL-UHFFFAOYSA-N 1 0 309.366 2.524 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000330824699 232095473 /nfs/dbraw/zinc/09/54/73/232095473.db2.gz OJBNLXGGFXJSNS-ZDUSSCGKSA-N 1 0 318.295 2.527 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587571220 398472269 /nfs/dbraw/zinc/47/22/69/398472269.db2.gz RUTSABUPUQTMGK-SNVBAGLBSA-N 1 0 321.406 2.743 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)Nc1ncnc2sc([N+](=O)[O-])cc21 ZINC000587979826 398473432 /nfs/dbraw/zinc/47/34/32/398473432.db2.gz WXXOYKVDXVAKEK-SNVBAGLBSA-N 1 0 321.406 2.886 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000090046820 398475537 /nfs/dbraw/zinc/47/55/37/398475537.db2.gz FNGMWCFUVGNKAY-LSDHHAIUSA-N 1 0 321.421 2.665 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090053359 398476206 /nfs/dbraw/zinc/47/62/06/398476206.db2.gz WBSSGWAOEDQQTN-IAGOWNOFSA-N 1 0 322.405 2.813 20 5 DFBDRO CC[NH+]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090065112 398476847 /nfs/dbraw/zinc/47/68/47/398476847.db2.gz FGQVOYVFMXFUNZ-UHFFFAOYSA-N 1 0 312.373 2.799 20 5 DFBDRO C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000090065850 398477000 /nfs/dbraw/zinc/47/70/00/398477000.db2.gz FNJIMCKCMVKBIB-UHFFFAOYSA-N 1 0 312.373 2.799 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1c(F)cccc1Cl ZINC000181731750 199345598 /nfs/dbraw/zinc/34/55/98/199345598.db2.gz AFAFFNAJNUYIJK-VIFPVBQESA-N 1 0 312.732 2.935 20 5 DFBDRO O=C(CC[NH+]1C[C@@H]2CCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1F ZINC000181741656 199346714 /nfs/dbraw/zinc/34/67/14/199346714.db2.gz JAJIKCVYVNWBID-RYUDHWBXSA-N 1 0 321.352 2.794 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000277886959 213838595 /nfs/dbraw/zinc/83/85/95/213838595.db2.gz DCJGNQTULVQQMJ-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CCOc1ccccc1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537750 398489424 /nfs/dbraw/zinc/48/94/24/398489424.db2.gz ZOZSNSGOTKVEGQ-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090909804 398497588 /nfs/dbraw/zinc/49/75/88/398497588.db2.gz KBIHCFFWGOARIB-HNNXBMFYSA-N 1 0 300.362 2.538 20 5 DFBDRO C[C@@H]1CCC[C@@](CNC(=O)c2ccccc2[N+](=O)[O-])([NH+](C)C)C1 ZINC000068116808 190749033 /nfs/dbraw/zinc/74/90/33/190749033.db2.gz UTXQGVKRIOLTOL-CXAGYDPISA-N 1 0 319.405 2.835 20 5 DFBDRO CC(=O)c1cc(N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000286870657 219203512 /nfs/dbraw/zinc/20/35/12/219203512.db2.gz HTNYFAHIZNPVPD-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])cc1F ZINC000091453431 398529387 /nfs/dbraw/zinc/52/93/87/398529387.db2.gz ABIKLTWLVUHTCE-LBPRGKRZSA-N 1 0 323.368 2.807 20 5 DFBDRO CC(C)[N@@H+]1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000068800027 398529626 /nfs/dbraw/zinc/52/96/26/398529626.db2.gz JUTQXBNRDZSYKW-CMDGGOBGSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC(C3(O)CC3)CC2)cc1 ZINC000593049248 398530291 /nfs/dbraw/zinc/53/02/91/398530291.db2.gz JBIRUHVTWCUSSA-UHFFFAOYSA-N 1 0 320.389 2.601 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc2cc([N+](=O)[O-])ccc2n1)C1CC1 ZINC000091481848 398532237 /nfs/dbraw/zinc/53/22/37/398532237.db2.gz JAKCVYQDNLRLFJ-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000593053651 398532524 /nfs/dbraw/zinc/53/25/24/398532524.db2.gz KEDVPLUEXKXGIU-AWEZNQCLSA-N 1 0 308.378 2.993 20 5 DFBDRO CC(C)O[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055834 398532562 /nfs/dbraw/zinc/53/25/62/398532562.db2.gz RUGDQQSPXOEOGG-MRXNPFEDSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[C@H]1CN(c2c3ccccc3ncc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000317052795 398533828 /nfs/dbraw/zinc/53/38/28/398533828.db2.gz UBYWTQHLZNYMIA-WCQYABFASA-N 1 0 300.362 2.707 20 5 DFBDRO CC(=O)c1cc(N2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000317340682 398535788 /nfs/dbraw/zinc/53/57/88/398535788.db2.gz BDKVHHXKSYLQSV-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000075652919 282555315 /nfs/dbraw/zinc/55/53/15/282555315.db2.gz VBXPEEMYKBOGNH-DNGMOHDESA-N 1 0 317.389 2.599 20 5 DFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414143853 295771716 /nfs/dbraw/zinc/77/17/16/295771716.db2.gz LXRNOBAJOMKIED-LXTVHRRPSA-N 1 0 322.409 2.821 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465687 398542897 /nfs/dbraw/zinc/54/28/97/398542897.db2.gz MCRAMIIPMNXHLK-XJKSGUPXSA-N 1 0 307.369 2.698 20 5 DFBDRO C[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCc2ccc(F)cc21 ZINC000593114862 398549584 /nfs/dbraw/zinc/54/95/84/398549584.db2.gz FAJDIQGFRZVAQB-GFCCVEGCSA-N 1 0 318.352 2.592 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000321602950 398553674 /nfs/dbraw/zinc/55/36/74/398553674.db2.gz KSHSQVDJJKMRKE-CABCVRRESA-N 1 0 318.377 2.733 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2c1 ZINC000321971818 398555356 /nfs/dbraw/zinc/55/53/56/398555356.db2.gz HSOAUKJIKNKWIQ-CABCVRRESA-N 1 0 313.361 2.577 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ncnc2ccc([N+](=O)[O-])cc21 ZINC000321957272 398555760 /nfs/dbraw/zinc/55/57/60/398555760.db2.gz FECYPPKELNDDBC-LBPRGKRZSA-N 1 0 315.377 2.824 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2c1 ZINC000321971822 398555782 /nfs/dbraw/zinc/55/57/82/398555782.db2.gz HSOAUKJIKNKWIQ-HUUCEWRRSA-N 1 0 313.361 2.577 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000589498425 398557453 /nfs/dbraw/zinc/55/74/53/398557453.db2.gz PAWUFLHDLUNQPK-CQSZACIVSA-N 1 0 304.346 2.756 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+](C[C@H](C)OC)C(C)C)c1 ZINC000589502384 398557278 /nfs/dbraw/zinc/55/72/78/398557278.db2.gz XKBJLMQLJLLRME-LBPRGKRZSA-N 1 0 324.377 2.627 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000589498423 398557323 /nfs/dbraw/zinc/55/73/23/398557323.db2.gz PAWUFLHDLUNQPK-AWEZNQCLSA-N 1 0 304.346 2.756 20 5 DFBDRO O=[N+]([O-])c1ccc2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2c1 ZINC000322626264 398558663 /nfs/dbraw/zinc/55/86/63/398558663.db2.gz UAEXEXKJCBQIFM-VXGBXAGGSA-N 1 0 313.361 2.577 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])c(C(=O)OC)c1 ZINC000589571733 398560376 /nfs/dbraw/zinc/56/03/76/398560376.db2.gz REIJAPTULSNFGH-GFCCVEGCSA-N 1 0 323.393 2.832 20 5 DFBDRO 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 398567903 /nfs/dbraw/zinc/56/79/03/398567903.db2.gz JPTXTZBYFOQJTA-RFGFWPKPSA-N 1 0 319.405 2.638 20 5 DFBDRO C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1C[NH3+] ZINC000593229894 398576106 /nfs/dbraw/zinc/57/61/06/398576106.db2.gz RGZCQYGAMMIHBP-VXGBXAGGSA-N 1 0 300.362 2.564 20 5 DFBDRO C[C@@]1(CNc2ccnc3cc([N+](=O)[O-])ccc32)CCC[NH2+]C1 ZINC000593229400 398576159 /nfs/dbraw/zinc/57/61/59/398576159.db2.gz MAXRSJILDIYGGB-MRXNPFEDSA-N 1 0 300.362 2.945 20 5 DFBDRO C[NH2+]CC1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593232890 398576693 /nfs/dbraw/zinc/57/66/93/398576693.db2.gz RTFZXDAEKOVSNB-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000279939146 215255684 /nfs/dbraw/zinc/25/56/84/215255684.db2.gz XEWYCLWMIISWTR-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]CC1CC(F)(F)C1)OCCO2 ZINC000589937776 398584537 /nfs/dbraw/zinc/58/45/37/398584537.db2.gz NGLGFZZLKUBMHQ-UHFFFAOYSA-N 1 0 314.288 2.501 20 5 DFBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092623021 398588624 /nfs/dbraw/zinc/58/86/24/398588624.db2.gz YUEVVLNGQFXLGP-SNVBAGLBSA-N 1 0 301.293 2.702 20 5 DFBDRO CCN1CC[NH+](C[C@@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000092612756 398587465 /nfs/dbraw/zinc/58/74/65/398587465.db2.gz ZMCHMBGZJNEXET-AWEZNQCLSA-N 1 0 320.437 2.589 20 5 DFBDRO C[C@@]12COC[C@]1(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000597196014 398587672 /nfs/dbraw/zinc/58/76/72/398587672.db2.gz PMZDXTIHBMOVBA-XKSIXWHQSA-N 1 0 302.374 2.966 20 5 DFBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000092649030 398589345 /nfs/dbraw/zinc/58/93/45/398589345.db2.gz YPQXVOPUWRYCAH-UHFFFAOYSA-N 1 0 303.309 2.996 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053948 398592590 /nfs/dbraw/zinc/59/25/90/398592590.db2.gz YAFFLNHPHZMJMC-AATOQMJSSA-N 1 0 301.390 2.636 20 5 DFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000597220708 398594547 /nfs/dbraw/zinc/59/45/47/398594547.db2.gz FZDDPVDBCPAHIC-YEJLBBQYSA-N 1 0 304.346 2.539 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C[N@@H+]1C1CC1 ZINC000133651260 186003314 /nfs/dbraw/zinc/00/33/14/186003314.db2.gz MYIGUEADJWXJLQ-NXEZZACHSA-N 1 0 323.780 2.603 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000133646657 186002722 /nfs/dbraw/zinc/00/27/22/186002722.db2.gz ROIBZVNMCGVALA-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597232766 398598995 /nfs/dbraw/zinc/59/89/95/398598995.db2.gz VWZKBGUOASCQEO-AKXCLDFRSA-N 1 0 302.374 2.966 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CC[C@@H](CO)C2)o1 ZINC000092763803 398599691 /nfs/dbraw/zinc/59/96/91/398599691.db2.gz RYFLFTYVEAABME-GFCCVEGCSA-N 1 0 302.330 2.669 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C(C)(C)CO ZINC000590161808 398602418 /nfs/dbraw/zinc/60/24/18/398602418.db2.gz YXOVDCUKCVSKDG-UHFFFAOYSA-N 1 0 306.284 2.816 20 5 DFBDRO CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000597242073 398603456 /nfs/dbraw/zinc/60/34/56/398603456.db2.gz UONQCTGTTQGHQC-SMDDNHRTSA-N 1 0 312.391 2.868 20 5 DFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000590569088 398632864 /nfs/dbraw/zinc/63/28/64/398632864.db2.gz KQRMKMSWESQFSN-KOLCDFICSA-N 1 0 315.320 2.725 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)nccc2NCC[NH+]1CCSCC1 ZINC000593463205 398635339 /nfs/dbraw/zinc/63/53/39/398635339.db2.gz PSFVCMZOEVCLSF-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593462798 398635973 /nfs/dbraw/zinc/63/59/73/398635973.db2.gz ZMRQTLAXRBUGPB-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000459709113 299169143 /nfs/dbraw/zinc/16/91/43/299169143.db2.gz TUBPOKSDQQHOJX-HNNXBMFYSA-N 1 0 308.378 2.994 20 5 DFBDRO C[C@@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@H]1[NH+](C)C ZINC000593465393 398636610 /nfs/dbraw/zinc/63/66/10/398636610.db2.gz RKGRKQJKOLARSM-BDJLRTHQSA-N 1 0 300.362 2.529 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173309356 186175332 /nfs/dbraw/zinc/17/53/32/186175332.db2.gz IQCCXRFREYVDFR-CZUORRHYSA-N 1 0 316.357 2.685 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000164177864 186151051 /nfs/dbraw/zinc/15/10/51/186151051.db2.gz BGYQYUUVJFUVSS-WFASDCNBSA-N 1 0 303.366 2.706 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc4cc([N+](=O)[O-])ccc43)[C@@H]2C1 ZINC000593468379 398638590 /nfs/dbraw/zinc/63/85/90/398638590.db2.gz FKKKSSAMBQXFNB-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)[C@@H](C)C1 ZINC000593476757 398640089 /nfs/dbraw/zinc/64/00/89/398640089.db2.gz YZNXGLWKHYQBAN-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000177893965 186200205 /nfs/dbraw/zinc/20/02/05/186200205.db2.gz UZBVSUJKVLRGBB-DRZSPHRISA-N 1 0 305.378 2.961 20 5 DFBDRO Cc1ccc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414655381 295812379 /nfs/dbraw/zinc/81/23/79/295812379.db2.gz HGYRPSCELZUGSS-HNNXBMFYSA-N 1 0 308.382 2.788 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000414662893 295813204 /nfs/dbraw/zinc/81/32/04/295813204.db2.gz RNEZQZOTNUBNIZ-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO CC[NH+]1CCC(NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)CC1 ZINC000093906994 398649739 /nfs/dbraw/zinc/64/97/39/398649739.db2.gz QPUWPOQJSDEBPF-UHFFFAOYSA-N 1 0 319.405 2.734 20 5 DFBDRO C[C@@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265158192 186343841 /nfs/dbraw/zinc/34/38/41/186343841.db2.gz MJLPSCWXIKJXHI-SNVBAGLBSA-N 1 0 307.375 2.579 20 5 DFBDRO C[C@H](O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265158189 186344155 /nfs/dbraw/zinc/34/41/55/186344155.db2.gz MJLPSCWXIKJXHI-JTQLQIEISA-N 1 0 307.375 2.579 20 5 DFBDRO CC(C)(C)c1nnc(CNCC=Cc2ccccc2[N+](=O)[O-])[nH]1 ZINC000459720803 299172484 /nfs/dbraw/zinc/17/24/84/299172484.db2.gz ZJTQTUALHXWTKZ-VURMDHGXSA-N 1 0 315.377 2.813 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000267819802 186366724 /nfs/dbraw/zinc/36/67/24/186366724.db2.gz OLLMFCLHWVKBQW-BETUJISGSA-N 1 0 305.378 2.820 20 5 DFBDRO CCCC[NH+]1CCC(Nc2c([N+](=O)[O-])c(CC)nn2C)CC1 ZINC000094150841 398654928 /nfs/dbraw/zinc/65/49/28/398654928.db2.gz JWEVPZHZZCTTGH-UHFFFAOYSA-N 1 0 309.414 2.567 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CNC[C@H]3CCC[NH2+]C3)o2)cc1 ZINC000414832504 295823570 /nfs/dbraw/zinc/82/35/70/295823570.db2.gz QOUQDKLBUFGKPQ-ZDUSSCGKSA-N 1 0 315.373 2.944 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000045026668 398660037 /nfs/dbraw/zinc/66/00/37/398660037.db2.gz JBEVRWZJTQGCCB-UHFFFAOYSA-N 1 0 320.349 2.568 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459745261 299180567 /nfs/dbraw/zinc/18/05/67/299180567.db2.gz SHTDRITUPGGKDH-UHFFFAOYSA-N 1 0 305.378 2.962 20 5 DFBDRO C[NH+](C)CC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000172265004 198068282 /nfs/dbraw/zinc/06/82/82/198068282.db2.gz KZVZTVKOSMMBOB-NSHDSACASA-N 1 0 313.423 2.753 20 5 DFBDRO Cc1c(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000182046291 199378697 /nfs/dbraw/zinc/37/86/97/199378697.db2.gz YEHGSUHYJSPOIO-HNNXBMFYSA-N 1 0 319.405 2.817 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCO[C@H]21 ZINC000590756127 398666866 /nfs/dbraw/zinc/66/68/66/398666866.db2.gz JAGQKMWOAUSGLR-VCTAVGKDSA-N 1 0 317.345 2.639 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCSC[C@@H]1C ZINC000172592495 198119965 /nfs/dbraw/zinc/11/99/65/198119965.db2.gz RIKMDSZDTZKJIO-LBPRGKRZSA-N 1 0 323.418 2.669 20 5 DFBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1(C)C ZINC000590756748 398667795 /nfs/dbraw/zinc/66/77/95/398667795.db2.gz IZARLPGLCSNGIK-TURNYIBQSA-N 1 0 319.361 2.885 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459771165 299187866 /nfs/dbraw/zinc/18/78/66/299187866.db2.gz RMSAOBQCEPTHKF-ZIAGYGMSSA-N 1 0 312.316 2.920 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H](CO)CCF)c2ccccc2)c1 ZINC000593718748 398676244 /nfs/dbraw/zinc/67/62/44/398676244.db2.gz QXNZMYBXTITKAI-NVXWUHKLSA-N 1 0 318.348 2.994 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000593724784 398677886 /nfs/dbraw/zinc/67/78/86/398677886.db2.gz ZQAVASRAIJCMMK-BBRMVZONSA-N 1 0 319.405 2.894 20 5 DFBDRO COCCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173374883 198207127 /nfs/dbraw/zinc/20/71/27/198207127.db2.gz YNLCRFJKBSLELQ-AWEZNQCLSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@H]([N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000045769568 398684208 /nfs/dbraw/zinc/68/42/08/398684208.db2.gz XYCXIOUVJNWSSW-LBPRGKRZSA-N 1 0 319.405 2.850 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1[N+](=O)[O-] ZINC000590899590 398697619 /nfs/dbraw/zinc/69/76/19/398697619.db2.gz YTYUVLIQVLVBTF-WCQYABFASA-N 1 0 305.378 2.670 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2csc([N+](=O)[O-])c2)C1 ZINC000597856013 398705368 /nfs/dbraw/zinc/70/53/68/398705368.db2.gz UTSCRVRCDYAFIR-SNVBAGLBSA-N 1 0 311.407 2.507 20 5 DFBDRO CC(C)(C)OC(=O)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000174433530 198334717 /nfs/dbraw/zinc/33/47/17/198334717.db2.gz QHCOQTMJQROJIE-SOFGYWHQSA-N 1 0 306.362 2.929 20 5 DFBDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCn1cc([N+](=O)[O-])cn1)CCC2 ZINC000174858103 198394068 /nfs/dbraw/zinc/39/40/68/198394068.db2.gz SDDMAEKXWXTLHE-CYBMUJFWSA-N 1 0 321.406 2.566 20 5 DFBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)cccc1[N+](=O)[O-] ZINC000590970360 398710952 /nfs/dbraw/zinc/71/09/52/398710952.db2.gz ZYYABWORPFFWCP-GDBMZVCRSA-N 1 0 302.374 2.904 20 5 DFBDRO C[C@@H](CCNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000182256966 199411616 /nfs/dbraw/zinc/41/16/16/199411616.db2.gz ZDFFNISMCQNIBH-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415296081 295875961 /nfs/dbraw/zinc/87/59/61/295875961.db2.gz MKHIPTFNUGFHLT-QWHCGFSZSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1sc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000597926290 398722743 /nfs/dbraw/zinc/72/27/43/398722743.db2.gz XSMHONCPTUNCTL-SNVBAGLBSA-N 1 0 311.407 2.567 20 5 DFBDRO Cc1cc(NC(=O)NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000415417168 295882343 /nfs/dbraw/zinc/88/23/43/295882343.db2.gz LYRLNJJHCGWITQ-UHFFFAOYSA-N 1 0 306.366 2.686 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415487773 295887122 /nfs/dbraw/zinc/88/71/22/295887122.db2.gz UPEKXNNXFGYCIT-CHWSQXEVSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415576097 295891638 /nfs/dbraw/zinc/89/16/38/295891638.db2.gz FVNIVIWTRIYLJL-QWHCGFSZSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415579261 295891643 /nfs/dbraw/zinc/89/16/43/295891643.db2.gz JZMBKXSYWCRDHU-UHFFFAOYSA-N 1 0 318.377 2.643 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415575612 295891671 /nfs/dbraw/zinc/89/16/71/295891671.db2.gz FJLWGGOCZKZRMD-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO C[C@@H](CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+](C)C ZINC000597995825 398735090 /nfs/dbraw/zinc/73/50/90/398735090.db2.gz GNJIIQCUUOEMOR-JTQLQIEISA-N 1 0 321.402 2.880 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000276974007 213213473 /nfs/dbraw/zinc/21/34/73/213213473.db2.gz YCEVNEILRILWSI-FVQBIDKESA-N 1 0 302.374 2.950 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000073656692 191338061 /nfs/dbraw/zinc/33/80/61/191338061.db2.gz NNLGXXUKNNYDOH-GFCCVEGCSA-N 1 0 306.366 2.591 20 5 DFBDRO CNC(=O)c1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000074334067 398741418 /nfs/dbraw/zinc/74/14/18/398741418.db2.gz KUOHUYUBNGFSNS-LBPRGKRZSA-N 1 0 313.357 2.805 20 5 DFBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000047405022 398747169 /nfs/dbraw/zinc/74/71/69/398747169.db2.gz BCZQISPCMZIWMB-NSHDSACASA-N 1 0 308.338 2.647 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cncn1)CCCC2 ZINC000591348353 398750929 /nfs/dbraw/zinc/75/09/29/398750929.db2.gz WPPAVEFNWGYLGS-MRXNPFEDSA-N 1 0 315.377 2.634 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000591357454 398752318 /nfs/dbraw/zinc/75/23/18/398752318.db2.gz QYISHWLYVYEGGN-SRVKXCTJSA-N 1 0 306.362 2.858 20 5 DFBDRO COc1ccccc1[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(OC)c1 ZINC000591424727 398758649 /nfs/dbraw/zinc/75/86/49/398758649.db2.gz VJTZBVVZADADBO-CYBMUJFWSA-N 1 0 317.345 2.724 20 5 DFBDRO Cc1cc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c2cccc([N+](=O)[O-])c2n1 ZINC000591431159 398759576 /nfs/dbraw/zinc/75/95/76/398759576.db2.gz MKIDGOYRGPIQHE-OLZOCXBDSA-N 1 0 312.373 2.782 20 5 DFBDRO Cc1cc(N2C[C@H](C)[NH2+]C[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000591433965 398759188 /nfs/dbraw/zinc/75/91/88/398759188.db2.gz YOLAUNJVFWZFEI-RYUDHWBXSA-N 1 0 300.362 2.638 20 5 DFBDRO CC1([NH3+])CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1 ZINC000591434720 398760292 /nfs/dbraw/zinc/76/02/92/398760292.db2.gz LIZKSICHATXZMV-UHFFFAOYSA-N 1 0 303.284 2.931 20 5 DFBDRO Cc1nc(N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441672 398761751 /nfs/dbraw/zinc/76/17/51/398761751.db2.gz DBOOSMTZFJYMHI-KBPBESRZSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ncc1[N+](=O)[O-] ZINC000074726752 398762217 /nfs/dbraw/zinc/76/22/17/398762217.db2.gz WNCLIUHNCNGOOT-MRXNPFEDSA-N 1 0 312.373 2.791 20 5 DFBDRO C[N@@H+]1CCN(C(=O)c2csc([N+](=O)[O-])c2)C2(CCCCC2)C1 ZINC000080812285 192193151 /nfs/dbraw/zinc/19/31/51/192193151.db2.gz BYDAJKYSQYYZHD-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO C[NH+](C)C1CCC(Nc2ncnc3ccc([N+](=O)[O-])cc32)CC1 ZINC000591464360 398764377 /nfs/dbraw/zinc/76/43/77/398764377.db2.gz ZPBXEUJIVMOECA-UHFFFAOYSA-N 1 0 315.377 2.823 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594199263 398764407 /nfs/dbraw/zinc/76/44/07/398764407.db2.gz ITCYHRGERCJEHL-CABCVRRESA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC000594204681 398765689 /nfs/dbraw/zinc/76/56/89/398765689.db2.gz WQQGADSYDXSRAK-GOEBONIOSA-N 1 0 317.389 2.650 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000081363228 192257777 /nfs/dbraw/zinc/25/77/77/192257777.db2.gz AHSPGRCBTZIMED-CQSZACIVSA-N 1 0 319.405 2.707 20 5 DFBDRO CCOc1ccc([C@@H](C)NC[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577864 398773246 /nfs/dbraw/zinc/77/32/46/398773246.db2.gz JUQXSTKUBMSHRL-OCCSQVGLSA-N 1 0 307.394 2.786 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000598261894 398779698 /nfs/dbraw/zinc/77/96/98/398779698.db2.gz HXHOAPCXCUKGPH-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000591728264 398782695 /nfs/dbraw/zinc/78/26/95/398782695.db2.gz FMEZCNMDTDELDS-DYVFJYSZSA-N 1 0 300.358 2.849 20 5 DFBDRO CC[C@@H](NC(=O)[C@@H]1CC12CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000236929817 202076899 /nfs/dbraw/zinc/07/68/99/202076899.db2.gz LSZCZOITCBHZQB-LSDHHAIUSA-N 1 0 317.389 2.552 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922140 213177681 /nfs/dbraw/zinc/17/76/81/213177681.db2.gz PGGXUOMWJVFOHZ-BLLLJJGKSA-N 1 0 308.378 2.850 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416308999 295940688 /nfs/dbraw/zinc/94/06/88/295940688.db2.gz TVSIMUCZHIZNJG-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276828448 213119854 /nfs/dbraw/zinc/11/98/54/213119854.db2.gz ARGGHLVQXGLZSX-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO CCCNC(=O)C1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075596532 398812014 /nfs/dbraw/zinc/81/20/14/398812014.db2.gz DRNMFUWUNVIWPW-ZDUSSCGKSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCc2ccccc2C1 ZINC000075607225 398812411 /nfs/dbraw/zinc/81/24/11/398812411.db2.gz UYEZGDJIDIFCBM-ZDUSSCGKSA-N 1 0 312.373 2.849 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000598465279 398817217 /nfs/dbraw/zinc/81/72/17/398817217.db2.gz KWUKYKNTJBAOOP-CYBMUJFWSA-N 1 0 321.421 2.935 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CC[NH+](C2CCCC2)CC1 ZINC000051685387 398825637 /nfs/dbraw/zinc/82/56/37/398825637.db2.gz UUAJSJWKYXKWGQ-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO C[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000276712050 213060795 /nfs/dbraw/zinc/06/07/95/213060795.db2.gz YOYSDBCNPCCWKN-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)c(Br)c1 ZINC000051869990 398826239 /nfs/dbraw/zinc/82/62/39/398826239.db2.gz USUFVFRMSOCPGX-UHFFFAOYSA-N 1 0 315.167 2.736 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000598531317 398829052 /nfs/dbraw/zinc/82/90/52/398829052.db2.gz JINWMKHBRQLPHJ-GXTWGEPZSA-N 1 0 319.405 2.931 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CCC[N@@H+]3CCCC[C@H]13)CCN2 ZINC000594602512 398829249 /nfs/dbraw/zinc/82/92/49/398829249.db2.gz QUTRQPURBYRLEJ-LSDHHAIUSA-N 1 0 316.405 2.992 20 5 DFBDRO O=C(NCC1CC[NH+](CC2CC2)CC1)c1csc([N+](=O)[O-])c1 ZINC000598537819 398829638 /nfs/dbraw/zinc/82/96/38/398829638.db2.gz QBQPDSZKZDFPKV-UHFFFAOYSA-N 1 0 323.418 2.508 20 5 DFBDRO CCOc1cncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000598638177 398845185 /nfs/dbraw/zinc/84/51/85/398845185.db2.gz QEPTXVUWXMIKRM-UHFFFAOYSA-N 1 0 301.346 2.987 20 5 DFBDRO COC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594712696 398847494 /nfs/dbraw/zinc/84/74/94/398847494.db2.gz VXSYVFWHRHRJDQ-IUODEOHRSA-N 1 0 308.378 2.687 20 5 DFBDRO [NH3+]C1(CNCc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000594738815 398853174 /nfs/dbraw/zinc/85/31/74/398853174.db2.gz OFKFLXSJDYXTDB-UHFFFAOYSA-N 1 0 315.320 2.557 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780198 299274478 /nfs/dbraw/zinc/27/44/78/299274478.db2.gz MHDVFXWTTBBTLM-WCQYABFASA-N 1 0 321.377 2.666 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000076664461 398864835 /nfs/dbraw/zinc/86/48/35/398864835.db2.gz YRMZTTDCPPUNIK-OAHLLOKOSA-N 1 0 314.389 2.883 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000076664468 398864870 /nfs/dbraw/zinc/86/48/70/398864870.db2.gz YRMZTTDCPPUNIK-HNNXBMFYSA-N 1 0 314.389 2.883 20 5 DFBDRO C[NH+](C)CC(C)(C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134518117 398865614 /nfs/dbraw/zinc/86/56/14/398865614.db2.gz HIGPOVOCCILVLJ-UHFFFAOYSA-N 1 0 313.785 2.566 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+](C[C@H](O)Cc1ccccc1)C2 ZINC000153139025 283354359 /nfs/dbraw/zinc/35/43/59/283354359.db2.gz KBPQKDBAUCFYDV-MRXNPFEDSA-N 1 0 312.369 2.557 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000180587635 199180497 /nfs/dbraw/zinc/18/04/97/199180497.db2.gz NWJIOUJXZUWNHB-OAHLLOKOSA-N 1 0 320.393 2.707 20 5 DFBDRO Cc1nn(C)c(NCCCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000076795429 398870391 /nfs/dbraw/zinc/87/03/91/398870391.db2.gz UZIDKQWHHLNLHR-LBPRGKRZSA-N 1 0 309.414 2.703 20 5 DFBDRO Cn1ncc(C2CCC2)c1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000594927859 398873728 /nfs/dbraw/zinc/87/37/28/398873728.db2.gz AGNILUVWDZBIGR-UHFFFAOYSA-N 1 0 314.389 2.928 20 5 DFBDRO COC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000594955769 398881094 /nfs/dbraw/zinc/88/10/94/398881094.db2.gz ARBYMGGMDYPVSU-LEXSJLIMSA-N 1 0 320.389 2.639 20 5 DFBDRO CC(C)([NH2+]CCn1ccc([N+](=O)[O-])n1)c1ccc(F)c(F)c1 ZINC000180857840 199219137 /nfs/dbraw/zinc/21/91/37/199219137.db2.gz HBSWMOLFZOTSPU-UHFFFAOYSA-N 1 0 310.304 2.594 20 5 DFBDRO Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2csc([N+](=O)[O-])c2)cn1 ZINC000594979079 398885328 /nfs/dbraw/zinc/88/53/28/398885328.db2.gz HYKALXWBWWHVJE-KGLIPLIRSA-N 1 0 320.418 2.891 20 5 DFBDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000594979072 398885834 /nfs/dbraw/zinc/88/58/34/398885834.db2.gz HRXUZEYJXOJZDE-RDJZCZTQSA-N 1 0 314.389 2.829 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)CC1CC1 ZINC000594983132 398886604 /nfs/dbraw/zinc/88/66/04/398886604.db2.gz LBHWDYPKRQLEBP-VXXVJXPCSA-N 1 0 304.390 2.996 20 5 DFBDRO Cc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)cc1[N+](=O)[O-] ZINC000594988098 398886896 /nfs/dbraw/zinc/88/68/96/398886896.db2.gz YRNFRAHWAARXGY-UHFFFAOYSA-N 1 0 300.362 2.804 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NCc2cc([N+](=O)[O-])ccc2OCC)C1 ZINC000594992816 398888024 /nfs/dbraw/zinc/88/80/24/398888024.db2.gz YOSPOQZNBDBOLJ-AWEZNQCLSA-N 1 0 307.394 2.567 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CC(CO)C2)o1 ZINC000595001628 398889220 /nfs/dbraw/zinc/88/92/20/398889220.db2.gz YTUMELCDWNRPMB-UHFFFAOYSA-N 1 0 302.330 2.715 20 5 DFBDRO Cc1ccc(C[NH2+]CC2(O)CCC(F)(F)CC2)cc1[N+](=O)[O-] ZINC000595000763 398889581 /nfs/dbraw/zinc/88/95/81/398889581.db2.gz ONSFLWUOYZNPEQ-UHFFFAOYSA-N 1 0 314.332 2.933 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004660 398890025 /nfs/dbraw/zinc/89/00/25/398890025.db2.gz QXAAWBFYBCSFHC-TZMCWYRMSA-N 1 0 307.394 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000595006035 398890090 /nfs/dbraw/zinc/89/00/90/398890090.db2.gz FFZYEBBRDATMTO-QWHCGFSZSA-N 1 0 319.405 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCC[NH+]1CCC(C)CC1 ZINC000595006716 398890443 /nfs/dbraw/zinc/89/04/43/398890443.db2.gz IXEPIOVYMOIGQF-CQSZACIVSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000595015491 398891507 /nfs/dbraw/zinc/89/15/07/398891507.db2.gz OIWOGDUORVPQMI-JTQLQIEISA-N 1 0 302.371 2.784 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCC[N@@H+]1CC[C@H](C)C1 ZINC000595013979 398891644 /nfs/dbraw/zinc/89/16/44/398891644.db2.gz SYIABSNYBXUJDM-STQMWFEESA-N 1 0 307.394 2.596 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@H](C)C[NH+]1CCCC1 ZINC000595017264 398892454 /nfs/dbraw/zinc/89/24/54/398892454.db2.gz LFMZACRTQUEFHD-KBPBESRZSA-N 1 0 321.421 2.986 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)C[NH+]1CCCC1 ZINC000595017265 398892401 /nfs/dbraw/zinc/89/24/01/398892401.db2.gz LFMZACRTQUEFHD-KGLIPLIRSA-N 1 0 321.421 2.986 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000598915462 398892897 /nfs/dbraw/zinc/89/28/97/398892897.db2.gz MGMUVVQAVPCNNS-SWLSCSKDSA-N 1 0 318.377 2.591 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N[C@H]1CCCC[NH2+]C1 ZINC000598915802 398892915 /nfs/dbraw/zinc/89/29/15/398892915.db2.gz PEQSTXOOBPLJLQ-VIFPVBQESA-N 1 0 312.757 2.512 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC12CC[NH2+]CC2 ZINC000598915412 398892924 /nfs/dbraw/zinc/89/29/24/398892924.db2.gz LPEFAWURQDUZCW-UHFFFAOYSA-N 1 0 324.768 2.608 20 5 DFBDRO CC(C)[NH2+]CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915139 398892934 /nfs/dbraw/zinc/89/29/34/398892934.db2.gz ILVLSJFEEBLNNM-UHFFFAOYSA-N 1 0 314.773 2.758 20 5 DFBDRO [NH3+]C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000598915947 398892941 /nfs/dbraw/zinc/89/29/41/398892941.db2.gz RBZAVCBDHSEYPB-UHFFFAOYSA-N 1 0 312.757 2.640 20 5 DFBDRO C[C@@H]1CC2(CN1C(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000598914025 398892948 /nfs/dbraw/zinc/89/29/48/398892948.db2.gz VPZQEOANPAALBL-GFCCVEGCSA-N 1 0 318.377 2.591 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000595030204 398895044 /nfs/dbraw/zinc/89/50/44/398895044.db2.gz YPINTUDLXYIJNA-DVOMOZLQSA-N 1 0 321.421 2.983 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000595041962 398896693 /nfs/dbraw/zinc/89/66/93/398896693.db2.gz RNRCMEYXXYSSAC-GFCCVEGCSA-N 1 0 308.378 2.949 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000595043102 398896791 /nfs/dbraw/zinc/89/67/91/398896791.db2.gz GPACWZPIBUZQDP-GFCCVEGCSA-N 1 0 316.357 2.947 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000595042540 398896796 /nfs/dbraw/zinc/89/67/96/398896796.db2.gz AEABGFSPOCJZLL-XQQFMLRXSA-N 1 0 308.378 2.805 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+]Cc2csc(C(F)(F)F)c2)c1 ZINC000598968071 398899982 /nfs/dbraw/zinc/89/99/82/398899982.db2.gz SLQZBWVRGWJZEP-UHFFFAOYSA-N 1 0 320.296 2.661 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H]1CCOC1 ZINC000595062305 398900277 /nfs/dbraw/zinc/90/02/77/398900277.db2.gz VXTQBTLIBXBCSU-WOSRLPQWSA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCOC1 ZINC000595058989 398899738 /nfs/dbraw/zinc/89/97/38/398899738.db2.gz DXFCQMPAFLSAHS-KBRIMQKVSA-N 1 0 320.389 2.613 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)cccc1[N+](=O)[O-] ZINC000089592847 192823053 /nfs/dbraw/zinc/82/30/53/192823053.db2.gz DVWWGDWIQVOTCY-KGLIPLIRSA-N 1 0 319.405 2.955 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595069014 398901718 /nfs/dbraw/zinc/90/17/18/398901718.db2.gz MICWKVLMVSJJPO-NOZJJQNGSA-N 1 0 316.304 2.678 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000595069173 398901899 /nfs/dbraw/zinc/90/18/99/398901899.db2.gz NOVJYSYTKHBFNL-CJNGLKHVSA-N 1 0 322.405 2.995 20 5 DFBDRO COC(=O)[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470176726 299293026 /nfs/dbraw/zinc/29/30/26/299293026.db2.gz YLGYZPZEZFVJOX-GLNPCMGASA-N 1 0 318.373 2.883 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000077511028 398907929 /nfs/dbraw/zinc/90/79/29/398907929.db2.gz MNYRVUAJPBYFGS-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO [NH3+]C[C@@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000178491694 283457596 /nfs/dbraw/zinc/45/75/96/283457596.db2.gz NKQLKLDAPQWRNN-LBPRGKRZSA-N 1 0 319.386 2.763 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595232829 398911564 /nfs/dbraw/zinc/91/15/64/398911564.db2.gz ADCKZDSJWQFTJS-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000187571758 200129100 /nfs/dbraw/zinc/12/91/00/200129100.db2.gz BTTXWVJLQCCTRU-KRWDZBQOSA-N 1 0 322.405 2.978 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000599049966 398913379 /nfs/dbraw/zinc/91/33/79/398913379.db2.gz HBPFHRFKPALKKP-AWEZNQCLSA-N 1 0 310.357 2.594 20 5 DFBDRO O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595254468 398913524 /nfs/dbraw/zinc/91/35/24/398913524.db2.gz XBZBUDUGXFMDKT-INIZCTEOSA-N 1 0 323.352 2.719 20 5 DFBDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCc2c1cccc2[N+](=O)[O-] ZINC000595248379 398912759 /nfs/dbraw/zinc/91/27/59/398912759.db2.gz FFQQTWAZSLZPMV-OAHLLOKOSA-N 1 0 323.352 2.719 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc3cnccc3c2[N+](=O)[O-])C1 ZINC000599063241 398915635 /nfs/dbraw/zinc/91/56/35/398915635.db2.gz XZNHWNOJYWLXIX-XHDPSFHLSA-N 1 0 300.362 2.895 20 5 DFBDRO CN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065370 398915774 /nfs/dbraw/zinc/91/57/74/398915774.db2.gz JEWMKUNOZHOSRI-OIISXLGYSA-N 1 0 317.433 2.990 20 5 DFBDRO Cc1ncccc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000599072449 398916948 /nfs/dbraw/zinc/91/69/48/398916948.db2.gz FAYUKCFJUINWOC-GJZGRUSLSA-N 1 0 315.377 2.768 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000188103900 200194361 /nfs/dbraw/zinc/19/43/61/200194361.db2.gz IHRWVLCUHRQCJQ-OCCSQVGLSA-N 1 0 306.362 2.534 20 5 DFBDRO C[NH+](C)[C@@H]1[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21 ZINC000599083355 398918480 /nfs/dbraw/zinc/91/84/80/398918480.db2.gz JIJQYURMNACWLW-UOIKSKOESA-N 1 0 324.384 2.653 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2ccc[nH]c2=O)cc1[N+](=O)[O-] ZINC000599089034 398919237 /nfs/dbraw/zinc/91/92/37/398919237.db2.gz WIRPTTIDIKSRKZ-LLVKDONJSA-N 1 0 317.345 2.945 20 5 DFBDRO CC[C@@H]([NH2+]CCN(C)CC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000599089958 398919611 /nfs/dbraw/zinc/91/96/11/398919611.db2.gz QVOIUTBMZUBCFM-CYBMUJFWSA-N 1 0 301.337 2.832 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)cccc1[N+](=O)[O-] ZINC000599092060 398919914 /nfs/dbraw/zinc/91/99/14/398919914.db2.gz DTWJLHBWMLRYHE-DOMZBBRYSA-N 1 0 317.389 2.707 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595312273 398920857 /nfs/dbraw/zinc/92/08/57/398920857.db2.gz SEKPEEXAWOXKGS-LSDHHAIUSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1cc(C(=O)NCC[NH2+]C2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000237727999 202339854 /nfs/dbraw/zinc/33/98/54/202339854.db2.gz XHHSPYVDDLATHB-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO COC(=O)CN(Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595347447 398925032 /nfs/dbraw/zinc/92/50/32/398925032.db2.gz PEPKGULDVHWKQD-UHFFFAOYSA-N 1 0 310.325 2.652 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000237850966 202370987 /nfs/dbraw/zinc/37/09/87/202370987.db2.gz RNHFTTQTDZTHDA-GFCCVEGCSA-N 1 0 317.311 2.569 20 5 DFBDRO CCc1nn(C)c(NC[C@H]2CC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000599126477 398925380 /nfs/dbraw/zinc/92/53/80/398925380.db2.gz HSJCIKBPGUENMF-CYBMUJFWSA-N 1 0 321.425 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)nc1 ZINC000595370206 398927949 /nfs/dbraw/zinc/92/79/49/398927949.db2.gz DMWCKJAYEUEEBH-XJFOESAGSA-N 1 0 302.378 2.522 20 5 DFBDRO Cc1ccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000055402036 398929707 /nfs/dbraw/zinc/92/97/07/398929707.db2.gz CZDSNEGVPKHFMA-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO CN1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000417312416 296008973 /nfs/dbraw/zinc/00/89/73/296008973.db2.gz NQZGDXCRPJUKDF-XJKSGUPXSA-N 1 0 317.389 2.573 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C(F)F)CCCC2 ZINC000417313046 296009022 /nfs/dbraw/zinc/00/90/22/296009022.db2.gz OOPQGCXKOLSDMJ-STQMWFEESA-N 1 0 300.305 2.578 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cnccn1)CCCC2 ZINC000417314028 296009281 /nfs/dbraw/zinc/00/92/81/296009281.db2.gz XWHUPAWNHCLDRB-KRWDZBQOSA-N 1 0 312.373 2.985 20 5 DFBDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595393501 398931458 /nfs/dbraw/zinc/93/14/58/398931458.db2.gz QKUSDIJOMUSOAC-CZUORRHYSA-N 1 0 324.352 2.945 20 5 DFBDRO COc1ccc(OCC[NH+]2C[C@H]3CCC[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000152700352 398932963 /nfs/dbraw/zinc/93/29/63/398932963.db2.gz ARXPNQLSPWPMPJ-CHWSQXEVSA-N 1 0 306.362 2.714 20 5 DFBDRO COCCOCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347930 296012469 /nfs/dbraw/zinc/01/24/69/296012469.db2.gz XZCJOQKCYLILPR-INIZCTEOSA-N 1 0 308.378 2.615 20 5 DFBDRO CCN1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349787 296012612 /nfs/dbraw/zinc/01/26/12/296012612.db2.gz MMIUTCZXWXYENE-XJKSGUPXSA-N 1 0 317.389 2.573 20 5 DFBDRO CC(=O)c1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)[nH]c1C ZINC000595413382 398934373 /nfs/dbraw/zinc/93/43/73/398934373.db2.gz AAQFYKMLTGIFON-JTQLQIEISA-N 1 0 316.361 2.722 20 5 DFBDRO CC(C)(C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)OCCO ZINC000417353665 296013011 /nfs/dbraw/zinc/01/30/11/296013011.db2.gz XVKPGQLUCYAZNA-MRXNPFEDSA-N 1 0 322.405 2.739 20 5 DFBDRO Cc1cc(N[C@@H]2CO[C@H](C3CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000599181765 398935802 /nfs/dbraw/zinc/93/58/02/398935802.db2.gz UFXLXJAWEQRKIV-SJCJKPOMSA-N 1 0 313.357 2.853 20 5 DFBDRO Cc1noc(CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429068 398936548 /nfs/dbraw/zinc/93/65/48/398936548.db2.gz BGYCWKJQXLPLSP-AAEUAGOBSA-N 1 0 322.409 2.634 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000272020976 209392226 /nfs/dbraw/zinc/39/22/26/209392226.db2.gz LIGVXNVHMNAJTI-FZMZJTMJSA-N 1 0 312.391 2.868 20 5 DFBDRO C[N@@H+]1CC[C@]2(C1)CCCN(CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507778 398953071 /nfs/dbraw/zinc/95/30/71/398953071.db2.gz QPSXRWLDURWWIE-KRWDZBQOSA-N 1 0 303.406 2.555 20 5 DFBDRO COc1cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505195 398952410 /nfs/dbraw/zinc/95/24/10/398952410.db2.gz QNQWXHBJXGDPIB-QGZVFWFLSA-N 1 0 319.405 2.521 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000157610972 398954964 /nfs/dbraw/zinc/95/49/64/398954964.db2.gz CESXARURWLCMDO-MNOVXSKESA-N 1 0 321.377 2.709 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595526580 398957529 /nfs/dbraw/zinc/95/75/29/398957529.db2.gz UDSMOOORPOKYHM-OLZOCXBDSA-N 1 0 310.325 2.555 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1 ZINC000078506558 398961088 /nfs/dbraw/zinc/96/10/88/398961088.db2.gz HPFZHWOQFWZZCE-HNNXBMFYSA-N 1 0 312.373 2.701 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000063193127 296027456 /nfs/dbraw/zinc/02/74/56/296027456.db2.gz PWCUQFUJWPUQLF-BXKDBHETSA-N 1 0 311.769 2.590 20 5 DFBDRO CCOc1cc(CN(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281395237 216271076 /nfs/dbraw/zinc/27/10/76/216271076.db2.gz QBPOZDCVPDPACP-UHFFFAOYSA-N 1 0 321.421 2.911 20 5 DFBDRO CCO[C@@H]1CCCN(Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000613380315 398966528 /nfs/dbraw/zinc/96/65/28/398966528.db2.gz DMRPWCLOLJWYBV-GFCCVEGCSA-N 1 0 312.341 2.743 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000078584071 398970169 /nfs/dbraw/zinc/97/01/69/398970169.db2.gz XYRHQXFMGZYPMB-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(CO)c1 ZINC000271879591 209290199 /nfs/dbraw/zinc/29/01/99/209290199.db2.gz HZOONOAXPAYXBR-ZDUSSCGKSA-N 1 0 300.358 2.980 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000193485824 201060205 /nfs/dbraw/zinc/06/02/05/201060205.db2.gz LYLSSHVEVUGARP-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO Cc1cnc(NC[C@H](Cc2ccccc2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000078625596 398974847 /nfs/dbraw/zinc/97/48/47/398974847.db2.gz QHBYLESZAIXGIR-HNNXBMFYSA-N 1 0 314.389 2.883 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1cccc([N+](=O)[O-])c1 ZINC000193921017 201147286 /nfs/dbraw/zinc/14/72/86/201147286.db2.gz ZOQZNJGIKZGYQJ-IUODEOHRSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000194173100 201191770 /nfs/dbraw/zinc/19/17/70/201191770.db2.gz DNXPVOJLCQWODS-DOMZBBRYSA-N 1 0 307.394 2.940 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000194425103 201223729 /nfs/dbraw/zinc/22/37/29/201223729.db2.gz KVNJQADNOQWHTO-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO CN(Cc1c(F)cccc1[N+](=O)[O-])[C@@H](CO)Cc1ccccc1 ZINC000595597606 398991205 /nfs/dbraw/zinc/99/12/05/398991205.db2.gz STIXKORBWJLCHO-CQSZACIVSA-N 1 0 318.348 2.769 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000165857675 398991468 /nfs/dbraw/zinc/99/14/68/398991468.db2.gz GYERIWLFTVFECF-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000194821610 201294988 /nfs/dbraw/zinc/29/49/88/201294988.db2.gz DZABLJWYVLQZSZ-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000195036754 201330104 /nfs/dbraw/zinc/33/01/04/201330104.db2.gz OTVSYFDZVCVRIW-UHFFFAOYSA-N 1 0 319.405 2.896 20 5 DFBDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000248615002 283719026 /nfs/dbraw/zinc/71/90/26/283719026.db2.gz YSPXPRDZPFPRJB-KBMXLJTQSA-N 1 0 321.421 2.807 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+][C@H](CO)C3CCC3)co2)cc1 ZINC000595616251 399003118 /nfs/dbraw/zinc/00/31/18/399003118.db2.gz LXLLRNMDAODRCF-OAHLLOKOSA-N 1 0 317.345 2.500 20 5 DFBDRO CC[C@@H](NC(=O)NC(C)(C)CCC[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417848256 296057870 /nfs/dbraw/zinc/05/78/70/296057870.db2.gz KJJXANDAPALXKS-CQSZACIVSA-N 1 0 322.409 2.863 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000417859780 296058595 /nfs/dbraw/zinc/05/85/95/296058595.db2.gz WYYWRYCLTYGNAA-QWHCGFSZSA-N 1 0 322.409 2.781 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000595631426 399011816 /nfs/dbraw/zinc/01/18/16/399011816.db2.gz ICCIOGMZQCMUAG-NUEKZKHPSA-N 1 0 322.405 2.559 20 5 DFBDRO O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+](C1CC1)C1CC1 ZINC000599599578 399027315 /nfs/dbraw/zinc/02/73/15/399027315.db2.gz MCWUNFCFGXPXHO-UHFFFAOYSA-N 1 0 317.345 2.520 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595670592 399027631 /nfs/dbraw/zinc/02/76/31/399027631.db2.gz FILGNGDCVINWQT-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595670591 399027710 /nfs/dbraw/zinc/02/77/10/399027710.db2.gz FILGNGDCVINWQT-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595680335 399032469 /nfs/dbraw/zinc/03/24/69/399032469.db2.gz ZMPRKHJDGDCHSY-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000599625735 399033875 /nfs/dbraw/zinc/03/38/75/399033875.db2.gz NPPUXTZNTNMLBL-HTQGBYLWSA-N 1 0 312.341 2.644 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000600315350 399032710 /nfs/dbraw/zinc/03/27/10/399032710.db2.gz SKXNVUHOZSHFAO-CQSZACIVSA-N 1 0 319.405 2.673 20 5 DFBDRO CCC[NH+](CCC)CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000171109039 399035284 /nfs/dbraw/zinc/03/52/84/399035284.db2.gz YEERGBMQWICWLG-UHFFFAOYSA-N 1 0 313.423 2.898 20 5 DFBDRO Cc1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000092046790 193147423 /nfs/dbraw/zinc/14/74/23/193147423.db2.gz ONNWKUMVWFBBGA-MRXNPFEDSA-N 1 0 303.406 2.963 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000599673934 399057458 /nfs/dbraw/zinc/05/74/58/399057458.db2.gz WKOYKKSEUYJPHR-OAHLLOKOSA-N 1 0 320.389 2.601 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000595729073 399058236 /nfs/dbraw/zinc/05/82/36/399058236.db2.gz PSWJGEFRKJBKDS-XEZPLFJOSA-N 1 0 317.389 2.565 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cccc1[N+](=O)[O-] ZINC000600473138 399058816 /nfs/dbraw/zinc/05/88/16/399058816.db2.gz ROJNFMSAFMQLPJ-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000171842902 399059697 /nfs/dbraw/zinc/05/96/97/399059697.db2.gz KOROROCWWRCDBN-CQSZACIVSA-N 1 0 318.320 2.693 20 5 DFBDRO CCC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000360835173 283935618 /nfs/dbraw/zinc/93/56/18/283935618.db2.gz NIDCVPYHOWXKHC-IRXDYDNUSA-N 1 0 322.405 2.813 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418467740 296098384 /nfs/dbraw/zinc/09/83/84/296098384.db2.gz PCOQYOPXKQSDJJ-ZDUSSCGKSA-N 1 0 322.409 2.647 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755263 399070183 /nfs/dbraw/zinc/07/01/83/399070183.db2.gz JXFTTXWQEKSDTI-OLZOCXBDSA-N 1 0 323.368 2.993 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595756766 399071924 /nfs/dbraw/zinc/07/19/24/399071924.db2.gz WPTHSMPRSRPVJQ-CHWSQXEVSA-N 1 0 323.368 2.993 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc(-c2cccc([N+](=O)[O-])c2)no1)C1CC1 ZINC000595766649 399076442 /nfs/dbraw/zinc/07/64/42/399076442.db2.gz YHXKLWSTOUYXGE-ZDUSSCGKSA-N 1 0 302.334 2.923 20 5 DFBDRO CC(C)(CNC(=O)Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000058115745 399075006 /nfs/dbraw/zinc/07/50/06/399075006.db2.gz JWGSQPNGLRCCBB-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C12CCC2 ZINC000595777032 399081001 /nfs/dbraw/zinc/08/10/01/399081001.db2.gz FFCSDXPHYUHCSC-UONOGXRCSA-N 1 0 322.409 2.507 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)c1[N+](=O)[O-] ZINC000595785789 399084768 /nfs/dbraw/zinc/08/47/68/399084768.db2.gz GOWMXIIVEZJJJH-CHWSQXEVSA-N 1 0 309.366 2.672 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305151365 284037129 /nfs/dbraw/zinc/03/71/29/284037129.db2.gz ADUCHSKUFVSTQD-ZIAGYGMSSA-N 1 0 322.405 2.975 20 5 DFBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CCCCC2)c1[N+](=O)[O-] ZINC000058847275 399097567 /nfs/dbraw/zinc/09/75/67/399097567.db2.gz DKFCYDPXDFVLQX-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000261616567 203080381 /nfs/dbraw/zinc/08/03/81/203080381.db2.gz AIBJAYMNQATJFA-FPMFFAJLSA-N 1 0 305.378 2.598 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830181 399101958 /nfs/dbraw/zinc/10/19/58/399101958.db2.gz CZCSEPNFIFDGAD-ZIAGYGMSSA-N 1 0 317.389 2.600 20 5 DFBDRO CC(C)CC1([NH2+]CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000595831054 399104016 /nfs/dbraw/zinc/10/40/16/399104016.db2.gz LNFWNMSUGLNORB-UHFFFAOYSA-N 1 0 317.389 2.652 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000419319884 296134492 /nfs/dbraw/zinc/13/44/92/296134492.db2.gz PDTPVANDFGJBGY-LSDHHAIUSA-N 1 0 319.405 2.972 20 5 DFBDRO C[C@@H]1C[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC000419370469 296137384 /nfs/dbraw/zinc/13/73/84/296137384.db2.gz JPLFIUTYXQQIOR-AGIUHOORSA-N 1 0 305.378 2.900 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCSC2)n1 ZINC000448027827 297330032 /nfs/dbraw/zinc/33/00/32/297330032.db2.gz NWCQSGIISIVART-JHJVBQTASA-N 1 0 310.423 2.618 20 5 DFBDRO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595850597 399112471 /nfs/dbraw/zinc/11/24/71/399112471.db2.gz MLEFZTMPJIXHQC-ZFWWWQNUSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000060207904 399118838 /nfs/dbraw/zinc/11/88/38/399118838.db2.gz GVWVRRZJQNZHIZ-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595872140 399119193 /nfs/dbraw/zinc/11/91/93/399119193.db2.gz CSWRPPKIHBGKTJ-UHFFFAOYSA-N 1 0 309.410 2.813 20 5 DFBDRO CCCN(C)CC(C)(C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595873676 399119345 /nfs/dbraw/zinc/11/93/45/399119345.db2.gz PTLAOVWAGIAGIU-UHFFFAOYSA-N 1 0 309.410 2.684 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712349 399119963 /nfs/dbraw/zinc/11/99/63/399119963.db2.gz XEWQINSVOLABHZ-WBMJQRKESA-N 1 0 319.405 2.929 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H](N[C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705780 399120823 /nfs/dbraw/zinc/12/08/23/399120823.db2.gz AFZSVHWNTSDPMM-HZPDHXFCSA-N 1 0 301.390 2.846 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(C)CC1=CCSC1 ZINC000595889284 399124062 /nfs/dbraw/zinc/12/40/62/399124062.db2.gz UFGDLKHDCAPITN-NSHDSACASA-N 1 0 321.402 2.527 20 5 DFBDRO CN(CC(C)(C)C[NH3+])c1ccc(Br)cc1[N+](=O)[O-] ZINC000093874607 193322667 /nfs/dbraw/zinc/32/26/67/193322667.db2.gz ZEHZMMWCWCJZCH-UHFFFAOYSA-N 1 0 316.199 2.778 20 5 DFBDRO COCC1CCC([NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 ZINC000419821111 296149506 /nfs/dbraw/zinc/14/95/06/296149506.db2.gz OZQILZIPXVHEBZ-UHFFFAOYSA-N 1 0 324.377 2.604 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904786 399129416 /nfs/dbraw/zinc/12/94/16/399129416.db2.gz LACLIIVYCUWADR-PBHICJAKSA-N 1 0 321.421 2.698 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCC[NH2+]C1CCCCC1 ZINC000419910721 296151283 /nfs/dbraw/zinc/15/12/83/296151283.db2.gz QPLORHLUMCRHLU-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420115987 296158754 /nfs/dbraw/zinc/15/87/54/296158754.db2.gz FWBQCBIZUKBULG-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000600759757 399137490 /nfs/dbraw/zinc/13/74/90/399137490.db2.gz HNABQYQKSJZVAX-HIFRSBDPSA-N 1 0 320.389 2.504 20 5 DFBDRO C[NH2+][C@H]1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000420170081 296160428 /nfs/dbraw/zinc/16/04/28/296160428.db2.gz RCJXBUWBPLCHOS-VIFPVBQESA-N 1 0 303.284 2.720 20 5 DFBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000420154157 296159718 /nfs/dbraw/zinc/15/97/18/296159718.db2.gz CABMGMGPUQOWHK-ZJUUUORDSA-N 1 0 315.320 2.996 20 5 DFBDRO Cc1cc(N2CCC(C[NH3+])CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000420181795 296160801 /nfs/dbraw/zinc/16/08/01/296160801.db2.gz IPQLRLZUDJLPHS-UHFFFAOYSA-N 1 0 300.362 2.627 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1 ZINC000420185471 296161092 /nfs/dbraw/zinc/16/10/92/296161092.db2.gz JPJUTNVEZICQEC-ZDUSSCGKSA-N 1 0 312.373 2.703 20 5 DFBDRO CC[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000420198984 296161883 /nfs/dbraw/zinc/16/18/83/296161883.db2.gz CSJADLIUJVVIHU-UHFFFAOYSA-N 1 0 305.378 2.623 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(C(=O)OCC)c1 ZINC000420201547 296161989 /nfs/dbraw/zinc/16/19/89/296161989.db2.gz HSHPVZQODQZJLE-LBPRGKRZSA-N 1 0 309.366 2.701 20 5 DFBDRO CCCC[C@@H](C[NH3+])Nc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000420214399 296162657 /nfs/dbraw/zinc/16/26/57/296162657.db2.gz ZVNRFXKWJRTLQF-ZDUSSCGKSA-N 1 0 322.409 2.662 20 5 DFBDRO COCC[NH2+]CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420216653 296162892 /nfs/dbraw/zinc/16/28/92/296162892.db2.gz FATFWDUMLXCKEX-UHFFFAOYSA-N 1 0 308.165 2.550 20 5 DFBDRO Cc1cc(N2C[C@@H](C[NH3+])C[C@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420220301 296163211 /nfs/dbraw/zinc/16/32/11/296163211.db2.gz RZXGCQFCBBUSMN-VXGBXAGGSA-N 1 0 300.362 2.625 20 5 DFBDRO CC(C)(C[NH3+])c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1 ZINC000600783058 399144440 /nfs/dbraw/zinc/14/44/40/399144440.db2.gz QIZMHCAOAVQQBG-UHFFFAOYSA-N 1 0 300.358 2.990 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000420231817 296164285 /nfs/dbraw/zinc/16/42/85/296164285.db2.gz AZOGMOXEZVOAQN-SECBINFHSA-N 1 0 301.293 2.750 20 5 DFBDRO [NH3+]CC[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420242348 296165187 /nfs/dbraw/zinc/16/51/87/296165187.db2.gz NCKWBEWXUNWVLZ-LBPRGKRZSA-N 1 0 300.362 2.708 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420246885 296165407 /nfs/dbraw/zinc/16/54/07/296165407.db2.gz NPLJCUHBDCWNTI-SCZZXKLOSA-N 1 0 301.293 2.749 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000264577114 204006482 /nfs/dbraw/zinc/00/64/82/204006482.db2.gz ISXCDZSNCYMTFX-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1ccc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264589310 204013935 /nfs/dbraw/zinc/01/39/35/204013935.db2.gz LJGPUQGEAULXMT-HNNXBMFYSA-N 1 0 319.405 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)nc1-c1ccccc1 ZINC000420253733 296166163 /nfs/dbraw/zinc/16/61/63/296166163.db2.gz BSBVMVYCZWVHCP-GJZGRUSLSA-N 1 0 324.384 2.845 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000264619723 204033458 /nfs/dbraw/zinc/03/34/58/204033458.db2.gz RJNINVGWGOQTTP-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNc1ncc([N+](=O)[O-])cc1Br ZINC000596029792 399151235 /nfs/dbraw/zinc/15/12/35/399151235.db2.gz ALTGOVNNDQKDQC-SNVBAGLBSA-N 1 0 317.187 2.538 20 5 DFBDRO CC(=O)c1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000420263457 296167048 /nfs/dbraw/zinc/16/70/48/296167048.db2.gz SRSURRHULOHGRZ-AWEZNQCLSA-N 1 0 317.389 2.623 20 5 DFBDRO CC[NH2+]Cc1cccc(-c2cc([N+](=O)[O-])ccc2CCO)c1 ZINC000600791828 399148651 /nfs/dbraw/zinc/14/86/51/399148651.db2.gz IHNFZDCZMBIJHA-UHFFFAOYSA-N 1 0 300.358 2.906 20 5 DFBDRO CC(=O)c1ccc(NC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000420264670 296167259 /nfs/dbraw/zinc/16/72/59/296167259.db2.gz UIYZGVGCQILJRK-JOCQHMNTSA-N 1 0 305.378 2.974 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420270440 296167901 /nfs/dbraw/zinc/16/79/01/296167901.db2.gz YWKPKRCVRKBLGD-DTWKUNHWSA-N 1 0 316.188 2.947 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000007976023 181514040 /nfs/dbraw/zinc/51/40/40/181514040.db2.gz ZNXMKGOFYUYQAV-HNNXBMFYSA-N 1 0 308.378 2.601 20 5 DFBDRO Cc1cc(N[C@@H]2CC[C@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420265650 296167322 /nfs/dbraw/zinc/16/73/22/296167322.db2.gz FBGBKYJJSBFDBG-NWDGAFQWSA-N 1 0 300.362 2.991 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)C[C@@H]1[NH3+] ZINC000420268062 296167383 /nfs/dbraw/zinc/16/73/83/296167383.db2.gz DMWUGCMVMKTAMN-MFKMUULPSA-N 1 0 316.336 2.579 20 5 DFBDRO COC(=O)c1cc(N[C@H](C[NH3+])C2CCCC2)cc(C)c1[N+](=O)[O-] ZINC000420275502 296168330 /nfs/dbraw/zinc/16/83/30/296168330.db2.gz KZWHZJIDPOOHQY-CQSZACIVSA-N 1 0 321.377 2.619 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420284346 296169085 /nfs/dbraw/zinc/16/90/85/296169085.db2.gz UONNXOMMYPUCOM-PSASIEDQSA-N 1 0 303.284 2.705 20 5 DFBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC000596055725 399156567 /nfs/dbraw/zinc/15/65/67/399156567.db2.gz MYODMKLMACLZNG-LBPRGKRZSA-N 1 0 322.409 2.616 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)C[C@H]1C[NH3+] ZINC000420291200 296170171 /nfs/dbraw/zinc/17/01/71/296170171.db2.gz XBUAPJISGSLZRU-NXEZZACHSA-N 1 0 315.320 2.617 20 5 DFBDRO Cc1cc(NCC[N@@H+]2CCc3sccc3C2)ncc1[N+](=O)[O-] ZINC000080599334 399161623 /nfs/dbraw/zinc/16/16/23/399161623.db2.gz CXRKJBDRYOLSIU-UHFFFAOYSA-N 1 0 318.402 2.830 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596076028 399164499 /nfs/dbraw/zinc/16/44/99/399164499.db2.gz ASDUYTWOGXPJCY-CHWSQXEVSA-N 1 0 322.409 2.865 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCCNc2cc[nH]c(=O)c2[N+](=O)[O-])C1 ZINC000596077317 399164613 /nfs/dbraw/zinc/16/46/13/399164613.db2.gz SXKLZEVJARGFJE-GFCCVEGCSA-N 1 0 308.382 2.619 20 5 DFBDRO CC(C)[C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC000596078848 399165546 /nfs/dbraw/zinc/16/55/46/399165546.db2.gz ZLQOZXPUGWMFOF-CQSZACIVSA-N 1 0 322.409 2.864 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(OC(F)F)c1 ZINC000596091482 399169638 /nfs/dbraw/zinc/16/96/38/399169638.db2.gz KVQTUDAEHNCTJG-VIFPVBQESA-N 1 0 313.304 2.845 20 5 DFBDRO CCn1nccc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000596092529 399170485 /nfs/dbraw/zinc/17/04/85/399170485.db2.gz BGOAYXPPENNOQC-ZDUSSCGKSA-N 1 0 302.378 2.922 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596094807 399170860 /nfs/dbraw/zinc/17/08/60/399170860.db2.gz MISZOLIGZBSFNO-LLVKDONJSA-N 1 0 312.801 2.597 20 5 DFBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000342031882 284311853 /nfs/dbraw/zinc/31/18/53/284311853.db2.gz KZYYRHCWHGJOBQ-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNCC23CC(C2)C[NH2+]3)o1 ZINC000596105886 399175104 /nfs/dbraw/zinc/17/51/04/399175104.db2.gz MTNRONWAUXLSEB-UHFFFAOYSA-N 1 0 313.357 2.696 20 5 DFBDRO COCCC[NH+]1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596105514 399175241 /nfs/dbraw/zinc/17/52/41/399175241.db2.gz SXEFQFQJWKYXPX-UHFFFAOYSA-N 1 0 313.423 2.878 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420385882 296184560 /nfs/dbraw/zinc/18/45/60/296184560.db2.gz FMLAZCLJLNLACU-GASCZTMLSA-N 1 0 319.405 2.708 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000614223004 399180014 /nfs/dbraw/zinc/18/00/14/399180014.db2.gz ZSULYWCKLXFCQN-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000596124091 399181768 /nfs/dbraw/zinc/18/17/68/399181768.db2.gz SCEOHSCRVRYWSB-NSHDSACASA-N 1 0 310.785 2.708 20 5 DFBDRO Cc1ccc([C@H](O)C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000266036081 205045024 /nfs/dbraw/zinc/04/50/24/205045024.db2.gz SSADMRNWZVIBKQ-CSPWOOARSA-N 1 0 302.330 2.833 20 5 DFBDRO C[NH+](C)Cc1cc(CNc2cc[nH]c(=O)c2[N+](=O)[O-])ccc1F ZINC000596129436 399184100 /nfs/dbraw/zinc/18/41/00/399184100.db2.gz PSQDWTGMAFHBSV-UHFFFAOYSA-N 1 0 320.324 2.508 20 5 DFBDRO Nc1ccc(NC2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000288293435 220068049 /nfs/dbraw/zinc/06/80/49/220068049.db2.gz HUNHNNIIKBXIFL-UHFFFAOYSA-N 1 0 304.394 2.996 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(c1ccc([N+](=O)[O-])c3cnccc31)C2 ZINC000600955994 399186405 /nfs/dbraw/zinc/18/64/05/399186405.db2.gz MHOZPIBDPIECLT-CALCHBBNSA-N 1 0 312.373 2.579 20 5 DFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)C[C@@H]1CCC[N@@H+]1CC ZINC000614236738 399185494 /nfs/dbraw/zinc/18/54/94/399185494.db2.gz LILPSTAQMKETQY-INIZCTEOSA-N 1 0 321.421 2.910 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[NH2+]C23CCC3)cc1OC(F)F ZINC000600952283 399185575 /nfs/dbraw/zinc/18/55/75/399185575.db2.gz YKRCCQXNDNEREG-GFCCVEGCSA-N 1 0 313.304 2.893 20 5 DFBDRO Cc1ccnc(NCC[C@H]([NH3+])Cc2ccccc2)c1[N+](=O)[O-] ZINC000600960578 399188471 /nfs/dbraw/zinc/18/84/71/399188471.db2.gz FWGFGLNSAXFFFX-AWEZNQCLSA-N 1 0 300.362 2.670 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596142220 399189510 /nfs/dbraw/zinc/18/95/10/399189510.db2.gz OXOMIVSLTZIRMH-LLVKDONJSA-N 1 0 312.801 2.811 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NCc2cccc3c2CC[NH2+]C3)n1 ZINC000600959038 399187567 /nfs/dbraw/zinc/18/75/67/399187567.db2.gz QWPPPEFMRVWJFB-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO COc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1C ZINC000596156393 399194692 /nfs/dbraw/zinc/19/46/92/399194692.db2.gz OVCFSSJEJLUNJJ-NWDGAFQWSA-N 1 0 305.378 2.949 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)Nc1c(C(N)=O)cccc1[N+](=O)[O-] ZINC000420579111 296190986 /nfs/dbraw/zinc/19/09/86/296190986.db2.gz DOMVRHASPAFLBP-GFCCVEGCSA-N 1 0 322.409 2.616 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000596157144 399195925 /nfs/dbraw/zinc/19/59/25/399195925.db2.gz OUKZNZUIHYQXKC-RNCFNFMXSA-N 1 0 317.311 3.000 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266256260 205220130 /nfs/dbraw/zinc/22/01/30/205220130.db2.gz OBFNDUGAQBNXJP-IUODEOHRSA-N 1 0 319.405 2.964 20 5 DFBDRO C[NH+](C)C1CCC(Nc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000420623799 296193372 /nfs/dbraw/zinc/19/33/72/296193372.db2.gz IMOYOWKNNOECJP-UHFFFAOYSA-N 1 0 314.389 2.850 20 5 DFBDRO Cc1cc(NCCCC2(O)CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420635180 296194465 /nfs/dbraw/zinc/19/44/65/296194465.db2.gz LVGHJMZTIIPRFJ-UHFFFAOYSA-N 1 0 315.373 2.980 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000063782561 399207912 /nfs/dbraw/zinc/20/79/12/399207912.db2.gz DFSLXLFAOROSII-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO CS[C@@H]1CN([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1[NH+](C)C ZINC000342595245 284374738 /nfs/dbraw/zinc/37/47/38/284374738.db2.gz ZENRLVSMYMPEFD-TUKIKUTGSA-N 1 0 309.435 2.633 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000063738930 399205730 /nfs/dbraw/zinc/20/57/30/399205730.db2.gz RQROZLHNJBNAQU-LLVKDONJSA-N 1 0 323.422 2.836 20 5 DFBDRO CC(C)(C)[N@@H+]1CCCN(c2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000063739777 399205833 /nfs/dbraw/zinc/20/58/33/399205833.db2.gz NECLJTDNTSENQZ-UHFFFAOYSA-N 1 0 323.422 2.615 20 5 DFBDRO Cc1ccc(O)c(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000282966583 217356794 /nfs/dbraw/zinc/35/67/94/217356794.db2.gz IHSFQCFTFDFVOP-UHFFFAOYSA-N 1 0 301.346 2.678 20 5 DFBDRO Cc1nn(C)c(NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1[N+](=O)[O-] ZINC000064114132 399216820 /nfs/dbraw/zinc/21/68/20/399216820.db2.gz ZKPLOOWTXNKWMU-AWEZNQCLSA-N 1 0 317.393 2.660 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000283104878 217438921 /nfs/dbraw/zinc/43/89/21/217438921.db2.gz MAZNUJGLFNVUTR-KGLIPLIRSA-N 1 0 307.369 2.793 20 5 DFBDRO CC(C)[N@H+](C)CC1CCN(c2ncc(F)cc2[N+](=O)[O-])CC1 ZINC000601105422 399227908 /nfs/dbraw/zinc/22/79/08/399227908.db2.gz GJVOQUDXSWPZDU-UHFFFAOYSA-N 1 0 310.373 2.686 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC(C)C ZINC000064558828 399228250 /nfs/dbraw/zinc/22/82/50/399228250.db2.gz HCOHTVOHHWYYDI-UHFFFAOYSA-N 1 0 300.380 2.677 20 5 DFBDRO O=[N+]([O-])c1ccc2nccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000601121259 399233486 /nfs/dbraw/zinc/23/34/86/399233486.db2.gz NKFCJDGHSFPSKN-AWEZNQCLSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601123369 399233574 /nfs/dbraw/zinc/23/35/74/399233574.db2.gz AXTIXVXTLGEBKP-RYUDHWBXSA-N 1 0 323.368 2.727 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(F)c1 ZINC000267458839 206080806 /nfs/dbraw/zinc/08/08/06/206080806.db2.gz UHYSPTKJHXZZAW-LBPRGKRZSA-N 1 0 304.325 2.837 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456462 206080988 /nfs/dbraw/zinc/08/09/88/206080988.db2.gz PMJJENGUOUJHBW-BLLLJJGKSA-N 1 0 309.385 2.896 20 5 DFBDRO Cn1cc(C[NH2+]CC(C)(C)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000601137140 399238549 /nfs/dbraw/zinc/23/85/49/399238549.db2.gz USTULEMRZWPBFR-UHFFFAOYSA-N 1 0 306.341 2.833 20 5 DFBDRO C[C@@](CO)(Cc1ccccc1F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601152194 399242604 /nfs/dbraw/zinc/24/26/04/399242604.db2.gz BUBJWYYTXJAGIA-KRWDZBQOSA-N 1 0 318.348 2.817 20 5 DFBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)[C@@H](C)O1 ZINC000601148774 399241145 /nfs/dbraw/zinc/24/11/45/399241145.db2.gz AEUZWHCDACIVOD-KBVBSXBZSA-N 1 0 316.304 2.852 20 5 DFBDRO Cc1ccsc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601150515 399241647 /nfs/dbraw/zinc/24/16/47/399241647.db2.gz YRAGLTTZOQDCGY-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000023991481 182371066 /nfs/dbraw/zinc/37/10/66/182371066.db2.gz PGHWEDHOZAUXKZ-XQQFMLRXSA-N 1 0 305.378 2.900 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3nc4ccccc4cc3[N+](=O)[O-])C[C@@H]2C1 ZINC000601185204 399250707 /nfs/dbraw/zinc/25/07/07/399250707.db2.gz RCHPNEMHEBIVNA-KGLIPLIRSA-N 1 0 312.373 2.531 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421036671 296229960 /nfs/dbraw/zinc/22/99/60/296229960.db2.gz OBCMXLNUOAUCDB-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000267846587 206301942 /nfs/dbraw/zinc/30/19/42/206301942.db2.gz MPRDJVOHJKHDRT-STQMWFEESA-N 1 0 322.409 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@@H](O)C(F)F)CCCC2 ZINC000601298488 399272522 /nfs/dbraw/zinc/27/25/22/399272522.db2.gz ISYMBLKCFUZXLM-ZIAGYGMSSA-N 1 0 314.332 2.968 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H](O)C(F)F ZINC000601299338 399272645 /nfs/dbraw/zinc/27/26/45/399272645.db2.gz PBWJTIXGYSRGRI-ZWNOBZJWSA-N 1 0 302.321 2.522 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601299754 399272842 /nfs/dbraw/zinc/27/28/42/399272842.db2.gz ABILBTPNZNNDJM-ZHAHWJHGSA-N 1 0 306.284 2.947 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000421362902 296248471 /nfs/dbraw/zinc/24/84/71/296248471.db2.gz OHCLKUOQAVJHMB-QIRDZLTKSA-N 1 0 304.390 2.948 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000421551830 296265194 /nfs/dbraw/zinc/26/51/94/296265194.db2.gz JSZPCDQCJWUARF-AWEZNQCLSA-N 1 0 319.405 2.766 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000615034283 399293516 /nfs/dbraw/zinc/29/35/16/399293516.db2.gz WJSYLXMJEQKGKE-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1c(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cccc1[N+](=O)[O-] ZINC000608901359 399300415 /nfs/dbraw/zinc/30/04/15/399300415.db2.gz YBYZWJARASHJSG-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000601566260 399301364 /nfs/dbraw/zinc/30/13/64/399301364.db2.gz IBPRZJHMDIRETD-LBPRGKRZSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1c(C(=O)NCC(C)(C)[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000041298058 183184522 /nfs/dbraw/zinc/18/45/22/183184522.db2.gz MOYLWLURHOLORW-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@H+]2CCc3ccc(O)cc3CC2)cc1 ZINC000608866611 399299740 /nfs/dbraw/zinc/29/97/40/399299740.db2.gz DXYHQWHAKZXKHP-UHFFFAOYSA-N 1 0 312.369 2.944 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000609133573 399304961 /nfs/dbraw/zinc/30/49/61/399304961.db2.gz JSRRUNXIRMTORT-ZDUSSCGKSA-N 1 0 303.362 2.716 20 5 DFBDRO CN(CC1([NH+](C)C)CCC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492015654 299493468 /nfs/dbraw/zinc/49/34/68/299493468.db2.gz KXUZYQYRMKXGMU-KTKRTIGZSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@H]2Cn2cccn2)cccc1[N+](=O)[O-] ZINC000609259664 399310469 /nfs/dbraw/zinc/31/04/69/399310469.db2.gz DQTIMOMVIFLQHZ-HNNXBMFYSA-N 1 0 300.362 2.764 20 5 DFBDRO CCN1CCO[C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000609284392 399311530 /nfs/dbraw/zinc/31/15/30/399311530.db2.gz UFKKIEPLUKSLFT-HNNXBMFYSA-N 1 0 321.421 2.529 20 5 DFBDRO CC1(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)OCCO1 ZINC000268197544 206535319 /nfs/dbraw/zinc/53/53/19/206535319.db2.gz YJPOLFINNNCPCI-UHFFFAOYSA-N 1 0 306.362 2.570 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000421781054 296275174 /nfs/dbraw/zinc/27/51/74/296275174.db2.gz XJQZGXGRPRJILI-AWEZNQCLSA-N 1 0 319.405 2.625 20 5 DFBDRO CS[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1[NH+]1CCCC1 ZINC000274150815 211386711 /nfs/dbraw/zinc/38/67/11/211386711.db2.gz YFSYLUFAZPBRJO-CVEARBPZSA-N 1 0 321.446 2.606 20 5 DFBDRO CS[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000274150825 211386064 /nfs/dbraw/zinc/38/60/64/211386064.db2.gz YFSYLUFAZPBRJO-JKSUJKDBSA-N 1 0 321.446 2.606 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000609878232 399334853 /nfs/dbraw/zinc/33/48/53/399334853.db2.gz TZCJKVFDKDALDG-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)cccc1[N+](=O)[O-] ZINC000421851195 296277895 /nfs/dbraw/zinc/27/78/95/296277895.db2.gz FKQIADIGQTVXHB-IHRRRGAJSA-N 1 0 319.405 2.846 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1=O ZINC000421895960 296279473 /nfs/dbraw/zinc/27/94/73/296279473.db2.gz YWYNYEXEDRVNHF-OLZOCXBDSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1(O)CCC1)C1CC1 ZINC000284427033 218022222 /nfs/dbraw/zinc/02/22/22/218022222.db2.gz RSKYAHQBKFTTCH-HNNXBMFYSA-N 1 0 304.390 2.811 20 5 DFBDRO CC1CC[NH+](C2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000273948149 211203031 /nfs/dbraw/zinc/20/30/31/211203031.db2.gz MLZIKRISOVHKQG-UHFFFAOYSA-N 1 0 319.409 2.840 20 5 DFBDRO Cn1nc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000610271394 399352035 /nfs/dbraw/zinc/35/20/35/399352035.db2.gz TZRMSIZKKGCPQI-UHFFFAOYSA-N 1 0 310.357 2.814 20 5 DFBDRO CCOc1cccc(NCC2([NH+](C)C)CCOCC2)c1[N+](=O)[O-] ZINC000273888220 211146307 /nfs/dbraw/zinc/14/63/07/211146307.db2.gz SOTJZDDDSXWLIP-UHFFFAOYSA-N 1 0 323.393 2.516 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000610337555 399357809 /nfs/dbraw/zinc/35/78/09/399357809.db2.gz INSNOMRQKUOSDS-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(-n3cncn3)cc2)cc1 ZINC000105448262 194103966 /nfs/dbraw/zinc/10/39/66/194103966.db2.gz YYQLNVXPLHWIJQ-UHFFFAOYSA-N 1 0 323.356 2.508 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000284900000 218226952 /nfs/dbraw/zinc/22/69/52/218226952.db2.gz CFJXSCJFUXFEGA-JWYUURKGSA-N 1 0 321.299 2.529 20 5 DFBDRO CCc1ccc(C(=O)N(C)CCCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000610473613 399370063 /nfs/dbraw/zinc/37/00/63/399370063.db2.gz MDCOHRLFECFQHY-UHFFFAOYSA-N 1 0 307.394 2.571 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000105883597 194156727 /nfs/dbraw/zinc/15/67/27/194156727.db2.gz IEZNIBKTKMOKHA-KGLIPLIRSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601971813 399372068 /nfs/dbraw/zinc/37/20/68/399372068.db2.gz WPMFEXKFERRHPA-CJNGLKHVSA-N 1 0 319.405 2.907 20 5 DFBDRO Cc1cnn([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000105901382 194164415 /nfs/dbraw/zinc/16/44/15/194164415.db2.gz RYZAGMQNPJQFMJ-QGZVFWFLSA-N 1 0 314.389 2.979 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CNc2ccnn2C1)c1cccc([N+](=O)[O-])c1 ZINC000610517615 399376063 /nfs/dbraw/zinc/37/60/63/399376063.db2.gz JWYPHHURVFVQON-SWLSCSKDSA-N 1 0 315.377 2.574 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026880 218262319 /nfs/dbraw/zinc/26/23/19/218262319.db2.gz HQAJMSNPIHQSFR-TVQRCGJNSA-N 1 0 301.350 2.628 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285026874 218262338 /nfs/dbraw/zinc/26/23/38/218262338.db2.gz HQAJMSNPIHQSFR-RNCFNFMXSA-N 1 0 301.350 2.628 20 5 DFBDRO CCOCC[N@@H+]1CCN(Cc2ccccc2[N+](=O)[O-])C[C@H]1CC ZINC000106120051 194187356 /nfs/dbraw/zinc/18/73/56/194187356.db2.gz ZOQZKAOFHJXKBR-MRXNPFEDSA-N 1 0 321.421 2.528 20 5 DFBDRO Cc1c(C(=O)NCCC[NH2+]C2CCCCC2)cccc1[N+](=O)[O-] ZINC000345854209 284779509 /nfs/dbraw/zinc/77/95/09/284779509.db2.gz VIYLCDBXENOKPY-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582298 399382276 /nfs/dbraw/zinc/38/22/76/399382276.db2.gz CGGCUANSXVCAKS-ZDUSSCGKSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)OCCC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582727 399382980 /nfs/dbraw/zinc/38/29/80/399382980.db2.gz SORBMEINSXIGJP-UHFFFAOYSA-N 1 0 307.350 2.983 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000106788691 194253182 /nfs/dbraw/zinc/25/31/82/194253182.db2.gz IKQGOCHOTZJGPE-CQSZACIVSA-N 1 0 317.389 2.650 20 5 DFBDRO CC[NH+](CC)Cc1ccc(CNc2ncc([N+](=O)[O-])cn2)cc1 ZINC000273672067 210966535 /nfs/dbraw/zinc/96/65/35/210966535.db2.gz XTTOMONDHHTCRL-UHFFFAOYSA-N 1 0 315.377 2.839 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CCCCN1C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285348770 218392583 /nfs/dbraw/zinc/39/25/83/218392583.db2.gz VCFCSEVAHHYUER-SWLSCSKDSA-N 1 0 318.421 2.845 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000285388187 218410879 /nfs/dbraw/zinc/41/08/79/218410879.db2.gz BVZUYUSSASQWIW-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000285445843 218442351 /nfs/dbraw/zinc/44/23/51/218442351.db2.gz ZGMGKQLICUJKIA-PXAZEXFGSA-N 1 0 315.373 2.870 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255312 183895631 /nfs/dbraw/zinc/89/56/31/183895631.db2.gz XCCCGZPHLIIURX-VIFPVBQESA-N 1 0 300.156 2.521 20 5 DFBDRO C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1[N+](=O)[O-] ZINC000602133283 399399437 /nfs/dbraw/zinc/39/94/37/399399437.db2.gz RCBWHNRZLWCCHQ-CYBMUJFWSA-N 1 0 317.389 2.648 20 5 DFBDRO CC[N@H+](CCc1nccs1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000159313363 197344982 /nfs/dbraw/zinc/34/49/82/197344982.db2.gz GLGRZZUMVVFMES-CQSZACIVSA-N 1 0 321.402 2.649 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422721276 296321285 /nfs/dbraw/zinc/32/12/85/296321285.db2.gz UUZVVCGYQXVVHO-HZPDHXFCSA-N 1 0 313.357 2.838 20 5 DFBDRO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])s2)C[C@@H](C)O1 ZINC000610864609 399413655 /nfs/dbraw/zinc/41/36/55/399413655.db2.gz MPNNNSAJYQLQRS-VXGBXAGGSA-N 1 0 313.423 2.958 20 5 DFBDRO COc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)cn1 ZINC000610999183 399426727 /nfs/dbraw/zinc/42/67/27/399426727.db2.gz IXNUEHVKOSEECV-UHFFFAOYSA-N 1 0 317.345 2.509 20 5 DFBDRO C[C@@H]1C[NH+](CCCCNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000269011848 207163614 /nfs/dbraw/zinc/16/36/14/207163614.db2.gz AFAIGFYDDPLWOU-ZIAGYGMSSA-N 1 0 307.394 2.896 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)cccc1[N+](=O)[O-] ZINC000269014060 207164934 /nfs/dbraw/zinc/16/49/34/207164934.db2.gz XYVDGVNBDWBOHW-CZUORRHYSA-N 1 0 323.462 2.991 20 5 DFBDRO CC[N@@H+]1CCN(C(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000611097909 399433963 /nfs/dbraw/zinc/43/39/63/399433963.db2.gz KNPMQTGODOMRBN-GFCCVEGCSA-N 1 0 320.393 2.770 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C(F)F)C2)cc1 ZINC000611179961 399442792 /nfs/dbraw/zinc/44/27/92/399442792.db2.gz OPDBKDYQMZFQBN-LLVKDONJSA-N 1 0 300.305 2.951 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000611182223 399442795 /nfs/dbraw/zinc/44/27/95/399442795.db2.gz RINCGKYCCLGPLB-CYBMUJFWSA-N 1 0 312.373 2.797 20 5 DFBDRO Cn1cc(C[NH+]2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602430021 399441418 /nfs/dbraw/zinc/44/14/18/399441418.db2.gz USILCXQBFJRNLO-UHFFFAOYSA-N 1 0 314.389 2.783 20 5 DFBDRO COc1ccc(OCC[NH+]2CCC3(CC3)CC2)c([N+](=O)[O-])c1 ZINC000611177579 399442027 /nfs/dbraw/zinc/44/20/27/399442027.db2.gz NJYNNFGCHYXAJW-UHFFFAOYSA-N 1 0 306.362 2.858 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@H+](CCO)CC1CC1 ZINC000602454476 399449004 /nfs/dbraw/zinc/44/90/04/399449004.db2.gz MECFSXIMWFTFSM-UHFFFAOYSA-N 1 0 318.295 2.818 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]([NH3+])CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000602462806 399450557 /nfs/dbraw/zinc/45/05/57/399450557.db2.gz RLVWNXHRQXCRKA-GJZGRUSLSA-N 1 0 307.394 2.926 20 5 DFBDRO Cn1cc(C[NH+]2CCC(C)(c3ccccc3)CC2)c([N+](=O)[O-])n1 ZINC000602465342 399451003 /nfs/dbraw/zinc/45/10/03/399451003.db2.gz PRYSKZVWLVEBPZ-UHFFFAOYSA-N 1 0 314.389 2.882 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H]([NH3+])CCC(C)C)cc1[N+](=O)[O-] ZINC000602466867 399452187 /nfs/dbraw/zinc/45/21/87/399452187.db2.gz PLTMPLKMXIXATL-GXTWGEPZSA-N 1 0 307.394 2.844 20 5 DFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602471274 399452958 /nfs/dbraw/zinc/45/29/58/399452958.db2.gz AZGZSEZXZIAWPR-JSGCOSHPSA-N 1 0 300.362 2.706 20 5 DFBDRO CC1(C)CCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611261474 399453459 /nfs/dbraw/zinc/45/34/59/399453459.db2.gz BRICSRQZSLAPLY-UHFFFAOYSA-N 1 0 306.362 2.988 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000611201658 399445333 /nfs/dbraw/zinc/44/53/33/399445333.db2.gz SISIRNRVDHMOKB-LLVKDONJSA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@H]1C[N@H+](Cc2cn(C)nc2[N+](=O)[O-])CC[C@H]1c1ccccc1 ZINC000602476354 399456093 /nfs/dbraw/zinc/45/60/93/399456093.db2.gz ODPRIZQSNUHPHM-XJKSGUPXSA-N 1 0 314.389 2.954 20 5 DFBDRO CO[C@H](C)C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C(C)C ZINC000611273621 399456816 /nfs/dbraw/zinc/45/68/16/399456816.db2.gz STQJQOFIAXZZCE-GFCCVEGCSA-N 1 0 324.377 2.611 20 5 DFBDRO CC(C)[C@H]1CC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000611285852 399458156 /nfs/dbraw/zinc/45/81/56/399458156.db2.gz DABQOSTZXVXFSZ-LBPRGKRZSA-N 1 0 306.362 2.844 20 5 DFBDRO CC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1O ZINC000602494319 399460639 /nfs/dbraw/zinc/46/06/39/399460639.db2.gz NMCHLIUUTQKVKF-TVQRCGJNSA-N 1 0 318.295 2.816 20 5 DFBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602484568 399459203 /nfs/dbraw/zinc/45/92/03/399459203.db2.gz ORGXLXRDBIAFCD-GFCCVEGCSA-N 1 0 304.268 2.570 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000611298448 399459452 /nfs/dbraw/zinc/45/94/52/399459452.db2.gz IIBDBPPSHWHMPC-NXEZZACHSA-N 1 0 315.320 2.725 20 5 DFBDRO CN(C)[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000602499872 399461041 /nfs/dbraw/zinc/46/10/41/399461041.db2.gz URMJGINSSUIEAJ-HNNXBMFYSA-N 1 0 303.362 2.623 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc3c(s2)CCC3)cc1 ZINC000611314503 399461489 /nfs/dbraw/zinc/46/14/89/399461489.db2.gz NNTYKMYUILQVKD-UHFFFAOYSA-N 1 0 303.387 2.872 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(=O)NC1CCCC1 ZINC000611335666 399462844 /nfs/dbraw/zinc/46/28/44/399462844.db2.gz HIEAVPTVJHNPST-GFCCVEGCSA-N 1 0 305.378 2.613 20 5 DFBDRO COCCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602512564 399464673 /nfs/dbraw/zinc/46/46/73/399464673.db2.gz CHQKFGWBGRKFQZ-UHFFFAOYSA-N 1 0 323.212 2.935 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)c1cccc([N+](=O)[O-])c1 ZINC000602517043 399466333 /nfs/dbraw/zinc/46/63/33/399466333.db2.gz ANLGHUHYCSFFCM-NEPJUHHUSA-N 1 0 303.366 2.661 20 5 DFBDRO COCC[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602525633 399467856 /nfs/dbraw/zinc/46/78/56/399467856.db2.gz GXJPJXIHIXZSLS-SSDOTTSWSA-N 1 0 323.212 2.933 20 5 DFBDRO CCc1nc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000602527036 399467915 /nfs/dbraw/zinc/46/79/15/399467915.db2.gz IIMBHOZGEQPMHJ-UHFFFAOYSA-N 1 0 305.403 2.989 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524123 399468017 /nfs/dbraw/zinc/46/80/17/399468017.db2.gz BLKWGEFGJNHDDH-GFCCVEGCSA-N 1 0 318.377 2.558 20 5 DFBDRO COc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000616462570 399470275 /nfs/dbraw/zinc/47/02/75/399470275.db2.gz ZLHLICIROXRPPV-UHFFFAOYSA-N 1 0 321.377 2.662 20 5 DFBDRO [NH3+]Cc1cccc2c1N(C(=O)c1ccc([N+](=O)[O-])s1)CCC2 ZINC000602538951 399470661 /nfs/dbraw/zinc/47/06/61/399470661.db2.gz GAIRPXPAFQOMHA-UHFFFAOYSA-N 1 0 317.370 2.708 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccn(C)c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000611403922 399470832 /nfs/dbraw/zinc/47/08/32/399470832.db2.gz IEQSMAJZZMMNPX-HNNXBMFYSA-N 1 0 301.346 2.534 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000602550998 399474061 /nfs/dbraw/zinc/47/40/61/399474061.db2.gz ATZRQCBNSBGAFH-QWRGUYRKSA-N 1 0 323.418 2.577 20 5 DFBDRO C[NH+](C)CCOc1cc(CNc2sccc2[N+](=O)[O-])ccn1 ZINC000611414226 399473295 /nfs/dbraw/zinc/47/32/95/399473295.db2.gz KGTZKBOJPOQBHP-UHFFFAOYSA-N 1 0 322.390 2.604 20 5 DFBDRO CN(C(=O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000602563966 399477490 /nfs/dbraw/zinc/47/74/90/399477490.db2.gz KALUZDQOLQIEEH-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C[C@H]1F ZINC000611501389 399483417 /nfs/dbraw/zinc/48/34/17/399483417.db2.gz BGSVOWOKWVHLEU-VXGBXAGGSA-N 1 0 309.341 2.603 20 5 DFBDRO C[C@@H](CNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000602594757 399486437 /nfs/dbraw/zinc/48/64/37/399486437.db2.gz SYCTYPWNYWXKFL-VIFPVBQESA-N 1 0 305.300 2.653 20 5 DFBDRO CC(C)[C@H]1C[N@H+](C)CCN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602598518 399487377 /nfs/dbraw/zinc/48/73/77/399487377.db2.gz KKUMEQBCGNVKQU-CQSZACIVSA-N 1 0 318.377 2.508 20 5 DFBDRO C[C@@H](CCCCO)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522019 399488173 /nfs/dbraw/zinc/48/81/73/399488173.db2.gz FNIPQZHJJRBNIS-NSHDSACASA-N 1 0 300.786 2.931 20 5 DFBDRO Cc1cccc([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607200 399488480 /nfs/dbraw/zinc/48/84/80/399488480.db2.gz IOHBKRLZGDFWPG-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO CCOC[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602623299 399493293 /nfs/dbraw/zinc/49/32/93/399493293.db2.gz NZVKQJQCTVDOBA-ZETCQYMHSA-N 1 0 323.212 2.933 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602627762 399495473 /nfs/dbraw/zinc/49/54/73/399495473.db2.gz SJXNNPXKDBJRFD-QGZVFWFLSA-N 1 0 314.385 2.639 20 5 DFBDRO C[N@H+](CCCCO)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602628155 399495725 /nfs/dbraw/zinc/49/57/25/399495725.db2.gz BTVHTUOAFGEEON-UHFFFAOYSA-N 1 0 306.284 2.818 20 5 DFBDRO CO[C@@H](CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000602629135 399495907 /nfs/dbraw/zinc/49/59/07/399495907.db2.gz IWJSFMMPTKMTDB-LBPRGKRZSA-N 1 0 306.284 2.694 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](OC(F)F)C2)cc1 ZINC000611578441 399496145 /nfs/dbraw/zinc/49/61/45/399496145.db2.gz DQQSBBYIDXPYPP-ZDUSSCGKSA-N 1 0 316.304 2.677 20 5 DFBDRO CN(CCCCO)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602631628 399496523 /nfs/dbraw/zinc/49/65/23/399496523.db2.gz RIXDXPPYRZOUDS-UHFFFAOYSA-N 1 0 323.212 2.623 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)n1 ZINC000611616432 399499152 /nfs/dbraw/zinc/49/91/52/399499152.db2.gz OAEHXLWAOHETOR-ZIAGYGMSSA-N 1 0 304.394 2.670 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@H+]3CCCCC[C@@H]3CCO)nc2c1 ZINC000602653749 399503814 /nfs/dbraw/zinc/50/38/14/399503814.db2.gz OQXPDXUUXPDGNX-GFCCVEGCSA-N 1 0 319.361 2.863 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000422832578 296341396 /nfs/dbraw/zinc/34/13/96/296341396.db2.gz YAOQOWOYUKRFPG-PHIMTYICSA-N 1 0 323.418 2.529 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347017330 285005165 /nfs/dbraw/zinc/00/51/65/285005165.db2.gz DJYPIHWGYADTBM-OLZOCXBDSA-N 1 0 307.394 2.553 20 5 DFBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665864 399509832 /nfs/dbraw/zinc/50/98/32/399509832.db2.gz DHYHPWQTIDXJKP-RNFRBKRXSA-N 1 0 323.212 2.932 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000422858339 296345805 /nfs/dbraw/zinc/34/58/05/296345805.db2.gz ZUPWSRGRYDTEBP-TZMCWYRMSA-N 1 0 319.405 2.918 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000347401342 285034283 /nfs/dbraw/zinc/03/42/83/285034283.db2.gz CUZLAEIEMPLALP-NWDGAFQWSA-N 1 0 313.361 2.577 20 5 DFBDRO Cc1nnsc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000602671751 399513681 /nfs/dbraw/zinc/51/36/81/399513681.db2.gz VRXXSVKXCUOPAF-UHFFFAOYSA-N 1 0 317.374 2.568 20 5 DFBDRO CC(C)[N@H+]1C[C@H](Nc2ncnc3cccc([N+](=O)[O-])c32)[C@@H](C)C1 ZINC000347413335 285041693 /nfs/dbraw/zinc/04/16/93/285041693.db2.gz UBMQHFVSTMQYGQ-AAEUAGOBSA-N 1 0 315.377 2.679 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000294959799 533009440 /nfs/dbraw/zinc/00/94/40/533009440.db2.gz WNMJRZQRTLCKPO-NSHDSACASA-N 1 0 323.418 2.579 20 5 DFBDRO CO[C@@]1(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602684623 399518974 /nfs/dbraw/zinc/51/89/74/399518974.db2.gz ICTBEGWYYGLWRP-DOTOQJQBSA-N 1 0 320.389 2.580 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602692269 399523185 /nfs/dbraw/zinc/52/31/85/399523185.db2.gz XHWDXBZRHBOBHE-JTQLQIEISA-N 1 0 305.334 2.783 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000602691066 399522169 /nfs/dbraw/zinc/52/21/69/399522169.db2.gz USHIHICXJCHQNX-ZYHUDNBSSA-N 1 0 304.268 2.617 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CO1 ZINC000602702195 399529479 /nfs/dbraw/zinc/52/94/79/399529479.db2.gz JBKADBICHHGSQL-BQBZGAKWSA-N 1 0 321.196 2.686 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000262579620 285085789 /nfs/dbraw/zinc/08/57/89/285085789.db2.gz YTGQTFIQHSZFQC-ONGXEEELSA-N 1 0 315.295 2.802 20 5 DFBDRO C[C@@]1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CCO[C@H]1C1CC1 ZINC000273076458 210457500 /nfs/dbraw/zinc/45/75/00/210457500.db2.gz PNCNVPFCBURAPN-JKSUJKDBSA-N 1 0 306.362 2.521 20 5 DFBDRO CO[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000602730956 399544712 /nfs/dbraw/zinc/54/47/12/399544712.db2.gz HAKGTIBLGYIGMO-SJORKVTESA-N 1 0 322.405 2.597 20 5 DFBDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000602735796 399547523 /nfs/dbraw/zinc/54/75/23/399547523.db2.gz KTYCIEFJQUHHPO-IQIBNGDESA-N 1 0 317.389 2.599 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)cc1 ZINC000278916847 285106212 /nfs/dbraw/zinc/10/62/12/285106212.db2.gz COVFLQHNVLEKSL-UHFFFAOYSA-N 1 0 314.345 2.987 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)cc1 ZINC000237846611 285114270 /nfs/dbraw/zinc/11/42/70/285114270.db2.gz OULVAESNBPGOKF-UHFFFAOYSA-N 1 0 317.311 2.711 20 5 DFBDRO C[C@@H](NC(=O)c1c(Cl)cccc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272953098 210340492 /nfs/dbraw/zinc/34/04/92/210340492.db2.gz MXIPIZHFOWDSRS-SNVBAGLBSA-N 1 0 323.780 2.628 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[C@H](O)C3)o2)c1 ZINC000158774058 197299860 /nfs/dbraw/zinc/29/98/60/197299860.db2.gz XUQRQDRTNVLMIS-AWEZNQCLSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000271016515 208554800 /nfs/dbraw/zinc/55/48/00/208554800.db2.gz NGFUSDBYEQPVHY-ZDUSSCGKSA-N 1 0 319.405 2.706 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000602761078 399559693 /nfs/dbraw/zinc/55/96/93/399559693.db2.gz VXUZRINXDNOTTB-MRXNPFEDSA-N 1 0 314.389 2.807 20 5 DFBDRO COc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1F ZINC000286500255 219022203 /nfs/dbraw/zinc/02/22/03/219022203.db2.gz WKFDRELEYVHAKN-FOSCPWQOSA-N 1 0 323.368 2.804 20 5 DFBDRO CCC[C@@]1(CO)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000288674782 220339542 /nfs/dbraw/zinc/33/95/42/220339542.db2.gz CLULIYDUPDHORK-MRXNPFEDSA-N 1 0 319.361 2.721 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000602771500 399565736 /nfs/dbraw/zinc/56/57/36/399565736.db2.gz BMGMAXJVHGWVQO-CYBMUJFWSA-N 1 0 302.378 2.835 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000120278220 195134576 /nfs/dbraw/zinc/13/45/76/195134576.db2.gz HHZOHPZIDKPBRG-SWLSCSKDSA-N 1 0 320.393 2.625 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccccc2)[C@@H]1C ZINC000602783117 399570609 /nfs/dbraw/zinc/57/06/09/399570609.db2.gz YQQQHKLARPSVPX-BBRMVZONSA-N 1 0 314.389 2.978 20 5 DFBDRO CC[N@H+](CC1CC1)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000157962379 197231387 /nfs/dbraw/zinc/23/13/87/197231387.db2.gz OXNOEWVSFMXSOW-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000602787280 399573240 /nfs/dbraw/zinc/57/32/40/399573240.db2.gz PCHUAVLFTSEEEA-HNNXBMFYSA-N 1 0 315.377 2.640 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000602792089 399576102 /nfs/dbraw/zinc/57/61/02/399576102.db2.gz UXHUQQDUGKPWHS-HNNXBMFYSA-N 1 0 316.361 2.642 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccn2)cc1[N+](=O)[O-] ZINC000602803608 399581207 /nfs/dbraw/zinc/58/12/07/399581207.db2.gz DPCROYWXPSXJJW-GFCCVEGCSA-N 1 0 314.345 2.588 20 5 DFBDRO COc1ccc([C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C2CC2)cc1 ZINC000602803247 399581602 /nfs/dbraw/zinc/58/16/02/399581602.db2.gz AORCHIVHNZPBSM-OAHLLOKOSA-N 1 0 316.361 2.578 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000602806512 399582834 /nfs/dbraw/zinc/58/28/34/399582834.db2.gz VCMDHFCBBQHWCT-STQMWFEESA-N 1 0 302.378 2.882 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([NH+]3CCCC3)C2)c(Cl)c1 ZINC000301291428 285173010 /nfs/dbraw/zinc/17/30/10/285173010.db2.gz UVKLJBIASNJNBD-NSHDSACASA-N 1 0 310.785 2.708 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H]([NH+]3CCCCCC3)C2)s1 ZINC000374415984 285173354 /nfs/dbraw/zinc/17/33/54/285173354.db2.gz PHWIWRDLWYZYEQ-GFCCVEGCSA-N 1 0 310.423 2.896 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000602807842 399584062 /nfs/dbraw/zinc/58/40/62/399584062.db2.gz WWTDSXQCAQICII-MRXNPFEDSA-N 1 0 314.389 2.898 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2[N+](=O)[O-])C12CCCCC2 ZINC000602824121 399590013 /nfs/dbraw/zinc/59/00/13/399590013.db2.gz WQXHCZMHXUNEJK-UONOGXRCSA-N 1 0 322.409 2.546 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000423273779 296399547 /nfs/dbraw/zinc/39/95/47/296399547.db2.gz JJCHVGGGQYVOGD-DOMZBBRYSA-N 1 0 319.405 2.859 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000156680868 197133153 /nfs/dbraw/zinc/13/31/53/197133153.db2.gz MVXVKKZXDTZMRJ-DOMZBBRYSA-N 1 0 307.394 2.667 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156541697 197121659 /nfs/dbraw/zinc/12/16/59/197121659.db2.gz BRXDSKKKBLSQNE-DGCLKSJQSA-N 1 0 307.394 2.859 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000602846643 399599834 /nfs/dbraw/zinc/59/98/34/399599834.db2.gz PYMMIRZOZLIXBN-LLVKDONJSA-N 1 0 320.315 2.764 20 5 DFBDRO C[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000155036061 197016458 /nfs/dbraw/zinc/01/64/58/197016458.db2.gz QKQRYPSGHVYWBA-XQQFMLRXSA-N 1 0 305.378 2.948 20 5 DFBDRO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000155019601 197014511 /nfs/dbraw/zinc/01/45/11/197014511.db2.gz COTXDLMIEYOPBY-OCCSQVGLSA-N 1 0 306.362 2.931 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423397083 296412447 /nfs/dbraw/zinc/41/24/47/296412447.db2.gz ULGNZPVOWKIOSG-SGMGOOAPSA-N 1 0 307.394 2.785 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000294830420 224249482 /nfs/dbraw/zinc/24/94/82/224249482.db2.gz ANTTYGRDMILCRP-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423630925 296435287 /nfs/dbraw/zinc/43/52/87/296435287.db2.gz FRBIPTXLCYMAFO-MQIPJXDCSA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000602915222 399624755 /nfs/dbraw/zinc/62/47/55/399624755.db2.gz HYBGTORYQRGOSQ-MRXNPFEDSA-N 1 0 315.377 2.626 20 5 DFBDRO COc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000289706755 221168824 /nfs/dbraw/zinc/16/88/24/221168824.db2.gz GKCFPDKADXSYRL-UHFFFAOYSA-N 1 0 301.346 2.569 20 5 DFBDRO CCOc1cc(CN2CC[N@H+](CC)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000617214869 399630946 /nfs/dbraw/zinc/63/09/46/399630946.db2.gz GKLYRUPIXYRECA-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[NH+](CC)CCNC(=O)Nc1cccc([N+](=O)[O-])c1Cl ZINC000289877418 221287812 /nfs/dbraw/zinc/28/78/12/221287812.db2.gz ZJOVXNPHKPQZPL-UHFFFAOYSA-N 1 0 314.773 2.712 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000602997707 399654308 /nfs/dbraw/zinc/65/43/08/399654308.db2.gz PDRVTSNTSCUJGH-YCPHGPKFSA-N 1 0 320.389 2.729 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)c1 ZINC000602997259 399654315 /nfs/dbraw/zinc/65/43/15/399654315.db2.gz GQCRKRHBGZNKSK-BBWFWOEESA-N 1 0 320.389 2.599 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997771 399654558 /nfs/dbraw/zinc/65/45/58/399654558.db2.gz QMPQIPJJCSCKMO-OAGGEKHMSA-N 1 0 320.389 2.729 20 5 DFBDRO COc1cc(CN[C@@H]2CCCn3nccc32)c([N+](=O)[O-])cc1F ZINC000603030217 399661311 /nfs/dbraw/zinc/66/13/11/399661311.db2.gz SRGWVYBKNBBQKC-GFCCVEGCSA-N 1 0 320.324 2.564 20 5 DFBDRO CC[N@H+]1[C@H](C)CN(C(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000603141487 399692964 /nfs/dbraw/zinc/69/29/64/399692964.db2.gz DJXNXXRYYXEYHT-HZSPNIEDSA-N 1 0 319.405 2.639 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000423709058 296440864 /nfs/dbraw/zinc/44/08/64/296440864.db2.gz QFUQAAVNKBEEJW-TZMCWYRMSA-N 1 0 319.405 2.966 20 5 DFBDRO O=C(CC[C@H]1CCC[NH2+]1)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000423719680 296441570 /nfs/dbraw/zinc/44/15/70/296441570.db2.gz FZMHRWNOLUEKBR-CQSZACIVSA-N 1 0 317.389 2.618 20 5 DFBDRO COc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1[N+](=O)[O-] ZINC000423728687 296442125 /nfs/dbraw/zinc/44/21/25/296442125.db2.gz TUXPHIBDCDQZFC-OLZOCXBDSA-N 1 0 321.377 2.840 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c(F)c1 ZINC000295150949 224470251 /nfs/dbraw/zinc/47/02/51/224470251.db2.gz AFXQZCXKJRREST-KMUNFCNLSA-N 1 0 324.327 2.920 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000612790169 399724271 /nfs/dbraw/zinc/72/42/71/399724271.db2.gz ADMHZKISUMIGRV-BXKDBHETSA-N 1 0 315.320 2.948 20 5 DFBDRO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000119675804 542573959 /nfs/dbraw/zinc/57/39/59/542573959.db2.gz SNWMQYFGLLPWCP-LBPRGKRZSA-N 1 0 313.357 2.853 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000125006342 195702463 /nfs/dbraw/zinc/70/24/63/195702463.db2.gz ZYAXVWZEVPUDNQ-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271621951 209067948 /nfs/dbraw/zinc/06/79/48/209067948.db2.gz ACLRKKGJTBEQAL-HNNXBMFYSA-N 1 0 316.357 2.687 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000266256258 285398687 /nfs/dbraw/zinc/39/86/87/285398687.db2.gz OBFNDUGAQBNXJP-DOMZBBRYSA-N 1 0 319.405 2.964 20 5 DFBDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000299307810 533571672 /nfs/dbraw/zinc/57/16/72/533571672.db2.gz AWYCXXJLTUSRGS-VIFPVBQESA-N 1 0 314.773 2.710 20 5 DFBDRO C[C@@H](CCO)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000297454945 533622043 /nfs/dbraw/zinc/62/20/43/533622043.db2.gz XGJOTEZCTXAIDS-CJNGLKHVSA-N 1 0 306.406 2.914 20 5 DFBDRO Cc1cc(NC2CC[NH+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000603406895 399768189 /nfs/dbraw/zinc/76/81/89/399768189.db2.gz AAMSKEFZAPUYEU-UHFFFAOYSA-N 1 0 319.405 2.959 20 5 DFBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409161 399769368 /nfs/dbraw/zinc/76/93/68/399769368.db2.gz UXIHFBBZVIQERD-UHFFFAOYSA-N 1 0 311.407 2.712 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)[NH+](C)C ZINC000275625677 130352059 /nfs/dbraw/zinc/35/20/59/130352059.db2.gz LUATVWRBMQDPPD-LBPRGKRZSA-N 1 0 323.396 2.774 20 5 DFBDRO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n(C)n1 ZINC000284093704 131048416 /nfs/dbraw/zinc/04/84/16/131048416.db2.gz BOJWJSGOMWOEJY-LBPRGKRZSA-N 1 0 302.378 2.748 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000366641102 131170687 /nfs/dbraw/zinc/17/06/87/131170687.db2.gz OVNXBRTZZLDKCV-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO COC(=O)CC1CC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000424303390 296500240 /nfs/dbraw/zinc/50/02/40/296500240.db2.gz NUDYUIDBBFXRGV-LKSINWNRSA-N 1 0 306.362 2.896 20 5 DFBDRO [NH3+]C1(c2noc(COc3ccccc3[N+](=O)[O-])n2)CCCCC1 ZINC000424338158 296503862 /nfs/dbraw/zinc/50/38/62/296503862.db2.gz NCBOUUGGQSOBDG-UHFFFAOYSA-N 1 0 318.333 2.675 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CCC(C[NH+]2CCCCC2)CC1 ZINC000604482879 399849324 /nfs/dbraw/zinc/84/93/24/399849324.db2.gz BAKMEEIQPLUFFX-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)o1 ZINC000604554358 399855572 /nfs/dbraw/zinc/85/55/72/399855572.db2.gz QOMKLLLNJHVUQU-CYBMUJFWSA-N 1 0 302.334 2.666 20 5 DFBDRO CCc1ncc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])s1 ZINC000348923583 285722419 /nfs/dbraw/zinc/72/24/19/285722419.db2.gz UCEUJZHSQWVKHC-UHFFFAOYSA-N 1 0 306.391 2.579 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)c1cccc(OC)c1[N+](=O)[O-] ZINC000425249309 296561436 /nfs/dbraw/zinc/56/14/36/296561436.db2.gz BIKMAKMIRWKIQM-UHFFFAOYSA-N 1 0 307.394 2.916 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349331634 285836669 /nfs/dbraw/zinc/83/66/69/285836669.db2.gz MHCKSGDFUYEOGI-UTSBKAFOSA-N 1 0 318.295 2.901 20 5 DFBDRO CC(C)C1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000072717527 145188758 /nfs/dbraw/zinc/18/87/58/145188758.db2.gz WRCCGVZNUJSPHC-UHFFFAOYSA-N 1 0 319.405 2.926 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000072896940 145192552 /nfs/dbraw/zinc/19/25/52/145192552.db2.gz SERXLNWZNRTMSB-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000172863267 145320958 /nfs/dbraw/zinc/32/09/58/145320958.db2.gz WXJFCFSKFXGFEH-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2F)C1 ZINC000173591462 145349306 /nfs/dbraw/zinc/34/93/06/145349306.db2.gz HSZWRZDDLJDOAL-GFCCVEGCSA-N 1 0 323.368 2.538 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)cc1[N+](=O)[O-] ZINC000174133652 145368307 /nfs/dbraw/zinc/36/83/07/145368307.db2.gz TWLXZHOBFUEHIC-HOCLYGCPSA-N 1 0 308.378 2.897 20 5 DFBDRO COc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174844365 145392444 /nfs/dbraw/zinc/39/24/44/145392444.db2.gz DMQBEQBGZFEGFJ-HNNXBMFYSA-N 1 0 316.361 2.637 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000251503038 146213355 /nfs/dbraw/zinc/21/33/55/146213355.db2.gz FSVBKJUCJUXUOX-SQHYZVFZSA-N 1 0 312.435 2.615 20 5 DFBDRO [NH3+]C1(CNc2ncnc3sc([N+](=O)[O-])cc32)CCCCC1 ZINC000261611764 146246942 /nfs/dbraw/zinc/24/69/42/146246942.db2.gz DYIUNPKDHKQNPS-UHFFFAOYSA-N 1 0 307.379 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)cc1 ZINC000261623572 146249577 /nfs/dbraw/zinc/24/95/77/146249577.db2.gz DEJRBUYXWDHBGI-KRWDZBQOSA-N 1 0 315.348 2.880 20 5 DFBDRO C[C@]1(C[NH3+])CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000261728766 146266650 /nfs/dbraw/zinc/26/66/50/146266650.db2.gz CTXUMBQGLFFYSS-OAHLLOKOSA-N 1 0 319.386 2.620 20 5 DFBDRO Cc1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261752460 146270640 /nfs/dbraw/zinc/27/06/40/146270640.db2.gz OZANLPDCQREYMD-OAHLLOKOSA-N 1 0 317.389 2.507 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261803142 146279071 /nfs/dbraw/zinc/27/90/71/146279071.db2.gz VANJBBPPFJOWOL-OAHLLOKOSA-N 1 0 318.377 2.591 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261906662 146298670 /nfs/dbraw/zinc/29/86/70/146298670.db2.gz PPZXAMROVAJOCN-UHFFFAOYSA-N 1 0 317.389 2.509 20 5 DFBDRO CCc1ccc(-c2nc(C3([NH3+])CCCC3)no2)cc1[N+](=O)[O-] ZINC000261910782 146300477 /nfs/dbraw/zinc/30/04/77/146300477.db2.gz ZSZYKDDONLSUNC-UHFFFAOYSA-N 1 0 302.334 2.935 20 5 DFBDRO C[C@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000261982948 146315120 /nfs/dbraw/zinc/31/51/20/146315120.db2.gz JLUBUUWYMMVRBL-NHYWBVRUSA-N 1 0 301.346 2.634 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])c(Cl)c3)C[C@@H]21 ZINC000261985124 146315906 /nfs/dbraw/zinc/31/59/06/146315906.db2.gz RVOXEOANCDITHW-MBNYWOFBSA-N 1 0 309.797 2.807 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCC[NH2+]C1 ZINC000262037682 146326335 /nfs/dbraw/zinc/32/63/35/146326335.db2.gz ZWJYCBNLQVUDAU-RYUDHWBXSA-N 1 0 300.362 2.943 20 5 DFBDRO [NH3+][C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262105002 146334361 /nfs/dbraw/zinc/33/43/61/146334361.db2.gz ZOLMTLVMPDRGMX-ZWKOTPCHSA-N 1 0 311.385 2.564 20 5 DFBDRO C[C@H](Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262565571 146372592 /nfs/dbraw/zinc/37/25/92/146372592.db2.gz WOLZSETYSKXYDU-DTWKUNHWSA-N 1 0 318.299 2.809 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(OC(F)F)c1 ZINC000354529505 147069115 /nfs/dbraw/zinc/06/91/15/147069115.db2.gz UDZRXABJPMBMGZ-UHFFFAOYSA-N 1 0 301.293 2.704 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000354538222 147071371 /nfs/dbraw/zinc/07/13/71/147071371.db2.gz LALQSFZYJJAPCF-AWEZNQCLSA-N 1 0 319.405 2.590 20 5 DFBDRO COCCN(Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000355252772 147238977 /nfs/dbraw/zinc/23/89/77/147238977.db2.gz DXJWMAYOXBGIRD-UHFFFAOYSA-N 1 0 308.378 2.993 20 5 DFBDRO COC(=O)COc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000355588422 147374593 /nfs/dbraw/zinc/37/45/93/147374593.db2.gz WEDNENMASKBJBI-GFCCVEGCSA-N 1 0 324.377 2.623 20 5 DFBDRO CC[N@@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)CC(C)C ZINC000355590377 147376342 /nfs/dbraw/zinc/37/63/42/147376342.db2.gz ZPJGDQRVMKJVKL-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000356115593 147568185 /nfs/dbraw/zinc/56/81/85/147568185.db2.gz KMRRZEFTBUGNGD-JKSUJKDBSA-N 1 0 321.446 2.919 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000350050994 285995729 /nfs/dbraw/zinc/99/57/29/285995729.db2.gz UAZPOBYPHXDTRC-UHFFFAOYSA-N 1 0 312.373 2.903 20 5 DFBDRO Cc1ncc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000350248363 286021318 /nfs/dbraw/zinc/02/13/18/286021318.db2.gz LXURYXXHJOCKTG-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)cccc1[N+](=O)[O-] ZINC000358141480 148257962 /nfs/dbraw/zinc/25/79/62/148257962.db2.gz YREBGLBIERYVEB-LBPRGKRZSA-N 1 0 307.394 2.859 20 5 DFBDRO Cn1ccc(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])n1 ZINC000358240383 148298920 /nfs/dbraw/zinc/29/89/20/148298920.db2.gz QUEAZIBIUVKGSU-BBRMVZONSA-N 1 0 314.389 2.829 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000358347454 148336827 /nfs/dbraw/zinc/33/68/27/148336827.db2.gz BIRLTMXQPMDRPK-KOLCDFICSA-N 1 0 306.284 2.867 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415738 148351960 /nfs/dbraw/zinc/35/19/60/148351960.db2.gz UJIWDONTEXDKSQ-HIFRSBDPSA-N 1 0 308.378 2.599 20 5 DFBDRO CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1 ZINC000350686297 286074079 /nfs/dbraw/zinc/07/40/79/286074079.db2.gz WBBNFDLVXCDYRP-UHFFFAOYSA-N 1 0 302.378 2.950 20 5 DFBDRO CC[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)CC1CCC1 ZINC000361481135 149126820 /nfs/dbraw/zinc/12/68/20/149126820.db2.gz JWCXCOOUHSYFDV-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000361730894 149203489 /nfs/dbraw/zinc/20/34/89/149203489.db2.gz DISLPSWUFSYCMJ-SFHVURJKSA-N 1 0 314.385 2.926 20 5 DFBDRO COc1cccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000361929049 149257568 /nfs/dbraw/zinc/25/75/68/149257568.db2.gz YEVSKSWODVIXCM-GFCCVEGCSA-N 1 0 301.346 2.892 20 5 DFBDRO CCC[N@H+](CCc1cccs1)Cc1c([N+](=O)[O-])ncn1C ZINC000362261386 149294859 /nfs/dbraw/zinc/29/48/59/149294859.db2.gz FRNZVGKSPKZHOZ-UHFFFAOYSA-N 1 0 308.407 2.845 20 5 DFBDRO CSc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1[N+](=O)[O-] ZINC000362756816 149359589 /nfs/dbraw/zinc/35/95/89/149359589.db2.gz PLYYUOWTHKFKSV-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nccn3C2)cc1[N+](=O)[O-] ZINC000371480709 150053610 /nfs/dbraw/zinc/05/36/10/150053610.db2.gz QEHMRZLUCUGPEN-TZMCWYRMSA-N 1 0 300.362 2.765 20 5 DFBDRO CC(C)OC[C@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166618 150143916 /nfs/dbraw/zinc/14/39/16/150143916.db2.gz JLXYPDORWBGRQG-CZUORRHYSA-N 1 0 308.378 2.782 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H](OCC3CC3)C2)c1 ZINC000372356269 150166484 /nfs/dbraw/zinc/16/64/84/150166484.db2.gz IGRGYMVKPAYNKZ-IAGOWNOFSA-N 1 0 320.389 2.519 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](OC)CC2)ccc1[N+](=O)[O-] ZINC000372804478 150187046 /nfs/dbraw/zinc/18/70/46/150187046.db2.gz MPCPHBSNFLVWMV-AWEZNQCLSA-N 1 0 308.378 2.994 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000372867825 150195059 /nfs/dbraw/zinc/19/50/59/150195059.db2.gz IKKHKFYQTUVLGC-HVHJFMEUSA-N 1 0 317.389 2.551 20 5 DFBDRO CCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000372998086 150213647 /nfs/dbraw/zinc/21/36/47/150213647.db2.gz OTQHWHQQYIWIAG-GOEBONIOSA-N 1 0 324.425 2.760 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000351619759 286171823 /nfs/dbraw/zinc/17/18/23/286171823.db2.gz LFHRXUMJYPQWSJ-GHMZBOCLSA-N 1 0 324.356 2.680 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000373112384 150232717 /nfs/dbraw/zinc/23/27/17/150232717.db2.gz KWUPFYFHKRDGLK-YOEHRIQHSA-N 1 0 319.405 2.816 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000373773488 150256565 /nfs/dbraw/zinc/25/65/65/150256565.db2.gz URIDONDLNBVKFA-NUEKZKHPSA-N 1 0 320.389 2.849 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(OCC3CC3)CC2)cc1 ZINC000374128669 150309063 /nfs/dbraw/zinc/30/90/63/150309063.db2.gz DWKIMAKUDVURJE-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375029359 150387449 /nfs/dbraw/zinc/38/74/49/150387449.db2.gz HFIVIPHJLRFXLW-CJNGLKHVSA-N 1 0 319.405 2.520 20 5 DFBDRO CCc1nc([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)no1 ZINC000377502335 150698243 /nfs/dbraw/zinc/69/82/43/150698243.db2.gz MALUQHKHMMMVEC-ZDUSSCGKSA-N 1 0 316.361 2.920 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351824265 286227103 /nfs/dbraw/zinc/22/71/03/286227103.db2.gz FUNVCSNPQNGVIX-ZDUSSCGKSA-N 1 0 307.369 2.794 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000354983511 286229382 /nfs/dbraw/zinc/22/93/82/286229382.db2.gz OALIYGQJMICEIE-JGGQBBKZSA-N 1 0 308.378 2.748 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000351937094 286249944 /nfs/dbraw/zinc/24/99/44/286249944.db2.gz RYGXIIHXWZSVDG-KBPBESRZSA-N 1 0 321.421 2.906 20 5 DFBDRO COc1cc(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351937293 286250286 /nfs/dbraw/zinc/25/02/86/286250286.db2.gz POIJOIDTNSVCDN-DZGCQCFKSA-N 1 0 319.405 2.662 20 5 DFBDRO CC[NH+]1CCC(N(C)Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000352049475 286279954 /nfs/dbraw/zinc/27/99/54/286279954.db2.gz OBIGCMDSAJDVHP-UHFFFAOYSA-N 1 0 313.348 2.789 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000352073420 286285670 /nfs/dbraw/zinc/28/56/70/286285670.db2.gz GRURSIHAUFZNQM-CYBMUJFWSA-N 1 0 321.421 2.719 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359569 286353040 /nfs/dbraw/zinc/35/30/40/286353040.db2.gz HXOQLPARODIWQU-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000352398308 286363509 /nfs/dbraw/zinc/36/35/09/286363509.db2.gz AFJHTOCIRUORGH-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407828 286365872 /nfs/dbraw/zinc/36/58/72/286365872.db2.gz SBZBREWNGQNYJK-UONOGXRCSA-N 1 0 300.305 2.514 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000294020068 292283276 /nfs/dbraw/zinc/28/32/76/292283276.db2.gz VPSZCAGIZHTSHA-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO COC(=O)CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000352425915 286370388 /nfs/dbraw/zinc/37/03/88/286370388.db2.gz OQAQUCDDFLTTRF-UHFFFAOYSA-N 1 0 324.377 2.625 20 5 DFBDRO CC(C)c1ccc(C(=O)N(C)CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000352502421 286390436 /nfs/dbraw/zinc/39/04/36/286390436.db2.gz URFNBNSNGIAZTA-UHFFFAOYSA-N 1 0 319.405 2.886 20 5 DFBDRO CC(C)[C@@](C)(CO)[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000352891584 286495818 /nfs/dbraw/zinc/49/58/18/286495818.db2.gz HKAHYGSEUBDMNZ-MRXNPFEDSA-N 1 0 319.361 2.746 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1(O)CCOCC1 ZINC000353052829 286539460 /nfs/dbraw/zinc/53/94/60/286539460.db2.gz LNKYUJPBAZRRIL-KAMYIIQDSA-N 1 0 320.389 2.519 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000429160228 296733630 /nfs/dbraw/zinc/73/36/30/296733630.db2.gz HBISGVOIESVKCH-ZDUSSCGKSA-N 1 0 307.394 2.605 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000429674486 296754283 /nfs/dbraw/zinc/75/42/83/296754283.db2.gz UUHFDVOSSOBRTK-CABCVRRESA-N 1 0 305.378 2.509 20 5 DFBDRO CS[C@@H]1CCCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246353147 158087804 /nfs/dbraw/zinc/08/78/04/158087804.db2.gz WJQVJFXOXDEXEX-HUUCEWRRSA-N 1 0 310.419 2.846 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4OCCC[C@H]4C3)nc2c1 ZINC000246882828 158103760 /nfs/dbraw/zinc/10/37/60/158103760.db2.gz UZSKLSZJNQXKSA-FZMZJTMJSA-N 1 0 317.345 2.737 20 5 DFBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246981418 158111804 /nfs/dbraw/zinc/11/18/04/158111804.db2.gz FNYABQNAYTYCKG-WBVHZDCISA-N 1 0 322.405 2.845 20 5 DFBDRO COCCOC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247186571 158122427 /nfs/dbraw/zinc/12/24/27/158122427.db2.gz BOJFTQNFLZBCJP-UONOGXRCSA-N 1 0 308.378 2.641 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000353903862 158232216 /nfs/dbraw/zinc/23/22/16/158232216.db2.gz KIJUKIDUZVXCOX-SMDDNHRTSA-N 1 0 320.393 2.761 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCc2ccn(C)n2)cc1[N+](=O)[O-] ZINC000355056540 158262919 /nfs/dbraw/zinc/26/29/19/158262919.db2.gz KMHAMEJLEKAOKC-LBPRGKRZSA-N 1 0 318.377 2.620 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000358374169 158373094 /nfs/dbraw/zinc/37/30/94/158373094.db2.gz YMLICZWXFQXTAY-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)Cc2cnn(C)c2)cc1[N+](=O)[O-] ZINC000358382789 158374213 /nfs/dbraw/zinc/37/42/13/158374213.db2.gz OQSQZTNJUHPUHE-STQMWFEESA-N 1 0 302.378 2.919 20 5 DFBDRO CSc1ccc(C(=O)N2CCCC[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000286233848 286724983 /nfs/dbraw/zinc/72/49/83/286724983.db2.gz ULSYMWKYEDXXJV-LBPRGKRZSA-N 1 0 323.418 2.660 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000431570714 296840590 /nfs/dbraw/zinc/84/05/90/296840590.db2.gz NUERZEGHFNBLBK-STQMWFEESA-N 1 0 322.409 2.553 20 5 DFBDRO CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000053222401 425887201 /nfs/dbraw/zinc/88/72/01/425887201.db2.gz PMFNNQSSRINPFD-UHFFFAOYSA-N 1 0 319.405 2.787 20 5 DFBDRO C[NH2+][C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000053204713 425887217 /nfs/dbraw/zinc/88/72/17/425887217.db2.gz XLUCLGJQPSPWNX-JTQLQIEISA-N 1 0 303.284 2.802 20 5 DFBDRO C[NH2+]C[C@@H](C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000129568698 196057520 /nfs/dbraw/zinc/05/75/20/196057520.db2.gz SIPHIDMKTKAYJE-MRVPVSSYSA-N 1 0 302.172 2.625 20 5 DFBDRO CC(=O)c1ccc(N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000129805222 196077453 /nfs/dbraw/zinc/07/74/53/196077453.db2.gz DUBOZKYPHHKXFI-NHYWBVRUSA-N 1 0 305.378 2.938 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000131480079 196172801 /nfs/dbraw/zinc/17/28/01/196172801.db2.gz NCCPLFRJLJGBQB-AWEZNQCLSA-N 1 0 320.776 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000131528344 196176872 /nfs/dbraw/zinc/17/68/72/196176872.db2.gz MCHDWRAYXLKTKD-HNNXBMFYSA-N 1 0 320.776 2.941 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132428029 196255090 /nfs/dbraw/zinc/25/50/90/196255090.db2.gz GJHLKYYVEDEFNU-CQSZACIVSA-N 1 0 308.378 2.909 20 5 DFBDRO CC[C@]1(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CCC[NH2+]1 ZINC000134482689 196395941 /nfs/dbraw/zinc/39/59/41/196395941.db2.gz MCTDDXNJCXFFKP-QGZVFWFLSA-N 1 0 319.405 2.566 20 5 DFBDRO COc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000150771755 196583801 /nfs/dbraw/zinc/58/38/01/196583801.db2.gz JYUQFXAVHFEMAR-HNNXBMFYSA-N 1 0 319.405 2.521 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)Cc1cccc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000296641670 226078365 /nfs/dbraw/zinc/07/83/65/226078365.db2.gz CEBRVMLKWYODSF-SJCJKPOMSA-N 1 0 318.348 2.988 20 5 DFBDRO Cc1nc(NC[C@@H](C2CCCCC2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000296671033 226106999 /nfs/dbraw/zinc/10/69/99/226106999.db2.gz ZLCAXDDHMUQKRS-AWEZNQCLSA-N 1 0 307.398 2.616 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296687121 226123921 /nfs/dbraw/zinc/12/39/21/226123921.db2.gz JFZZDBVEKSNKFF-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000296694176 226130890 /nfs/dbraw/zinc/13/08/90/226130890.db2.gz MCTMDZHBNRIMNX-NVXWUHKLSA-N 1 0 314.341 2.611 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000290646616 221814275 /nfs/dbraw/zinc/81/42/75/221814275.db2.gz OIJCBARDNRGIGV-LLVKDONJSA-N 1 0 311.382 2.754 20 5 DFBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000291327755 222317136 /nfs/dbraw/zinc/31/71/36/222317136.db2.gz VJGBOQZDDXKRRN-WCQYABFASA-N 1 0 323.393 2.587 20 5 DFBDRO C[C@H](c1ccco1)[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000299391847 229094131 /nfs/dbraw/zinc/09/41/31/229094131.db2.gz RLKDJYOVAHCRMO-TZMCWYRMSA-N 1 0 320.345 2.621 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2OC(F)F)C1 ZINC000302046595 230061404 /nfs/dbraw/zinc/06/14/04/230061404.db2.gz LDECMQKDQTZEKN-NSHDSACASA-N 1 0 315.320 2.727 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000302165302 230135944 /nfs/dbraw/zinc/13/59/44/230135944.db2.gz RBAIZAQGKUTRBK-ZDUSSCGKSA-N 1 0 321.768 2.753 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000302165301 230137535 /nfs/dbraw/zinc/13/75/35/230137535.db2.gz RBAIZAQGKUTRBK-CYBMUJFWSA-N 1 0 321.768 2.753 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000058298153 425897589 /nfs/dbraw/zinc/89/75/89/425897589.db2.gz HYATXAQVCHBSMQ-UHFFFAOYSA-N 1 0 319.386 2.865 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1 ZINC000058842882 425898512 /nfs/dbraw/zinc/89/85/12/425898512.db2.gz NTWQEXKBKGVMDG-LLVKDONJSA-N 1 0 313.423 2.897 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000063308976 425900725 /nfs/dbraw/zinc/90/07/25/425900725.db2.gz JQSXISKWGHGIPZ-GFCCVEGCSA-N 1 0 305.378 2.964 20 5 DFBDRO Cc1ncc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000065535227 425902965 /nfs/dbraw/zinc/90/29/65/425902965.db2.gz WXGWVFCXAIHWRG-UHFFFAOYSA-N 1 0 307.375 2.871 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000102925885 425931449 /nfs/dbraw/zinc/93/14/49/425931449.db2.gz HHYDZHSHRLPAEG-MRXNPFEDSA-N 1 0 317.389 2.822 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCC[C@H](C)C1 ZINC000026159389 267387595 /nfs/dbraw/zinc/38/75/95/267387595.db2.gz ZONYAYUDUWNVJU-LBPRGKRZSA-N 1 0 321.377 2.664 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008351204 425667537 /nfs/dbraw/zinc/66/75/37/425667537.db2.gz LHNISHXFPFFFMM-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO CC[N@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000027286241 425815769 /nfs/dbraw/zinc/81/57/69/425815769.db2.gz AUCZNBRJQHWKCA-UHFFFAOYSA-N 1 0 305.378 2.848 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000027355423 425816033 /nfs/dbraw/zinc/81/60/33/425816033.db2.gz ANPMQWULWXHPNJ-GFCCVEGCSA-N 1 0 306.366 2.591 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000037140904 425847286 /nfs/dbraw/zinc/84/72/86/425847286.db2.gz HIZCALMXJNPKJE-UHFFFAOYSA-N 1 0 309.797 2.965 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000194252734 268096201 /nfs/dbraw/zinc/09/62/01/268096201.db2.gz HMSIETKGYAWOAY-UHFFFAOYSA-N 1 0 320.393 2.979 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000267116416 268180507 /nfs/dbraw/zinc/18/05/07/268180507.db2.gz ZAGIPRKLPFQDJI-CYBMUJFWSA-N 1 0 309.385 2.898 20 5 DFBDRO C[C@H](O)C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269670618 268189632 /nfs/dbraw/zinc/18/96/32/268189632.db2.gz UOTYYCURXSAAIR-GUYCJALGSA-N 1 0 322.405 2.644 20 5 DFBDRO Cc1nccn1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270908989 268233789 /nfs/dbraw/zinc/23/37/89/268233789.db2.gz SQUGECYNMMLBNQ-UHFFFAOYSA-N 1 0 300.362 2.764 20 5 DFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000270961036 268240629 /nfs/dbraw/zinc/24/06/29/268240629.db2.gz HAOAJRSUAICYTO-FXOGGVSJSA-N 1 0 318.295 2.899 20 5 DFBDRO CC[C@@H]1CO[C@H](C)CN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001386 268247363 /nfs/dbraw/zinc/24/73/63/268247363.db2.gz KZBOSHXGFOMEII-DGCLKSJQSA-N 1 0 324.377 2.611 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000296205458 268298862 /nfs/dbraw/zinc/29/88/62/268298862.db2.gz MHEYFVCXNPAKFY-BZUAXINKSA-N 1 0 320.389 2.566 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000296467475 268306419 /nfs/dbraw/zinc/30/64/19/268306419.db2.gz JUDVCFYOMCMXJF-OAHLLOKOSA-N 1 0 312.373 2.818 20 5 DFBDRO COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CO2 ZINC000297066886 268309041 /nfs/dbraw/zinc/30/90/41/268309041.db2.gz WEQDJQAVDXIJDL-AWEZNQCLSA-N 1 0 314.341 2.697 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N(C)CC[N@H+](C)C1CCCCC1 ZINC000301939349 268323324 /nfs/dbraw/zinc/32/33/24/268323324.db2.gz YEUXXHTUVVBFIM-UHFFFAOYSA-N 1 0 306.410 2.999 20 5 DFBDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000157737394 425939181 /nfs/dbraw/zinc/93/91/81/425939181.db2.gz OPIYZIOINLOADS-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107634655 425997096 /nfs/dbraw/zinc/99/70/96/425997096.db2.gz MLBOTLXVOKPFMU-CQSZACIVSA-N 1 0 317.389 2.685 20 5 DFBDRO O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107629178 425997732 /nfs/dbraw/zinc/99/77/32/425997732.db2.gz ZRTSHBUGMANULV-MRXNPFEDSA-N 1 0 317.389 2.685 20 5 DFBDRO CCOCC[N@H+](CC)CCC(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000107678957 425999596 /nfs/dbraw/zinc/99/95/96/425999596.db2.gz JVKWUXZLINXPMI-UHFFFAOYSA-N 1 0 323.393 2.590 20 5 DFBDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000126496259 426022640 /nfs/dbraw/zinc/02/26/40/426022640.db2.gz PCFQLELGLVLWES-OCCSQVGLSA-N 1 0 305.378 2.565 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(n3cccn3)CC2)c1 ZINC000109006783 426026956 /nfs/dbraw/zinc/02/69/56/426026956.db2.gz LUOWBSDXCJMNBD-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCC[NH+]1CCCCC1)CC2 ZINC000161515528 426027862 /nfs/dbraw/zinc/02/78/62/426027862.db2.gz UDNFMTHHXNLBEM-UHFFFAOYSA-N 1 0 303.406 2.829 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000111254264 426042013 /nfs/dbraw/zinc/04/20/13/426042013.db2.gz QQHSHJIAXLXMHY-GFCCVEGCSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC1CCC1 ZINC000111297500 426044869 /nfs/dbraw/zinc/04/48/69/426044869.db2.gz LXUDMXUCTRXZSG-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000074345022 426047891 /nfs/dbraw/zinc/04/78/91/426047891.db2.gz ROXVVULXJJBVDR-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1csc([N+](=O)[O-])c1 ZINC000127490306 426069355 /nfs/dbraw/zinc/06/93/55/426069355.db2.gz IRORWUOMGSQKDV-UHFFFAOYSA-N 1 0 311.407 2.699 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000072064458 426009307 /nfs/dbraw/zinc/00/93/07/426009307.db2.gz GDQLAVDCHAGHSC-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860757 426087674 /nfs/dbraw/zinc/08/76/74/426087674.db2.gz LUPMTCNCZAQGDJ-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO Cc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000075954852 426090757 /nfs/dbraw/zinc/09/07/57/426090757.db2.gz WAGHSOKOXUCBKV-UHFFFAOYSA-N 1 0 320.393 2.901 20 5 DFBDRO C[NH+](C)C[C@](C)(O)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000128205650 426107121 /nfs/dbraw/zinc/10/71/21/426107121.db2.gz UCKGOAOOHVAGCM-GFCCVEGCSA-N 1 0 322.192 2.626 20 5 DFBDRO C[NH+](C)C[C@@](C)(O)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000128205874 426107125 /nfs/dbraw/zinc/10/71/25/426107125.db2.gz UCKGOAOOHVAGCM-LBPRGKRZSA-N 1 0 322.192 2.626 20 5 DFBDRO CC(C)(C)[C@@H](O)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000164019573 426111380 /nfs/dbraw/zinc/11/13/80/426111380.db2.gz JCPMXOKXMWKZSY-ZBFHGGJFSA-N 1 0 306.406 2.913 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C[C@H]3CCOC3)cs2)c1 ZINC000113321215 426111873 /nfs/dbraw/zinc/11/18/73/426111873.db2.gz JQWZMLLEXQCPQC-LLVKDONJSA-N 1 0 319.386 2.844 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000076478439 426113108 /nfs/dbraw/zinc/11/31/08/426113108.db2.gz YALOGASTWJCOLL-ABAIWWIYSA-N 1 0 323.368 2.536 20 5 DFBDRO COCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000112352722 426074172 /nfs/dbraw/zinc/07/41/72/426074172.db2.gz DONLDZVJUFZPKK-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000112442557 426079224 /nfs/dbraw/zinc/07/92/24/426079224.db2.gz DPKPWFYTHKSXPF-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127725188 426082221 /nfs/dbraw/zinc/08/22/21/426082221.db2.gz BJDONLAGFGBYAG-CYBMUJFWSA-N 1 0 313.785 2.694 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000127725436 426082350 /nfs/dbraw/zinc/08/23/50/426082350.db2.gz BJDONLAGFGBYAG-ZDUSSCGKSA-N 1 0 313.785 2.694 20 5 DFBDRO CCC1(CO)CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000127761973 426085435 /nfs/dbraw/zinc/08/54/35/426085435.db2.gz VMZHNQWUPDDUTP-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1ccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000077730503 426146511 /nfs/dbraw/zinc/14/65/11/426146511.db2.gz ZEYNODPSAZGWBH-CQSZACIVSA-N 1 0 307.394 2.609 20 5 DFBDRO COc1ncccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338354140 268662550 /nfs/dbraw/zinc/66/25/50/268662550.db2.gz LTMRBYCRVGTIKH-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000171708534 426205828 /nfs/dbraw/zinc/20/58/28/426205828.db2.gz ZYLSYXLHYIWHRB-QGZVFWFLSA-N 1 0 303.406 2.698 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cc([N+](=O)[O-])c1 ZINC000116129490 426180456 /nfs/dbraw/zinc/18/04/56/426180456.db2.gz VGKUETGVUNJTHI-HNNXBMFYSA-N 1 0 321.421 2.999 20 5 DFBDRO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([N+](=O)[O-])cc1F ZINC000133608475 426182831 /nfs/dbraw/zinc/18/28/31/426182831.db2.gz BLHDJZBTWHKNCS-YPMHNXCESA-N 1 0 323.368 2.663 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116311646 426185361 /nfs/dbraw/zinc/18/53/61/426185361.db2.gz AALXCMWPHQIQCT-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO CCc1nn(C)c(Cl)c1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000116338982 426188059 /nfs/dbraw/zinc/18/80/59/426188059.db2.gz ZLJSPAJFBBLRBC-UHFFFAOYSA-N 1 0 322.796 2.876 20 5 DFBDRO CC[C@H](C)C[N@H+](C)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171951196 426220236 /nfs/dbraw/zinc/22/02/36/426220236.db2.gz KTNVTHKCXLGHAQ-SWLSCSKDSA-N 1 0 305.378 2.678 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000173664994 426245034 /nfs/dbraw/zinc/24/50/34/426245034.db2.gz PGYCBYYAYZZUOI-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1C ZINC000175016464 426274467 /nfs/dbraw/zinc/27/44/67/426274467.db2.gz LVYXRWHHYYBOIY-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cccc(F)c3)C2)nc1 ZINC000118866426 426250422 /nfs/dbraw/zinc/25/04/22/426250422.db2.gz DAVOCDFRPRNSFY-AWEZNQCLSA-N 1 0 316.336 2.815 20 5 DFBDRO Cc1cccn2c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)cnc12 ZINC000174351508 426254407 /nfs/dbraw/zinc/25/44/07/426254407.db2.gz MHNVQAKRXRGGHC-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO Cc1c(CN2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150849354 426264380 /nfs/dbraw/zinc/26/43/80/426264380.db2.gz BJQAUWDJPQTAPI-HNNXBMFYSA-N 1 0 303.406 2.821 20 5 DFBDRO CC[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119142079 426265310 /nfs/dbraw/zinc/26/53/10/426265310.db2.gz OLCLNLPNGFEPFB-HOTGVXAUSA-N 1 0 308.378 2.831 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000119170470 426267158 /nfs/dbraw/zinc/26/71/58/426267158.db2.gz JBYLHGRQZSHWNC-IOASZLSFSA-N 1 0 319.405 2.972 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCC1CC1 ZINC000135253919 426210976 /nfs/dbraw/zinc/21/09/76/426210976.db2.gz HHCGCVPPHSVMPD-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@@](C)(CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000152171135 426330080 /nfs/dbraw/zinc/33/00/80/426330080.db2.gz FCRHFFGNXJNXKP-HNNXBMFYSA-N 1 0 321.402 2.969 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+](CCO)C3CC3)o2)c1 ZINC000153613744 426395914 /nfs/dbraw/zinc/39/59/14/426395914.db2.gz REYLPYAGMJNAJL-UHFFFAOYSA-N 1 0 302.330 2.812 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000153662972 426397756 /nfs/dbraw/zinc/39/77/56/426397756.db2.gz BXFWIHIDFHYKGK-JSGCOSHPSA-N 1 0 320.393 2.753 20 5 DFBDRO Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000153654893 426397837 /nfs/dbraw/zinc/39/78/37/426397837.db2.gz MBBXAHKKFVPURB-OCCSQVGLSA-N 1 0 320.393 2.850 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000122928056 426404292 /nfs/dbraw/zinc/40/42/92/426404292.db2.gz PVZXBEPYVJXDKA-VXGBXAGGSA-N 1 0 319.361 2.766 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152709556 426349881 /nfs/dbraw/zinc/34/98/81/426349881.db2.gz JTCBTGIDVCQTEU-ZIAGYGMSSA-N 1 0 317.389 2.964 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)cc1[N+](=O)[O-] ZINC000092588728 426350764 /nfs/dbraw/zinc/35/07/64/426350764.db2.gz INUFEGRGITXHPH-CQSZACIVSA-N 1 0 319.405 2.948 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[NH+]2C[C@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152941191 426362720 /nfs/dbraw/zinc/36/27/20/426362720.db2.gz VBBHOHGAVCYNIB-BFHYXJOUSA-N 1 0 317.389 2.962 20 5 DFBDRO Cc1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000122402096 426373807 /nfs/dbraw/zinc/37/38/07/426373807.db2.gz MYZUGVJLZHINJT-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[N@@H+]3C[C@@H]4CCC[C@@H]4C3)o2)cc1 ZINC000153228221 426377794 /nfs/dbraw/zinc/37/77/94/426377794.db2.gz DBIUTJVNJGBNAD-BETUJISGSA-N 1 0 314.345 2.877 20 5 DFBDRO CC(C)(C)OC[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153300547 426379814 /nfs/dbraw/zinc/37/98/14/426379814.db2.gz MYKVEHGJWNZZLU-INIZCTEOSA-N 1 0 322.405 2.735 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000122586700 426383178 /nfs/dbraw/zinc/38/31/78/426383178.db2.gz MGBMNTPUCAHKTK-DGCLKSJQSA-N 1 0 305.378 2.820 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc([N+](=O)[O-])c1 ZINC000123179294 426418390 /nfs/dbraw/zinc/41/83/90/426418390.db2.gz ALAJSEBYTWMLHZ-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000123397224 426431191 /nfs/dbraw/zinc/43/11/91/426431191.db2.gz AKSDYYMVZKMILB-WMLDXEAASA-N 1 0 321.421 2.746 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000177040132 426437972 /nfs/dbraw/zinc/43/79/72/426437972.db2.gz OTVRGUICCSEVFC-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000177082412 426441633 /nfs/dbraw/zinc/44/16/33/426441633.db2.gz YDUWITMSPBEZLV-NXEZZACHSA-N 1 0 323.780 2.603 20 5 DFBDRO COC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177073097 426442042 /nfs/dbraw/zinc/44/20/42/426442042.db2.gz NEQZTRXOHGWMBA-LLVKDONJSA-N 1 0 305.334 2.594 20 5 DFBDRO CCN(CC[NH+]1CCCCCC1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000340985121 269033328 /nfs/dbraw/zinc/03/33/28/269033328.db2.gz YFKGICQAOQHXFT-UHFFFAOYSA-N 1 0 323.441 2.822 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000341060431 269036543 /nfs/dbraw/zinc/03/65/43/269036543.db2.gz NQRBTTAWEQIJHK-STQMWFEESA-N 1 0 305.378 2.588 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000177247089 426459612 /nfs/dbraw/zinc/45/96/12/426459612.db2.gz LEMXEMXVQIJWMU-HIFRSBDPSA-N 1 0 318.377 2.685 20 5 DFBDRO Cc1c(C(=O)N2CCC(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000124414212 426483849 /nfs/dbraw/zinc/48/38/49/426483849.db2.gz VMBGAVZCPSKNMW-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000186578360 426554359 /nfs/dbraw/zinc/55/43/59/426554359.db2.gz KZACWYUZRFFPAJ-RDJZCZTQSA-N 1 0 322.405 2.559 20 5 DFBDRO COCCCOCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000272387734 426513303 /nfs/dbraw/zinc/51/33/03/426513303.db2.gz UAMFYSGBYBTNFR-VMPITWQZSA-N 1 0 308.378 2.593 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000177783246 426521427 /nfs/dbraw/zinc/52/14/27/426521427.db2.gz UQMHOPGDDIJVLG-CABCVRRESA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3cc[nH]n3)CC2)c1 ZINC000195507588 426529418 /nfs/dbraw/zinc/52/94/18/426529418.db2.gz PQXYFCGCEGKMFN-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ncc([N+](=O)[O-])s3)C2)CC1 ZINC000195511945 426534153 /nfs/dbraw/zinc/53/41/53/426534153.db2.gz WLELSAINCMNACG-ZDUSSCGKSA-N 1 0 324.450 3.000 20 5 DFBDRO COc1cc(C[NH2+]C2CCC2)c([N+](=O)[O-])cc1OCC(F)F ZINC000272471019 426534688 /nfs/dbraw/zinc/53/46/88/426534688.db2.gz RSSNXWTZULUTGA-UHFFFAOYSA-N 1 0 316.304 2.889 20 5 DFBDRO C[C@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000177976996 426549719 /nfs/dbraw/zinc/54/97/19/426549719.db2.gz QPTOJABHAVRAHP-KGLIPLIRSA-N 1 0 319.405 2.579 20 5 DFBDRO C[C@@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000177976957 426550092 /nfs/dbraw/zinc/55/00/92/426550092.db2.gz QPTOJABHAVRAHP-UONOGXRCSA-N 1 0 319.405 2.579 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000272539062 426550632 /nfs/dbraw/zinc/55/06/32/426550632.db2.gz OQXSYPGNNQUVOB-OAHLLOKOSA-N 1 0 300.362 2.950 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000194730164 426491532 /nfs/dbraw/zinc/49/15/32/426491532.db2.gz XMRSTOMEJCMNRA-LBPRGKRZSA-N 1 0 319.386 2.634 20 5 DFBDRO COC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000177580861 426497653 /nfs/dbraw/zinc/49/76/53/426497653.db2.gz MDQAZFKSSBAXLO-MRXNPFEDSA-N 1 0 300.358 2.942 20 5 DFBDRO CC(C)[NH2+]C1CCN(c2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000288091988 426504082 /nfs/dbraw/zinc/50/40/82/426504082.db2.gz WLAFRYVFYBBMRS-UHFFFAOYSA-N 1 0 321.406 2.566 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688335 426505974 /nfs/dbraw/zinc/50/59/74/426505974.db2.gz VPGBINCBNHFROG-HIFRSBDPSA-N 1 0 321.421 2.908 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000186688039 426578567 /nfs/dbraw/zinc/57/85/67/426578567.db2.gz PFABZTAGENGXBD-JOYOIKCWSA-N 1 0 319.386 2.537 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000280461679 426581711 /nfs/dbraw/zinc/58/17/11/426581711.db2.gz ZXBUUYBFFCDNIB-IVMMDQJWSA-N 1 0 320.389 2.705 20 5 DFBDRO C[C@H](NC(=O)c1cccc(Cl)c1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000273044239 426582139 /nfs/dbraw/zinc/58/21/39/426582139.db2.gz WORNBWMSUBEMOZ-JTQLQIEISA-N 1 0 323.780 2.628 20 5 DFBDRO Cc1cccc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)c1 ZINC000273062636 426586250 /nfs/dbraw/zinc/58/62/50/426586250.db2.gz IAEYXKYFQJRNJE-OAHLLOKOSA-N 1 0 300.362 2.589 20 5 DFBDRO COc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000273098916 426593307 /nfs/dbraw/zinc/59/33/07/426593307.db2.gz VJORMFCYZBKYEB-HOTGVXAUSA-N 1 0 306.362 2.651 20 5 DFBDRO O=C(CC[N@@H+]1CCCC2(CC2)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000186966613 426616620 /nfs/dbraw/zinc/61/66/20/426616620.db2.gz NTCRVVGUJHAEHU-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272562077 426559170 /nfs/dbraw/zinc/55/91/70/426559170.db2.gz LWKQEKPYFWSOMT-QWHCGFSZSA-N 1 0 308.378 2.585 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CC[NH2+]CC1 ZINC000178446254 426631427 /nfs/dbraw/zinc/63/14/27/426631427.db2.gz ONENTXSWAATQAX-UHFFFAOYSA-N 1 0 319.386 2.634 20 5 DFBDRO COCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273274952 426631985 /nfs/dbraw/zinc/63/19/85/426631985.db2.gz MXARQNOKMPFGGW-LSDHHAIUSA-N 1 0 320.345 2.589 20 5 DFBDRO CCC(=O)c1ccc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC000280689506 426634183 /nfs/dbraw/zinc/63/41/83/426634183.db2.gz JFHCECAXXDKUFQ-ZDUSSCGKSA-N 1 0 319.405 2.966 20 5 DFBDRO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000178524090 426648655 /nfs/dbraw/zinc/64/86/55/426648655.db2.gz LISDSYVVSIKOKZ-CQSZACIVSA-N 1 0 320.389 2.801 20 5 DFBDRO CC(C)[N@H+](C)CCCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273367778 426651683 /nfs/dbraw/zinc/65/16/83/426651683.db2.gz GJPVRACNOPJPFX-UHFFFAOYSA-N 1 0 312.345 2.586 20 5 DFBDRO CCCC[C@H](C)[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273376629 426654803 /nfs/dbraw/zinc/65/48/03/426654803.db2.gz BNMXLYNEHKBNEI-LBPRGKRZSA-N 1 0 314.407 2.537 20 5 DFBDRO C[N@H+](CCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C1CC1 ZINC000234273061 426655818 /nfs/dbraw/zinc/65/58/18/426655818.db2.gz ZZFFQLLBNSTXDV-UHFFFAOYSA-N 1 0 304.272 2.515 20 5 DFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000235157557 426657277 /nfs/dbraw/zinc/65/72/77/426657277.db2.gz CBYYAYHGISMNQF-NSHDSACASA-N 1 0 309.366 2.598 20 5 DFBDRO C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000235159110 426658722 /nfs/dbraw/zinc/65/87/22/426658722.db2.gz UMYUAUMLRNWQTI-NSHDSACASA-N 1 0 309.366 2.598 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)c(Br)cc1[N+](=O)[O-] ZINC000235839505 426660582 /nfs/dbraw/zinc/66/05/82/426660582.db2.gz BNWVTINHLIFNAB-VIFPVBQESA-N 1 0 314.183 2.593 20 5 DFBDRO C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000178658207 426670580 /nfs/dbraw/zinc/67/05/80/426670580.db2.gz KWBDINFBBDWQMP-UONOGXRCSA-N 1 0 308.378 2.689 20 5 DFBDRO C[NH+]1CCC(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273526830 426679845 /nfs/dbraw/zinc/67/98/45/426679845.db2.gz ZZWOCMQGOBMUMG-UHFFFAOYSA-N 1 0 324.356 2.587 20 5 DFBDRO CCN(CCCNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273575828 426687867 /nfs/dbraw/zinc/68/78/67/426687867.db2.gz DZLGNWATFWXAJM-UHFFFAOYSA-N 1 0 301.350 2.713 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@H](C)CO)o2)c([N+](=O)[O-])c1 ZINC000237288367 426688997 /nfs/dbraw/zinc/68/89/97/426688997.db2.gz JLQZPSMAOIFCOH-NSHDSACASA-N 1 0 320.345 2.581 20 5 DFBDRO C[C@H]([NH2+]C(C)(C)CNc1ncc([N+](=O)[O-])cn1)c1ccccc1 ZINC000273668593 426705043 /nfs/dbraw/zinc/70/50/43/426705043.db2.gz XFHRFLRYPNQZJN-LBPRGKRZSA-N 1 0 315.377 2.926 20 5 DFBDRO CC(C)OCCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000265900044 426707095 /nfs/dbraw/zinc/70/70/95/426707095.db2.gz URNMHEAVMCKNLB-CYBMUJFWSA-N 1 0 323.393 2.669 20 5 DFBDRO COc1cc(C[N@H+](C)CCCSC)c([N+](=O)[O-])cc1OC ZINC000281319743 426713408 /nfs/dbraw/zinc/71/34/08/426713408.db2.gz RCIUYHYWVUZFFZ-UHFFFAOYSA-N 1 0 314.407 2.797 20 5 DFBDRO C[C@@H](NC(=O)[C@@H](C1CC1)[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000273845260 426713821 /nfs/dbraw/zinc/71/38/21/426713821.db2.gz MPAHQHHQUAJFJT-MLGOLLRUSA-N 1 0 317.389 2.646 20 5 DFBDRO C[NH2+]C[C@@H](C)CNC(=O)c1cc2ccccc2c2cccnc12 ZINC000237338089 426691889 /nfs/dbraw/zinc/69/18/89/426691889.db2.gz YOOZVNRIXZIMLB-CYBMUJFWSA-N 1 0 307.397 2.973 20 5 DFBDRO O=[N+]([O-])c1cnc(NCCCCCCC[NH+]2CCCC2)nc1 ZINC000273595990 426694940 /nfs/dbraw/zinc/69/49/40/426694940.db2.gz IJQSYEVLFAQAMO-UHFFFAOYSA-N 1 0 307.398 2.843 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](OCc3ccncc3)C2)c1 ZINC000280966664 426697515 /nfs/dbraw/zinc/69/75/15/426697515.db2.gz KFKURFWUSABLIL-KRWDZBQOSA-N 1 0 313.357 2.781 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Oc2cccc([N+](=O)[O-])c2)C1 ZINC000290443052 426766579 /nfs/dbraw/zinc/76/65/79/426766579.db2.gz HZXMSJBGMDQEHF-OAHLLOKOSA-N 1 0 310.325 2.713 20 5 DFBDRO COC(=O)C1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266787101 426778169 /nfs/dbraw/zinc/77/81/69/426778169.db2.gz ONOOFXZUGXTWMZ-PNESKVBLSA-N 1 0 306.362 2.977 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000266796085 426779957 /nfs/dbraw/zinc/77/99/57/426779957.db2.gz QNWOKYDVAJWZKS-DYVFJYSZSA-N 1 0 300.358 2.849 20 5 DFBDRO COc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1[N+](=O)[O-] ZINC000266794328 426779985 /nfs/dbraw/zinc/77/99/85/426779985.db2.gz XTEDUYLSMVMDLR-UHFFFAOYSA-N 1 0 316.361 2.706 20 5 DFBDRO CC[N@H+](CCNc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CC1 ZINC000290538384 426787485 /nfs/dbraw/zinc/78/74/85/426787485.db2.gz IDXIGKVKGMSDPO-UHFFFAOYSA-N 1 0 309.366 2.508 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2cnn(C)c2)C1 ZINC000266125677 426723019 /nfs/dbraw/zinc/72/30/19/426723019.db2.gz PYMUGOWXTRVSMH-OLZOCXBDSA-N 1 0 300.362 2.879 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](Cn2cncn2)C1 ZINC000266511658 426728248 /nfs/dbraw/zinc/72/82/48/426728248.db2.gz DTIXIHBDZLYJPY-ZIAGYGMSSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000266522421 426731106 /nfs/dbraw/zinc/73/11/06/426731106.db2.gz JBPUREITCDRRNQ-LBPRGKRZSA-N 1 0 317.389 2.646 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000245531072 426748455 /nfs/dbraw/zinc/74/84/55/426748455.db2.gz SYHKHXUWWDXHNZ-OLZOCXBDSA-N 1 0 305.378 2.552 20 5 DFBDRO C[C@H]1CN(C)CC[C@@H]1[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000290595591 426801993 /nfs/dbraw/zinc/80/19/93/426801993.db2.gz VPRBYZGIFIOTLB-YKNXIFKJSA-N 1 0 303.406 2.880 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000266995701 426808650 /nfs/dbraw/zinc/80/86/50/426808650.db2.gz WXOKOYFHEYUYHK-QGZVFWFLSA-N 1 0 320.437 2.587 20 5 DFBDRO CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000246230313 426813295 /nfs/dbraw/zinc/81/32/95/426813295.db2.gz MMELFLXMHSJXQN-CHWSQXEVSA-N 1 0 305.378 2.962 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000267027957 426814652 /nfs/dbraw/zinc/81/46/52/426814652.db2.gz MAMQIGYMUCVJSS-CYBMUJFWSA-N 1 0 307.369 2.652 20 5 DFBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282217170 426855063 /nfs/dbraw/zinc/85/50/63/426855063.db2.gz YKPCCJMMRCYFEZ-MFKMUULPSA-N 1 0 309.341 2.841 20 5 DFBDRO CCSCCC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-] ZINC000281916193 426791230 /nfs/dbraw/zinc/79/12/30/426791230.db2.gz GNVRGNTWIZQUHG-UHFFFAOYSA-N 1 0 300.380 2.542 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000266910806 426794643 /nfs/dbraw/zinc/79/46/43/426794643.db2.gz CURPAVRFFIRJQT-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000290857063 426856833 /nfs/dbraw/zinc/85/68/33/426856833.db2.gz YCGMELRPOYDXET-CMPLNLGQSA-N 1 0 303.362 2.835 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])cc1Cl ZINC000267298754 426865841 /nfs/dbraw/zinc/86/58/41/426865841.db2.gz UCZVXNOGXONZJD-QWRGUYRKSA-N 1 0 310.785 2.706 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000291067163 426877029 /nfs/dbraw/zinc/87/70/29/426877029.db2.gz YIEGIXOYHUVHNL-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000295294142 426893259 /nfs/dbraw/zinc/89/32/59/426893259.db2.gz UORFQCKCKAAYOA-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000291479751 426894937 /nfs/dbraw/zinc/89/49/37/426894937.db2.gz RNOVCEAKQMETDS-UHFFFAOYSA-N 1 0 317.389 2.970 20 5 DFBDRO C[NH+](C)Cc1ccsc1C(=O)NCc1ccccc1[N+](=O)[O-] ZINC000268071400 426905824 /nfs/dbraw/zinc/90/58/24/426905824.db2.gz COSTVVQMNHTCOS-UHFFFAOYSA-N 1 0 319.386 2.648 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c2cnccc21 ZINC000268096099 426910403 /nfs/dbraw/zinc/91/04/03/426910403.db2.gz ATLOQAVCUGJILC-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H](CO)C[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305852004 426913079 /nfs/dbraw/zinc/91/30/79/426913079.db2.gz VGRFWLIQGVYJNS-CXAGYDPISA-N 1 0 300.358 2.902 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2cnn(C)c2)C1 ZINC000247543879 426949894 /nfs/dbraw/zinc/94/98/94/426949894.db2.gz RGLQYIKDZKXXSJ-TZMCWYRMSA-N 1 0 300.362 2.879 20 5 DFBDRO COc1cc(NC[C@@H]2CC[N@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000268206721 426951281 /nfs/dbraw/zinc/95/12/81/426951281.db2.gz HGRSLYAQZOOUNZ-ZDUSSCGKSA-N 1 0 307.394 2.993 20 5 DFBDRO COc1cc(N(C)C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1F ZINC000268216785 426952992 /nfs/dbraw/zinc/95/29/92/426952992.db2.gz RMBPOXPPCDBELI-NSHDSACASA-N 1 0 311.357 2.521 20 5 DFBDRO C[C@H]1CN(c2ccc3ncccc3c2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000268235619 426958062 /nfs/dbraw/zinc/95/80/62/426958062.db2.gz MHDZUGJFMFNBFT-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO CS[C@H](CO)[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247923356 426965122 /nfs/dbraw/zinc/96/51/22/426965122.db2.gz BJSWUZVMICNWPF-DJSGYFEHSA-N 1 0 324.446 2.618 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000276138635 426994403 /nfs/dbraw/zinc/99/44/03/426994403.db2.gz AVRPCDBHYULNTJ-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO C[NH+](C)CCN(Cc1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000268313057 426983002 /nfs/dbraw/zinc/98/30/02/426983002.db2.gz KLKASPBZKSXMSB-UHFFFAOYSA-N 1 0 300.362 2.558 20 5 DFBDRO C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000248178079 426986027 /nfs/dbraw/zinc/98/60/27/426986027.db2.gz VYVRQRHPWBHUCT-WMLDXEAASA-N 1 0 317.433 2.847 20 5 DFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ncccc1[N+](=O)[O-] ZINC000268348161 426992945 /nfs/dbraw/zinc/99/29/45/426992945.db2.gz UGGASMPFHSQURP-UHFFFAOYSA-N 1 0 318.352 2.697 20 5 DFBDRO COCCO[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000189733416 426935463 /nfs/dbraw/zinc/93/54/63/426935463.db2.gz PKZVRGLIXJOCTM-ZFWWWQNUSA-N 1 0 308.378 2.702 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000190289850 427063103 /nfs/dbraw/zinc/06/31/03/427063103.db2.gz LOIRVFQXTQIVRN-UHFFFAOYSA-N 1 0 317.336 2.974 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000248438463 427001653 /nfs/dbraw/zinc/00/16/53/427001653.db2.gz BUUUNOIIFOVSDW-ILXRZTDVSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000248474840 427004599 /nfs/dbraw/zinc/00/45/99/427004599.db2.gz XKZKVBRPLVYRRU-CABCVRRESA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000248470403 427005197 /nfs/dbraw/zinc/00/51/97/427005197.db2.gz VAGKWXXMMZJUKN-LSDHHAIUSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1SCCN1CCOCC1 ZINC000276244172 427016579 /nfs/dbraw/zinc/01/65/79/427016579.db2.gz PWIDQNHNBJPHCR-UHFFFAOYSA-N 1 0 302.783 2.673 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000291902908 427019518 /nfs/dbraw/zinc/01/95/18/427019518.db2.gz KHGHCVOOOBLOBU-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO Cc1nc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268486243 427032204 /nfs/dbraw/zinc/03/22/04/427032204.db2.gz MRPLQNSCPGUILW-CHWSQXEVSA-N 1 0 322.409 2.600 20 5 DFBDRO Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)c3cccc([N+](=O)[O-])c3)C2)[nH]1 ZINC000268510363 427039287 /nfs/dbraw/zinc/03/92/87/427039287.db2.gz UOSSGXWOSYELPS-RISCZKNCSA-N 1 0 315.377 2.962 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000291982634 427046289 /nfs/dbraw/zinc/04/62/89/427046289.db2.gz JUQBIZRCTGLJOC-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO CC(C)([NH2+]CCO[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000292050377 427072944 /nfs/dbraw/zinc/07/29/44/427072944.db2.gz BLHIJVGENWTDDD-OAHLLOKOSA-N 1 0 308.378 2.963 20 5 DFBDRO CCN(CC(F)F)C(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000182516547 427091179 /nfs/dbraw/zinc/09/11/79/427091179.db2.gz HFFPGCSKAJHTNY-UHFFFAOYSA-N 1 0 324.287 2.508 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCCC[C@H]1C ZINC000249297488 427104878 /nfs/dbraw/zinc/10/48/78/427104878.db2.gz BMZUVBDONMPGDS-HIFRSBDPSA-N 1 0 307.394 2.657 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3nc4ccccc4cc3[N+](=O)[O-])[C@@H]2C1 ZINC000276663567 427114826 /nfs/dbraw/zinc/11/48/26/427114826.db2.gz SBMXHNVZHBRTAE-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1c[nH]c2ccccc12 ZINC000190454392 427116692 /nfs/dbraw/zinc/11/66/92/427116692.db2.gz CCURAWXGQCVWFU-UHFFFAOYSA-N 1 0 313.361 2.795 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000182708890 427129803 /nfs/dbraw/zinc/12/98/03/427129803.db2.gz DQXXAPMTGGXZKG-UKRRQHHQSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268955611 427141782 /nfs/dbraw/zinc/14/17/82/427141782.db2.gz WNBAHIRJAMTPML-QEJZJMRPSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000249750165 427142575 /nfs/dbraw/zinc/14/25/75/427142575.db2.gz QGNGAPLMHJYTQB-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155867 427144749 /nfs/dbraw/zinc/14/47/49/427144749.db2.gz POXGMHMOFZMIMP-MEBBXXQBSA-N 1 0 321.402 2.797 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCc1ccc([N+](=O)[O-])cc1 ZINC000152757375 271046321 /nfs/dbraw/zinc/04/63/21/271046321.db2.gz MNAHGXQJOMLCHC-HZPDHXFCSA-N 1 0 319.405 2.551 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171694168 271105488 /nfs/dbraw/zinc/10/54/88/271105488.db2.gz SLIIZRJFCUBSQQ-LBPRGKRZSA-N 1 0 323.418 2.669 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCS[C@@H](C)C1 ZINC000171694193 271106342 /nfs/dbraw/zinc/10/63/42/271106342.db2.gz HFCBQFGZHZIWHI-LBPRGKRZSA-N 1 0 323.418 2.669 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177690551 271183154 /nfs/dbraw/zinc/18/31/54/271183154.db2.gz ARHLBEPRAWMGFM-AWEZNQCLSA-N 1 0 321.421 2.767 20 5 DFBDRO CC(C)C[C@@](C)(C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269298154 427165477 /nfs/dbraw/zinc/16/54/77/427165477.db2.gz WPTZWCGXSLWKTL-INIZCTEOSA-N 1 0 319.361 2.834 20 5 DFBDRO O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN2CCCC[C@H]2C1 ZINC000264414457 271273957 /nfs/dbraw/zinc/27/39/57/271273957.db2.gz MHENABHSKOCNAX-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO Cn1cc([C@H](CNc2ccc([N+](=O)[O-])cc2Cl)[NH+](C)C)cn1 ZINC000301307049 271361255 /nfs/dbraw/zinc/36/12/55/271361255.db2.gz ZORQBLPQLVZIGE-AWEZNQCLSA-N 1 0 323.784 2.697 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000285388186 427217588 /nfs/dbraw/zinc/21/75/88/427217588.db2.gz BVZUYUSSASQWIW-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO CC[C@@H](C)C[N@H+](C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000252443042 427173531 /nfs/dbraw/zinc/17/35/31/427173531.db2.gz KTNVTHKCXLGHAQ-DOMZBBRYSA-N 1 0 305.378 2.678 20 5 DFBDRO Cn1ccnc1[C@@H](NC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277493454 427219004 /nfs/dbraw/zinc/21/90/04/427219004.db2.gz NMNMDLIIKCNBKG-ZDUSSCGKSA-N 1 0 322.315 2.805 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000292435232 427182002 /nfs/dbraw/zinc/18/20/02/427182002.db2.gz MFLBXWVSHLQJRZ-CHWSQXEVSA-N 1 0 307.394 2.798 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252667225 427193609 /nfs/dbraw/zinc/19/36/09/427193609.db2.gz HEYCIGSDQZNAFK-STQMWFEESA-N 1 0 309.797 2.965 20 5 DFBDRO O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)Nc1cccc([N+](=O)[O-])c1 ZINC000277420766 427197453 /nfs/dbraw/zinc/19/74/53/427197453.db2.gz HKXFYCGTOMYGHJ-OAHLLOKOSA-N 1 0 318.377 2.733 20 5 DFBDRO COCC1(CC[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CCC1 ZINC000292903301 427205412 /nfs/dbraw/zinc/20/54/12/427205412.db2.gz GTIVYXPMTHSETI-UHFFFAOYSA-N 1 0 324.377 2.605 20 5 DFBDRO CCC(CC)(CCO)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000338373443 427284838 /nfs/dbraw/zinc/28/48/38/427284838.db2.gz SLQMQHRWVYVONC-UHFFFAOYSA-N 1 0 306.366 2.502 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285394153 427220299 /nfs/dbraw/zinc/22/02/99/427220299.db2.gz WWMKHZZDZFBICN-WCQYABFASA-N 1 0 305.378 2.929 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000183213268 427222985 /nfs/dbraw/zinc/22/29/85/427222985.db2.gz DEXQWECZIGMTGS-LBPRGKRZSA-N 1 0 307.394 2.716 20 5 DFBDRO C[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285409714 427223318 /nfs/dbraw/zinc/22/33/18/427223318.db2.gz XRCHIQRONBVFCU-BDAKNGLRSA-N 1 0 321.299 2.795 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000183206757 427224075 /nfs/dbraw/zinc/22/40/75/427224075.db2.gz PPCFZMYVUGTXOT-GFCCVEGCSA-N 1 0 307.394 2.716 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000285601402 427286088 /nfs/dbraw/zinc/28/60/88/427286088.db2.gz PPEUJMGTWREMHY-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO O=C(NCc1ccccc1[N+](=O)[O-])[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000269627766 427234304 /nfs/dbraw/zinc/23/43/04/427234304.db2.gz DYGVQAYMKXTRSA-INIZCTEOSA-N 1 0 317.389 2.618 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000330456790 427245515 /nfs/dbraw/zinc/24/55/15/427245515.db2.gz OAYVMLKGZFOZLL-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000255282158 427253375 /nfs/dbraw/zinc/25/33/75/427253375.db2.gz BLIVIIKQNJEKEG-SREVYHEPSA-N 1 0 317.389 2.597 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000330544685 427261601 /nfs/dbraw/zinc/26/16/01/427261601.db2.gz BQPVYFMXQOMDAJ-UHFFFAOYSA-N 1 0 311.407 2.508 20 5 DFBDRO COc1cccc(C[N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)c1 ZINC000269719325 427261578 /nfs/dbraw/zinc/26/15/78/427261578.db2.gz SXYNURSEIHUECP-KRWDZBQOSA-N 1 0 316.357 2.769 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330569367 427268145 /nfs/dbraw/zinc/26/81/45/427268145.db2.gz MBJYWJHFAJGNMX-QWHCGFSZSA-N 1 0 307.394 2.518 20 5 DFBDRO CCN(CCC[NH+](C)C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000277677317 427283327 /nfs/dbraw/zinc/28/33/27/427283327.db2.gz CKJFTPFEOGKAAU-UHFFFAOYSA-N 1 0 320.315 2.787 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000338688800 271576305 /nfs/dbraw/zinc/57/63/05/271576305.db2.gz GPOSJSVIHQUNMA-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCN(c3ccccn3)CC2)cc1 ZINC000183836490 427348130 /nfs/dbraw/zinc/34/81/30/427348130.db2.gz KUTPJTLICHXGEM-UHFFFAOYSA-N 1 0 312.373 2.702 20 5 DFBDRO CCCCN(CC)C(=O)CN(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338379994 427287754 /nfs/dbraw/zinc/28/77/54/427287754.db2.gz RHUUDOFZHIHYGZ-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)C[C@@H]1C ZINC000330666392 427288537 /nfs/dbraw/zinc/28/85/37/427288537.db2.gz IDGFMHLYQANVDX-ZDUSSCGKSA-N 1 0 307.394 2.518 20 5 DFBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000277706074 427290273 /nfs/dbraw/zinc/29/02/73/427290273.db2.gz HZVYFFZCYWRQFM-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000262789511 427372730 /nfs/dbraw/zinc/37/27/30/427372730.db2.gz MWZBHDRKYMJJMF-JOYOIKCWSA-N 1 0 319.386 2.537 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000271016512 427373983 /nfs/dbraw/zinc/37/39/83/427373983.db2.gz NGFUSDBYEQPVHY-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1ccnc1 ZINC000271068908 427394744 /nfs/dbraw/zinc/39/47/44/427394744.db2.gz DNLKDSATXXZGFY-ZDUSSCGKSA-N 1 0 320.418 2.952 20 5 DFBDRO CCOC1CC(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000286032099 427408179 /nfs/dbraw/zinc/40/81/79/427408179.db2.gz PWYUNSAGDDSUKP-UHFFFAOYSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293708932 427411573 /nfs/dbraw/zinc/41/15/73/427411573.db2.gz SGPPSDKCOMHGDN-UHFFFAOYSA-N 1 0 306.362 2.632 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000277919268 427359448 /nfs/dbraw/zinc/35/94/48/427359448.db2.gz MZHPWHNFPCSTJX-OAHLLOKOSA-N 1 0 317.389 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1NCC1CC[NH+](C3CC3)CC1)CCN2 ZINC000277923349 427362664 /nfs/dbraw/zinc/36/26/64/427362664.db2.gz QBNOCTFMFJGGTB-UHFFFAOYSA-N 1 0 316.405 2.849 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000339935502 271698348 /nfs/dbraw/zinc/69/83/48/271698348.db2.gz IBLMVLIYRWELTB-CHWSQXEVSA-N 1 0 322.409 2.685 20 5 DFBDRO Cc1cnc(C(C)(C)[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)s1 ZINC000183983454 427369321 /nfs/dbraw/zinc/36/93/21/427369321.db2.gz RKCCJVUMAYZKMX-ZDUSSCGKSA-N 1 0 321.402 2.918 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCC[C@H]2c2ccncc2)c1 ZINC000271004660 427369339 /nfs/dbraw/zinc/36/93/39/427369339.db2.gz KWGFWYKVXVBNER-IRXDYDNUSA-N 1 0 313.357 2.860 20 5 DFBDRO COc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000277952314 427369411 /nfs/dbraw/zinc/36/94/11/427369411.db2.gz IQQLCBOHVFGIMT-CYBMUJFWSA-N 1 0 323.393 2.516 20 5 DFBDRO CN(c1nc2cc([N+](=O)[O-])ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286234519 427465068 /nfs/dbraw/zinc/46/50/68/427465068.db2.gz CVSPLCUAIXZTCQ-QYJAPNMZSA-N 1 0 315.377 2.533 20 5 DFBDRO C[C@H]1C[C@@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000293855484 427466242 /nfs/dbraw/zinc/46/62/42/427466242.db2.gz CXXGOKBMHXQDKG-STQMWFEESA-N 1 0 319.405 2.676 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000338745972 427467402 /nfs/dbraw/zinc/46/74/02/427467402.db2.gz PBICTVOUYSFBQQ-QGZVFWFLSA-N 1 0 317.389 2.720 20 5 DFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c(F)cc1[N+](=O)[O-] ZINC000286307701 427487297 /nfs/dbraw/zinc/48/72/97/427487297.db2.gz JYDKMVMONXQIIL-RYUDHWBXSA-N 1 0 323.368 2.806 20 5 DFBDRO C[C@H](CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000278455013 427438725 /nfs/dbraw/zinc/43/87/25/427438725.db2.gz SBODEIDHIWWIKK-MRVPVSSYSA-N 1 0 318.299 2.903 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000184575586 427492411 /nfs/dbraw/zinc/49/24/11/427492411.db2.gz AJBURFOWIJEQMI-GFCCVEGCSA-N 1 0 306.318 2.544 20 5 DFBDRO Nc1ccc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323715 427492991 /nfs/dbraw/zinc/49/29/91/427492991.db2.gz UXGRWRBPLWWYAF-IUODEOHRSA-N 1 0 316.405 2.630 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000338797201 427495176 /nfs/dbraw/zinc/49/51/76/427495176.db2.gz XRWKQLYQZHITFD-KBPBESRZSA-N 1 0 305.378 2.693 20 5 DFBDRO O=[N+]([O-])c1cc2c(ncnc2N[C@H]2CC[N@@H+]3CCCC[C@H]23)s1 ZINC000286343400 427500067 /nfs/dbraw/zinc/50/00/67/427500067.db2.gz KKHWUOSRPDYINF-WDEREUQCSA-N 1 0 319.390 2.638 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])CCS1 ZINC000192189842 427502756 /nfs/dbraw/zinc/50/27/56/427502756.db2.gz OJCMLYYXXSRRFS-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCC[C@H]2OC)c([N+](=O)[O-])cc1OC ZINC000341253355 271803109 /nfs/dbraw/zinc/80/31/09/271803109.db2.gz CCDAZIXEVIKAOK-BXUZGUMPSA-N 1 0 324.377 2.517 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000184616795 427506585 /nfs/dbraw/zinc/50/65/85/427506585.db2.gz DVYPDVMTSWTKCQ-NSHDSACASA-N 1 0 321.377 2.710 20 5 DFBDRO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000286375524 427507933 /nfs/dbraw/zinc/50/79/33/427507933.db2.gz OBJPLDKHWYRGSS-TZMCWYRMSA-N 1 0 305.378 2.666 20 5 DFBDRO COc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000286375499 427509129 /nfs/dbraw/zinc/50/91/29/427509129.db2.gz OBJPLDKHWYRGSS-GXTWGEPZSA-N 1 0 305.378 2.666 20 5 DFBDRO CC[N@H+](CCNC(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000338829279 427509375 /nfs/dbraw/zinc/50/93/75/427509375.db2.gz PVVOYNSAKBEUKG-CYBMUJFWSA-N 1 0 322.409 2.685 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccc(C)o1 ZINC000184676763 427514321 /nfs/dbraw/zinc/51/43/21/427514321.db2.gz IVUUCGNUVTUFKU-HNNXBMFYSA-N 1 0 320.345 2.852 20 5 DFBDRO CN(C)C(=O)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278983605 427522555 /nfs/dbraw/zinc/52/25/55/427522555.db2.gz DFUCMPUQAUGLAB-HNNXBMFYSA-N 1 0 319.405 2.775 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000278994253 427524448 /nfs/dbraw/zinc/52/44/48/427524448.db2.gz FDCNHTOOHROYFH-LLVKDONJSA-N 1 0 314.345 2.799 20 5 DFBDRO CC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@@H](C)C1 ZINC000286478747 427537511 /nfs/dbraw/zinc/53/75/11/427537511.db2.gz WJDXIXYSBPVILF-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287177802 427555738 /nfs/dbraw/zinc/55/57/38/427555738.db2.gz CHUTXIOMTWPBJM-KGLIPLIRSA-N 1 0 317.389 2.600 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271444228 427541746 /nfs/dbraw/zinc/54/17/46/427541746.db2.gz DTMRMVLNIHVDLP-UKRRQHHQSA-N 1 0 305.378 2.645 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000279060287 427544278 /nfs/dbraw/zinc/54/42/78/427544278.db2.gz KTCZHBBGVXOXHQ-RYUDHWBXSA-N 1 0 318.295 2.830 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222203 427551293 /nfs/dbraw/zinc/55/12/93/427551293.db2.gz AUAMIMDCPDHDLY-UONOGXRCSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H]([NH2+][C@@H](C)[C@H](O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294302100 427615177 /nfs/dbraw/zinc/61/51/77/427615177.db2.gz NKQDPLPTZBVIFJ-PRXAMGSTSA-N 1 0 315.373 2.950 20 5 DFBDRO CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000279258018 427617456 /nfs/dbraw/zinc/61/74/56/427617456.db2.gz URWXLOJVBZGOIW-DUVNUKRYSA-N 1 0 319.405 2.892 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000332247599 427557514 /nfs/dbraw/zinc/55/75/14/427557514.db2.gz BOOTVTGMJUNYAI-CYBMUJFWSA-N 1 0 318.352 2.847 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332290756 427570533 /nfs/dbraw/zinc/57/05/33/427570533.db2.gz JIZYLFLQKZNXJB-WCQYABFASA-N 1 0 301.350 2.654 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]Cc2c[nH]nc2C)cc1[N+](=O)[O-] ZINC000271533336 427574333 /nfs/dbraw/zinc/57/43/33/427574333.db2.gz SGFBCISZOYWAOL-SNVBAGLBSA-N 1 0 304.350 2.876 20 5 DFBDRO CC(C)[C@@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000185015676 427578258 /nfs/dbraw/zinc/57/82/58/427578258.db2.gz OHGDYTOSEBPFHH-KRWDZBQOSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000294217495 427588115 /nfs/dbraw/zinc/58/81/15/427588115.db2.gz MTOHYHXQQXKHDM-BETUJISGSA-N 1 0 320.393 2.768 20 5 DFBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000279204357 427594998 /nfs/dbraw/zinc/59/49/98/427594998.db2.gz GJPROBARONTEMR-GWCFXTLKSA-N 1 0 302.334 2.923 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000263992638 427625627 /nfs/dbraw/zinc/62/56/27/427625627.db2.gz DHGWEXFZYZNKMF-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000298485350 427626932 /nfs/dbraw/zinc/62/69/32/427626932.db2.gz GYMVGEVCNOEOST-CHWSQXEVSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000298494260 427630483 /nfs/dbraw/zinc/63/04/83/427630483.db2.gz LHARXVJHGIXTNT-GHMZBOCLSA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@@H]1C[N@H+](CCCNc2c(F)cccc2[N+](=O)[O-])CCCO1 ZINC000287539274 427630915 /nfs/dbraw/zinc/63/09/15/427630915.db2.gz BLXQTCMEXOUXMI-GFCCVEGCSA-N 1 0 311.357 2.647 20 5 DFBDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192943270 427639147 /nfs/dbraw/zinc/63/91/47/427639147.db2.gz HAYQUSVDDBGDPY-XGWLTEMNSA-N 1 0 320.389 2.756 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCO[C@@H]1CCOC1)CCC2 ZINC000192951982 427640230 /nfs/dbraw/zinc/64/02/30/427640230.db2.gz VMRIKBIGFFYWPF-WBVHZDCISA-N 1 0 320.389 2.757 20 5 DFBDRO COc1ccc(C[N@H+](C)[C@@H](CO)c2ccccc2)cc1[N+](=O)[O-] ZINC000264049247 427644513 /nfs/dbraw/zinc/64/45/13/427644513.db2.gz UTOMLRSYUZMWIQ-INIZCTEOSA-N 1 0 316.357 2.769 20 5 DFBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000279375458 427656021 /nfs/dbraw/zinc/65/60/21/427656021.db2.gz XKZUMOHTCLIMCQ-SWLSCSKDSA-N 1 0 305.378 2.726 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC[C@@H]3C[NH+]3CCCC3)nc2c1 ZINC000294841599 427659441 /nfs/dbraw/zinc/65/94/41/427659441.db2.gz BLVLXLYDWLRTNM-CYBMUJFWSA-N 1 0 315.377 2.536 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342650504 272036358 /nfs/dbraw/zinc/03/63/58/272036358.db2.gz KZLFISINJUPDLP-UGFHNGPFSA-N 1 0 305.378 2.550 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]([NH+](C)C)CC1 ZINC000287682920 427669212 /nfs/dbraw/zinc/66/92/12/427669212.db2.gz JNHKHNNZTHJPOA-CYBMUJFWSA-N 1 0 305.378 2.718 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342907184 272066044 /nfs/dbraw/zinc/06/60/44/272066044.db2.gz NVVVTBAQNMFRDD-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCOCC1 ZINC000343386712 272134015 /nfs/dbraw/zinc/13/40/15/272134015.db2.gz CAIZUWMFCOLULC-HNNXBMFYSA-N 1 0 308.378 2.898 20 5 DFBDRO C[C@@H]1CCCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529684 272165394 /nfs/dbraw/zinc/16/53/94/272165394.db2.gz ASASMVYUYPKCOT-ZIAGYGMSSA-N 1 0 308.378 2.599 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000343557039 272169765 /nfs/dbraw/zinc/16/97/65/272169765.db2.gz SQWVLAGVVLJHLN-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000343558844 272170684 /nfs/dbraw/zinc/17/06/84/272170684.db2.gz CQIDEPSYNQRPQJ-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619042 427679840 /nfs/dbraw/zinc/67/98/40/427679840.db2.gz AKTZNIRZTRNZQB-IUODEOHRSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616511 427680105 /nfs/dbraw/zinc/68/01/05/427680105.db2.gz JPHJTURZQUMBFP-SMDDNHRTSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000343907498 272234986 /nfs/dbraw/zinc/23/49/86/272234986.db2.gz AGSPTVXTRJWFRY-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344011149 272249268 /nfs/dbraw/zinc/24/92/68/272249268.db2.gz SDMYYEQJEGTKLJ-JSGCOSHPSA-N 1 0 317.389 2.962 20 5 DFBDRO C[C@H]1C[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000344081409 272259014 /nfs/dbraw/zinc/25/90/14/272259014.db2.gz ZXKWGUUWTCVSJP-CYBMUJFWSA-N 1 0 319.405 2.926 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000344179669 272281582 /nfs/dbraw/zinc/28/15/82/272281582.db2.gz OBWDOXCEFXPDFX-GFCCVEGCSA-N 1 0 323.368 2.586 20 5 DFBDRO COc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000344601930 272345504 /nfs/dbraw/zinc/34/55/04/272345504.db2.gz KZIILZTXGLEDSR-UHFFFAOYSA-N 1 0 308.378 2.778 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344682910 272356133 /nfs/dbraw/zinc/35/61/33/272356133.db2.gz OZQANBDDIXOKIZ-OAHLLOKOSA-N 1 0 319.405 2.753 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)COCC(C)C ZINC000344788930 272369439 /nfs/dbraw/zinc/36/94/39/272369439.db2.gz GTDYWJHLOQPGHD-VRXKTSEUSA-N 1 0 322.405 2.621 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000193863594 427721453 /nfs/dbraw/zinc/72/14/53/427721453.db2.gz OLVSANGKIAAOFY-ZDUSSCGKSA-N 1 0 316.361 2.576 20 5 DFBDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344796484 272371053 /nfs/dbraw/zinc/37/10/53/272371053.db2.gz OQQFYRYNCIEKFV-IEWAYXNBSA-N 1 0 317.389 2.502 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000344910202 272384227 /nfs/dbraw/zinc/38/42/27/272384227.db2.gz FDJNJFJULVZXDY-YPMHNXCESA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000344910198 272384637 /nfs/dbraw/zinc/38/46/37/272384637.db2.gz FDJNJFJULVZXDY-DGCLKSJQSA-N 1 0 306.366 2.507 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)[S@@](C)=O ZINC000345042800 272397533 /nfs/dbraw/zinc/39/75/33/272397533.db2.gz BOZWTLYJIBVLMN-BORJZKGVSA-N 1 0 310.419 2.745 20 5 DFBDRO Cc1nc(N[C@@H](C)C[N@H+](C)Cc2ccccc2)ncc1[N+](=O)[O-] ZINC000295097316 427691667 /nfs/dbraw/zinc/69/16/67/427691667.db2.gz SWKVHOHAHSQKMB-LBPRGKRZSA-N 1 0 315.377 2.626 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@H](c3cccnc3)C2)cc1 ZINC000295112033 427697008 /nfs/dbraw/zinc/69/70/08/427697008.db2.gz WEYLVUBJPDPGRH-RDJZCZTQSA-N 1 0 313.357 3.000 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000185777838 427703495 /nfs/dbraw/zinc/70/34/95/427703495.db2.gz ZMHZVCKKVCORJZ-SICOMBFOSA-N 1 0 317.389 2.551 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000185795592 427708136 /nfs/dbraw/zinc/70/81/36/427708136.db2.gz LIAKZNZTJJQQFP-XSNHNAGMSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(Cc3ccccc3)CCCC2)n1 ZINC000185830091 427713884 /nfs/dbraw/zinc/71/38/84/427713884.db2.gz LXQHJSKGOJKCRJ-UHFFFAOYSA-N 1 0 314.389 2.936 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287937892 427717974 /nfs/dbraw/zinc/71/79/74/427717974.db2.gz RHQNEWKMQUVBQD-KOLCDFICSA-N 1 0 321.406 2.740 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N1CCN(Cc2ccco2)CC1 ZINC000299157176 427757415 /nfs/dbraw/zinc/75/74/15/427757415.db2.gz PIKUVRBWVZHKQL-UHFFFAOYSA-N 1 0 305.309 2.649 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)CC1 ZINC000299247817 427763730 /nfs/dbraw/zinc/76/37/30/427763730.db2.gz YRGSEOSLUCTDPZ-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000301069980 427773273 /nfs/dbraw/zinc/77/32/73/427773273.db2.gz FNFVTYGJMRWMFD-MNOVXSKESA-N 1 0 323.422 2.836 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccnc(N(C)C)c1 ZINC000301363494 427791276 /nfs/dbraw/zinc/79/12/76/427791276.db2.gz RGXCWAHFIHWLNT-UHFFFAOYSA-N 1 0 316.361 2.814 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000334042713 427733110 /nfs/dbraw/zinc/73/31/10/427733110.db2.gz WXIGZJPFZDHZAK-MNOVXSKESA-N 1 0 323.418 2.529 20 5 DFBDRO CSc1cccc(C(=O)N[C@H]2CC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000334076677 427736363 /nfs/dbraw/zinc/73/63/63/427736363.db2.gz QOFBNZPCDGVMOR-QWRGUYRKSA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1cc(NCC[N@@H+](C)Cc2ccc(F)cc2)ncc1[N+](=O)[O-] ZINC000301522815 427802832 /nfs/dbraw/zinc/80/28/32/427802832.db2.gz HPNLSOVYLNLBAY-UHFFFAOYSA-N 1 0 318.352 2.981 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339704943 427815983 /nfs/dbraw/zinc/81/59/83/427815983.db2.gz SFCCCVQOMWRXEP-QGZVFWFLSA-N 1 0 322.405 2.834 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000301721085 427819373 /nfs/dbraw/zinc/81/93/73/427819373.db2.gz QFNZMPJWEYCKMF-SMDDNHRTSA-N 1 0 323.368 2.663 20 5 DFBDRO COc1cc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000339826597 427841137 /nfs/dbraw/zinc/84/11/37/427841137.db2.gz NEARWHZZPYCSHT-MRXNPFEDSA-N 1 0 308.378 2.850 20 5 DFBDRO CN(Cc1cc2ccccc2o1)Cc1c([N+](=O)[O-])ncn1C ZINC000355736978 427868735 /nfs/dbraw/zinc/86/87/35/427868735.db2.gz PUQBSZYPXITMKN-UHFFFAOYSA-N 1 0 300.318 2.707 20 5 DFBDRO CC[N@H+](Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000355740831 427870206 /nfs/dbraw/zinc/87/02/06/427870206.db2.gz HEGXQVAMXHITOO-UHFFFAOYSA-N 1 0 322.361 2.521 20 5 DFBDRO COC(=O)COc1ccc(C[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000355756208 427876918 /nfs/dbraw/zinc/87/69/18/427876918.db2.gz KYVUSFZWKHTKQP-UHFFFAOYSA-N 1 0 322.361 2.521 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000340560413 427881476 /nfs/dbraw/zinc/88/14/76/427881476.db2.gz LWHIGGFOBLBIGK-NSHDSACASA-N 1 0 313.348 2.647 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302876086 427883985 /nfs/dbraw/zinc/88/39/85/427883985.db2.gz FWMNEXXAENJNBL-CYBMUJFWSA-N 1 0 318.421 2.873 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000355784247 427893069 /nfs/dbraw/zinc/89/30/69/427893069.db2.gz IOQFNKUMOZEDQD-ORIJERBGSA-N 1 0 322.405 2.701 20 5 DFBDRO C[C@@H]1C[C@H](C(=O)NC(C)(C)c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000345769768 427896665 /nfs/dbraw/zinc/89/66/65/427896665.db2.gz CXXGOKBMHXQDKG-CHWSQXEVSA-N 1 0 319.405 2.676 20 5 DFBDRO C[NH2+][C@H]1CCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346638130 272662640 /nfs/dbraw/zinc/66/26/40/272662640.db2.gz JCMVSBCUIHGRDO-ZDUSSCGKSA-N 1 0 301.346 2.649 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000349961368 427907134 /nfs/dbraw/zinc/90/71/34/427907134.db2.gz GPSLRICKTXYKAJ-OLZOCXBDSA-N 1 0 318.295 2.791 20 5 DFBDRO Cc1c(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000349970113 427911154 /nfs/dbraw/zinc/91/11/54/427911154.db2.gz QDPQPUJXKRDZDG-NSHDSACASA-N 1 0 308.382 2.753 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH+](CC)CC1 ZINC000349973694 427912155 /nfs/dbraw/zinc/91/21/55/427912155.db2.gz OQQYVSHFACUYIJ-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)cc1 ZINC000340644761 427916244 /nfs/dbraw/zinc/91/62/44/427916244.db2.gz APWULWXRHPVKLL-UHFFFAOYSA-N 1 0 307.269 2.960 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000304094732 427917731 /nfs/dbraw/zinc/91/77/31/427917731.db2.gz DOTGTMDRTYLLAO-ZFWWWQNUSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)[C@H](O)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000304253831 427922377 /nfs/dbraw/zinc/92/23/77/427922377.db2.gz YUARQJHGWBIKCT-CQSZACIVSA-N 1 0 321.402 2.825 20 5 DFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000345827126 427923323 /nfs/dbraw/zinc/92/33/23/427923323.db2.gz HAOAJRSUAICYTO-PDCNKGEESA-N 1 0 318.295 2.899 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000337478232 427924967 /nfs/dbraw/zinc/92/49/67/427924967.db2.gz UDXZLFMDNPJXJL-DGCLKSJQSA-N 1 0 321.377 2.710 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4ncccc34)[C@@H]2C1 ZINC000413226090 427995185 /nfs/dbraw/zinc/99/51/85/427995185.db2.gz CWFWVCCYLWAMST-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO CN(CC[N@H+](C)C1CC1)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413228874 427995280 /nfs/dbraw/zinc/99/52/80/427995280.db2.gz KPZIVGHOCGNEHK-UHFFFAOYSA-N 1 0 318.299 2.539 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2nccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176662 427980794 /nfs/dbraw/zinc/98/07/94/427980794.db2.gz UWPFHPYHTYWBPR-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000413195218 427988487 /nfs/dbraw/zinc/98/84/87/427988487.db2.gz CJUDKBUOHRQSQW-XHDPSFHLSA-N 1 0 320.368 2.582 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413217736 427994063 /nfs/dbraw/zinc/99/40/63/427994063.db2.gz DHSFJQKSHLXSQF-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000345908556 427947946 /nfs/dbraw/zinc/94/79/46/427947946.db2.gz OEHNONVVNCTFHZ-UHFFFAOYSA-N 1 0 322.409 2.650 20 5 DFBDRO Cc1cc(-c2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)cc([N+](=O)[O-])c1 ZINC000351143914 428021072 /nfs/dbraw/zinc/02/10/72/428021072.db2.gz HINHKGPNLAUVTK-ZWNOBZJWSA-N 1 0 302.334 2.618 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000359808727 428026636 /nfs/dbraw/zinc/02/66/36/428026636.db2.gz ZSNVSDVWNLZOJH-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000377054494 428049108 /nfs/dbraw/zinc/04/91/08/428049108.db2.gz ADFDWGJZRQHFHB-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1cc(N2CCO[C@@H](CF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000413467726 428055764 /nfs/dbraw/zinc/05/57/64/428055764.db2.gz AOJCIIVKUJNRJX-LBPRGKRZSA-N 1 0 305.309 2.626 20 5 DFBDRO Cc1c(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000369766435 428056309 /nfs/dbraw/zinc/05/63/09/428056309.db2.gz LRKNOXJSVPNVFC-SJORKVTESA-N 1 0 303.406 2.962 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000369768895 428057164 /nfs/dbraw/zinc/05/71/64/428057164.db2.gz YKBWZAGHDIUZLH-HZPDHXFCSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@@H+]1C ZINC000413240336 428000239 /nfs/dbraw/zinc/00/02/39/428000239.db2.gz JPAPIDQIMIKEMK-LDYMZIIASA-N 1 0 318.299 2.903 20 5 DFBDRO C[C@@H]1[C@@H](Nc2ncc([N+](=O)[O-])cc2C(F)(F)F)CCC[N@@H+]1C ZINC000413240323 428001023 /nfs/dbraw/zinc/00/10/23/428001023.db2.gz JPAPIDQIMIKEMK-KCJUWKMLSA-N 1 0 318.299 2.903 20 5 DFBDRO [NH3+][C@@H]1CCCN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346094132 428017793 /nfs/dbraw/zinc/01/77/93/428017793.db2.gz NJNPHYWGNIUGBS-CYBMUJFWSA-N 1 0 301.346 2.778 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000359909981 428073253 /nfs/dbraw/zinc/07/32/53/428073253.db2.gz ZMWUUBWSXIAIGF-BBRMVZONSA-N 1 0 319.405 2.520 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cn2)CC[N@@H+]1Cc1ccccc1 ZINC000413533312 428073345 /nfs/dbraw/zinc/07/33/45/428073345.db2.gz PMIDKNLRLAYBEH-CQSZACIVSA-N 1 0 312.373 2.701 20 5 DFBDRO COC(=O)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000346229096 428080580 /nfs/dbraw/zinc/08/05/80/428080580.db2.gz NNLFZUDLMKSAJX-UHFFFAOYSA-N 1 0 306.362 2.678 20 5 DFBDRO CC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413564753 428080852 /nfs/dbraw/zinc/08/08/52/428080852.db2.gz GAMHOWQDTPTUGX-SNVBAGLBSA-N 1 0 301.293 2.702 20 5 DFBDRO CC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])c(OC(F)F)c2)C1 ZINC000413564751 428081092 /nfs/dbraw/zinc/08/10/92/428081092.db2.gz GAMHOWQDTPTUGX-JTQLQIEISA-N 1 0 301.293 2.702 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000356249679 428087362 /nfs/dbraw/zinc/08/73/62/428087362.db2.gz HBOZEZAZHKYSMU-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](C(=O)N(Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000346271418 428101966 /nfs/dbraw/zinc/10/19/66/428101966.db2.gz DPRKGUOGILUJFF-JSGCOSHPSA-N 1 0 317.389 2.603 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C2CC2)C1 ZINC000346291843 428110595 /nfs/dbraw/zinc/11/05/95/428110595.db2.gz QWXFROZNLVMUEN-UONOGXRCSA-N 1 0 317.389 2.603 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000360013378 428117977 /nfs/dbraw/zinc/11/79/77/428117977.db2.gz GDCZWDILOGAYON-OLZOCXBDSA-N 1 0 300.362 2.765 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000370046867 428119916 /nfs/dbraw/zinc/11/99/16/428119916.db2.gz UNGJODPKFWQAQM-CYBMUJFWSA-N 1 0 318.352 2.532 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000370046868 428120809 /nfs/dbraw/zinc/12/08/09/428120809.db2.gz UNGJODPKFWQAQM-ZDUSSCGKSA-N 1 0 318.352 2.532 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3cc([N+](=O)[O-])ccc3Cl)C[C@@H]21 ZINC000370082694 428130574 /nfs/dbraw/zinc/13/05/74/428130574.db2.gz OTTNIDQERPUANL-NHYWBVRUSA-N 1 0 309.797 2.774 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352544426 428145886 /nfs/dbraw/zinc/14/58/86/428145886.db2.gz ALVMRMZRQGEFDQ-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535058 428139864 /nfs/dbraw/zinc/13/98/64/428139864.db2.gz LWYWHGRFMJJCIN-ZFWWWQNUSA-N 1 0 321.421 2.908 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cnc2ccccn12 ZINC000352562913 428149064 /nfs/dbraw/zinc/14/90/64/428149064.db2.gz NEBFCAIQXCPXRG-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1c(F)ccc(O)c1F ZINC000352633105 428176185 /nfs/dbraw/zinc/17/61/85/428176185.db2.gz KSQXCYYBZMAHCP-UHFFFAOYSA-N 1 0 308.284 2.911 20 5 DFBDRO Cc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1[N+](=O)[O-] ZINC000377825839 428237910 /nfs/dbraw/zinc/23/79/10/428237910.db2.gz GGVPOHDDNPXLTL-AWEZNQCLSA-N 1 0 300.362 2.626 20 5 DFBDRO CCc1ccc(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)cn1 ZINC000352773459 428240092 /nfs/dbraw/zinc/24/00/92/428240092.db2.gz TUHUQZLDQNLRSY-UHFFFAOYSA-N 1 0 301.346 2.851 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000346490661 428194121 /nfs/dbraw/zinc/19/41/21/428194121.db2.gz SZBGCQVAWHZDTP-CHWSQXEVSA-N 1 0 320.393 2.850 20 5 DFBDRO C[C@H]1C[C@H](c2ccsc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000377950024 428269539 /nfs/dbraw/zinc/26/95/39/428269539.db2.gz UQPKRWVOYGIJCL-AAEUAGOBSA-N 1 0 306.391 2.731 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@H](C)[N@H+](C)C1CC1 ZINC000342053711 428287578 /nfs/dbraw/zinc/28/75/78/428287578.db2.gz IEHIFMKHXJIIHZ-NSHDSACASA-N 1 0 321.377 2.584 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877746 428291917 /nfs/dbraw/zinc/29/19/17/428291917.db2.gz QIIINPFITINFNY-YPMHNXCESA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000414435046 428293828 /nfs/dbraw/zinc/29/38/28/428293828.db2.gz RDEKQIWKEZOZJD-UHFFFAOYSA-N 1 0 306.753 2.679 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000352884264 428296234 /nfs/dbraw/zinc/29/62/34/428296234.db2.gz RORDGAXOKUZWJD-CHWSQXEVSA-N 1 0 320.393 2.850 20 5 DFBDRO CS[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+](C)C ZINC000352776978 428243578 /nfs/dbraw/zinc/24/35/78/428243578.db2.gz FINULYWTLLYHEN-UHOFOFEASA-N 1 0 323.462 2.942 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]1CCCC2 ZINC000342113373 428305308 /nfs/dbraw/zinc/30/53/08/428305308.db2.gz GTYLQEPIKJXWAK-WMLDXEAASA-N 1 0 318.373 2.760 20 5 DFBDRO CC1CC[NH+](CCNc2c3c(ccc2[N+](=O)[O-])NCC3)CC1 ZINC000302440722 273599245 /nfs/dbraw/zinc/59/92/45/273599245.db2.gz NATKZNATOLJTOP-UHFFFAOYSA-N 1 0 304.394 2.707 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]1CCCC2 ZINC000342149070 428323922 /nfs/dbraw/zinc/32/39/22/428323922.db2.gz HRGDICAJMWPYFN-YOEHRIQHSA-N 1 0 318.373 2.760 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000356828050 428326485 /nfs/dbraw/zinc/32/64/85/428326485.db2.gz WHBJPDSPZWSWMC-NSHDSACASA-N 1 0 318.377 2.535 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414520851 428327093 /nfs/dbraw/zinc/32/70/93/428327093.db2.gz DHVIUFTXRHRVEO-OAHLLOKOSA-N 1 0 318.348 2.908 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000346808859 428327494 /nfs/dbraw/zinc/32/74/94/428327494.db2.gz OGVASHDIQATAFL-IJEWVQPXSA-N 1 0 305.422 2.988 20 5 DFBDRO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1csc([N+](=O)[O-])c1 ZINC000378188937 428328133 /nfs/dbraw/zinc/32/81/33/428328133.db2.gz WARZSTNSFZKBKU-UHFFFAOYSA-N 1 0 317.370 2.708 20 5 DFBDRO COC(=O)[C@@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1CCCC2 ZINC000342156910 428328415 /nfs/dbraw/zinc/32/84/15/428328415.db2.gz PVKIVDGHCCVTCH-DOMZBBRYSA-N 1 0 324.402 2.822 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](C)CC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000414531453 428329360 /nfs/dbraw/zinc/32/93/60/428329360.db2.gz TWETUHDIJHTQLO-MRVPVSSYSA-N 1 0 322.283 2.987 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000353020044 428355933 /nfs/dbraw/zinc/35/59/33/428355933.db2.gz NSSJDPXNVAVMKS-GXTWGEPZSA-N 1 0 319.405 2.931 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC(F)(F)[C@@H]2O)c(Cl)c1 ZINC000414541026 428333716 /nfs/dbraw/zinc/33/37/16/428333716.db2.gz VNXZPBUOOVSUDR-NWDGAFQWSA-N 1 0 320.723 2.887 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000342173972 428335202 /nfs/dbraw/zinc/33/52/02/428335202.db2.gz CUBWIGPKIFGPFL-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225049 428339992 /nfs/dbraw/zinc/33/99/92/428339992.db2.gz KRYVRIDLOZLKBO-NWDGAFQWSA-N 1 0 323.418 2.569 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000378225050 428341377 /nfs/dbraw/zinc/34/13/77/428341377.db2.gz KRYVRIDLOZLKBO-RYUDHWBXSA-N 1 0 323.418 2.569 20 5 DFBDRO CC(C)c1ccc(C[NH2+][C@H](CO)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000414567395 428343649 /nfs/dbraw/zinc/34/36/49/428343649.db2.gz YBLFCLHHFNSPDU-GOEBONIOSA-N 1 0 322.405 2.595 20 5 DFBDRO Cc1c(Cc2nc(C3([NH3+])CCCC3)no2)cccc1[N+](=O)[O-] ZINC000414612308 428356302 /nfs/dbraw/zinc/35/63/02/428356302.db2.gz DMSKOHFZZIWQML-UHFFFAOYSA-N 1 0 302.334 2.605 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000163175351 273640148 /nfs/dbraw/zinc/64/01/48/273640148.db2.gz YKOQWHYNWLRSDC-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000352889396 428299394 /nfs/dbraw/zinc/29/93/94/428299394.db2.gz YLQHKXYHHFZLPP-GJZGRUSLSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000353135925 428397185 /nfs/dbraw/zinc/39/71/85/428397185.db2.gz KCHXKLQHBKTUCA-IAQYHMDHSA-N 1 0 300.362 2.883 20 5 DFBDRO CC1(C)C[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC(C)(C)C1 ZINC000342335680 428407261 /nfs/dbraw/zinc/40/72/61/428407261.db2.gz HUYYRVOLOFZDIQ-UHFFFAOYSA-N 1 0 307.394 2.515 20 5 DFBDRO CC[NH2+]CC1CCN(c2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000261626152 273685048 /nfs/dbraw/zinc/68/50/48/273685048.db2.gz COJRNNHWYXPEKO-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000353026844 428359180 /nfs/dbraw/zinc/35/91/80/428359180.db2.gz LPSOMBAQXYVWPW-NSHDSACASA-N 1 0 300.305 2.964 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@@H](COC(F)F)C2)cccc1[N+](=O)[O-] ZINC000353026838 428359461 /nfs/dbraw/zinc/35/94/61/428359461.db2.gz LPSOMBAQXYVWPW-LLVKDONJSA-N 1 0 300.305 2.964 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](COC(F)F)C2)cc1[N+](=O)[O-] ZINC000353030057 428362323 /nfs/dbraw/zinc/36/23/23/428362323.db2.gz RPDBSNICXMYNNE-LLVKDONJSA-N 1 0 316.304 2.665 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000414645681 428364078 /nfs/dbraw/zinc/36/40/78/428364078.db2.gz OEGRMQCVBOZNTE-HIJJYWJESA-N 1 0 302.334 2.689 20 5 DFBDRO Cc1ccc(NC(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414658678 428367258 /nfs/dbraw/zinc/36/72/58/428367258.db2.gz LVYIDXXWBAAYGQ-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000353048608 428368490 /nfs/dbraw/zinc/36/84/90/428368490.db2.gz VJNITKNFMVXHTB-SMDDNHRTSA-N 1 0 311.813 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000414669192 428369498 /nfs/dbraw/zinc/36/94/98/428369498.db2.gz ZJKIGWYKMIMEMJ-HNNXBMFYSA-N 1 0 320.393 2.932 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000378346534 428369635 /nfs/dbraw/zinc/36/96/35/428369635.db2.gz FTTFDRDAWJWRCF-GFCCVEGCSA-N 1 0 306.362 2.844 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)[C@@]12CCCO2 ZINC000353053286 428369772 /nfs/dbraw/zinc/36/97/72/428369772.db2.gz SXVQXCNTZUIXKB-ZFVVBOAOSA-N 1 0 320.389 2.972 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)c([N+](=O)[O-])cc1OC ZINC000378346536 428371873 /nfs/dbraw/zinc/37/18/73/428371873.db2.gz FTTFDRDAWJWRCF-LBPRGKRZSA-N 1 0 306.362 2.844 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073758 428434980 /nfs/dbraw/zinc/43/49/80/428434980.db2.gz SLWJHOVUCGKPBM-MZBDJJRSSA-N 1 0 319.405 2.708 20 5 DFBDRO CC[N@H+](CCNc1ccc2cc([N+](=O)[O-])ccc2n1)C(C)C ZINC000357269198 428462210 /nfs/dbraw/zinc/46/22/10/428462210.db2.gz ZJDMKEJOZHSQOF-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DFBDRO COc1ccc(-c2ccc(CNCC(C)(C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414809227 428418721 /nfs/dbraw/zinc/41/87/21/428418721.db2.gz VDPWYCVNSULDBC-UHFFFAOYSA-N 1 0 319.361 2.690 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000378523800 428421049 /nfs/dbraw/zinc/42/10/49/428421049.db2.gz XKCGGKHYXGZBNB-QGZVFWFLSA-N 1 0 316.332 2.827 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000360961109 428510887 /nfs/dbraw/zinc/51/08/87/428510887.db2.gz ORQJSUFEUKSLQO-RWMBFGLXSA-N 1 0 323.441 2.898 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000347284338 428529198 /nfs/dbraw/zinc/52/91/98/428529198.db2.gz YQJHWCATRYUKOT-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO CO[C@](C)(C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000361010659 428529961 /nfs/dbraw/zinc/52/99/61/428529961.db2.gz QKOYDRQJCOSVNV-IJEWVQPXSA-N 1 0 322.409 2.680 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1cccc([N+](=O)[O-])c1 ZINC000391525457 428477866 /nfs/dbraw/zinc/47/78/66/428477866.db2.gz FULSXPWIEKSWSE-ZFWWWQNUSA-N 1 0 305.378 2.646 20 5 DFBDRO CC[C@H]1CN(Cc2ccc(C)c([N+](=O)[O-])c2)C[C@]2(CCOC2)O1 ZINC000373468233 428585449 /nfs/dbraw/zinc/58/54/49/428585449.db2.gz USPRXPVWCKFPRI-RDJZCZTQSA-N 1 0 320.389 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000415480550 428587684 /nfs/dbraw/zinc/58/76/84/428587684.db2.gz HONPJZBAOXUTMT-ZDUSSCGKSA-N 1 0 308.382 2.707 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CCC2)CC1 ZINC000353460480 428549031 /nfs/dbraw/zinc/54/90/31/428549031.db2.gz CDDRTSWACJHMHU-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CC[N@H+](CCC(=O)OC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347331515 428550546 /nfs/dbraw/zinc/55/05/46/428550546.db2.gz FKDSMBCLKCSYPN-RAXLEYEMSA-N 1 0 306.362 2.883 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)CCCC[NH3+] ZINC000415298439 428564190 /nfs/dbraw/zinc/56/41/90/428564190.db2.gz OYNASWVFLYYLKA-LLVKDONJSA-N 1 0 308.382 2.851 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000347375800 428566561 /nfs/dbraw/zinc/56/65/61/428566561.db2.gz SAGSPVHEJPJLMX-NRUITVPNSA-N 1 0 317.389 2.586 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(CC(N)=O)CC1 ZINC000347374914 428566840 /nfs/dbraw/zinc/56/68/40/428566840.db2.gz YELVQZTXNKFOJL-LCYFTJDESA-N 1 0 317.389 2.586 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@H]1OC ZINC000347375167 428567613 /nfs/dbraw/zinc/56/76/13/428567613.db2.gz NWOOWXWJMKINSL-NEMXOLRWSA-N 1 0 320.389 2.780 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000361591492 428577838 /nfs/dbraw/zinc/57/78/38/428577838.db2.gz NPRBUCHOUBPSJR-NEPJUHHUSA-N 1 0 320.315 2.844 20 5 DFBDRO Cc1cc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000415411145 428578677 /nfs/dbraw/zinc/57/86/77/428578677.db2.gz ASLVBZPYPWNVAU-HNNXBMFYSA-N 1 0 308.382 2.788 20 5 DFBDRO Cc1cc(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1[N+](=O)[O-] ZINC000415420159 428580044 /nfs/dbraw/zinc/58/00/44/428580044.db2.gz SJFVBGIDPJGBKA-ZDUSSCGKSA-N 1 0 308.382 2.740 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c([N+](=O)[O-])c1 ZINC000373530165 428598706 /nfs/dbraw/zinc/59/87/06/428598706.db2.gz OTWVLFBUOVCAHM-OCCSQVGLSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000353611537 428621412 /nfs/dbraw/zinc/62/14/12/428621412.db2.gz YWAWDFGGUWKVGN-CYBMUJFWSA-N 1 0 315.373 2.991 20 5 DFBDRO COc1cc(N(C)CCC[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000358660015 428622512 /nfs/dbraw/zinc/62/25/12/428622512.db2.gz FUKCARYILFXXEP-UHFFFAOYSA-N 1 0 311.357 2.665 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC1CC[NH+](C2CCCCC2)CC1 ZINC000408301140 428636700 /nfs/dbraw/zinc/63/67/00/428636700.db2.gz OQABUPCWCRAXDA-UHFFFAOYSA-N 1 0 307.398 2.537 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@@H](C)[S@](=O)[C@@H](C)C1 ZINC000408352537 428647151 /nfs/dbraw/zinc/64/71/51/428647151.db2.gz RHLHQEGQOWIANK-XZXUEEQJSA-N 1 0 310.419 2.806 20 5 DFBDRO C[C@@H](CNc1ncnc2sc([N+](=O)[O-])cc21)C[NH+]1CCCC1 ZINC000286459616 274226151 /nfs/dbraw/zinc/22/61/51/274226151.db2.gz SFQCPVFSPGCTBA-JTQLQIEISA-N 1 0 321.406 2.743 20 5 DFBDRO COc1cc(N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000374153509 428665446 /nfs/dbraw/zinc/66/54/46/428665446.db2.gz JSKHNWBBJFRWGS-ZIAGYGMSSA-N 1 0 305.378 2.666 20 5 DFBDRO C[C@@H]1C[N@H+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C(C)(C)C1 ZINC000331712939 274346096 /nfs/dbraw/zinc/34/60/96/274346096.db2.gz GKEIUASEPHTVOB-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000362327297 428706239 /nfs/dbraw/zinc/70/62/39/428706239.db2.gz XUTFBVSBOHAUKI-SMDDNHRTSA-N 1 0 324.352 2.743 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](C1CC1)N(C)C ZINC000344842378 428713277 /nfs/dbraw/zinc/71/32/77/428713277.db2.gz BEUQXPNVXMULLJ-JZUUQJBKSA-N 1 0 303.406 2.928 20 5 DFBDRO Cc1noc([C@@H]2CC[N@H+](Cc3ccc(C)c([N+](=O)[O-])c3)C2)n1 ZINC000344864876 428714853 /nfs/dbraw/zinc/71/48/53/428714853.db2.gz LHMDWCPXYFAXDQ-CYBMUJFWSA-N 1 0 302.334 2.584 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2c[nH]c3ncccc23)cs1 ZINC000344881347 428717908 /nfs/dbraw/zinc/71/79/08/428717908.db2.gz HERQXGRJAMJVDN-UHFFFAOYSA-N 1 0 302.359 2.865 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])c(C)n1)c1ccco1 ZINC000348361054 428719628 /nfs/dbraw/zinc/71/96/28/428719628.db2.gz FPKUSPSGYARRAB-CQSZACIVSA-N 1 0 318.377 3.386 20 5 DFBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411217759 428762942 /nfs/dbraw/zinc/76/29/42/428762942.db2.gz MVVPDHXLVPTUAX-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348534103 428774083 /nfs/dbraw/zinc/77/40/83/428774083.db2.gz OXIDTESGSSTQNM-CMPLNLGQSA-N 1 0 316.304 2.853 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2OC(F)F)cc1 ZINC000348535814 428774779 /nfs/dbraw/zinc/77/47/79/428774779.db2.gz RJOKOUPZIKJPLV-CHWSQXEVSA-N 1 0 316.304 2.724 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000359019704 428775772 /nfs/dbraw/zinc/77/57/72/428775772.db2.gz POBPDZNJTBZPHK-XQRVVYSFSA-N 1 0 316.313 2.777 20 5 DFBDRO Cc1cc(NCC[NH+]2CCCC2)c2cccc([N+](=O)[O-])c2n1 ZINC000345072918 428742928 /nfs/dbraw/zinc/74/29/28/428742928.db2.gz AVKBFZLFEQVOID-UHFFFAOYSA-N 1 0 300.362 2.959 20 5 DFBDRO C[N@@H+]1CCCC12CCN(c1ncc([N+](=O)[O-])cc1Cl)CC2 ZINC000374990174 428794394 /nfs/dbraw/zinc/79/43/94/428794394.db2.gz RZJIPBFKPXZNLC-UHFFFAOYSA-N 1 0 310.785 2.708 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+](C)C)n1 ZINC000359083424 428807876 /nfs/dbraw/zinc/80/78/76/428807876.db2.gz OJFVHKHPNLPLNT-LBPRGKRZSA-N 1 0 304.350 2.914 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1ccccc1[N+](=O)[O-] ZINC000354196662 428908587 /nfs/dbraw/zinc/90/85/87/428908587.db2.gz XDZWZXQPWPZKNI-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000417147690 428860437 /nfs/dbraw/zinc/86/04/37/428860437.db2.gz ZTUMMXLHDRDYNG-IUODEOHRSA-N 1 0 322.409 2.671 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000348880866 428867659 /nfs/dbraw/zinc/86/76/59/428867659.db2.gz WCEIYEOOHVQYQP-LLVKDONJSA-N 1 0 300.305 2.964 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000354203205 428914343 /nfs/dbraw/zinc/91/43/43/428914343.db2.gz ALQLZXFZAWHYLG-ZBFHGGJFSA-N 1 0 321.421 2.778 20 5 DFBDRO CO[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000363692817 428971119 /nfs/dbraw/zinc/97/11/19/428971119.db2.gz PYNDFVRKDVSVGE-LBPRGKRZSA-N 1 0 305.334 2.737 20 5 DFBDRO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)c3ccccc3[N+](=O)[O-])C2)[nH]1 ZINC000412048278 428924443 /nfs/dbraw/zinc/92/44/43/428924443.db2.gz WLCIVIPAVSGILM-PWSUYJOCSA-N 1 0 301.350 2.572 20 5 DFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H](O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000412051626 428929296 /nfs/dbraw/zinc/92/92/96/428929296.db2.gz WUSVUQHVGLXNIU-RRFJBIMHSA-N 1 0 320.389 2.586 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000301273036 274724317 /nfs/dbraw/zinc/72/43/17/274724317.db2.gz IDWOZXIKOHLPNS-UHFFFAOYSA-N 1 0 318.421 2.999 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000345574937 428941472 /nfs/dbraw/zinc/94/14/72/428941472.db2.gz PTLDQJMMIMCIHI-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO COc1cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)ccc1[N+](=O)[O-] ZINC000349252922 428949195 /nfs/dbraw/zinc/94/91/95/428949195.db2.gz VQUYGXCPYDZEFS-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000375737804 428956828 /nfs/dbraw/zinc/95/68/28/428956828.db2.gz GJOZKYKGFGZWET-AWEZNQCLSA-N 1 0 320.389 2.601 20 5 DFBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000349315007 428961334 /nfs/dbraw/zinc/96/13/34/428961334.db2.gz SCNBIKVKRLFKQP-MDUKQBBOSA-N 1 0 308.378 2.971 20 5 DFBDRO C[NH+](C)CCN(Cc1ccco1)Cc1ccc([N+](=O)[O-])cc1F ZINC000349334927 428964344 /nfs/dbraw/zinc/96/43/44/428964344.db2.gz UECMBPYTTNMRLR-UHFFFAOYSA-N 1 0 321.352 2.891 20 5 DFBDRO COCCOC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288328 429017618 /nfs/dbraw/zinc/01/76/18/429017618.db2.gz RILKBCDHMYZDLB-WBMJQRKESA-N 1 0 322.405 2.958 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)n1 ZINC000433323096 429025535 /nfs/dbraw/zinc/02/55/35/429025535.db2.gz ULSGZUMKHOMOBT-CYBMUJFWSA-N 1 0 320.780 2.934 20 5 DFBDRO Cc1cccc(N2CC[NH+]([C@@H]3CCSC3)CC2)c1[N+](=O)[O-] ZINC000372948682 274793880 /nfs/dbraw/zinc/79/38/80/274793880.db2.gz LYWLMAQMUFDNRB-CYBMUJFWSA-N 1 0 307.419 2.531 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)C[C@H](O)C(F)(F)F ZINC000349404155 428980483 /nfs/dbraw/zinc/98/04/83/428980483.db2.gz FIMBWTLRXZIWED-PPOCWRSBSA-N 1 0 318.295 2.853 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1cc2ccccc2c2cccnc12 ZINC000423656391 428990109 /nfs/dbraw/zinc/99/01/09/428990109.db2.gz WWTKIUNJMNUCCH-SJCJKPOMSA-N 1 0 305.381 2.950 20 5 DFBDRO COc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000423728686 429004994 /nfs/dbraw/zinc/00/49/94/429004994.db2.gz TUXPHIBDCDQZFC-CHWSQXEVSA-N 1 0 321.377 2.840 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000421678491 429008079 /nfs/dbraw/zinc/00/80/79/429008079.db2.gz ATDSMZKLCDJLIQ-UHFFFAOYSA-N 1 0 319.405 2.814 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000421854827 429040579 /nfs/dbraw/zinc/04/05/79/429040579.db2.gz LCMILUULKAFMGI-KBXIAJHMSA-N 1 0 322.409 2.822 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000421861996 429041126 /nfs/dbraw/zinc/04/11/26/429041126.db2.gz IOTIYSRAELHDQG-UHFFFAOYSA-N 1 0 317.389 2.593 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000376021023 429043328 /nfs/dbraw/zinc/04/33/28/429043328.db2.gz YXURPURIONGESL-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452113370 429061936 /nfs/dbraw/zinc/06/19/36/429061936.db2.gz HLUVWJXPVSBSQC-OAHLLOKOSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423361165 429071822 /nfs/dbraw/zinc/07/18/22/429071822.db2.gz MDHQDJZVDHPBRY-SGMGOOAPSA-N 1 0 307.394 2.642 20 5 DFBDRO C[NH2+]CCC1CCN(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000423497139 429100006 /nfs/dbraw/zinc/10/00/06/429100006.db2.gz YGCTWXVBYFGJRB-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO O=[N+]([O-])c1cnc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c(F)c1 ZINC000413025789 429124670 /nfs/dbraw/zinc/12/46/70/429124670.db2.gz HRUYNVFLAARPEK-ZDUSSCGKSA-N 1 0 316.336 2.815 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(NCCC[NH+]3CCCCC3)c2c1 ZINC000413027334 429125576 /nfs/dbraw/zinc/12/55/76/429125576.db2.gz AOZZUUGXGXGMTN-UHFFFAOYSA-N 1 0 314.389 3.431 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413085120 429135256 /nfs/dbraw/zinc/13/52/56/429135256.db2.gz OZZFGHAMZIVEQE-QMMMGPOBSA-N 1 0 304.272 2.515 20 5 DFBDRO CN(C(=O)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926380 429140698 /nfs/dbraw/zinc/14/06/98/429140698.db2.gz WAZQYKWJPSYIFF-BBRMVZONSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000364051473 429163021 /nfs/dbraw/zinc/16/30/21/429163021.db2.gz AVAQTMAMFXNPGE-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCCCC2)nc1 ZINC000368723833 275036262 /nfs/dbraw/zinc/03/62/62/275036262.db2.gz XQARDZWDYBCJRG-HNNXBMFYSA-N 1 0 304.394 2.835 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cccnc43)C[C@H]21 ZINC000364314189 429179243 /nfs/dbraw/zinc/17/92/43/429179243.db2.gz ZHVDEEGIPSIUMS-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO CC(C)[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000488574574 429186280 /nfs/dbraw/zinc/18/62/80/429186280.db2.gz RJHBGJIAEJDZAX-BQLWYNFJSA-N 1 0 303.406 2.880 20 5 DFBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364618817 429234583 /nfs/dbraw/zinc/23/45/83/429234583.db2.gz DRSGIZCZJHIHQQ-BZUAXINKSA-N 1 0 304.390 2.883 20 5 DFBDRO COc1ccc(-c2ccc(C[N@H+](C)CCCO)o2)c([N+](=O)[O-])c1 ZINC000442965908 429243017 /nfs/dbraw/zinc/24/30/17/429243017.db2.gz LVPSDWSXMTURFO-UHFFFAOYSA-N 1 0 320.345 2.678 20 5 DFBDRO CCC[N@H+](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000456173443 429253098 /nfs/dbraw/zinc/25/30/98/429253098.db2.gz GIQKPTBSGUDCLE-UHFFFAOYSA-N 1 0 308.382 2.695 20 5 DFBDRO CC(C)Nc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C(C)C ZINC000456188197 429254541 /nfs/dbraw/zinc/25/45/41/429254541.db2.gz NBEFYEVBVQWCIC-UHFFFAOYSA-N 1 0 308.382 2.694 20 5 DFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000443971204 429259966 /nfs/dbraw/zinc/25/99/66/429259966.db2.gz VLARJRKAJUIAGD-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO CC1(C)CCC[N@H+](CCNCc2ccc([N+](=O)[O-])cc2F)C1 ZINC000444013043 429261597 /nfs/dbraw/zinc/26/15/97/429261597.db2.gz WLUYUICHTJPIIQ-UHFFFAOYSA-N 1 0 309.385 2.946 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ncc(Cl)cc1[N+](=O)[O-] ZINC000364868624 429267167 /nfs/dbraw/zinc/26/71/67/429267167.db2.gz GUTKGXYQPYWZIY-CMPLNLGQSA-N 1 0 310.785 2.706 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@H](C)C1 ZINC000449084032 429327048 /nfs/dbraw/zinc/32/70/48/429327048.db2.gz WEMLQXUEVQAHBF-GJZGRUSLSA-N 1 0 305.422 2.847 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCCC23CCCC3)c1 ZINC000365518516 429332325 /nfs/dbraw/zinc/33/23/25/429332325.db2.gz VVXRWAPCTXLPFQ-HNNXBMFYSA-N 1 0 320.389 2.743 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000457084633 429396354 /nfs/dbraw/zinc/39/63/54/429396354.db2.gz ZCVVLRPKMAQVIP-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])c1 ZINC000426488702 429398212 /nfs/dbraw/zinc/39/82/12/429398212.db2.gz XJMRKAQZQJRMEK-OCCSQVGLSA-N 1 0 306.362 2.857 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000449188008 429352644 /nfs/dbraw/zinc/35/26/44/429352644.db2.gz FLJTXRLAJQKCJH-WOSRLPQWSA-N 1 0 303.406 2.598 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N(C)C)n1 ZINC000449204747 429358267 /nfs/dbraw/zinc/35/82/67/429358267.db2.gz JIHWGIXGRYHUHH-CYBMUJFWSA-N 1 0 314.389 2.777 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449239205 429365514 /nfs/dbraw/zinc/36/55/14/429365514.db2.gz IMLLBANEKLXSJF-XQQFMLRXSA-N 1 0 308.378 2.703 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491505811 429367217 /nfs/dbraw/zinc/36/72/17/429367217.db2.gz MKVNDOHZJIFJFU-YDZSZYSISA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000449309370 429383276 /nfs/dbraw/zinc/38/32/76/429383276.db2.gz DHWPLYVYYGPUOX-SWLSCSKDSA-N 1 0 314.389 2.927 20 5 DFBDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1=O ZINC000517586160 429390183 /nfs/dbraw/zinc/39/01/83/429390183.db2.gz LPVMPFAETXTPNN-KBPBESRZSA-N 1 0 317.389 2.571 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000449565783 429450220 /nfs/dbraw/zinc/45/02/20/429450220.db2.gz KVNPMPJHCFJMQO-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO CCN(C(=O)c1ccc([N+](=O)[O-])cc1C)[C@H]1CCC[NH2+]CC1 ZINC000519180543 429452173 /nfs/dbraw/zinc/45/21/73/429452173.db2.gz VQYUDNHHDMCXRY-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO CC(C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[NH+]1CCC(C)CC1 ZINC000041945483 275700134 /nfs/dbraw/zinc/70/01/34/275700134.db2.gz ATEYONDZKVETHI-ZDUSSCGKSA-N 1 0 323.393 2.674 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1 ZINC000449614931 429460840 /nfs/dbraw/zinc/46/08/40/429460840.db2.gz JLYSSHUCHUFXMS-RHSMWYFYSA-N 1 0 313.357 3.000 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000519540465 429463600 /nfs/dbraw/zinc/46/36/00/429463600.db2.gz PPJVULZZHXHWAB-NVXWUHKLSA-N 1 0 320.389 2.503 20 5 DFBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H](O)C(F)F ZINC000449425817 429412668 /nfs/dbraw/zinc/41/26/68/429412668.db2.gz SRZULGORKAOTIG-YQCLLZEUSA-N 1 0 300.305 2.602 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000426798671 429417492 /nfs/dbraw/zinc/41/74/92/429417492.db2.gz ISIGGEWDCDDLHR-ZDUSSCGKSA-N 1 0 321.421 2.979 20 5 DFBDRO CC[C@](C)(C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-])OC ZINC000449472148 429428250 /nfs/dbraw/zinc/42/82/50/429428250.db2.gz FAZJTLWRHDYFCJ-OAHLLOKOSA-N 1 0 312.366 2.517 20 5 DFBDRO CC[C@@](C)(C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)OC ZINC000449477228 429430949 /nfs/dbraw/zinc/43/09/49/429430949.db2.gz OQPWNWINIHJRFS-WBMJQRKESA-N 1 0 323.393 2.717 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449499161 429435412 /nfs/dbraw/zinc/43/54/12/429435412.db2.gz SXMYHXKULGUBDK-IUODEOHRSA-N 1 0 308.378 2.850 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033062 429484922 /nfs/dbraw/zinc/48/49/22/429484922.db2.gz AKDQBMXLMSFSQO-BBRMVZONSA-N 1 0 319.405 2.566 20 5 DFBDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838325 429530509 /nfs/dbraw/zinc/53/05/09/429530509.db2.gz XKFNRZPSJUMNGM-XFBWCDHKSA-N 1 0 301.390 2.654 20 5 DFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748925 429507555 /nfs/dbraw/zinc/50/75/55/429507555.db2.gz CPCRJJYEPQQZNQ-ZIAGYGMSSA-N 1 0 320.389 2.599 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000366789921 429514481 /nfs/dbraw/zinc/51/44/81/429514481.db2.gz QCLSPACNBRNKGP-DZGCQCFKSA-N 1 0 306.362 2.604 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 ZINC000367025651 429559763 /nfs/dbraw/zinc/55/97/63/429559763.db2.gz CPVSBDAYOJWTEM-CYBMUJFWSA-N 1 0 314.345 2.845 20 5 DFBDRO CC(C)(CCc1ccccc1)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000151973771 275859556 /nfs/dbraw/zinc/85/95/56/275859556.db2.gz OUDMSYFRAQZDDB-UHFFFAOYSA-N 1 0 302.378 2.792 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CCO3)CC2)cc1 ZINC000367106466 429578585 /nfs/dbraw/zinc/57/85/85/429578585.db2.gz JFPHEVOZRZQEQD-UHFFFAOYSA-N 1 0 306.362 2.619 20 5 DFBDRO C[NH+](C)C(C)(C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450218479 429582698 /nfs/dbraw/zinc/58/26/98/429582698.db2.gz XVIJYIUWJUVCAJ-UHFFFAOYSA-N 1 0 320.418 3.470 20 5 DFBDRO C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C[NH3+] ZINC000429163730 429583192 /nfs/dbraw/zinc/58/31/92/429583192.db2.gz OKOZISGLWHENJC-GXFFZTMASA-N 1 0 317.345 2.540 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450252549 429586138 /nfs/dbraw/zinc/58/61/38/429586138.db2.gz ZHSVGCGYNDKPDY-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DFBDRO COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C2 ZINC000366908108 429538404 /nfs/dbraw/zinc/53/84/04/429538404.db2.gz CCPVVWABSMBRFB-MLGOLLRUSA-N 1 0 322.336 2.509 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)ccc1[N+](=O)[O-] ZINC000521231300 429545075 /nfs/dbraw/zinc/54/50/75/429545075.db2.gz DCUPTUHZKTUAHA-OAHLLOKOSA-N 1 0 313.357 2.988 20 5 DFBDRO Cc1cc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)ccc1C[NH+](C)C ZINC000458326588 429621481 /nfs/dbraw/zinc/62/14/81/429621481.db2.gz VDTXLKVIYBUNOV-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO CCOc1cc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492847213 429628792 /nfs/dbraw/zinc/62/87/92/429628792.db2.gz LYRLDGWRKKAUOU-DYVFJYSZSA-N 1 0 322.405 2.976 20 5 DFBDRO CC(C)[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])CC[N@@H+]1C ZINC000450477498 429637287 /nfs/dbraw/zinc/63/72/87/429637287.db2.gz BIBMMIKKWFTSFE-MRXNPFEDSA-N 1 0 314.389 2.919 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CN(C2CC2)CCO1 ZINC000367425397 429645775 /nfs/dbraw/zinc/64/57/75/429645775.db2.gz DKPDKLVQIMAYOZ-LBPRGKRZSA-N 1 0 311.769 2.523 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[NH+]3CCCC3)n2)cc1 ZINC000450278167 429591715 /nfs/dbraw/zinc/59/17/15/429591715.db2.gz UAMSKJLEWCLVKB-UHFFFAOYSA-N 1 0 318.402 3.226 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1nccc2c1cccc2[N+](=O)[O-] ZINC000450313519 429598416 /nfs/dbraw/zinc/59/84/16/429598416.db2.gz LEHVOAYGUFGAGD-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C(C)C ZINC000429387051 429605902 /nfs/dbraw/zinc/60/59/02/429605902.db2.gz YIMHXUWQOTUHGL-AAEUAGOBSA-N 1 0 312.391 2.676 20 5 DFBDRO CC(C)(C)SCC[N@@H+]1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000367252017 429606083 /nfs/dbraw/zinc/60/60/83/429606083.db2.gz KMICINPYFYAFDI-LBPRGKRZSA-N 1 0 312.439 2.960 20 5 DFBDRO CCCN(CC(N)=O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000430149629 429655735 /nfs/dbraw/zinc/65/57/35/429655735.db2.gz NOXKXBHJJGXXAG-UHFFFAOYSA-N 1 0 317.345 2.552 20 5 DFBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1OC)C(=O)OC ZINC000430207880 429662518 /nfs/dbraw/zinc/66/25/18/429662518.db2.gz NMZRBCCFMKDCHS-UHFFFAOYSA-N 1 0 324.377 2.672 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000430214592 429662610 /nfs/dbraw/zinc/66/26/10/429662610.db2.gz DYDGHKAUWPEHHE-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210555 429662735 /nfs/dbraw/zinc/66/27/35/429662735.db2.gz DOKSDCSJMFAVAQ-ZBFHGGJFSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430216308 429662932 /nfs/dbraw/zinc/66/29/32/429662932.db2.gz FDSUEPAJUBDWDY-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430217183 429663076 /nfs/dbraw/zinc/66/30/76/429663076.db2.gz IVPBGBYOKFFEDS-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357050202 276053276 /nfs/dbraw/zinc/05/32/76/276053276.db2.gz LXJUKARBAVKULU-GJZGRUSLSA-N 1 0 303.406 2.760 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CC(C)=C[C@H](C)C1 ZINC000430288003 429674964 /nfs/dbraw/zinc/67/49/64/429674964.db2.gz ZYNCVZVXIDVMES-NSHDSACASA-N 1 0 303.362 2.740 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000190951594 276253154 /nfs/dbraw/zinc/25/31/54/276253154.db2.gz CBWGZMQEIHGPKC-UHFFFAOYSA-N 1 0 308.382 2.790 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]21 ZINC000450784708 429699295 /nfs/dbraw/zinc/69/92/95/429699295.db2.gz CLMPEXRJORGKEQ-RNCFNFMXSA-N 1 0 315.295 2.754 20 5 DFBDRO CCOc1cccc(N2CCC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000277169444 276380771 /nfs/dbraw/zinc/38/07/71/276380771.db2.gz MOHHVCPFYGYTJR-ZDUSSCGKSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[NH2+]CC1CCN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430599457 429700376 /nfs/dbraw/zinc/70/03/76/429700376.db2.gz QMXFMVNOISOFQX-UHFFFAOYSA-N 1 0 318.377 2.558 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000493224879 429716621 /nfs/dbraw/zinc/71/66/21/429716621.db2.gz OHQGMSNZVORXRB-DHZHZOJOSA-N 1 0 319.405 2.845 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC1CC[NH+](C2CCC2)CC1 ZINC000450876638 429718524 /nfs/dbraw/zinc/71/85/24/429718524.db2.gz JSQRRTFBVCFBRU-UHFFFAOYSA-N 1 0 307.398 2.548 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430952297 429728958 /nfs/dbraw/zinc/72/89/58/429728958.db2.gz YQIYRGVOAOGZSA-DOMZBBRYSA-N 1 0 307.394 2.551 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)ccc1[N+](=O)[O-] ZINC000451263712 429798547 /nfs/dbraw/zinc/79/85/47/429798547.db2.gz IGYIQCYLTHRAMK-ZIAGYGMSSA-N 1 0 308.378 2.586 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000493390573 429752943 /nfs/dbraw/zinc/75/29/43/429752943.db2.gz VIPYVXNJGWCLJP-LSDHHAIUSA-N 1 0 314.389 2.829 20 5 DFBDRO CCOc1cccc(N2CCC(CC[NH2+]C)CC2)c1[N+](=O)[O-] ZINC000262308305 276498459 /nfs/dbraw/zinc/49/84/59/276498459.db2.gz PMKFFQPKKPQURD-UHFFFAOYSA-N 1 0 307.394 2.819 20 5 DFBDRO CCOc1cccc(N2CC[C@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000302114577 276498734 /nfs/dbraw/zinc/49/87/34/276498734.db2.gz QYLWWTXOOBDHEI-ZDUSSCGKSA-N 1 0 305.378 2.668 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432349293 429815946 /nfs/dbraw/zinc/81/59/46/429815946.db2.gz UYOBXDDXENUDDK-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1CC(O)C1)C1CC1 ZINC000432425239 429823201 /nfs/dbraw/zinc/82/32/01/429823201.db2.gz ULZAZPDFMHCZMF-MOQPWLNLSA-N 1 0 304.390 2.667 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000451504659 429837219 /nfs/dbraw/zinc/83/72/19/429837219.db2.gz JNEFDFPHCZODLQ-VCTAVGKDSA-N 1 0 308.378 2.753 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451504654 429837909 /nfs/dbraw/zinc/83/79/09/429837909.db2.gz JNEFDFPHCZODLQ-COLVAYQJSA-N 1 0 308.378 2.753 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000493846041 429840397 /nfs/dbraw/zinc/84/03/97/429840397.db2.gz CEMCLHWFEATLDJ-CXOKCQFOSA-N 1 0 317.389 2.549 20 5 DFBDRO Nc1c(F)c(N2CCCC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000432844420 429844912 /nfs/dbraw/zinc/84/49/12/429844912.db2.gz XKQAZWABIXKTIR-GFCCVEGCSA-N 1 0 322.384 2.771 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cccc1[N+](=O)[O-] ZINC000368429526 429848057 /nfs/dbraw/zinc/84/80/57/429848057.db2.gz OOCIRBBOHMUBBQ-CNXAATOLSA-N 1 0 317.389 2.563 20 5 DFBDRO CCN(C)C(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548741 429849920 /nfs/dbraw/zinc/84/99/20/429849920.db2.gz OFICDFMAJCWDSA-OAHLLOKOSA-N 1 0 319.405 2.643 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451548626 429850694 /nfs/dbraw/zinc/85/06/94/429850694.db2.gz VFJNEFGPMDIYKQ-DOMZBBRYSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1c(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451599783 429860954 /nfs/dbraw/zinc/86/09/54/429860954.db2.gz GIYOHKAEZQOWPF-WBVHZDCISA-N 1 0 304.390 2.790 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@]2(C)CO)ccc1[N+](=O)[O-] ZINC000493706968 429813878 /nfs/dbraw/zinc/81/38/78/429813878.db2.gz MQOGXWWSQGNTKC-JKSUJKDBSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451720809 429878153 /nfs/dbraw/zinc/87/81/53/429878153.db2.gz YNNQCJWPDUMRAI-DVOMOZLQSA-N 1 0 320.389 2.586 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)[C@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000248012253 276640396 /nfs/dbraw/zinc/64/03/96/276640396.db2.gz LJLQETOXVHZNFJ-KEYYUXOJSA-N 1 0 321.421 2.745 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000368839767 429898352 /nfs/dbraw/zinc/89/83/52/429898352.db2.gz YINAXIZVZLTDSZ-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cc([C@@H]2CC[N@H+](CCn3ccc([N+](=O)[O-])n3)C2)cs1 ZINC000369020551 429908020 /nfs/dbraw/zinc/90/80/20/429908020.db2.gz YUZINFVYAOXEIA-GFCCVEGCSA-N 1 0 306.391 2.651 20 5 DFBDRO Cc1c(C[NH+]2CCC(n3cccn3)CC2)cccc1[N+](=O)[O-] ZINC000369120867 429913988 /nfs/dbraw/zinc/91/39/88/429913988.db2.gz ZOBZQBZRURJNJZ-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1cnn(C2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000369274639 429922020 /nfs/dbraw/zinc/92/20/20/429922020.db2.gz QZMUKWLWPQKQRF-UHFFFAOYSA-N 1 0 314.389 2.979 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@@H+](Cc3c([N+](=O)[O-])ncn3C)C2)c(C)c1 ZINC000369389781 429936461 /nfs/dbraw/zinc/93/64/61/429936461.db2.gz SKHGDZACRWVUIQ-CQSZACIVSA-N 1 0 314.389 2.935 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369480947 429953660 /nfs/dbraw/zinc/95/36/60/429953660.db2.gz DVPXQULIJFAQLY-IUODEOHRSA-N 1 0 323.368 2.647 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)C(F)F ZINC000574291934 430029341 /nfs/dbraw/zinc/02/93/41/430029341.db2.gz KAQGXGVZRUQSPN-GMXVVIOVSA-N 1 0 300.305 2.576 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000574444006 430042134 /nfs/dbraw/zinc/04/21/34/430042134.db2.gz SQZIKTWYMDOTTR-HNNXBMFYSA-N 1 0 308.378 2.634 20 5 DFBDRO O=C(CC[NH2+]C[C@@H]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573953579 429997481 /nfs/dbraw/zinc/99/74/81/429997481.db2.gz CPNQOMGDVABFPK-CYBMUJFWSA-N 1 0 303.362 2.869 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000581081743 430177232 /nfs/dbraw/zinc/17/72/32/430177232.db2.gz FDSIYGAYPVGANQ-OLZOCXBDSA-N 1 0 322.409 2.553 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000562293841 430117174 /nfs/dbraw/zinc/11/71/74/430117174.db2.gz TZUHFTCMPMYJHP-IINYFYTJSA-N 1 0 321.377 2.709 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000562293842 430117403 /nfs/dbraw/zinc/11/74/03/430117403.db2.gz TZUHFTCMPMYJHP-QMTHXVAHSA-N 1 0 321.377 2.709 20 5 DFBDRO C[NH+]1CCC([C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)CC1 ZINC000270217854 277034886 /nfs/dbraw/zinc/03/48/86/277034886.db2.gz SWYYIBAHVXHEHC-LBPRGKRZSA-N 1 0 324.812 2.811 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000361516558 277082045 /nfs/dbraw/zinc/08/20/45/277082045.db2.gz RIWPDSQAGPPKDD-LSDHHAIUSA-N 1 0 318.377 2.685 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@@H+](C3CC3)C1)CCCC2 ZINC000581247876 430192000 /nfs/dbraw/zinc/19/20/00/430192000.db2.gz CHXRJIRDJGEWAZ-LBPRGKRZSA-N 1 0 302.378 2.517 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000073996464 277214999 /nfs/dbraw/zinc/21/49/99/277214999.db2.gz FQKKTTYAPONKGW-NWDGAFQWSA-N 1 0 323.780 2.557 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2C2(O)CC2)ccc1[N+](=O)[O-] ZINC000565349308 430207356 /nfs/dbraw/zinc/20/73/56/430207356.db2.gz DWKROYOBAATSPE-INIZCTEOSA-N 1 0 320.389 2.873 20 5 DFBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCc1ccccc1O ZINC000542318844 430208450 /nfs/dbraw/zinc/20/84/50/430208450.db2.gz HJXVBRTYRFFKTA-UHFFFAOYSA-N 1 0 316.357 2.854 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000281023242 277325889 /nfs/dbraw/zinc/32/58/89/277325889.db2.gz XTSONZDJGWXQFA-IVMMDQJWSA-N 1 0 320.389 2.705 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cccc([N+](=O)[O-])c1 ZINC000582274343 430284524 /nfs/dbraw/zinc/28/45/24/430284524.db2.gz ORFACJHIMFVYNS-ZDUSSCGKSA-N 1 0 322.409 2.514 20 5 DFBDRO CC1(C)CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000581999149 430258636 /nfs/dbraw/zinc/25/86/36/430258636.db2.gz XCRWILDWVKRRBG-ZFWWWQNUSA-N 1 0 322.405 2.893 20 5 DFBDRO C[C@@H]([N@H+](C)C[C@@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060811 430272201 /nfs/dbraw/zinc/27/22/01/430272201.db2.gz AHTBUTVZHAIHED-CHWSQXEVSA-N 1 0 310.394 2.701 20 5 DFBDRO C[C@H]([N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000544060817 430272750 /nfs/dbraw/zinc/27/27/50/430272750.db2.gz AHTBUTVZHAIHED-STQMWFEESA-N 1 0 310.394 2.701 20 5 DFBDRO O=C1CCCCN1CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581735873 430238396 /nfs/dbraw/zinc/23/83/96/430238396.db2.gz FGUHFZRLVXYOPX-HNNXBMFYSA-N 1 0 317.389 2.574 20 5 DFBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000282204595 277548323 /nfs/dbraw/zinc/54/83/23/277548323.db2.gz ODCAXPSTUWOSKL-SWLSCSKDSA-N 1 0 308.378 2.898 20 5 DFBDRO C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000568342790 430347897 /nfs/dbraw/zinc/34/78/97/430347897.db2.gz FLAPYKDHOTYDPT-IPYPFGDCSA-N 1 0 319.405 2.639 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1 ZINC000568626042 430376495 /nfs/dbraw/zinc/37/64/95/430376495.db2.gz MOEPZIKNBAEEIG-RHSMWYFYSA-N 1 0 320.389 2.865 20 5 DFBDRO Cn1cc(C(C)(C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])cn1 ZINC000547413673 430390345 /nfs/dbraw/zinc/39/03/45/430390345.db2.gz YYUZLDKDBCPCSZ-SOFGYWHQSA-N 1 0 300.362 2.866 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCN(C2CC2)CC1 ZINC000583390803 430392696 /nfs/dbraw/zinc/39/26/96/430392696.db2.gz BEIDOYWOKQXEIH-INIZCTEOSA-N 1 0 301.390 2.799 20 5 DFBDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000548083859 430446174 /nfs/dbraw/zinc/44/61/74/430446174.db2.gz BXLZWYCMMJFBSD-SCRDCRAPSA-N 1 0 305.378 2.502 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CC12CCOCC2 ZINC000569623090 430470971 /nfs/dbraw/zinc/47/09/71/430470971.db2.gz KZHROKAJYREXQK-SWLSCSKDSA-N 1 0 302.374 2.988 20 5 DFBDRO Cc1c(C[NH2+]C[C@H](O)CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000569112019 430425352 /nfs/dbraw/zinc/42/53/52/430425352.db2.gz JHTAUFKBIVYDJK-QGZVFWFLSA-N 1 0 314.385 2.987 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1Cn1ccnc1 ZINC000588549030 430483295 /nfs/dbraw/zinc/48/32/95/430483295.db2.gz SQHRINRLFCHJNB-UYZDIKGJSA-N 1 0 312.373 2.969 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC2CCOCC2)C2CC2)c1 ZINC000599311098 430529567 /nfs/dbraw/zinc/52/95/67/430529567.db2.gz DKIKZOIRHPQPFQ-UHFFFAOYSA-N 1 0 320.389 2.755 20 5 DFBDRO CN(C)c1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000570344181 430536405 /nfs/dbraw/zinc/53/64/05/430536405.db2.gz QBJSWXPSIAQWDI-OAHLLOKOSA-N 1 0 312.373 2.833 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 ZINC000570819887 430579501 /nfs/dbraw/zinc/57/95/01/430579501.db2.gz ZWIZAGXZTNFKFJ-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC[NH2+]CCCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000570912813 430588455 /nfs/dbraw/zinc/58/84/55/430588455.db2.gz FJXFHJVQOZZYGN-UHFFFAOYSA-N 1 0 306.391 3.130 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[N@@H+]3CCCC[C@@H]3C1)CCCC2 ZINC000571042733 430599192 /nfs/dbraw/zinc/59/91/92/430599192.db2.gz OPAVGZZTJRFKJV-CQSZACIVSA-N 1 0 316.405 2.543 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000555139746 430660712 /nfs/dbraw/zinc/66/07/12/430660712.db2.gz RYCPXSIEOFWWPB-GFCCVEGCSA-N 1 0 323.393 2.912 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571326702 430620390 /nfs/dbraw/zinc/62/03/90/430620390.db2.gz KCKBSYHPMLCPLP-GPCFVJJQSA-N 1 0 301.390 2.684 20 5 DFBDRO O=C(CC[NH2+]Cc1ccsc1)Nc1ccccc1[N+](=O)[O-] ZINC000554527564 430641800 /nfs/dbraw/zinc/64/18/00/430641800.db2.gz VEEKFDXVDVKDEG-UHFFFAOYSA-N 1 0 305.359 2.775 20 5 DFBDRO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000572137815 430673965 /nfs/dbraw/zinc/67/39/65/430673965.db2.gz CCXQTNHARCAFDW-UHFFFAOYSA-N 1 0 318.352 3.207 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000572317328 430681291 /nfs/dbraw/zinc/68/12/91/430681291.db2.gz YCKGDMKEOYUOHE-KGLIPLIRSA-N 1 0 321.425 2.571 20 5 DFBDRO CC(=O)c1ccc(N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c([N+](=O)[O-])c1 ZINC000368669888 278247099 /nfs/dbraw/zinc/24/70/99/278247099.db2.gz BREIBRPPDUAUHF-GJZGRUSLSA-N 1 0 317.389 2.860 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@H](C)C2CC2)c([N+](=O)[O-])c1 ZINC000556811899 430693422 /nfs/dbraw/zinc/69/34/22/430693422.db2.gz PRZSUVVHFKWLIU-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CSC[C@@H]1C ZINC000556924064 430695960 /nfs/dbraw/zinc/69/59/60/430695960.db2.gz HNOFUZWQXXBXNC-WDMOLILDSA-N 1 0 323.418 2.653 20 5 DFBDRO C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279210960 278301966 /nfs/dbraw/zinc/30/19/66/278301966.db2.gz YDNCATHEFPPQMP-XHDPSFHLSA-N 1 0 315.377 2.587 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)C(F)F ZINC000296251995 288082519 /nfs/dbraw/zinc/08/25/19/288082519.db2.gz CXOCNJFDYCTILK-SUZMYJTESA-N 1 0 302.321 2.958 20 5 DFBDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000282201249 279028573 /nfs/dbraw/zinc/02/85/73/279028573.db2.gz GUHOWQSFXBCEBQ-VQISRLSMSA-N 1 0 317.389 2.574 20 5 DFBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccccc1[N+](=O)[O-] ZINC000055748215 279323369 /nfs/dbraw/zinc/32/33/69/279323369.db2.gz STRKNMUFGUSNRV-HZSPNIEDSA-N 1 0 319.405 2.691 20 5 DFBDRO C[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C[C@H]1C[NH3+] ZINC000262561915 279728765 /nfs/dbraw/zinc/72/87/65/279728765.db2.gz VPTODQKSRXKGPM-NWDGAFQWSA-N 1 0 300.362 2.564 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cccc1[N+](=O)[O-] ZINC000360356596 280206555 /nfs/dbraw/zinc/20/65/55/280206555.db2.gz WXWFJBLNEXWGFR-CVEARBPZSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1c(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000287173592 280210130 /nfs/dbraw/zinc/21/01/30/280210130.db2.gz OGPKETNALIMULF-BBRMVZONSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000364072477 280326083 /nfs/dbraw/zinc/32/60/83/280326083.db2.gz NJKVPEKPOFJEPL-CABCVRRESA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)cc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000302015018 280364419 /nfs/dbraw/zinc/36/44/19/280364419.db2.gz BVMABJGIEPQZTR-OAHLLOKOSA-N 1 0 319.405 2.542 20 5 DFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])[C@@H](C)C[NH2+]1 ZINC000086471295 288258178 /nfs/dbraw/zinc/25/81/78/288258178.db2.gz RWNAFMHTYZISAO-BDAKNGLRSA-N 1 0 314.183 2.544 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000317382231 280965449 /nfs/dbraw/zinc/96/54/49/280965449.db2.gz JVRMNTKXNFSKPN-DOMZBBRYSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000246761855 281008321 /nfs/dbraw/zinc/00/83/21/281008321.db2.gz OTHZAFSPNKAEEN-ZIAGYGMSSA-N 1 0 319.405 2.753 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1C ZINC000246931533 281198330 /nfs/dbraw/zinc/19/83/30/281198330.db2.gz JYIHQIJFQVVNAM-KBPBESRZSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cccc(N2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1[N+](=O)[O-] ZINC000302495430 281224581 /nfs/dbraw/zinc/22/45/81/281224581.db2.gz LYHVRUZNNJXHGI-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO Cc1ccccc1[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CC1 ZINC000091399984 281385816 /nfs/dbraw/zinc/38/58/16/281385816.db2.gz QISAZGGVEOFVKP-MRXNPFEDSA-N 1 0 300.362 2.841 20 5 DFBDRO COCC[C@H](COC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353651916 292695257 /nfs/dbraw/zinc/69/52/57/292695257.db2.gz UZBSSXBKXDRZOP-CJNGLKHVSA-N 1 0 308.378 2.613 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000361522513 289069493 /nfs/dbraw/zinc/06/94/93/289069493.db2.gz PHEGDSDQQHIZGS-AWEZNQCLSA-N 1 0 310.394 2.703 20 5 DFBDRO CC(C)[C@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415691716 289120545 /nfs/dbraw/zinc/12/05/45/289120545.db2.gz GCVDZTKPODBAOB-CYBMUJFWSA-N 1 0 322.409 2.997 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415760551 289131901 /nfs/dbraw/zinc/13/19/01/289131901.db2.gz KHBLMABJBCZZBS-GFCCVEGCSA-N 1 0 308.382 2.652 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415764950 289132673 /nfs/dbraw/zinc/13/26/73/289132673.db2.gz QCGOEOSPPRBMIO-FZMZJTMJSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415770917 289133979 /nfs/dbraw/zinc/13/39/79/289133979.db2.gz ZGABFMZINQDFKS-DGCLKSJQSA-N 1 0 320.393 2.606 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)[C@@H]2C1 ZINC000364986225 290234474 /nfs/dbraw/zinc/23/44/74/290234474.db2.gz KNOYKPPIXJRLAB-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO CN1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000436363203 297000049 /nfs/dbraw/zinc/00/00/49/297000049.db2.gz ASPUGLJRUVBALB-HNNXBMFYSA-N 1 0 311.385 2.993 20 5 DFBDRO CC[N@H+](CC(=O)N(Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000154119444 295292354 /nfs/dbraw/zinc/29/23/54/295292354.db2.gz ZSOIZEGRGWKTLB-UHFFFAOYSA-N 1 0 317.389 2.570 20 5 DFBDRO CC1CC[NH+](CCN2CCc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC000154206462 295294336 /nfs/dbraw/zinc/29/43/36/295294336.db2.gz TWHCOZQDJDZWOH-UHFFFAOYSA-N 1 0 303.406 2.685 20 5 DFBDRO COc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289838090 295360771 /nfs/dbraw/zinc/36/07/71/295360771.db2.gz PFARQMCPAXBMPE-UHFFFAOYSA-N 1 0 301.346 2.569 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000495424990 299926547 /nfs/dbraw/zinc/92/65/47/299926547.db2.gz UTTKZQBSXPKIQY-STQMWFEESA-N 1 0 321.377 2.785 20 5 DFBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000163199525 295420753 /nfs/dbraw/zinc/42/07/53/295420753.db2.gz GVMLNFXDBPKSBJ-QLFBSQMISA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1nc(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)no1 ZINC000363444258 295425970 /nfs/dbraw/zinc/42/59/70/295425970.db2.gz OVCGYXOOQVRCKT-UHFFFAOYSA-N 1 0 316.361 2.974 20 5 DFBDRO CC(C)[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000438487003 297095224 /nfs/dbraw/zinc/09/52/24/297095224.db2.gz CXRRRAOWQUKBNF-BBRMVZONSA-N 1 0 317.389 2.678 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000438490339 297095266 /nfs/dbraw/zinc/09/52/66/297095266.db2.gz OWAVRXQROYEIHU-CYBMUJFWSA-N 1 0 305.378 2.820 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000441212231 297175807 /nfs/dbraw/zinc/17/58/07/297175807.db2.gz UAFIXACBUWRACC-CHWSQXEVSA-N 1 0 308.353 2.982 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764395 297205137 /nfs/dbraw/zinc/20/51/37/297205137.db2.gz KMITUOPHVHCKRH-QWHCGFSZSA-N 1 0 307.394 2.551 20 5 DFBDRO CC(C)COCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511490 297306032 /nfs/dbraw/zinc/30/60/32/297306032.db2.gz MAJSGJXCENKFBA-CABCVRRESA-N 1 0 324.425 2.927 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)cn1 ZINC000447527535 297306560 /nfs/dbraw/zinc/30/65/60/297306560.db2.gz GOLREARDVNLVSZ-LSDHHAIUSA-N 1 0 315.377 2.768 20 5 DFBDRO CO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447529108 297306931 /nfs/dbraw/zinc/30/69/31/297306931.db2.gz LEAPHMQYAKDPJS-HZSPNIEDSA-N 1 0 310.398 2.536 20 5 DFBDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447536033 297307333 /nfs/dbraw/zinc/30/73/33/297307333.db2.gz KJMQIJPMGJIAQS-IHRRRGAJSA-N 1 0 324.425 2.662 20 5 DFBDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1(C)C ZINC000447588018 297309536 /nfs/dbraw/zinc/30/95/36/297309536.db2.gz SIJGHLRBARYUMC-RFQIPJPRSA-N 1 0 322.409 2.678 20 5 DFBDRO Cn1ccc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000447598390 297310316 /nfs/dbraw/zinc/31/03/16/297310316.db2.gz IBVZLXYZVCHFPK-INIZCTEOSA-N 1 0 300.362 2.538 20 5 DFBDRO CC(C)(C)[C@@H]1CN(CCOc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000447840168 297320216 /nfs/dbraw/zinc/32/02/16/297320216.db2.gz PXRWXYXRUHPOFC-HNNXBMFYSA-N 1 0 308.378 2.721 20 5 DFBDRO COc1cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)ccc1[N+](=O)[O-] ZINC000447846249 297320915 /nfs/dbraw/zinc/32/09/15/297320915.db2.gz XMCDDJQHRCUIIG-GXTWGEPZSA-N 1 0 308.378 2.729 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000447898444 297324543 /nfs/dbraw/zinc/32/45/43/297324543.db2.gz VRGMAQXEDRMTMA-AWEZNQCLSA-N 1 0 320.393 2.837 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCSC2)n1 ZINC000448027828 297329990 /nfs/dbraw/zinc/32/99/90/297329990.db2.gz NWCQSGIISIVART-RWMBFGLXSA-N 1 0 310.423 2.618 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC[C@H]1CCCO1 ZINC000449067201 297399650 /nfs/dbraw/zinc/39/96/50/297399650.db2.gz JISUXUMAJIYTBP-GDBMZVCRSA-N 1 0 322.405 2.701 20 5 DFBDRO COCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449333364 297447925 /nfs/dbraw/zinc/44/79/25/297447925.db2.gz BETZDGFCNWVHSE-AWEZNQCLSA-N 1 0 322.405 2.559 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000449514971 297484588 /nfs/dbraw/zinc/48/45/88/297484588.db2.gz ZGGZIIGWCMBBHA-NBQNJAIASA-N 1 0 316.401 2.995 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449583158 297495004 /nfs/dbraw/zinc/49/50/04/297495004.db2.gz HRLFRMCCHHUUIX-VUDGCMKMSA-N 1 0 300.362 2.562 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000450353823 297617472 /nfs/dbraw/zinc/61/74/72/297617472.db2.gz HDAZTFUKTARTCM-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO CCO[C@@H]1C[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000451473815 297811415 /nfs/dbraw/zinc/81/14/15/297811415.db2.gz PLSNLCJZAIYDTE-HZPDHXFCSA-N 1 0 320.389 2.911 20 5 DFBDRO CC(F)(F)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453220735 298072660 /nfs/dbraw/zinc/07/26/60/298072660.db2.gz ODUUKLZRSYWFEX-MNOVXSKESA-N 1 0 302.325 2.910 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1=CCOCC1)C1CC1 ZINC000453298752 298080925 /nfs/dbraw/zinc/08/09/25/298080925.db2.gz USBBSSUHUWOZSS-INIZCTEOSA-N 1 0 302.374 2.852 20 5 DFBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373674 298087491 /nfs/dbraw/zinc/08/74/91/298087491.db2.gz SZDUKYUQTKYUSN-OLZOCXBDSA-N 1 0 324.425 2.662 20 5 DFBDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453371918 298087801 /nfs/dbraw/zinc/08/78/01/298087801.db2.gz YNMZKVYUVBPRHW-PXAZEXFGSA-N 1 0 314.389 2.927 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]Cc2csc([N+](=O)[O-])c2)cc1C ZINC000453636273 298107318 /nfs/dbraw/zinc/10/73/18/298107318.db2.gz UAAHTSIVDYVYHD-OAHLLOKOSA-N 1 0 320.414 2.966 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000454145857 298126374 /nfs/dbraw/zinc/12/63/74/298126374.db2.gz LYYMFGSGDVBJTA-ZDUSSCGKSA-N 1 0 320.393 2.851 20 5 DFBDRO C[NH+](C)CCCC(C)(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454319310 298154339 /nfs/dbraw/zinc/15/43/39/298154339.db2.gz LZXWPNADCSADJJ-UHFFFAOYSA-N 1 0 308.382 2.837 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000454630321 298210925 /nfs/dbraw/zinc/21/09/25/298210925.db2.gz KSPCSPIDUVFZRQ-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO Cc1c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)cnn1C ZINC000507168364 300233481 /nfs/dbraw/zinc/23/34/81/300233481.db2.gz CJZLHTAXAQLJLE-UHFFFAOYSA-N 1 0 300.362 2.801 20 5 DFBDRO CCOC(=O)c1cc(NCCC[NH2+]C(C)C)ccc1[N+](=O)[O-] ZINC000515406311 300305564 /nfs/dbraw/zinc/30/55/64/300305564.db2.gz LJFHWBMSLQPQJD-UHFFFAOYSA-N 1 0 309.366 2.572 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H](C[NH3+])CC(C)C ZINC000517230699 300388410 /nfs/dbraw/zinc/38/84/10/300388410.db2.gz NUOBGAMRPKRNQJ-ZDUSSCGKSA-N 1 0 307.394 2.623 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1[N+](=O)[O-] ZINC000519598487 300461754 /nfs/dbraw/zinc/46/17/54/300461754.db2.gz AGFJCJIFWDQPHB-CHWSQXEVSA-N 1 0 317.389 2.565 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000521621862 300532622 /nfs/dbraw/zinc/53/26/22/300532622.db2.gz HMKVVURFNNFUAV-STQMWFEESA-N 1 0 322.409 2.641 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000522061195 300547767 /nfs/dbraw/zinc/54/77/67/300547767.db2.gz SGHJQYONROEYRS-VHSXEESVSA-N 1 0 311.407 2.562 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC[C@H]1CCCO1 ZINC000526046412 300619368 /nfs/dbraw/zinc/61/93/68/300619368.db2.gz DHPVTZZLOTUEIN-IDKBZEPQSA-N 1 0 320.389 2.783 20 5 DFBDRO CCC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531959253 301120957 /nfs/dbraw/zinc/12/09/57/301120957.db2.gz VYVNNALULFNMRC-WMLDXEAASA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000532024954 301125936 /nfs/dbraw/zinc/12/59/36/301125936.db2.gz QQKUUFDHXGXKTH-ZIAGYGMSSA-N 1 0 318.373 2.998 20 5 DFBDRO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000532168092 301134691 /nfs/dbraw/zinc/13/46/91/301134691.db2.gz ZYAHDRSZWOSEPS-WBVHZDCISA-N 1 0 319.405 2.959 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532218706 301137716 /nfs/dbraw/zinc/13/77/16/301137716.db2.gz OVTHJKHFBVNJPG-HSBZDZAISA-N 1 0 319.405 2.859 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)CC1CCCC1 ZINC000532513390 301157837 /nfs/dbraw/zinc/15/78/37/301157837.db2.gz UPWDIJKUPYPANC-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C2CCC1CC2 ZINC000532916450 301177310 /nfs/dbraw/zinc/17/73/10/301177310.db2.gz ZTPLPBJPMJPRDL-UHFFFAOYSA-N 1 0 319.361 2.559 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000533390659 301198955 /nfs/dbraw/zinc/19/89/55/301198955.db2.gz UXCRYDLAMLBEKU-UHFFFAOYSA-N 1 0 306.362 2.950 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000534272970 301223250 /nfs/dbraw/zinc/22/32/50/301223250.db2.gz YQPBBUXWNJKPFC-QWHCGFSZSA-N 1 0 312.373 2.816 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccc(C)o2)c([N+](=O)[O-])cc1OC ZINC000539439480 301342738 /nfs/dbraw/zinc/34/27/38/301342738.db2.gz FASAAEMILBTMRY-UHFFFAOYSA-N 1 0 320.345 2.846 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000539882053 301353345 /nfs/dbraw/zinc/35/33/45/301353345.db2.gz MAFVOYXITORHPJ-LLVKDONJSA-N 1 0 319.405 2.592 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000540157171 301359132 /nfs/dbraw/zinc/35/91/32/301359132.db2.gz XGPWLZKOCQRCEM-CABZTGNLSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+]C1(C2CC2)CC1 ZINC000541594778 301391163 /nfs/dbraw/zinc/39/11/63/301391163.db2.gz JBLJTFXIQKXCFY-UHFFFAOYSA-N 1 0 303.362 2.764 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000542254411 301410337 /nfs/dbraw/zinc/41/03/37/301410337.db2.gz SXQOKWJOWYJDJJ-WFASDCNBSA-N 1 0 310.394 2.749 20 5 DFBDRO C[C@H](C(=O)N(C)CCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000545986911 301486739 /nfs/dbraw/zinc/48/67/39/301486739.db2.gz QJDPGUPFDMPIGD-AWEZNQCLSA-N 1 0 319.405 2.643 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000552851979 301698855 /nfs/dbraw/zinc/69/88/55/301698855.db2.gz AVTXZIARRBOIFM-IPYPFGDCSA-N 1 0 308.378 2.503 20 5 DFBDRO C[NH+](C)CCCCC(=O)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000557565340 301834054 /nfs/dbraw/zinc/83/40/54/301834054.db2.gz FIHWPQVCUMOSMW-UHFFFAOYSA-N 1 0 313.785 2.596 20 5 DFBDRO Cc1cc(N2CCC[C@@H](C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000561264595 301930292 /nfs/dbraw/zinc/93/02/92/301930292.db2.gz GQGKUZFGUGUKLS-LBPRGKRZSA-N 1 0 300.362 2.627 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)cc1[N+](=O)[O-] ZINC000562832406 302007484 /nfs/dbraw/zinc/00/74/84/302007484.db2.gz CKODTEHSOZODRM-CHWSQXEVSA-N 1 0 307.369 2.868 20 5 DFBDRO C[C@@H](C(=O)NC(C)(C)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000562970466 302019448 /nfs/dbraw/zinc/01/94/48/302019448.db2.gz CRIBDGTWYRMUNT-CYBMUJFWSA-N 1 0 319.405 2.689 20 5 DFBDRO Cc1cnc(OC[C@@H](C[NH3+])c2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000563081717 302035408 /nfs/dbraw/zinc/03/54/08/302035408.db2.gz ROPRCLXNCYRPGB-GFCCVEGCSA-N 1 0 305.309 2.559 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000564298106 302127077 /nfs/dbraw/zinc/12/70/77/302127077.db2.gz FIHQCTJSUDNVJC-LLVKDONJSA-N 1 0 323.368 2.536 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000564816286 302160861 /nfs/dbraw/zinc/16/08/61/302160861.db2.gz BVCXXAYPJIWJHY-IHRRRGAJSA-N 1 0 319.405 2.846 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NC1CC[NH+](C3CC3)CC1)CCCC2 ZINC000564892089 302169750 /nfs/dbraw/zinc/16/97/50/302169750.db2.gz GKKXQSRQHCQQKO-UHFFFAOYSA-N 1 0 316.405 2.907 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155899 302198563 /nfs/dbraw/zinc/19/85/63/302198563.db2.gz GQBHRACIJBNJKV-GFCCVEGCSA-N 1 0 320.780 2.971 20 5 DFBDRO CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000565219585 302209043 /nfs/dbraw/zinc/20/90/43/302209043.db2.gz YZDCPISAMXBBKP-BXUZGUMPSA-N 1 0 317.389 2.571 20 5 DFBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000566121966 302261682 /nfs/dbraw/zinc/26/16/82/302261682.db2.gz UQNZOERXHZFJHP-CYBMUJFWSA-N 1 0 324.421 2.996 20 5 DFBDRO COc1cc(CSCC2CC[NH2+]CC2)c([N+](=O)[O-])cc1F ZINC000566853189 302317080 /nfs/dbraw/zinc/31/70/80/302317080.db2.gz HAYUWYGDTLGQPP-UHFFFAOYSA-N 1 0 314.382 2.975 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000567121958 302338143 /nfs/dbraw/zinc/33/81/43/302338143.db2.gz WRDSJBJXCVVSCM-CQSZACIVSA-N 1 0 321.377 2.710 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)C[C@@H](C)[NH3+] ZINC000567471639 302361597 /nfs/dbraw/zinc/36/15/97/302361597.db2.gz VHPWIQADUHICGO-HTQZYQBOSA-N 1 0 315.757 2.573 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)c1 ZINC000567680686 302379144 /nfs/dbraw/zinc/37/91/44/302379144.db2.gz CBEOQNUJIWYQSA-INIZCTEOSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000567686124 302379732 /nfs/dbraw/zinc/37/97/32/302379732.db2.gz XRFCEBKPOPOYED-KSSFIOAISA-N 1 0 314.385 2.892 20 5 DFBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000567691223 302380293 /nfs/dbraw/zinc/38/02/93/302380293.db2.gz RZQVBELNPGQGCI-MELADBBJSA-N 1 0 310.394 2.749 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1NCc1ccc(C[NH3+])cc1 ZINC000567876899 302395639 /nfs/dbraw/zinc/39/56/39/302395639.db2.gz BKOYLGNTGXPTMS-UHFFFAOYSA-N 1 0 301.346 2.812 20 5 DFBDRO C[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000569838602 302540986 /nfs/dbraw/zinc/54/09/86/302540986.db2.gz JCPGKFLIODMYFA-VIFPVBQESA-N 1 0 319.283 2.711 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000569891749 302543503 /nfs/dbraw/zinc/54/35/03/302543503.db2.gz CRUXEWLEFQRZCR-UAGQMJEPSA-N 1 0 318.417 2.914 20 5 DFBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570291587 302566647 /nfs/dbraw/zinc/56/66/47/302566647.db2.gz IFQNOIBECHVQNF-BMIGLBTASA-N 1 0 300.362 2.975 20 5 DFBDRO CCN(CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000571150633 302606386 /nfs/dbraw/zinc/60/63/86/302606386.db2.gz NFBGHPSHLJSSQS-HUUCEWRRSA-N 1 0 323.441 2.595 20 5 DFBDRO CC(C)(C)C1CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000571158871 302606542 /nfs/dbraw/zinc/60/65/42/302606542.db2.gz YRSNNDSJIVBGNO-SSDMNJCBSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000571742875 302631430 /nfs/dbraw/zinc/63/14/30/302631430.db2.gz MAIXTCKPYIWUOK-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO [NH3+]CC12CCC(CC1)CN2Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000572423808 302662135 /nfs/dbraw/zinc/66/21/35/302662135.db2.gz NHUCKHLLSFUWRR-UHFFFAOYSA-N 1 0 309.797 2.952 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000573752036 302721495 /nfs/dbraw/zinc/72/14/95/302721495.db2.gz MKXCBFGQIDEHAK-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO C[C@H]1CC([NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000574072707 302739089 /nfs/dbraw/zinc/73/90/89/302739089.db2.gz ZXYZIHIQZCSHES-XJKCOSOUSA-N 1 0 322.405 2.749 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H](O)C(F)F ZINC000574291935 302751606 /nfs/dbraw/zinc/75/16/06/302751606.db2.gz KAQGXGVZRUQSPN-GVXVVHGQSA-N 1 0 300.305 2.576 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173344320 315957104 /nfs/dbraw/zinc/95/71/04/315957104.db2.gz DIOYLEMTTOVUTR-GFCCVEGCSA-N 1 0 305.378 2.694 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000181504993 316061611 /nfs/dbraw/zinc/06/16/11/316061611.db2.gz VFZXLCAQNYOGRV-OAHLLOKOSA-N 1 0 322.405 2.847 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+](C1CC1)C1CCCC1 ZINC000181861720 316075397 /nfs/dbraw/zinc/07/53/97/316075397.db2.gz JCLWTWUQINQUHR-HNNXBMFYSA-N 1 0 320.389 2.742 20 5 DFBDRO COc1ccc([C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C(C)C)cc1 ZINC000182048221 316083257 /nfs/dbraw/zinc/08/32/57/316083257.db2.gz WVOMOYUALPGKPO-INIZCTEOSA-N 1 0 318.377 2.787 20 5 DFBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCO1 ZINC000182296762 316095544 /nfs/dbraw/zinc/09/55/44/316095544.db2.gz HFZRFZKEMZRXSQ-AAEUAGOBSA-N 1 0 305.334 2.783 20 5 DFBDRO Cc1cc(C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000183098231 316129937 /nfs/dbraw/zinc/12/99/37/316129937.db2.gz AXSTUQXRPKHSBB-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO NC(=O)c1c[nH+]ccc1NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000184121195 316158894 /nfs/dbraw/zinc/15/88/94/316158894.db2.gz LPYTZKNVXMFAQS-UHFFFAOYSA-N 1 0 314.345 2.524 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000187982599 316216167 /nfs/dbraw/zinc/21/61/67/316216167.db2.gz WNJIFRDKFWEDKY-CZUORRHYSA-N 1 0 317.389 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000316485160 316245423 /nfs/dbraw/zinc/24/54/23/316245423.db2.gz XEIREMWNBMPNLY-SJORKVTESA-N 1 0 303.406 2.744 20 5 DFBDRO Cc1c(Br)c(N[C@@H](C)C[C@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320040959 316252210 /nfs/dbraw/zinc/25/22/10/316252210.db2.gz COXQDHGDGLNOPZ-BQBZGAKWSA-N 1 0 317.187 2.598 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000322308971 316258240 /nfs/dbraw/zinc/25/82/40/316258240.db2.gz XPGQBWUCJANPHB-LBPRGKRZSA-N 1 0 321.377 2.524 20 5 DFBDRO C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(C2([NH3+])CCC2)no1 ZINC000414621561 316633174 /nfs/dbraw/zinc/63/31/74/316633174.db2.gz AIEFQACIWRYLKM-KTKRTIGZSA-N 1 0 300.318 2.876 20 5 DFBDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCO1 ZINC000421854828 316774924 /nfs/dbraw/zinc/77/49/24/316774924.db2.gz LCMILUULKAFMGI-TUVASFSCSA-N 1 0 322.409 2.822 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000446330741 317011566 /nfs/dbraw/zinc/01/15/66/317011566.db2.gz KDIPGXUOTIEJBV-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO CCc1nn(C)cc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449249264 317032643 /nfs/dbraw/zinc/03/26/43/317032643.db2.gz ISZKTOMATMNOLU-LBPRGKRZSA-N 1 0 302.378 2.612 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000449559472 317043978 /nfs/dbraw/zinc/04/39/78/317043978.db2.gz YKLKFPHUWJZYCX-KMFMINBZSA-N 1 0 304.390 2.886 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000449559474 317044611 /nfs/dbraw/zinc/04/46/11/317044611.db2.gz YKLKFPHUWJZYCX-UNEWFSDZSA-N 1 0 304.390 2.886 20 5 DFBDRO CN(CC[NH+](C)C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000450366910 317085478 /nfs/dbraw/zinc/08/54/78/317085478.db2.gz VCHMBNZFESCNBD-UHFFFAOYSA-N 1 0 306.391 2.716 20 5 DFBDRO C[C@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000450375372 317086817 /nfs/dbraw/zinc/08/68/17/317086817.db2.gz DQQFAKHSRCUKDG-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO Cc1ccc(C[N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1C ZINC000452039272 317121109 /nfs/dbraw/zinc/12/11/09/317121109.db2.gz AZVKDFSUYXJFAX-UHFFFAOYSA-N 1 0 315.373 2.505 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000453078476 317160044 /nfs/dbraw/zinc/16/00/44/317160044.db2.gz IGURCMMJXIMVTD-GJZGRUSLSA-N 1 0 306.362 2.651 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453295079 317177360 /nfs/dbraw/zinc/17/73/60/317177360.db2.gz PBKQUFJOMGPIHY-WOSRLPQWSA-N 1 0 308.378 2.605 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C[C@@H]2C[C@H]2C2CC2)n1 ZINC000453395150 317183299 /nfs/dbraw/zinc/18/32/99/317183299.db2.gz XETVMQWHMGGGOQ-XQLPTFJDSA-N 1 0 304.394 2.911 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000488049562 317363200 /nfs/dbraw/zinc/36/32/00/317363200.db2.gz MMXNOGYPPXNEIR-UKRRQHHQSA-N 1 0 319.405 2.955 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000488074908 317364977 /nfs/dbraw/zinc/36/49/77/317364977.db2.gz JVQWRBPTBPNFCZ-SWLSCSKDSA-N 1 0 314.389 2.706 20 5 DFBDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cc([N+](=O)[O-])cn1C ZINC000531374918 317799556 /nfs/dbraw/zinc/79/95/56/317799556.db2.gz VKLIOZUIZUXCBM-UHFFFAOYSA-N 1 0 316.361 2.556 20 5 DFBDRO Cn1cc(C(C)(C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])cn1 ZINC000547413675 317847877 /nfs/dbraw/zinc/84/78/77/317847877.db2.gz YYUZLDKDBCPCSZ-VURMDHGXSA-N 1 0 300.362 2.866 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C[C@H](O)C2CCCCC2)cc1 ZINC000565534443 317923930 /nfs/dbraw/zinc/92/39/30/317923930.db2.gz BAVBMNAIGJJNRH-INIZCTEOSA-N 1 0 308.378 2.504 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCCSC1 ZINC000571915598 317995028 /nfs/dbraw/zinc/99/50/28/317995028.db2.gz XIIZGXGEPRGGNY-YPMHNXCESA-N 1 0 323.418 2.797 20 5 DFBDRO CN(c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000572858902 318006181 /nfs/dbraw/zinc/00/61/81/318006181.db2.gz JMCQYKCBLUAQOZ-GFCCVEGCSA-N 1 0 304.375 2.516 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000574757324 318038400 /nfs/dbraw/zinc/03/84/00/318038400.db2.gz ZZHIBQZNOGHQFA-LKIHTYOGSA-N 1 0 324.384 2.650 20 5 DFBDRO CC[C@]1(C(C)C)C[C@H]1[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000575917017 318091268 /nfs/dbraw/zinc/09/12/68/318091268.db2.gz FWAWCAPHOOHANG-KBRIMQKVSA-N 1 0 322.405 2.749 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]Cc2cccc(O)c2)n1 ZINC000576543577 318133514 /nfs/dbraw/zinc/13/35/14/318133514.db2.gz CMKSXALNCLYPMR-GJZGRUSLSA-N 1 0 316.361 2.770 20 5 DFBDRO C[C@](O)(C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000576864645 318155452 /nfs/dbraw/zinc/15/54/52/318155452.db2.gz YYITWQPZPHHKIP-ZDUSSCGKSA-N 1 0 320.311 2.820 20 5 DFBDRO O=c1c2ccc([N+](=O)[O-])cc2ccn1CCC[NH+]1CCCCC1 ZINC000576992012 318164216 /nfs/dbraw/zinc/16/42/16/318164216.db2.gz CBFMMPWODTUEJO-UHFFFAOYSA-N 1 0 315.373 2.786 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC(CC[NH3+])CC1 ZINC000577645179 318207935 /nfs/dbraw/zinc/20/79/35/318207935.db2.gz HEHJJENOUIQIOO-UHFFFAOYSA-N 1 0 319.405 2.721 20 5 DFBDRO CC(C)(CO)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000577737730 318213751 /nfs/dbraw/zinc/21/37/51/318213751.db2.gz RNVHOLUMKIKUGP-KBPBESRZSA-N 1 0 324.425 2.663 20 5 DFBDRO Cc1cnc(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000579182440 318311775 /nfs/dbraw/zinc/31/17/75/318311775.db2.gz PUHQVMXLWNTFIR-NWDGAFQWSA-N 1 0 321.406 2.830 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000579730952 318351068 /nfs/dbraw/zinc/35/10/68/318351068.db2.gz XLRFIPPLSJEHKC-AWEZNQCLSA-N 1 0 321.377 2.710 20 5 DFBDRO CC(C)Oc1nc(N2CCc3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC000579979016 318368141 /nfs/dbraw/zinc/36/81/41/318368141.db2.gz NLFWFHJZOWOPPW-UHFFFAOYSA-N 1 0 300.318 2.866 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000192631161 323245157 /nfs/dbraw/zinc/24/51/57/323245157.db2.gz XBLBIDLBFJJAOK-UKPHBRMFSA-N 1 0 322.405 2.845 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000194360331 323267594 /nfs/dbraw/zinc/26/75/94/323267594.db2.gz MNHJYJRFWDLVFG-KBPBESRZSA-N 1 0 308.378 2.599 20 5 DFBDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000387448605 323324165 /nfs/dbraw/zinc/32/41/65/323324165.db2.gz MJHCGTGEPITVNM-LLVKDONJSA-N 1 0 309.366 2.566 20 5 DFBDRO CC1(C)CCC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000581999147 323599167 /nfs/dbraw/zinc/59/91/67/323599167.db2.gz XCRWILDWVKRRBG-HIFRSBDPSA-N 1 0 322.405 2.893 20 5 DFBDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583510310 323869967 /nfs/dbraw/zinc/86/99/67/323869967.db2.gz ODHSSPKHYQPWNN-LSDHHAIUSA-N 1 0 312.373 2.983 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415291190 500978997 /nfs/dbraw/zinc/97/89/97/500978997.db2.gz FSFMNJHZDKOWCD-MFKMUULPSA-N 1 0 320.393 2.660 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415289814 500979061 /nfs/dbraw/zinc/97/90/61/500979061.db2.gz CCOZXLJWHYRZCG-ZDUSSCGKSA-N 1 0 320.393 2.721 20 5 DFBDRO COc1cc(C[NH2+]CCC2(OC)CCC2)c([N+](=O)[O-])cc1OC ZINC000293038556 533873993 /nfs/dbraw/zinc/87/39/93/533873993.db2.gz SCMNEZCOUYMZNF-UHFFFAOYSA-N 1 0 324.377 2.661 20 5 DFBDRO COc1cc(C[NH2+][C@@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000305844497 533893666 /nfs/dbraw/zinc/89/36/66/533893666.db2.gz SBTRAMUSAHNGCF-HNNXBMFYSA-N 1 0 316.357 2.817 20 5 DFBDRO C[C@H](CCO)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000295033588 533961893 /nfs/dbraw/zinc/96/18/93/533961893.db2.gz DKNPYOMYALNMGD-JTQLQIEISA-N 1 0 318.320 2.694 20 5 DFBDRO C[C@H](CCO)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000297454940 533964728 /nfs/dbraw/zinc/96/47/28/533964728.db2.gz XGJOTEZCTXAIDS-BBRMVZONSA-N 1 0 306.406 2.914 20 5 DFBDRO C[C@@H](CO)C[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000305852005 534112277 /nfs/dbraw/zinc/11/22/77/534112277.db2.gz VGRFWLIQGVYJNS-DYVFJYSZSA-N 1 0 300.358 2.902 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000302140136 534247061 /nfs/dbraw/zinc/24/70/61/534247061.db2.gz FELBGUZHXQJYOK-RISCZKNCSA-N 1 0 321.377 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1 ZINC000332523774 534316990 /nfs/dbraw/zinc/31/69/90/534316990.db2.gz QVXYKOJLJCJTGH-ZIAGYGMSSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H]1C[N@@H+](CCCCNc2sccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000301981015 534461771 /nfs/dbraw/zinc/46/17/71/534461771.db2.gz AYFTZYGYOPACMD-TXEJJXNPSA-N 1 0 313.423 2.958 20 5 DFBDRO Cc1nc(NCCCC[N@H+]2CCCC[C@@H]2C)ncc1[N+](=O)[O-] ZINC000295005274 534488726 /nfs/dbraw/zinc/48/87/26/534488726.db2.gz AMBGQNPVDHLPSK-LBPRGKRZSA-N 1 0 307.398 2.760 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC12CCOCC2 ZINC000373760569 522975577 /nfs/dbraw/zinc/97/55/77/522975577.db2.gz LGFNMNGVSQLUBD-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)CC[NH2+]1 ZINC000188454419 524856839 /nfs/dbraw/zinc/85/68/39/524856839.db2.gz VLMROMQATQEGRQ-CYBMUJFWSA-N 1 0 305.381 2.822 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000156069242 525569231 /nfs/dbraw/zinc/56/92/31/525569231.db2.gz ITCJICIRVLEVMY-CQSZACIVSA-N 1 0 318.377 2.605 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000364198821 527355658 /nfs/dbraw/zinc/35/56/58/527355658.db2.gz GRHWAKNDHVYNHX-HIFRSBDPSA-N 1 0 323.780 2.592 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)NC1CC([NH+]2CCCCC2)C1 ZINC000366383123 527373952 /nfs/dbraw/zinc/37/39/52/527373952.db2.gz YTEUSMPWCWFIOP-UHFFFAOYSA-N 1 0 318.377 2.733 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCN2 ZINC000365046078 527380343 /nfs/dbraw/zinc/38/03/43/527380343.db2.gz ABRYZLSVMYJXFO-RYUDHWBXSA-N 1 0 302.378 2.602 20 5 DFBDRO [NH3+][C@H]1CCC[C@@]12CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000365097292 527405129 /nfs/dbraw/zinc/40/51/29/527405129.db2.gz YILDRYQKINFOJX-ZFWWWQNUSA-N 1 0 323.780 2.592 20 5 DFBDRO CC[N@H+]1C[C@@H](C)N(Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000331308707 527931013 /nfs/dbraw/zinc/93/10/13/527931013.db2.gz BLXFZSOWMHHSCI-BETUJISGSA-N 1 0 307.394 2.518 20 5 DFBDRO CCC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000318057733 528238686 /nfs/dbraw/zinc/23/86/86/528238686.db2.gz UJLRQUBQRUWMQM-DOMZBBRYSA-N 1 0 307.394 2.939 20 5 DFBDRO CCC[NH2+][C@@H](C)C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000294919171 528534211 /nfs/dbraw/zinc/53/42/11/528534211.db2.gz BJYFTXCEGIUBFA-ZDUSSCGKSA-N 1 0 307.394 2.720 20 5 DFBDRO CC(C)[N@H+](C)Cc1ccccc1CNc1ncc([N+](=O)[O-])cn1 ZINC000302114950 528838899 /nfs/dbraw/zinc/83/88/99/528838899.db2.gz RBIYNONYKFFYEJ-UHFFFAOYSA-N 1 0 315.377 2.837 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cc(CO)ccc1[N+](=O)[O-] ZINC000302061632 529202193 /nfs/dbraw/zinc/20/21/93/529202193.db2.gz SFUAJHOIONGLBX-AWEZNQCLSA-N 1 0 307.394 2.764 20 5 DFBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cn1)[NH+]1CCCC1 ZINC000354511496 535146967 /nfs/dbraw/zinc/14/69/67/535146967.db2.gz RCLLAMLZRROUMS-AWEZNQCLSA-N 1 0 307.398 2.697 20 5 DFBDRO CC(C)c1ccc(C[NH+]2CCC(OCCO)CC2)cc1[N+](=O)[O-] ZINC000354044071 535371089 /nfs/dbraw/zinc/37/10/89/535371089.db2.gz FBBIVXDCGHVUEM-UHFFFAOYSA-N 1 0 322.405 2.692 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000174217154 535597443 /nfs/dbraw/zinc/59/74/43/535597443.db2.gz WXMDBGHHYUVFAV-CYBMUJFWSA-N 1 0 309.385 2.898 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccc([N+](=O)[O-])c1C ZINC000357155366 535699052 /nfs/dbraw/zinc/69/90/52/535699052.db2.gz FPYMZLOGNBPURV-AWEZNQCLSA-N 1 0 307.394 2.686 20 5 DFBDRO CCOC(=O)c1coc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000354352460 535718800 /nfs/dbraw/zinc/71/88/00/535718800.db2.gz PRPLIVHAZOQQOA-UHFFFAOYSA-N 1 0 318.329 2.697 20 5 DFBDRO CC[C@@H]([NH2+]CCc1ncc(C)cn1)c1cccc([N+](=O)[O-])c1 ZINC000358360392 535804192 /nfs/dbraw/zinc/80/41/92/535804192.db2.gz CIHXWRIFQAKYCN-OAHLLOKOSA-N 1 0 300.362 2.977 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000360952730 535969787 /nfs/dbraw/zinc/96/97/87/535969787.db2.gz DMJTWQSRUYAAAH-STQMWFEESA-N 1 0 323.441 2.900 20 5 DFBDRO C[NH+](C)Cc1ccccc1C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000362584919 536046060 /nfs/dbraw/zinc/04/60/60/536046060.db2.gz ZXBYACAJMJMXSE-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736135210 598275022 /nfs/dbraw/zinc/27/50/22/598275022.db2.gz OCHUUYLQNACEKR-NSHDSACASA-N 1 0 324.344 2.626 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1-c1nn[nH]n1)c1cccc([N+](=O)[O-])c1 ZINC000824617378 607908194 /nfs/dbraw/zinc/90/81/94/607908194.db2.gz HFKMPIXCKUPQTR-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459272808 299071419 /nfs/dbraw/zinc/07/14/19/299071419.db2.gz XUFWXJNGGYDYEF-ZDUSSCGKSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1Br ZINC000081941469 192343608 /nfs/dbraw/zinc/34/36/08/192343608.db2.gz FDDMVRMWTYWQBQ-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO CCc1nc(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)no1 ZINC000278667703 214312635 /nfs/dbraw/zinc/31/26/35/214312635.db2.gz IZQJSKAHFYYCPI-AWEZNQCLSA-N 1 0 316.361 2.750 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000317332999 231160378 /nfs/dbraw/zinc/16/03/78/231160378.db2.gz XKBHLFDBVUFIRN-NEPJUHHUSA-N 1 0 323.780 2.605 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000278774319 214390896 /nfs/dbraw/zinc/39/08/96/214390896.db2.gz YOXCGDBYLBPABE-OCCSQVGLSA-N 1 0 314.769 2.532 20 5 DFBDRO [NH3+]CCC[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1 ZINC000320224368 231191271 /nfs/dbraw/zinc/19/12/71/231191271.db2.gz TWFDSLVWGAZINO-ZDUSSCGKSA-N 1 0 319.386 2.866 20 5 DFBDRO Cc1cc(C(=O)Nc2cccc3c2C[NH2+]CC3)cc([N+](=O)[O-])c1 ZINC000323853022 231219884 /nfs/dbraw/zinc/21/98/84/231219884.db2.gz PVISBAPMJQDYEG-UHFFFAOYSA-N 1 0 311.341 2.801 20 5 DFBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000330945504 529422926 /nfs/dbraw/zinc/42/29/26/529422926.db2.gz KALUUOOBFTZCSU-CHWSQXEVSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc([N+](=O)[O-])c1 ZINC000322605914 231211921 /nfs/dbraw/zinc/21/19/21/231211921.db2.gz YYJAWQPQUJBRBM-BBRMVZONSA-N 1 0 317.389 2.507 20 5 DFBDRO CCOC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083173128 185215893 /nfs/dbraw/zinc/21/58/93/185215893.db2.gz RJXCBNXOVOLZIZ-GFCCVEGCSA-N 1 0 319.361 2.985 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000591899371 398347023 /nfs/dbraw/zinc/34/70/23/398347023.db2.gz KURQFQPFWWGAIX-KBPBESRZSA-N 1 0 316.405 2.907 20 5 DFBDRO CC(C)[NH2+][C@@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000591902706 398347577 /nfs/dbraw/zinc/34/75/77/398347577.db2.gz DWPUROBOGKTPOT-CQSZACIVSA-N 1 0 318.421 2.835 20 5 DFBDRO Cc1cc(NCCC[N@@H+]2CCCO[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596206764 398356854 /nfs/dbraw/zinc/35/68/54/398356854.db2.gz AEEHYNPOAPJOGK-LLVKDONJSA-N 1 0 313.423 2.878 20 5 DFBDRO C[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596187296 398351274 /nfs/dbraw/zinc/35/12/74/398351274.db2.gz YZWWGOGVKSOFTD-LBPRGKRZSA-N 1 0 316.361 2.628 20 5 DFBDRO CN(c1c(Cl)cncc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000596232393 398363045 /nfs/dbraw/zinc/36/30/45/398363045.db2.gz QPOKZGHYROPLPC-ZACCUICWSA-N 1 0 310.785 2.705 20 5 DFBDRO O=[N+]([O-])c1ccc(Br)cc1N[C@@H]1CCC[NH2+]C1 ZINC000087834903 185232843 /nfs/dbraw/zinc/23/28/43/185232843.db2.gz XXJOVOSULHOWME-SECBINFHSA-N 1 0 300.156 2.521 20 5 DFBDRO O=[N+]([O-])c1ncccc1N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000596253251 398368604 /nfs/dbraw/zinc/36/86/04/398368604.db2.gz ZOXGCCCBRMFBGM-UHFFFAOYSA-N 1 0 312.373 2.748 20 5 DFBDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000237516229 398371829 /nfs/dbraw/zinc/37/18/29/398371829.db2.gz DSRDFRMSVHFOMO-AAEUAGOBSA-N 1 0 319.405 2.844 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008350942 398372193 /nfs/dbraw/zinc/37/21/93/398372193.db2.gz XGOYOXLTAZSMAB-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177674 185284904 /nfs/dbraw/zinc/28/49/04/185284904.db2.gz QVQDUJSQRKDHNB-TZMCWYRMSA-N 1 0 319.405 2.953 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000090177675 185284940 /nfs/dbraw/zinc/28/49/40/185284940.db2.gz QVQDUJSQRKDHNB-GXTWGEPZSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[C@H](NC(=O)NCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000090511619 185299719 /nfs/dbraw/zinc/29/97/19/185299719.db2.gz UWPFKKVJOPSCNM-HNNXBMFYSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090453927 185297266 /nfs/dbraw/zinc/29/72/66/185297266.db2.gz WJYZJUISOWAYPK-BXUZGUMPSA-N 1 0 300.362 2.834 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296758556 529695914 /nfs/dbraw/zinc/69/59/14/529695914.db2.gz BPJXHGUZTXZEER-MRZGDXHCSA-N 1 0 317.389 2.551 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000092456192 185319811 /nfs/dbraw/zinc/31/98/11/185319811.db2.gz DXVYTNUMNXQAOO-CQSZACIVSA-N 1 0 306.362 2.678 20 5 DFBDRO CO[C@H](C)C[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592132499 398389078 /nfs/dbraw/zinc/38/90/78/398389078.db2.gz HMJQMHYZJYAVBG-FVQBIDKESA-N 1 0 322.405 2.735 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](OC(C)C)C2)ccc1[N+](=O)[O-] ZINC000592133374 398389182 /nfs/dbraw/zinc/38/91/82/398389182.db2.gz SZRUYFCVOJEACR-CQSZACIVSA-N 1 0 308.378 2.993 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3cccc(F)c3)CCC2)n1 ZINC000592144286 398391280 /nfs/dbraw/zinc/39/12/80/398391280.db2.gz BTUPLZPCZRKELI-UHFFFAOYSA-N 1 0 304.325 2.599 20 5 DFBDRO [NH3+]C[C@H](Cn1cc([N+](=O)[O-])c(C2CC2)n1)c1ccc(F)cc1 ZINC000592170793 398396712 /nfs/dbraw/zinc/39/67/12/398396712.db2.gz OPNQFTRCUPUKPB-GFCCVEGCSA-N 1 0 304.325 2.550 20 5 DFBDRO COc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592181819 398397939 /nfs/dbraw/zinc/39/79/39/398397939.db2.gz IDOPSTYJMMKZRM-ZDUSSCGKSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1cccc(Cl)c1 ZINC000181410081 199293094 /nfs/dbraw/zinc/29/30/94/199293094.db2.gz IXWYIURSZSJCRV-LLVKDONJSA-N 1 0 321.764 2.761 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000181427676 199295718 /nfs/dbraw/zinc/29/57/18/199295718.db2.gz JPUBNXXCPBBDAK-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c([N+](=O)[O-])c1 ZINC000592199092 398400727 /nfs/dbraw/zinc/40/07/27/398400727.db2.gz WVMWIGNDHMQOQV-OAHLLOKOSA-N 1 0 317.389 2.848 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286626128 219090895 /nfs/dbraw/zinc/09/08/95/219090895.db2.gz SGHCCDLDLRFECB-HUUCEWRRSA-N 1 0 308.378 2.727 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000181537355 199313862 /nfs/dbraw/zinc/31/38/62/199313862.db2.gz FUABHYPKDIHGGJ-MEDUHNTESA-N 1 0 302.330 2.685 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1[N+](=O)[O-] ZINC000592247951 398407715 /nfs/dbraw/zinc/40/77/15/398407715.db2.gz QJBGQPWQAAUETK-SWLSCSKDSA-N 1 0 317.389 2.542 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000066944861 398408635 /nfs/dbraw/zinc/40/86/35/398408635.db2.gz CSKWPYRKSOEGTL-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000181647775 199332449 /nfs/dbraw/zinc/33/24/49/199332449.db2.gz NCDXBXKTHRPXQR-KRWDZBQOSA-N 1 0 316.357 2.951 20 5 DFBDRO CCn1cnnc1CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000085325937 398412943 /nfs/dbraw/zinc/41/29/43/398412943.db2.gz JCLGQAHDKNLIBM-UHFFFAOYSA-N 1 0 317.393 2.662 20 5 DFBDRO CN(CC1C[NH+](C)C1)c1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000596454938 398416290 /nfs/dbraw/zinc/41/62/90/398416290.db2.gz YMRBTFNEEYRVPN-UHFFFAOYSA-N 1 0 307.394 2.770 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C[C@H](C)CC ZINC000592375129 398417065 /nfs/dbraw/zinc/41/70/65/398417065.db2.gz RLTMCAZUMPDPDD-TZMCWYRMSA-N 1 0 310.394 2.880 20 5 DFBDRO CC(C)c1ccc(C[NH2+]CCCc2ncn(C)n2)cc1[N+](=O)[O-] ZINC000592373533 398417338 /nfs/dbraw/zinc/41/73/38/398417338.db2.gz VDMOFPUTQDJHRJ-UHFFFAOYSA-N 1 0 317.393 2.569 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596443440 398413539 /nfs/dbraw/zinc/41/35/39/398413539.db2.gz ZSIAPZUDSKJPCQ-GFCCVEGCSA-N 1 0 320.393 2.837 20 5 DFBDRO Cc1ccccc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1 ZINC000022805511 398420646 /nfs/dbraw/zinc/42/06/46/398420646.db2.gz BRLAIFRWLBDLPE-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(CO)cc1 ZINC000592372408 398417496 /nfs/dbraw/zinc/41/74/96/398417496.db2.gz WHJAMDJIWUGRNX-UHFFFAOYSA-N 1 0 316.357 2.776 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000067232721 398424770 /nfs/dbraw/zinc/42/47/70/398424770.db2.gz ONJUKAJCEHXSGD-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000067265439 398424901 /nfs/dbraw/zinc/42/49/01/398424901.db2.gz ZFGSYDHSAMZCPN-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592427691 398424983 /nfs/dbraw/zinc/42/49/83/398424983.db2.gz QJDQPXSKQDNMIS-IUODEOHRSA-N 1 0 307.394 2.553 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])c(N)c1F ZINC000596486908 398426859 /nfs/dbraw/zinc/42/68/59/398426859.db2.gz BOOGDBDEOCTDFJ-LLVKDONJSA-N 1 0 310.373 2.848 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCS[C@@H]1C ZINC000592397965 398421206 /nfs/dbraw/zinc/42/12/06/398421206.db2.gz HAFXAZLTIJDKSM-GYSYKLTISA-N 1 0 323.418 2.796 20 5 DFBDRO [NH3+]C1CCC(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000592528341 398442703 /nfs/dbraw/zinc/44/27/03/398442703.db2.gz IMLUJXGHWVPGGD-UHFFFAOYSA-N 1 0 319.405 2.551 20 5 DFBDRO C[C@@H](CCCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000088762146 398441524 /nfs/dbraw/zinc/44/15/24/398441524.db2.gz JXVYISYOQQBAAC-NSHDSACASA-N 1 0 321.402 2.969 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CC(N)=O)CC1 ZINC000585796330 398447490 /nfs/dbraw/zinc/44/74/90/398447490.db2.gz QLAHJIVBDUFTKC-CHWSQXEVSA-N 1 0 305.378 2.633 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562681 398447889 /nfs/dbraw/zinc/44/78/89/398447889.db2.gz NTSBFTBVYHPTTM-UHFFFAOYSA-N 1 0 324.812 2.599 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570041 398449984 /nfs/dbraw/zinc/44/99/84/398449984.db2.gz HOXFLFZFTVBUGB-GFCCVEGCSA-N 1 0 324.812 2.599 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000089512642 398456723 /nfs/dbraw/zinc/45/67/23/398456723.db2.gz GJRMBBYISCDFHH-UHFFFAOYSA-N 1 0 318.402 2.810 20 5 DFBDRO C[NH+](C)CCOc1cccc(-c2cc([N+](=O)[O-])ccc2CO)c1 ZINC000596635280 398466354 /nfs/dbraw/zinc/46/63/54/398466354.db2.gz VTKOIANZVTWNKM-UHFFFAOYSA-N 1 0 316.357 2.695 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000587571195 398471932 /nfs/dbraw/zinc/47/19/32/398471932.db2.gz RUTSABUPUQTMGK-JTQLQIEISA-N 1 0 321.406 2.743 20 5 DFBDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028905300 398476829 /nfs/dbraw/zinc/47/68/29/398476829.db2.gz OPNLCQWGWQZZMZ-BETUJISGSA-N 1 0 305.378 2.536 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028905306 398476852 /nfs/dbraw/zinc/47/68/52/398476852.db2.gz OPNLCQWGWQZZMZ-STQMWFEESA-N 1 0 305.378 2.536 20 5 DFBDRO CC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)NC(=O)OC(C)(C)C ZINC000227714499 201804546 /nfs/dbraw/zinc/80/45/46/201804546.db2.gz ZGYXOUDXWOLRCW-CYBMUJFWSA-N 1 0 323.393 2.988 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000068133664 398481106 /nfs/dbraw/zinc/48/11/06/398481106.db2.gz NLSSKNDWQBJXES-MRXNPFEDSA-N 1 0 317.389 2.685 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1C[N@@H+]2CCCC[C@@H]2CO1 ZINC000090145559 398482579 /nfs/dbraw/zinc/48/25/79/398482579.db2.gz QJDSRIQNBUTHFJ-CABCVRRESA-N 1 0 305.378 2.568 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@H](F)C1 ZINC000588231723 398490689 /nfs/dbraw/zinc/49/06/89/398490689.db2.gz YDTJOUKRTJHRCD-MDZLAQPJSA-N 1 0 309.341 2.792 20 5 DFBDRO COC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000090650415 398491143 /nfs/dbraw/zinc/49/11/43/398491143.db2.gz QXZBBFYQOGTSJV-AWEZNQCLSA-N 1 0 322.405 2.701 20 5 DFBDRO CCCN(C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C)C1 ZINC000592829640 398492003 /nfs/dbraw/zinc/49/20/03/398492003.db2.gz TYUNGIFPGCPLIH-CJNGLKHVSA-N 1 0 319.405 2.641 20 5 DFBDRO COC(=O)/C=C/c1ccc(N[C@H](C)CC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000068320718 398494620 /nfs/dbraw/zinc/49/46/20/398494620.db2.gz NXTZVUBSCRFQDO-WAFBPQNNSA-N 1 0 321.377 2.533 20 5 DFBDRO COc1cccc([C@@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000304459575 398504236 /nfs/dbraw/zinc/50/42/36/398504236.db2.gz VSGZMHAQUTYFKK-SJKOYZFVSA-N 1 0 316.357 2.988 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1[N+](=O)[O-] ZINC000588810256 398508594 /nfs/dbraw/zinc/50/85/94/398508594.db2.gz JWQMMHPOXPLNCA-HUUCEWRRSA-N 1 0 319.405 2.931 20 5 DFBDRO CO[C@@H](C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444650535 297243430 /nfs/dbraw/zinc/24/34/30/297243430.db2.gz OZRNKMSKQUHIDG-NSHDSACASA-N 1 0 306.366 2.716 20 5 DFBDRO CC(C)c1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000588828661 398510571 /nfs/dbraw/zinc/51/05/71/398510571.db2.gz QALSWSMEIHAGAH-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000279660698 215040296 /nfs/dbraw/zinc/04/02/96/215040296.db2.gz CNHNSDCDLIPTDT-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000593033383 398525970 /nfs/dbraw/zinc/52/59/70/398525970.db2.gz OXZMVCJZHODGIG-SWHYSGLUSA-N 1 0 304.346 2.660 20 5 DFBDRO CC1(C)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000279687349 215064052 /nfs/dbraw/zinc/06/40/52/215064052.db2.gz HGHORUPETHPFML-AWEZNQCLSA-N 1 0 310.419 2.846 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000091483078 398532583 /nfs/dbraw/zinc/53/25/83/398532583.db2.gz SYTINPPXAFCATA-LBPRGKRZSA-N 1 0 321.377 2.525 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@H](C2CC2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000091481967 398532941 /nfs/dbraw/zinc/53/29/41/398532941.db2.gz WCPKLYLXFMPTEK-HNNXBMFYSA-N 1 0 321.377 2.524 20 5 DFBDRO CCCCOC[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000279714512 215085855 /nfs/dbraw/zinc/08/58/55/215085855.db2.gz KWAQVENFKKNHGS-HOTGVXAUSA-N 1 0 310.394 2.813 20 5 DFBDRO Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)cccc1[N+](=O)[O-] ZINC000032663122 398535061 /nfs/dbraw/zinc/53/50/61/398535061.db2.gz ZFQRALKCVHJGMH-LBPRGKRZSA-N 1 0 305.378 2.507 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc32)C1 ZINC000068902691 398536418 /nfs/dbraw/zinc/53/64/18/398536418.db2.gz UACLKGCQFXVSNG-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000032731445 398537197 /nfs/dbraw/zinc/53/71/97/398537197.db2.gz MWNHNTOWHYGXHU-STQMWFEESA-N 1 0 305.378 2.588 20 5 DFBDRO Cc1c(CNC(=O)C[C@@H](C[NH3+])CC(C)C)cccc1[N+](=O)[O-] ZINC000318159403 398537615 /nfs/dbraw/zinc/53/76/15/398537615.db2.gz JFVHFTUDCVFYLO-ZDUSSCGKSA-N 1 0 307.394 2.531 20 5 DFBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000593075033 398538973 /nfs/dbraw/zinc/53/89/73/398538973.db2.gz JXGRITNGKJFZAH-DGCLKSJQSA-N 1 0 305.334 2.783 20 5 DFBDRO C[C@H](CO)C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000593083646 398540764 /nfs/dbraw/zinc/54/07/64/398540764.db2.gz KICHEVPQRWGAGV-LLVKDONJSA-N 1 0 319.361 2.576 20 5 DFBDRO C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccc(F)cc21 ZINC000593118980 398550354 /nfs/dbraw/zinc/55/03/54/398550354.db2.gz XTZPJJFBWRSRCQ-GFCCVEGCSA-N 1 0 318.352 2.592 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000321134904 398551642 /nfs/dbraw/zinc/55/16/42/398551642.db2.gz ULHKISTZPPOUDL-UKRRQHHQSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950650 398555610 /nfs/dbraw/zinc/55/56/10/398555610.db2.gz GUIFUGKLMRYABV-CABCVRRESA-N 1 0 319.405 2.567 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322025004 398555686 /nfs/dbraw/zinc/55/56/86/398555686.db2.gz VVYYQWXRVYJTJJ-IUODEOHRSA-N 1 0 318.377 2.591 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCOc1ccccc1[N+](=O)[O-] ZINC000286970226 219250644 /nfs/dbraw/zinc/25/06/44/219250644.db2.gz PHKYXPRPJLJSCB-GJZGRUSLSA-N 1 0 319.405 2.532 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000589506121 398558951 /nfs/dbraw/zinc/55/89/51/398558951.db2.gz XKMHJNNFKDLURH-CYBMUJFWSA-N 1 0 306.362 2.859 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@H+](C)CCCSC)c1 ZINC000589515902 398558981 /nfs/dbraw/zinc/55/89/81/398558981.db2.gz RQDLZZDSTLJQAH-UHFFFAOYSA-N 1 0 312.391 2.566 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000287001383 219263678 /nfs/dbraw/zinc/26/36/78/219263678.db2.gz QYYCQWPKBAJPRO-YOEHRIQHSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H]1CN(Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC[NH2+]1 ZINC000092456801 398577620 /nfs/dbraw/zinc/57/76/20/398577620.db2.gz OBVQAZKIBJKJMQ-LLVKDONJSA-N 1 0 318.402 2.512 20 5 DFBDRO Cc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000130147870 185940631 /nfs/dbraw/zinc/94/06/31/185940631.db2.gz VAOLXVYNVYDLGO-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000092609699 398587534 /nfs/dbraw/zinc/58/75/34/398587534.db2.gz JDYHMKOWICILTI-GXTWGEPZSA-N 1 0 309.341 2.781 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000597204603 398590214 /nfs/dbraw/zinc/59/02/14/398590214.db2.gz JRAREBNVLJUMRQ-GPCFVJJQSA-N 1 0 302.374 2.845 20 5 DFBDRO Cc1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])nn1C ZINC000414428331 295799991 /nfs/dbraw/zinc/79/99/91/295799991.db2.gz KGSAPSHVBMKLFM-UHFFFAOYSA-N 1 0 308.769 2.622 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052592 398592582 /nfs/dbraw/zinc/59/25/82/398592582.db2.gz FMJSEPOLXZWGHO-PBHICJAKSA-N 1 0 303.406 2.854 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000590083850 398594728 /nfs/dbraw/zinc/59/47/28/398594728.db2.gz XGNHMBDXJWYSAX-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1cc(N(CC[NH+](C)C)Cc2ccccn2)ccc1[N+](=O)[O-] ZINC000092686586 398594776 /nfs/dbraw/zinc/59/47/76/398594776.db2.gz VRPQNKRUOAHMSF-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO COC(=O)[C@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000597220706 398595055 /nfs/dbraw/zinc/59/50/55/398595055.db2.gz FZDDPVDBCPAHIC-JKCCJBJRSA-N 1 0 304.346 2.539 20 5 DFBDRO COc1cc(N2CC[C@H](C[NH+]3CCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000590135991 398599420 /nfs/dbraw/zinc/59/94/20/398599420.db2.gz PVTBJDRDJYWJNK-GFCCVEGCSA-N 1 0 323.368 2.665 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000597236487 398600668 /nfs/dbraw/zinc/60/06/68/398600668.db2.gz QRIXUWRSAXKWHT-CKEAKTESSA-N 1 0 304.390 2.948 20 5 DFBDRO COc1cc(C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)ccc1[N+](=O)[O-] ZINC000459683310 299164194 /nfs/dbraw/zinc/16/41/94/299164194.db2.gz TXYFLKQRTIJDFO-HIFRSBDPSA-N 1 0 318.373 2.604 20 5 DFBDRO Cc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000043148010 398614688 /nfs/dbraw/zinc/61/46/88/398614688.db2.gz XKCATTOILKVLDY-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000072521786 398619072 /nfs/dbraw/zinc/61/90/72/398619072.db2.gz VVZHSFJACISSTN-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000072522046 398619313 /nfs/dbraw/zinc/61/93/13/398619313.db2.gz WOYMEGYRPALAIJ-ZDUSSCGKSA-N 1 0 302.334 2.832 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000152690405 186097305 /nfs/dbraw/zinc/09/73/05/186097305.db2.gz CLOQRYNCLUJMHW-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO CC(C)[NH+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)CC1 ZINC000593456397 398634058 /nfs/dbraw/zinc/63/40/58/398634058.db2.gz CGNCGHJMXDXWBC-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO CC[N@@H+]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C[C@@H]1C ZINC000593465890 398637459 /nfs/dbraw/zinc/63/74/59/398637459.db2.gz QVQIVYZCPFXKNW-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173309330 186175003 /nfs/dbraw/zinc/17/50/03/186175003.db2.gz IQCCXRFREYVDFR-CJNGLKHVSA-N 1 0 316.357 2.685 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)[C@@H]1C ZINC000177868077 186196351 /nfs/dbraw/zinc/19/63/51/186196351.db2.gz UWDFGOFJVCOZNV-GHMZBOCLSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)c(C[NH+](C)C)c1 ZINC000072840023 398640756 /nfs/dbraw/zinc/64/07/56/398640756.db2.gz SMWATHMAMVSVGH-UHFFFAOYSA-N 1 0 302.334 2.545 20 5 DFBDRO CCOc1ccccc1[C@@H](CC)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000179733025 186211351 /nfs/dbraw/zinc/21/13/51/186211351.db2.gz JLZOZLDLMOIJIH-CQSZACIVSA-N 1 0 318.377 2.931 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000414655386 295812545 /nfs/dbraw/zinc/81/25/45/295812545.db2.gz HGYRPSCELZUGSS-OAHLLOKOSA-N 1 0 308.382 2.788 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000072873349 398643879 /nfs/dbraw/zinc/64/38/79/398643879.db2.gz AQXIEISFDRFKMD-TXEJJXNPSA-N 1 0 321.377 2.520 20 5 DFBDRO COc1ccc(NC(=O)CC[NH+]2C[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072871770 398644105 /nfs/dbraw/zinc/64/41/05/398644105.db2.gz OQHYGQJJTSIDJY-VXGBXAGGSA-N 1 0 321.377 2.520 20 5 DFBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000191826663 186260177 /nfs/dbraw/zinc/26/01/77/186260177.db2.gz UKHWJPXRMZFWEM-HIFRSBDPSA-N 1 0 307.394 2.705 20 5 DFBDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000191860964 186266117 /nfs/dbraw/zinc/26/61/17/186266117.db2.gz WHXJXCWTMACAQZ-OAHLLOKOSA-N 1 0 317.389 2.652 20 5 DFBDRO Cc1sc(C(=O)N(C)CC2([NH+](C)C)CCC2)cc1[N+](=O)[O-] ZINC000188032743 186246822 /nfs/dbraw/zinc/24/68/22/186246822.db2.gz SNRKDGOIPZGNFJ-UHFFFAOYSA-N 1 0 311.407 2.521 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000590657714 398646533 /nfs/dbraw/zinc/64/65/33/398646533.db2.gz OMYTUTCEJNXEFL-RKWPFYGESA-N 1 0 304.346 2.539 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccco1 ZINC000266838236 186354947 /nfs/dbraw/zinc/35/49/47/186354947.db2.gz GAOICBVBHMJXID-NSHDSACASA-N 1 0 308.313 2.624 20 5 DFBDRO Cc1c(NC(=O)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000414691379 295816711 /nfs/dbraw/zinc/81/67/11/295816711.db2.gz BLCWOYVIUOBOTL-ZDUSSCGKSA-N 1 0 306.366 2.542 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282098611 186531466 /nfs/dbraw/zinc/53/14/66/186531466.db2.gz PCCLPEFADANQLP-MRXNPFEDSA-N 1 0 320.389 2.913 20 5 DFBDRO C[NH2+]Cc1ccccc1NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000414857711 295827054 /nfs/dbraw/zinc/82/70/54/295827054.db2.gz FJAJEKOCPFYIKJ-UHFFFAOYSA-N 1 0 301.346 2.935 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CC(F)(F)C1 ZINC000277224916 213379177 /nfs/dbraw/zinc/37/91/77/213379177.db2.gz YCGZHKICNRIKRX-VIFPVBQESA-N 1 0 313.304 2.699 20 5 DFBDRO CCNC(=O)C1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000277223579 213376504 /nfs/dbraw/zinc/37/65/04/213376504.db2.gz LMRXJBYTZGTDES-ZDUSSCGKSA-N 1 0 319.405 2.860 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000172170305 198052174 /nfs/dbraw/zinc/05/21/74/198052174.db2.gz VPXDIHFPZUWJIY-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO COC(=O)C1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000266787097 290940057 /nfs/dbraw/zinc/94/00/57/290940057.db2.gz ONOOFXZUGXTWMZ-HIFPTAJRSA-N 1 0 306.362 2.977 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000287216175 219387206 /nfs/dbraw/zinc/38/72/06/219387206.db2.gz XFOOPTZMHAKNEL-GFCCVEGCSA-N 1 0 306.362 2.991 20 5 DFBDRO CCC[C@@H]([NH2+]CC(C)(C)OCCO)c1cccc([N+](=O)[O-])c1 ZINC000287226792 219392824 /nfs/dbraw/zinc/39/28/24/219392824.db2.gz GKJLJVCNCFORAR-OAHLLOKOSA-N 1 0 310.394 2.813 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000459767636 299186782 /nfs/dbraw/zinc/18/67/82/299186782.db2.gz ASIRSUGVLFWUHJ-LSDHHAIUSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H](CO)CCF ZINC000593687370 398671092 /nfs/dbraw/zinc/67/10/92/398671092.db2.gz SFLSKCWMYFSVLK-NWANDNLSSA-N 1 0 310.369 2.616 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)C12CCC2 ZINC000459771154 299188110 /nfs/dbraw/zinc/18/81/10/299188110.db2.gz RMSAOBQCEPTHKF-KBPBESRZSA-N 1 0 312.316 2.920 20 5 DFBDRO Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000172832589 198155514 /nfs/dbraw/zinc/15/55/14/198155514.db2.gz QQJXOWSBSLYWGQ-HNNXBMFYSA-N 1 0 319.405 2.850 20 5 DFBDRO COCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000172771580 198147745 /nfs/dbraw/zinc/14/77/45/198147745.db2.gz QYXXRQONKPSVMW-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CCF ZINC000593719019 398677054 /nfs/dbraw/zinc/67/70/54/398677054.db2.gz TXFXSZZBHAOHNZ-NWDGAFQWSA-N 1 0 316.398 2.776 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000597667803 398677585 /nfs/dbraw/zinc/67/75/85/398677585.db2.gz RPEKGKSZWRUUQU-AAEUAGOBSA-N 1 0 305.378 2.880 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000172980873 198172943 /nfs/dbraw/zinc/17/29/43/198172943.db2.gz VVCVDBBBXIIZEO-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO CC(C)CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000045751852 398682579 /nfs/dbraw/zinc/68/25/79/398682579.db2.gz ZRJQHLCTVLZICK-MRXNPFEDSA-N 1 0 322.405 2.845 20 5 DFBDRO O=C(CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000459789553 299193469 /nfs/dbraw/zinc/19/34/69/299193469.db2.gz RNPSHAYXHKIREE-UGFHNGPFSA-N 1 0 303.362 2.702 20 5 DFBDRO COc1ccc(OCC[N@H+](C)Cc2ccco2)c([N+](=O)[O-])c1 ZINC000173459269 198216413 /nfs/dbraw/zinc/21/64/13/198216413.db2.gz NKDQZOQATZCNBI-UHFFFAOYSA-N 1 0 306.318 2.707 20 5 DFBDRO O=C(C[N@@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1ccccc1[N+](=O)[O-] ZINC000173560522 198227297 /nfs/dbraw/zinc/22/72/97/198227297.db2.gz MLTQJZAWPVPEJZ-JSGCOSHPSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000174178405 198301679 /nfs/dbraw/zinc/30/16/79/198301679.db2.gz YSANJGHRDGBRKF-WCQYABFASA-N 1 0 306.366 2.541 20 5 DFBDRO [NH3+]CC12CCC(CC1)CN2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000593910709 398703098 /nfs/dbraw/zinc/70/30/98/398703098.db2.gz OSIVKSOBWUAILK-UHFFFAOYSA-N 1 0 323.780 2.592 20 5 DFBDRO [NH3+]CC1(CCNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 ZINC000593914747 398703186 /nfs/dbraw/zinc/70/31/86/398703186.db2.gz QJRMIQQKGJAYAV-UHFFFAOYSA-N 1 0 319.386 2.668 20 5 DFBDRO CCc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859774 398706187 /nfs/dbraw/zinc/70/61/87/398706187.db2.gz XMXSCTRUTIXUPB-CQSZACIVSA-N 1 0 319.405 2.760 20 5 DFBDRO Cc1ccc([C@@H]2CCCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)o1 ZINC000174874061 198395608 /nfs/dbraw/zinc/39/56/08/198395608.db2.gz MFGWRIISXICGNG-AWEZNQCLSA-N 1 0 304.350 2.920 20 5 DFBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C12CCC2 ZINC000590971462 398710878 /nfs/dbraw/zinc/71/08/78/398710878.db2.gz QWOIQUVZCBNAPC-ZIAGYGMSSA-N 1 0 317.345 2.783 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415262103 295873207 /nfs/dbraw/zinc/87/32/07/295873207.db2.gz AQJZEVXYMVBRTE-RYUDHWBXSA-N 1 0 306.366 2.603 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415289877 295875486 /nfs/dbraw/zinc/87/54/86/295875486.db2.gz CHSROCMYLLQVHK-CYBMUJFWSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000415293983 295875788 /nfs/dbraw/zinc/87/57/88/295875788.db2.gz JXWUACQHBAYEPY-GFCCVEGCSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415299598 295875995 /nfs/dbraw/zinc/87/59/95/295875995.db2.gz QIZOONSOFKHLKG-CHWSQXEVSA-N 1 0 320.393 2.851 20 5 DFBDRO COc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046827 213260290 /nfs/dbraw/zinc/26/02/90/213260290.db2.gz PUZZNRIPNXADBE-YPMHNXCESA-N 1 0 323.368 2.663 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597924915 398722274 /nfs/dbraw/zinc/72/22/74/398722274.db2.gz UZMQFPNQLXAYNX-LBPRGKRZSA-N 1 0 305.378 2.506 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000129190412 283005192 /nfs/dbraw/zinc/00/51/92/283005192.db2.gz DSNLEZMAJSMBEL-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1cc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)ccc1[N+](=O)[O-] ZINC000415411146 295882031 /nfs/dbraw/zinc/88/20/31/295882031.db2.gz ASLVBZPYPWNVAU-OAHLLOKOSA-N 1 0 308.382 2.788 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415477502 295885849 /nfs/dbraw/zinc/88/58/49/295885849.db2.gz BICUSDKBUWNKNH-MEBBXXQBSA-N 1 0 320.393 2.803 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2OC)c([N+](=O)[O-])c1 ZINC000277002989 213233116 /nfs/dbraw/zinc/23/31/16/213233116.db2.gz OPHWYCOIONPKSN-UKRRQHHQSA-N 1 0 324.377 2.529 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415486853 295886917 /nfs/dbraw/zinc/88/69/17/295886917.db2.gz SFAQPTKLJZRZQQ-UHFFFAOYSA-N 1 0 320.393 2.995 20 5 DFBDRO CNC(=O)CC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182820265 199495393 /nfs/dbraw/zinc/49/53/93/199495393.db2.gz PDTCSAJKNZBMDR-CYBMUJFWSA-N 1 0 319.405 2.812 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000415487779 295887199 /nfs/dbraw/zinc/88/71/99/295887199.db2.gz UPEKXNNXFGYCIT-STQMWFEESA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000415584301 295892026 /nfs/dbraw/zinc/89/20/26/295892026.db2.gz SJLBCZMONOZCCD-ZUZCIYMTSA-N 1 0 320.393 2.803 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000046992024 398730067 /nfs/dbraw/zinc/73/00/67/398730067.db2.gz AYLRKCIASUFZQR-AWEZNQCLSA-N 1 0 319.405 2.837 20 5 DFBDRO CCOc1cc(CN(C)CC[N@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000276987841 213222151 /nfs/dbraw/zinc/22/21/51/213222151.db2.gz ZMSVKHSQKZVLKT-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000047119615 398737358 /nfs/dbraw/zinc/73/73/58/398737358.db2.gz FSYLZWNNDYCOSF-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO COc1ccc(NC(=O)C[NH2+][C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000074318549 398739818 /nfs/dbraw/zinc/73/98/18/398739818.db2.gz IYZPIASZKYYLQC-SNVBAGLBSA-N 1 0 309.366 2.566 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cccc([N+](=O)[O-])c1 ZINC000591243863 398741858 /nfs/dbraw/zinc/74/18/58/398741858.db2.gz CZMHNXRZYCRJJG-UKRRQHHQSA-N 1 0 305.378 2.552 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)cc1C)[C@H]1CC[N@H+](CC)C1 ZINC000598041421 398741998 /nfs/dbraw/zinc/74/19/98/398741998.db2.gz UIRLHXHYXUXJNB-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO COc1cc(N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000114009654 398743060 /nfs/dbraw/zinc/74/30/60/398743060.db2.gz NIOXJCJXTQMUOD-UHFFFAOYSA-N 1 0 305.378 2.668 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC(C)([NH3+])CC1 ZINC000591307974 398746631 /nfs/dbraw/zinc/74/66/31/398746631.db2.gz SQOOWTICJAZZMK-UHFFFAOYSA-N 1 0 306.366 2.502 20 5 DFBDRO COc1ccccc1[C@@H]([NH3+])CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000591424421 398758844 /nfs/dbraw/zinc/75/88/44/398758844.db2.gz DVGYNDXZYOQNFF-ZDUSSCGKSA-N 1 0 316.361 2.727 20 5 DFBDRO Cc1cc(N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000591434931 398759864 /nfs/dbraw/zinc/75/98/64/398759864.db2.gz NDMFIMJBRNFWJH-UBHSHLNASA-N 1 0 312.373 2.625 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000080160971 192008472 /nfs/dbraw/zinc/00/84/72/192008472.db2.gz YBWLKKDVZIHJRF-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591440789 398761673 /nfs/dbraw/zinc/76/16/73/398761673.db2.gz NYIXBVRJUMEBQN-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000591446224 398762072 /nfs/dbraw/zinc/76/20/72/398762072.db2.gz UTWTUYYQZQLVEK-RHSMWYFYSA-N 1 0 319.405 2.626 20 5 DFBDRO Cc1nc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591441674 398761495 /nfs/dbraw/zinc/76/14/95/398761495.db2.gz DBOOSMTZFJYMHI-UONOGXRCSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cccc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1[N+](=O)[O-] ZINC000594199264 398764297 /nfs/dbraw/zinc/76/42/97/398764297.db2.gz ITCYHRGERCJEHL-GJZGRUSLSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(F)cc2[N+](=O)[O-])C1 ZINC000074772846 398765516 /nfs/dbraw/zinc/76/55/16/398765516.db2.gz HNZVFLARSHOTSG-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc([N+](=O)[O-])c1 ZINC000594203898 398765559 /nfs/dbraw/zinc/76/55/59/398765559.db2.gz VIWAJNDHEAQGRD-HZPDHXFCSA-N 1 0 317.389 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@H](O)CC23CCC3)cc1 ZINC000591480110 398767593 /nfs/dbraw/zinc/76/75/93/398767593.db2.gz FEDCYOWEKPOXGT-HNNXBMFYSA-N 1 0 320.389 2.743 20 5 DFBDRO Cc1cccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000177538398 198741938 /nfs/dbraw/zinc/74/19/38/198741938.db2.gz GJOSBTPRYFWFLQ-OLZOCXBDSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000591529607 398770028 /nfs/dbraw/zinc/77/00/28/398770028.db2.gz XCGRGSKFELISRY-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598218517 398772606 /nfs/dbraw/zinc/77/26/06/398772606.db2.gz HAGWWKCGULZMRW-AWEZNQCLSA-N 1 0 317.389 2.732 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000598218518 398772975 /nfs/dbraw/zinc/77/29/75/398772975.db2.gz HAGWWKCGULZMRW-CQSZACIVSA-N 1 0 317.389 2.732 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]CCNC1CC1 ZINC000591577312 398773203 /nfs/dbraw/zinc/77/32/03/398773203.db2.gz OUPVVBNTVHUDFE-CJNGLKHVSA-N 1 0 303.406 2.648 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568255 192292639 /nfs/dbraw/zinc/29/26/39/192292639.db2.gz YOXXAEHMHRBWEQ-OAHLLOKOSA-N 1 0 321.421 2.637 20 5 DFBDRO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000598260312 398779568 /nfs/dbraw/zinc/77/95/68/398779568.db2.gz AILCBIIURQSPOM-NSHDSACASA-N 1 0 311.407 2.507 20 5 DFBDRO CCc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1[N+](=O)[O-] ZINC000236965157 202097434 /nfs/dbraw/zinc/09/74/34/202097434.db2.gz BWSUFVPRVCGPOB-INIZCTEOSA-N 1 0 307.394 2.651 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC000135279857 283214103 /nfs/dbraw/zinc/21/41/03/283214103.db2.gz SIAWVVKBOHTVPQ-NSHDSACASA-N 1 0 321.377 2.662 20 5 DFBDRO CCOc1cc(C[N@H+](CC)C[C@H]2CCCO2)ccc1[N+](=O)[O-] ZINC000276884774 213155149 /nfs/dbraw/zinc/15/51/49/213155149.db2.gz JERBNUJNJJIAGC-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)C(=O)c1cc(C)cc([N+](=O)[O-])c1 ZINC000287216391 283240601 /nfs/dbraw/zinc/24/06/01/283240601.db2.gz IOEFEBFSDVWUKW-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276859366 213138174 /nfs/dbraw/zinc/13/81/74/213138174.db2.gz GCGDSIMQJNPCCH-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000276856087 213136209 /nfs/dbraw/zinc/13/62/09/213136209.db2.gz FOVXCQUBHSOPCW-HNNXBMFYSA-N 1 0 308.378 2.586 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000151448169 283284847 /nfs/dbraw/zinc/28/48/47/283284847.db2.gz VOPNMJZEMKMINQ-HZPDHXFCSA-N 1 0 310.394 2.669 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000594508521 398812605 /nfs/dbraw/zinc/81/26/05/398812605.db2.gz COCOZCVNFPWXDC-BYNSBNAKSA-N 1 0 321.421 2.743 20 5 DFBDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000050995338 398815714 /nfs/dbraw/zinc/81/57/14/398815714.db2.gz RVPHJFLOAGVTGS-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000598466197 398817834 /nfs/dbraw/zinc/81/78/34/398817834.db2.gz NKRTYMUCYFBJOB-UHFFFAOYSA-N 1 0 313.423 2.815 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000598466168 398817881 /nfs/dbraw/zinc/81/78/81/398817881.db2.gz MMUCORKBRNZXFF-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000075712464 398818441 /nfs/dbraw/zinc/81/84/41/398818441.db2.gz NNXIFYYIRKYPJR-STQMWFEESA-N 1 0 306.362 2.741 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594596988 398827680 /nfs/dbraw/zinc/82/76/80/398827680.db2.gz BTIWZXZDVJEGSR-QWHCGFSZSA-N 1 0 307.398 2.548 20 5 DFBDRO CCC(CC)[C@H](CNc1c([N+](=O)[O-])c(C)nn1C)[NH+]1CCCC1 ZINC000051654831 398824749 /nfs/dbraw/zinc/82/47/49/398824749.db2.gz CMWRHDKXYMMQKY-AWEZNQCLSA-N 1 0 323.441 2.949 20 5 DFBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCOCC1 ZINC000179855969 199089253 /nfs/dbraw/zinc/08/92/53/199089253.db2.gz DEAYDLAKIYXARJ-JTQLQIEISA-N 1 0 305.334 2.641 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000594592263 398825588 /nfs/dbraw/zinc/82/55/88/398825588.db2.gz OXNLCNKKVNVUTD-MCIONIFRSA-N 1 0 322.409 2.516 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)N1C[C@@H](C)O[C@@H](C)C1 ZINC000594590813 398825807 /nfs/dbraw/zinc/82/58/07/398825807.db2.gz CKJKUXHQWFKUPT-UTUOFQBUSA-N 1 0 311.357 2.644 20 5 DFBDRO Cc1cc(NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000594592540 398826357 /nfs/dbraw/zinc/82/63/57/398826357.db2.gz QRORKAXSXSSRMG-MCIONIFRSA-N 1 0 307.394 2.813 20 5 DFBDRO COC(=O)C[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000179888822 199091638 /nfs/dbraw/zinc/09/16/38/199091638.db2.gz QZMBHYKJXCMGDX-GBXSZLQWSA-N 1 0 304.346 2.636 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2c1 ZINC000594599335 398828592 /nfs/dbraw/zinc/82/85/92/398828592.db2.gz JGUNYOZCRIIIMT-UKRRQHHQSA-N 1 0 315.377 2.900 20 5 DFBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CS1 ZINC000594615902 398834481 /nfs/dbraw/zinc/83/44/81/398834481.db2.gz XIDKQQYJRJUHMW-NXEZZACHSA-N 1 0 306.391 2.845 20 5 DFBDRO COC(=O)CCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594606119 398830863 /nfs/dbraw/zinc/83/08/63/398830863.db2.gz FMXVZRLRSSISIH-CQSZACIVSA-N 1 0 306.362 2.905 20 5 DFBDRO C[C@H]1C[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)C[C@@H]1C ZINC000076114015 398841070 /nfs/dbraw/zinc/84/10/70/398841070.db2.gz VWKFPDKNSDZREV-QWRGUYRKSA-N 1 0 302.334 2.733 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000594659458 398838760 /nfs/dbraw/zinc/83/87/60/398838760.db2.gz ZRKNHZIDSCDFFV-UHFFFAOYSA-N 1 0 319.405 2.942 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccc(F)cc1 ZINC000052486053 398841946 /nfs/dbraw/zinc/84/19/46/398841946.db2.gz WFTQFCYMSDFFLM-CQSZACIVSA-N 1 0 304.325 2.844 20 5 DFBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000180188589 199128874 /nfs/dbraw/zinc/12/88/74/199128874.db2.gz XSXPGHXPALJFCI-MRXNPFEDSA-N 1 0 302.330 2.812 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000594696812 398843689 /nfs/dbraw/zinc/84/36/89/398843689.db2.gz MFZBGLZHXFGCAP-ZDUSSCGKSA-N 1 0 307.369 2.950 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000594693662 398844193 /nfs/dbraw/zinc/84/41/93/398844193.db2.gz RGWOXQNISAMRQM-ZDUSSCGKSA-N 1 0 307.369 2.950 20 5 DFBDRO C[NH+](C)CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000076169777 398845315 /nfs/dbraw/zinc/84/53/15/398845315.db2.gz KWXFQENREBBYDW-UHFFFAOYSA-N 1 0 313.357 2.951 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598647515 398847583 /nfs/dbraw/zinc/84/75/83/398847583.db2.gz NGAWINSLWHWSQK-AWEZNQCLSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(N)c1 ZINC000594734730 398852227 /nfs/dbraw/zinc/85/22/27/398852227.db2.gz DBFGIIGGFKMYGB-UHFFFAOYSA-N 1 0 301.346 2.866 20 5 DFBDRO C[C@@]1(C[NH2+]CCC(=O)Nc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594733508 398851248 /nfs/dbraw/zinc/85/12/48/398851248.db2.gz WSYSOASEPZQCTN-ZDUSSCGKSA-N 1 0 313.304 2.558 20 5 DFBDRO CCCN(CCC)C(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180427154 199157542 /nfs/dbraw/zinc/15/75/42/199157542.db2.gz FSHBSMRYFSMBJF-CYBMUJFWSA-N 1 0 307.394 2.894 20 5 DFBDRO C[C@H]([NH2+]CC(=O)NCc1cccs1)c1cccc([N+](=O)[O-])c1 ZINC000180426378 199157660 /nfs/dbraw/zinc/15/76/60/199157660.db2.gz NPJMKCJAWBOELQ-NSHDSACASA-N 1 0 319.386 2.623 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000180435678 199158024 /nfs/dbraw/zinc/15/80/24/199158024.db2.gz AYDPCRNKRYXPBX-HEHGZKQESA-N 1 0 319.405 2.940 20 5 DFBDRO CCCCCCNC(=O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180442650 199159694 /nfs/dbraw/zinc/15/96/94/199159694.db2.gz ITJMOYMREZKQRB-CYBMUJFWSA-N 1 0 307.394 2.942 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000598678385 398854252 /nfs/dbraw/zinc/85/42/52/398854252.db2.gz XDZPKHYTUMYJCZ-AFYSSFTJSA-N 1 0 304.390 2.948 20 5 DFBDRO Cc1c(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000237301175 202223202 /nfs/dbraw/zinc/22/32/02/202223202.db2.gz PKLWDWGYULTOTJ-WCQYABFASA-N 1 0 305.378 2.868 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000076679846 398865377 /nfs/dbraw/zinc/86/53/77/398865377.db2.gz WQKASZZQZHWGMX-UHFFFAOYSA-N 1 0 319.405 2.664 20 5 DFBDRO CCCN(C)c1ccc([N+](=O)[O-])c(NC(=O)C[N@H+](C)CCC)c1 ZINC000153146859 283354780 /nfs/dbraw/zinc/35/47/80/283354780.db2.gz VLMRQLXSANLSGM-UHFFFAOYSA-N 1 0 322.409 2.721 20 5 DFBDRO Cn1ncc(C2CCC2)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594919028 398870837 /nfs/dbraw/zinc/87/08/37/398870837.db2.gz VPWXBTWFCRGCAF-UHFFFAOYSA-N 1 0 300.362 2.886 20 5 DFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000053580473 398878012 /nfs/dbraw/zinc/87/80/12/398878012.db2.gz YKSGBGYEHBBLJN-JSGCOSHPSA-N 1 0 315.377 2.576 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000076925888 398875844 /nfs/dbraw/zinc/87/58/44/398875844.db2.gz JOSIJVOJTDLCEY-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)c2ccccn2)c([N+](=O)[O-])cc1O ZINC000594955171 398880839 /nfs/dbraw/zinc/88/08/39/398880839.db2.gz OQEYNDHDHQMXRF-LLVKDONJSA-N 1 0 317.345 2.597 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2COc3cc(F)ccc3C2)cs1 ZINC000594977541 398885725 /nfs/dbraw/zinc/88/57/25/398885725.db2.gz LEPTWTANDFNNJL-GFCCVEGCSA-N 1 0 308.334 2.889 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000594996894 398888643 /nfs/dbraw/zinc/88/86/43/398888643.db2.gz VEJJMCYUHWEFBT-ZDUSSCGKSA-N 1 0 308.378 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCN2Cc2ccccc2)cc1 ZINC000594999205 398888831 /nfs/dbraw/zinc/88/88/31/398888831.db2.gz QIEKPPOSVWZUNH-GOSISDBHSA-N 1 0 311.385 2.959 20 5 DFBDRO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004457 398889291 /nfs/dbraw/zinc/88/92/91/398889291.db2.gz ADXUQCFSYNWORF-NEPJUHHUSA-N 1 0 323.393 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000595006034 398890279 /nfs/dbraw/zinc/89/02/79/398890279.db2.gz FFZYEBBRDATMTO-OLZOCXBDSA-N 1 0 319.405 2.738 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1nccs1 ZINC000595015493 398891966 /nfs/dbraw/zinc/89/19/66/398891966.db2.gz OJHICFWIBNRQQX-JTQLQIEISA-N 1 0 307.375 2.953 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000595013631 398891971 /nfs/dbraw/zinc/89/19/71/398891971.db2.gz QMZRULQYIIZFBU-APHBMKBZSA-N 1 0 319.405 2.881 20 5 DFBDRO C[S@](=O)C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000280763875 215850559 /nfs/dbraw/zinc/85/05/59/215850559.db2.gz YXZYRKUBKNDOIL-FQEVSTJZSA-N 1 0 316.810 2.639 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000595016030 398892432 /nfs/dbraw/zinc/89/24/32/398892432.db2.gz GJOPCVDYHNBTKJ-GXTWGEPZSA-N 1 0 319.405 2.738 20 5 DFBDRO C[C@H]1CC2(CN1C(=O)Nc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000598914026 398892735 /nfs/dbraw/zinc/89/27/35/398892735.db2.gz VPZQEOANPAALBL-LBPRGKRZSA-N 1 0 318.377 2.591 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000595018311 398892822 /nfs/dbraw/zinc/89/28/22/398892822.db2.gz MFVXSUOHNDYWTK-UPJWGTAASA-N 1 0 308.378 2.805 20 5 DFBDRO C[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000051209137 425882950 /nfs/dbraw/zinc/88/29/50/425882950.db2.gz PZHFHZZRLGMCGD-ZDUSSCGKSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000595023750 398894290 /nfs/dbraw/zinc/89/42/90/398894290.db2.gz YCFRBQMKUUAHKK-ZYHUDNBSSA-N 1 0 316.361 2.535 20 5 DFBDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000054286987 398894779 /nfs/dbraw/zinc/89/47/79/398894779.db2.gz WELQYGVGUSLKRG-ZDUSSCGKSA-N 1 0 319.405 2.835 20 5 DFBDRO COC[C@@H](CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000595058456 398899242 /nfs/dbraw/zinc/89/92/42/398899242.db2.gz ARYUEOKDZUCCKT-CZUORRHYSA-N 1 0 322.405 2.958 20 5 DFBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595054958 398899220 /nfs/dbraw/zinc/89/92/20/398899220.db2.gz QPWFAGIDPVIUFF-CHWSQXEVSA-N 1 0 309.410 2.984 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595060316 398899505 /nfs/dbraw/zinc/89/95/05/398899505.db2.gz GNCSMDOXYGOREF-UOJCXKCYSA-N 1 0 322.405 2.812 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCOC1 ZINC000595059769 398899585 /nfs/dbraw/zinc/89/95/85/398899585.db2.gz IJKUDWCPNFBKMA-WOSRLPQWSA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000595061196 398900515 /nfs/dbraw/zinc/90/05/15/398900515.db2.gz QXZWZZYCVCNOHS-YSVLISHTSA-N 1 0 322.405 2.557 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCO[C@H]1CC1(F)F ZINC000595066983 398901002 /nfs/dbraw/zinc/90/10/02/398901002.db2.gz CSWJZCLRJSSEMY-FZMZJTMJSA-N 1 0 314.332 2.930 20 5 DFBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000595065700 398901109 /nfs/dbraw/zinc/90/11/09/398901109.db2.gz JWFARWARWRDJRB-MLGOLLRUSA-N 1 0 308.378 2.687 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000595068346 398902136 /nfs/dbraw/zinc/90/21/36/398902136.db2.gz KWOBLUPXEMXMTO-GWCFXTLKSA-N 1 0 300.305 2.978 20 5 DFBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595079068 398902700 /nfs/dbraw/zinc/90/27/00/398902700.db2.gz HNIMAIGOXJTEBV-NQBHXWOUSA-N 1 0 314.336 2.910 20 5 DFBDRO C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595079069 398902811 /nfs/dbraw/zinc/90/28/11/398902811.db2.gz HNIMAIGOXJTEBV-NTZNESFSSA-N 1 0 314.336 2.910 20 5 DFBDRO C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1(F)F ZINC000595079059 398902813 /nfs/dbraw/zinc/90/28/13/398902813.db2.gz HNIMAIGOXJTEBV-DMDPSCGWSA-N 1 0 314.336 2.910 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@H]3C[C@H]3C1)OCCO2 ZINC000598987640 398903543 /nfs/dbraw/zinc/90/35/43/398903543.db2.gz KUXMYPYVDQIVTM-FRRDWIJNSA-N 1 0 318.373 2.892 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H]1CC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595087930 398904068 /nfs/dbraw/zinc/90/40/68/398904068.db2.gz GBCFSTOCABSRRZ-WFASDCNBSA-N 1 0 305.378 2.504 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000470204606 299293317 /nfs/dbraw/zinc/29/33/17/299293317.db2.gz AMYSNKNCUXGEPC-FCDZSPFESA-N 1 0 302.374 2.701 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595107414 398906372 /nfs/dbraw/zinc/90/63/72/398906372.db2.gz YHAKLTMWRZEMOT-STQMWFEESA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595107411 398906436 /nfs/dbraw/zinc/90/64/36/398906436.db2.gz YHAKLTMWRZEMOT-CHWSQXEVSA-N 1 0 319.405 2.892 20 5 DFBDRO COC(=O)[C@@]1(C)CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470182872 299293650 /nfs/dbraw/zinc/29/36/50/299293650.db2.gz OCPHWEHCRUBRIM-VEMDQMBVSA-N 1 0 318.373 2.883 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099149 398905618 /nfs/dbraw/zinc/90/56/18/398905618.db2.gz DZKMGBATYBTGBQ-GUYCJALGSA-N 1 0 322.405 2.813 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1cnccn1 ZINC000470216596 299293069 /nfs/dbraw/zinc/29/30/69/299293069.db2.gz TZILWVHGFKWTPJ-UVTDQMKNSA-N 1 0 312.373 2.963 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000281004825 216015382 /nfs/dbraw/zinc/01/53/82/216015382.db2.gz YBBPAESHNNPHFR-ZOBUZTSGSA-N 1 0 322.405 2.671 20 5 DFBDRO C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099151 398905686 /nfs/dbraw/zinc/90/56/86/398905686.db2.gz DZKMGBATYBTGBQ-SUMWQHHRSA-N 1 0 322.405 2.813 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000281004822 216015941 /nfs/dbraw/zinc/01/59/41/216015941.db2.gz YBBPAESHNNPHFR-VYDXJSESSA-N 1 0 322.405 2.671 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H](O)C3)o2)c1 ZINC000599006871 398907077 /nfs/dbraw/zinc/90/70/77/398907077.db2.gz LZWIZYIBDHGPJF-VDISTLRHSA-N 1 0 302.330 2.715 20 5 DFBDRO COC(=O)CC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000599034892 398911000 /nfs/dbraw/zinc/91/10/00/398911000.db2.gz RHBCXQUJUMZNRM-UHFFFAOYSA-N 1 0 320.389 2.849 20 5 DFBDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000187523679 200123122 /nfs/dbraw/zinc/12/31/22/200123122.db2.gz GMMOQHGGELIDRJ-INIZCTEOSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000595233554 398911736 /nfs/dbraw/zinc/91/17/36/398911736.db2.gz QGTSBNZDIRFAFG-UHFFFAOYSA-N 1 0 306.366 2.605 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCCOC2)n1 ZINC000599054579 398913710 /nfs/dbraw/zinc/91/37/10/398913710.db2.gz CCIDRCSSRFIVEA-RBSFLKMASA-N 1 0 322.409 2.681 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599057068 398914634 /nfs/dbraw/zinc/91/46/34/398914634.db2.gz CDYIHQJMGVWNSS-YPMHNXCESA-N 1 0 301.346 2.883 20 5 DFBDRO CC[C@@H](NC(=O)NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000595268250 398914767 /nfs/dbraw/zinc/91/47/67/398914767.db2.gz GIRTZHSAVCERFI-CQSZACIVSA-N 1 0 320.393 2.617 20 5 DFBDRO CCn1nncc1C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000599062470 398915006 /nfs/dbraw/zinc/91/50/06/398915006.db2.gz RERGGBGUGGVOLV-INIZCTEOSA-N 1 0 315.377 2.764 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000599071853 398917169 /nfs/dbraw/zinc/91/71/69/398917169.db2.gz UULAXZRYFYXYFA-KBPBESRZSA-N 1 0 321.421 2.986 20 5 DFBDRO Cc1ncccc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000599072453 398917480 /nfs/dbraw/zinc/91/74/80/398917480.db2.gz FAYUKCFJUINWOC-LSDHHAIUSA-N 1 0 315.377 2.768 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595292924 398916715 /nfs/dbraw/zinc/91/67/15/398916715.db2.gz FWHAFUIDRGXAPT-UHFFFAOYSA-N 1 0 324.425 2.835 20 5 DFBDRO CO[C@H](C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1)C1CCC1 ZINC000595290930 398916782 /nfs/dbraw/zinc/91/67/82/398916782.db2.gz NVGJFJZCNUSQJC-QGZVFWFLSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H]1CN(c2ccc3cnccc3c2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000599085868 398918619 /nfs/dbraw/zinc/91/86/19/398918619.db2.gz HBFCPAGBFVHWBT-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[NH+](CCCF)CC1 ZINC000599092462 398920302 /nfs/dbraw/zinc/92/03/02/398920302.db2.gz HZVIAGYZDJJDMX-UHFFFAOYSA-N 1 0 318.352 2.625 20 5 DFBDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000599091174 398919288 /nfs/dbraw/zinc/91/92/88/398919288.db2.gz HOEVRMKPAGXMSD-MAZHCROVSA-N 1 0 304.390 2.931 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000237665254 202322663 /nfs/dbraw/zinc/32/26/63/202322663.db2.gz FVWQSFAKZWOKAL-UHFFFAOYSA-N 1 0 319.405 2.945 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595319962 398921863 /nfs/dbraw/zinc/92/18/63/398921863.db2.gz UWJXKWWTQMJDTN-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO O=C(NCC[NH2+]C1CCCCCC1)c1cc(F)ccc1[N+](=O)[O-] ZINC000237753395 202348227 /nfs/dbraw/zinc/34/82/27/202348227.db2.gz ZPZOVKWAFIEKBT-UHFFFAOYSA-N 1 0 323.368 2.776 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000237848467 202369101 /nfs/dbraw/zinc/36/91/01/202369101.db2.gz RNHFTTQTDZTHDA-LBPRGKRZSA-N 1 0 317.311 2.569 20 5 DFBDRO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342503 398924368 /nfs/dbraw/zinc/92/43/68/398924368.db2.gz LOIWTBXAPXVDSX-HNNXBMFYSA-N 1 0 318.352 2.903 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000599138636 398927234 /nfs/dbraw/zinc/92/72/34/398927234.db2.gz IBPCJMWWFXFGDP-JTQLQIEISA-N 1 0 321.406 2.743 20 5 DFBDRO CO[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)[C@@H]1CCOC1 ZINC000595355079 398926608 /nfs/dbraw/zinc/92/66/08/398926608.db2.gz VOVCPMUVTDWEIS-RHSMWYFYSA-N 1 0 320.389 2.611 20 5 DFBDRO C[N@@H+]1CCCC[C@@H](CNc2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000599140891 398927712 /nfs/dbraw/zinc/92/77/12/398927712.db2.gz JEJPDTVCXJVJNB-ZDUSSCGKSA-N 1 0 314.389 2.709 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000189021395 200336795 /nfs/dbraw/zinc/33/67/95/200336795.db2.gz RLAUEJDZBMZQCW-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189194458 200362300 /nfs/dbraw/zinc/36/23/00/200362300.db2.gz UNJKRBOQVKJVQS-INIZCTEOSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C(F)F)CCCC2 ZINC000417313045 296009055 /nfs/dbraw/zinc/00/90/55/296009055.db2.gz OOPQGCXKOLSDMJ-QWHCGFSZSA-N 1 0 300.305 2.578 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164698 398932488 /nfs/dbraw/zinc/93/24/88/398932488.db2.gz KAEAGHALIGNYAR-CYBMUJFWSA-N 1 0 307.398 2.548 20 5 DFBDRO Cc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000077990099 398933270 /nfs/dbraw/zinc/93/32/70/398933270.db2.gz ARGUUSXKMPCKBC-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C(F)(F)F)CCCC2 ZINC000417344496 296012200 /nfs/dbraw/zinc/01/22/00/296012200.db2.gz SFFHTZXIQBKLTR-CHWSQXEVSA-N 1 0 318.295 2.875 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000417348753 296012553 /nfs/dbraw/zinc/01/25/53/296012553.db2.gz ZCXGDWRWZLYJSI-MRXNPFEDSA-N 1 0 300.362 2.886 20 5 DFBDRO CCN1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000417349785 296012588 /nfs/dbraw/zinc/01/25/88/296012588.db2.gz MMIUTCZXWXYENE-CJNGLKHVSA-N 1 0 317.389 2.573 20 5 DFBDRO Cc1noc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1[N+](=O)[O-] ZINC000595424197 398935588 /nfs/dbraw/zinc/93/55/88/398935588.db2.gz ULKDHIOTESVIJX-OLZOCXBDSA-N 1 0 309.366 2.530 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cc1[N+](=O)[O-] ZINC000417379174 296014929 /nfs/dbraw/zinc/01/49/29/296014929.db2.gz GBLAVJRICNLUHJ-YPMHNXCESA-N 1 0 313.348 2.893 20 5 DFBDRO C[C@@H](C(=O)N1CCc2c1cccc2[N+](=O)[O-])[NH+]1CCCCCC1 ZINC000078148638 398940396 /nfs/dbraw/zinc/94/03/96/398940396.db2.gz IOZHVISLOPRMAR-ZDUSSCGKSA-N 1 0 317.389 2.748 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000595454418 398941835 /nfs/dbraw/zinc/94/18/35/398941835.db2.gz LVKHMEAFHBIAEC-CYBMUJFWSA-N 1 0 302.305 2.697 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595485332 398948419 /nfs/dbraw/zinc/94/84/19/398948419.db2.gz WCSKBVCKUMUOOJ-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000261937093 283579479 /nfs/dbraw/zinc/57/94/79/283579479.db2.gz UBXUTFZTJVWIAJ-BPLDGKMQSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1ccc2ncc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2c1 ZINC000156528471 398950469 /nfs/dbraw/zinc/95/04/69/398950469.db2.gz YTBLZYQTQWVAOQ-UHFFFAOYSA-N 1 0 310.357 2.883 20 5 DFBDRO CC(C)(C)CNC(=O)CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599334254 398955229 /nfs/dbraw/zinc/95/52/29/398955229.db2.gz FWKHSYBAXHEVAC-UHFFFAOYSA-N 1 0 319.405 2.722 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000078419785 398955231 /nfs/dbraw/zinc/95/52/31/398955231.db2.gz DDYWDUXXWFAZLZ-HFTRVMKXSA-N 1 0 324.384 2.729 20 5 DFBDRO CC(C)(C)CNC(=O)CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000599339247 398956392 /nfs/dbraw/zinc/95/63/92/398956392.db2.gz KYSZHPACQJRGCP-UHFFFAOYSA-N 1 0 319.405 2.722 20 5 DFBDRO Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)on1 ZINC000056196734 398957219 /nfs/dbraw/zinc/95/72/19/398957219.db2.gz WVAXNDJRKSEJIT-QWRGUYRKSA-N 1 0 318.333 2.569 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000271905066 209311879 /nfs/dbraw/zinc/31/18/79/209311879.db2.gz WKHTVUHRKWISOQ-OAGGEKHMSA-N 1 0 302.374 2.685 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)C)cc1[N+](=O)[O-] ZINC000599354515 398960429 /nfs/dbraw/zinc/96/04/29/398960429.db2.gz PVAVZORFTBGNST-LBPRGKRZSA-N 1 0 307.394 2.716 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000281375365 216258061 /nfs/dbraw/zinc/25/80/61/216258061.db2.gz OUDHZSKDXYAMTN-UHFFFAOYSA-N 1 0 306.366 2.544 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292722881 223218638 /nfs/dbraw/zinc/21/86/38/223218638.db2.gz HOXUXEYPQFGDPL-QGZVFWFLSA-N 1 0 319.405 2.663 20 5 DFBDRO C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000193295711 201023605 /nfs/dbraw/zinc/02/36/05/201023605.db2.gz XHZCXFUFPZKVLP-YHWZYXNKSA-N 1 0 309.797 2.963 20 5 DFBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447528345 297306813 /nfs/dbraw/zinc/30/68/13/297306813.db2.gz IXIUAWJWRXOJQB-DSJMHWKBSA-N 1 0 324.425 2.662 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000447529110 297306939 /nfs/dbraw/zinc/30/69/39/297306939.db2.gz LEAPHMQYAKDPJS-MELADBBJSA-N 1 0 310.398 2.536 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000193382688 201043153 /nfs/dbraw/zinc/04/31/53/201043153.db2.gz KFIWFJBBIMUGFX-UHFFFAOYSA-N 1 0 312.373 2.647 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000193884720 201139398 /nfs/dbraw/zinc/13/93/98/201139398.db2.gz HZYFIJRFLMVIQL-VHDGCEQUSA-N 1 0 320.389 2.847 20 5 DFBDRO CC(C)(C)[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000194332708 201204230 /nfs/dbraw/zinc/20/42/30/201204230.db2.gz WQGPFZFYSCBQRF-UHFFFAOYSA-N 1 0 311.407 2.649 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000162205492 398982041 /nfs/dbraw/zinc/98/20/41/398982041.db2.gz HKXDNLLMONUPOH-STQMWFEESA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC1)OCCCO2 ZINC000292880162 223289357 /nfs/dbraw/zinc/28/93/57/223289357.db2.gz CATYSPCRLUVLFO-CYBMUJFWSA-N 1 0 306.362 2.885 20 5 DFBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000194489265 201237129 /nfs/dbraw/zinc/23/71/29/201237129.db2.gz GWPZOHNFYGAESI-DZGCQCFKSA-N 1 0 323.349 2.796 20 5 DFBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC000194489254 201237689 /nfs/dbraw/zinc/23/76/89/201237689.db2.gz GWPZOHNFYGAESI-UKRRQHHQSA-N 1 0 323.349 2.796 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)Cc1ccoc1 ZINC000165857412 398992622 /nfs/dbraw/zinc/99/26/22/398992622.db2.gz MQEURAIABSXGFR-UHFFFAOYSA-N 1 0 317.345 2.957 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195308957 201376859 /nfs/dbraw/zinc/37/68/59/201376859.db2.gz QBIHSEJYMHVPCX-ZNMIVQPWSA-N 1 0 321.421 2.697 20 5 DFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])s1)N1CCc2sccc2C1 ZINC000195508153 201396290 /nfs/dbraw/zinc/39/62/90/201396290.db2.gz BTSWJOZUXAOFEX-VIFPVBQESA-N 1 0 324.431 2.972 20 5 DFBDRO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000599507843 398999017 /nfs/dbraw/zinc/99/90/17/398999017.db2.gz UIXDROSJMCHBTD-UHFFFAOYSA-N 1 0 308.378 2.852 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[NH2+][C@H](CO)C2CCC2)c1 ZINC000595617920 399004751 /nfs/dbraw/zinc/00/47/51/399004751.db2.gz VNANPEPQERJAIW-CYBMUJFWSA-N 1 0 318.295 2.864 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(C)c1 ZINC000271831154 209250413 /nfs/dbraw/zinc/25/04/13/209250413.db2.gz XBFLPUODDSEGII-AWEZNQCLSA-N 1 0 315.373 2.724 20 5 DFBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCc2ccccc21 ZINC000595631881 399011892 /nfs/dbraw/zinc/01/18/92/399011892.db2.gz LEPMPGMSWLBPIN-UHFFFAOYSA-N 1 0 314.389 2.627 20 5 DFBDRO O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000600227286 399013188 /nfs/dbraw/zinc/01/31/88/399013188.db2.gz AFBNQFKRVAJOCG-AWEZNQCLSA-N 1 0 317.389 2.732 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000249522543 283795670 /nfs/dbraw/zinc/79/56/70/283795670.db2.gz OPMHTRWOYSAUJZ-BARDWOONSA-N 1 0 322.405 2.749 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000281771083 216532601 /nfs/dbraw/zinc/53/26/01/216532601.db2.gz QWHWIHZWXHDSHW-MDZDMXLPSA-N 1 0 317.389 2.552 20 5 DFBDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000595671378 399027751 /nfs/dbraw/zinc/02/77/51/399027751.db2.gz FEAJWQSVLNHMTI-RHSMWYFYSA-N 1 0 322.405 2.847 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C)CO)cc1[N+](=O)[O-] ZINC000595671443 399027816 /nfs/dbraw/zinc/02/78/16/399027816.db2.gz GLUFFCLRIKTOOP-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599605550 399028231 /nfs/dbraw/zinc/02/82/31/399028231.db2.gz IZRXKIPYXSMIMD-AWEZNQCLSA-N 1 0 318.377 2.563 20 5 DFBDRO CC(C)(C)CC[NH+]1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000079262511 399029752 /nfs/dbraw/zinc/02/97/52/399029752.db2.gz VTNDHENVLJOQCB-UHFFFAOYSA-N 1 0 319.405 2.789 20 5 DFBDRO C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000600312333 399030950 /nfs/dbraw/zinc/03/09/50/399030950.db2.gz FGDOUHPHTYLOTH-ZIAGYGMSSA-N 1 0 319.405 2.546 20 5 DFBDRO C[C@H]1CC(F)(F)CCN1CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000599624767 399032398 /nfs/dbraw/zinc/03/23/98/399032398.db2.gz XWXQKWROBRAPFL-JTQLQIEISA-N 1 0 313.304 2.653 20 5 DFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)ccc1[N+](=O)[O-] ZINC000599639127 399039000 /nfs/dbraw/zinc/03/90/00/399039000.db2.gz YYBNJFQHNXVCQH-WMLDXEAASA-N 1 0 320.389 2.588 20 5 DFBDRO C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595701116 399044232 /nfs/dbraw/zinc/04/42/32/399044232.db2.gz PWHFWUBJPCWGLG-WMLDXEAASA-N 1 0 322.405 2.847 20 5 DFBDRO C[N@H+](CCC(=O)NCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000613639099 399046500 /nfs/dbraw/zinc/04/65/00/399046500.db2.gz HVLUQRNREQWOBX-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000255905609 283916875 /nfs/dbraw/zinc/91/68/75/283916875.db2.gz LONRYPFFTFAQAM-QWGSZXSUSA-N 1 0 317.389 2.551 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000057714699 399057817 /nfs/dbraw/zinc/05/78/17/399057817.db2.gz QKKUXAAVHUTATR-JTQLQIEISA-N 1 0 323.418 2.529 20 5 DFBDRO Cc1sc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1[N+](=O)[O-] ZINC000600471226 399058406 /nfs/dbraw/zinc/05/84/06/399058406.db2.gz KALAYIZYEZYWKC-LBPRGKRZSA-N 1 0 323.418 2.711 20 5 DFBDRO COC(=O)C1C[C@@H](C)[NH+](CCc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000599687480 399064166 /nfs/dbraw/zinc/06/41/66/399064166.db2.gz CDOLAQWJLPFJMN-CHWSQXEVSA-N 1 0 320.389 2.799 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755264 399069760 /nfs/dbraw/zinc/06/97/60/399069760.db2.gz JXFTTXWQEKSDTI-QWHCGFSZSA-N 1 0 323.368 2.993 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000282026296 216707066 /nfs/dbraw/zinc/70/70/66/216707066.db2.gz KPVCGCICVGWOTF-WCQYABFASA-N 1 0 321.377 2.710 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1nc2sccn2c1[N+](=O)[O-] ZINC000301457492 284028165 /nfs/dbraw/zinc/02/81/65/284028165.db2.gz NDXLVTAUCUEPCW-LLVKDONJSA-N 1 0 323.422 2.615 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000595785182 399083414 /nfs/dbraw/zinc/08/34/14/399083414.db2.gz WEQBNSLELICFBR-KFWWJZLASA-N 1 0 322.405 2.845 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000332222207 284061385 /nfs/dbraw/zinc/06/13/85/284061385.db2.gz AUAMIMDCPDHDLY-ZIAGYGMSSA-N 1 0 323.780 2.605 20 5 DFBDRO CC[C@H](C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1)OC ZINC000419217475 296128496 /nfs/dbraw/zinc/12/84/96/296128496.db2.gz PPJUYMNLMPOWJA-CQSZACIVSA-N 1 0 308.378 2.863 20 5 DFBDRO CC[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000419325164 296134785 /nfs/dbraw/zinc/13/47/85/296134785.db2.gz WRGIRCAIKUDQPK-KBMXLJTQSA-N 1 0 322.405 2.749 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419371043 296137341 /nfs/dbraw/zinc/13/73/41/296137341.db2.gz IJUXNENGQOLGCL-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595856287 399114884 /nfs/dbraw/zinc/11/48/84/399114884.db2.gz AHKUCXGZLYBIME-DKUMPPAJSA-N 1 0 320.389 2.597 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000600683704 399116555 /nfs/dbraw/zinc/11/65/55/399116555.db2.gz XSSLOKXUOSVHBN-XNISGKROSA-N 1 0 303.406 2.646 20 5 DFBDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000060207905 399118555 /nfs/dbraw/zinc/11/85/55/399118555.db2.gz GVWVRRZJQNZHIZ-CQSZACIVSA-N 1 0 319.405 2.753 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000600705813 399120135 /nfs/dbraw/zinc/12/01/35/399120135.db2.gz AUJPLSSZIUCGEC-FPMFFAJLSA-N 1 0 307.394 2.785 20 5 DFBDRO CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282341677 216923923 /nfs/dbraw/zinc/92/39/23/216923923.db2.gz BYDMXBUYJSEGIA-ZDUSSCGKSA-N 1 0 321.421 2.762 20 5 DFBDRO [NH3+]C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600725304 399125303 /nfs/dbraw/zinc/12/53/03/399125303.db2.gz ISSMOKNGXCRGQV-NWDGAFQWSA-N 1 0 317.311 2.554 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000094368159 193366800 /nfs/dbraw/zinc/36/68/00/193366800.db2.gz ACNIAWOHZFNKPS-ZFWWWQNUSA-N 1 0 308.403 2.739 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000094371414 193366929 /nfs/dbraw/zinc/36/69/29/193366929.db2.gz RSWJCXUQJCTDMV-UKRRQHHQSA-N 1 0 308.403 2.739 20 5 DFBDRO COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080244025 399130262 /nfs/dbraw/zinc/13/02/62/399130262.db2.gz TYQUDYYNDNUFOO-INIZCTEOSA-N 1 0 300.358 2.942 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)c1 ZINC000595905974 399130762 /nfs/dbraw/zinc/13/07/62/399130762.db2.gz YZUNCTUWGQEOIQ-CALCHBBNSA-N 1 0 302.374 2.987 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)cc1 ZINC000595907637 399130823 /nfs/dbraw/zinc/13/08/23/399130823.db2.gz CCRXEBMRJBJDID-CALCHBBNSA-N 1 0 302.374 2.987 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271748003 209179380 /nfs/dbraw/zinc/17/93/80/209179380.db2.gz XYCFZBFNZBMATH-CYBMUJFWSA-N 1 0 322.409 2.687 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000595908326 399131657 /nfs/dbraw/zinc/13/16/57/399131657.db2.gz HMWKGWYGIQISFA-LBPRGKRZSA-N 1 0 305.378 2.820 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])C1 ZINC000420115990 296158861 /nfs/dbraw/zinc/15/88/61/296158861.db2.gz FWBQCBIZUKBULG-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO Cc1cc(N2CCC[C@H]([NH3+])C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420126811 296159047 /nfs/dbraw/zinc/15/90/47/296159047.db2.gz USLJFCHWXUJDCQ-VIFPVBQESA-N 1 0 303.284 2.850 20 5 DFBDRO Cc1cc(N2CC[NH2+][C@@H](C)C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420184692 296161034 /nfs/dbraw/zinc/16/10/34/296161034.db2.gz AZVOFZDQOXEOIS-VIFPVBQESA-N 1 0 303.284 2.720 20 5 DFBDRO C[S@@](=O)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000080343261 399139412 /nfs/dbraw/zinc/13/94/12/399139412.db2.gz NXZUBQZRMQBSLM-NRFANRHFSA-N 1 0 304.371 2.622 20 5 DFBDRO Cc1cc(NC[C@H]2CC[NH2+]C2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420229562 296163952 /nfs/dbraw/zinc/16/39/52/296163952.db2.gz OCQLIVDWAGXAFK-VIFPVBQESA-N 1 0 303.284 2.943 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420225572 296163555 /nfs/dbraw/zinc/16/35/55/296163555.db2.gz JLUVSWIPQSAPQU-UHFFFAOYSA-N 1 0 312.373 2.723 20 5 DFBDRO CO[C@H](c1ccc(-c2cc([N+](=O)[O-])ccc2CO)cc1)[C@@H](C)[NH3+] ZINC000600781168 399144533 /nfs/dbraw/zinc/14/45/33/399144533.db2.gz SYNRXMFUJXSNAB-DIFFPNOSSA-N 1 0 316.357 2.789 20 5 DFBDRO COc1ccccc1[C@@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000060846920 399144664 /nfs/dbraw/zinc/14/46/64/399144664.db2.gz CGQUNDDFNUXSLG-CQSZACIVSA-N 1 0 316.361 2.713 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc1-c1ccccc1 ZINC000420235067 296164501 /nfs/dbraw/zinc/16/45/01/296164501.db2.gz IMINYWDOLNGURR-GASCZTMLSA-N 1 0 324.384 2.988 20 5 DFBDRO [NH3+]CCN(CCc1ccccc1)c1ncc(Cl)cc1[N+](=O)[O-] ZINC000420239798 296164976 /nfs/dbraw/zinc/16/49/76/296164976.db2.gz KSOXUGRXVGSTQQ-UHFFFAOYSA-N 1 0 320.780 2.651 20 5 DFBDRO COC[C@]1(CNc2c(C)cc([N+](=O)[O-])cc2Cl)CCC[NH2+]1 ZINC000420256287 296166355 /nfs/dbraw/zinc/16/63/55/296166355.db2.gz UQIGFNREXLZBQI-CQSZACIVSA-N 1 0 313.785 2.737 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])o1 ZINC000264676055 204071653 /nfs/dbraw/zinc/07/16/53/204071653.db2.gz RHRHMGLWZUGUNR-UHFFFAOYSA-N 1 0 309.366 2.574 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC23CC(C2)C[NH2+]3)c(Br)c1 ZINC000596025937 399151049 /nfs/dbraw/zinc/15/10/49/399151049.db2.gz APLMAVCQJLPYMH-UHFFFAOYSA-N 1 0 312.167 2.521 20 5 DFBDRO CCOC(=O)c1cc(N[C@H](C)CCCC[NH3+])ccc1[N+](=O)[O-] ZINC000420263512 296167006 /nfs/dbraw/zinc/16/70/06/296167006.db2.gz TVBNCPWJIISIGY-LLVKDONJSA-N 1 0 309.366 2.701 20 5 DFBDRO C[C@@H]1Cc2ccc(-c3cc([N+](=O)[O-])ccc3CCO)cc2C[NH2+]1 ZINC000600793109 399149054 /nfs/dbraw/zinc/14/90/54/399149054.db2.gz OVBNHDLIYIICRH-GFCCVEGCSA-N 1 0 312.369 2.831 20 5 DFBDRO COc1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1F ZINC000420272202 296167939 /nfs/dbraw/zinc/16/79/39/296167939.db2.gz LAYODQXDGIWPEG-VXGBXAGGSA-N 1 0 323.368 2.568 20 5 DFBDRO COc1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])cc1F ZINC000420272198 296167990 /nfs/dbraw/zinc/16/79/90/296167990.db2.gz LAYODQXDGIWPEG-NWDGAFQWSA-N 1 0 323.368 2.568 20 5 DFBDRO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000420269782 296167714 /nfs/dbraw/zinc/16/77/14/296167714.db2.gz BIGWYKUUFWVCHM-QWHCGFSZSA-N 1 0 314.389 2.803 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([N+](=O)[O-])ccc1C ZINC000264794010 204160129 /nfs/dbraw/zinc/16/01/29/204160129.db2.gz SLKBJWNKPNIJOQ-CQSZACIVSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H]1CN(c2nccc3cc([N+](=O)[O-])ccc32)C[C@@]1(C)C[NH3+] ZINC000420276795 296168452 /nfs/dbraw/zinc/16/84/52/296168452.db2.gz MGCRGSKPZKQGSJ-BDJLRTHQSA-N 1 0 300.362 2.564 20 5 DFBDRO CCc1ccccc1[C@@H]([NH3+])CNc1nccc(C)c1[N+](=O)[O-] ZINC000420285924 296169273 /nfs/dbraw/zinc/16/92/73/296169273.db2.gz VXLAOMFNHXGESF-AWEZNQCLSA-N 1 0 300.362 2.973 20 5 DFBDRO CC[C@@H](NC(=O)C[N@H+](C)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000600825699 399156417 /nfs/dbraw/zinc/15/64/17/399156417.db2.gz UFSDNUWGVLCGBF-OAHLLOKOSA-N 1 0 305.378 2.646 20 5 DFBDRO [NH3+]CC[C@H](Nc1ccc([N+](=O)[O-])c(OC(F)F)c1)C(F)F ZINC000420291537 296170308 /nfs/dbraw/zinc/17/03/08/296170308.db2.gz VRWKLQFZJKQICB-ZETCQYMHSA-N 1 0 311.235 2.591 20 5 DFBDRO Cc1occc1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000618567098 399161456 /nfs/dbraw/zinc/16/14/56/399161456.db2.gz UEOSBGFIZQCXSP-KGLIPLIRSA-N 1 0 304.350 2.966 20 5 DFBDRO O=[N+]([O-])c1cc(F)cc(OCc2cccc3c2CC[NH2+]C3)c1 ZINC000596070611 399162299 /nfs/dbraw/zinc/16/22/99/399162299.db2.gz GKDNZDINOCPBDD-UHFFFAOYSA-N 1 0 302.305 2.959 20 5 DFBDRO CCc1cc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618569149 399162653 /nfs/dbraw/zinc/16/26/53/399162653.db2.gz MKYCHHRIMGRAJQ-KBPBESRZSA-N 1 0 319.365 2.615 20 5 DFBDRO C[C@H](CNc1c(Br)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596077267 399164199 /nfs/dbraw/zinc/16/41/99/399164199.db2.gz TUVNKKDKBZFUCH-MRVPVSSYSA-N 1 0 302.172 2.719 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1N1CCC(C[NH+]2CCCC2)CC1 ZINC000596080900 399166637 /nfs/dbraw/zinc/16/66/37/399166637.db2.gz PGFWNIWBXXAIJS-UHFFFAOYSA-N 1 0 324.812 2.955 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282554045 217085222 /nfs/dbraw/zinc/08/52/22/217085222.db2.gz XMOYDLUBTBSIBM-UHFFFAOYSA-N 1 0 302.378 2.664 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cc[nH]c(=O)c1[N+](=O)[O-] ZINC000596098766 399172625 /nfs/dbraw/zinc/17/26/25/399172625.db2.gz MRHKWXNHPIWCSY-GFCCVEGCSA-N 1 0 308.382 2.762 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1 ZINC000282560582 217090631 /nfs/dbraw/zinc/09/06/31/217090631.db2.gz YHERGBOPFZMFOB-QGZVFWFLSA-N 1 0 300.358 2.803 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2CCCCC[C@H]2CCO)c1 ZINC000342029598 284311130 /nfs/dbraw/zinc/31/11/30/284311130.db2.gz GWJGNMGTVFXRGP-AWEZNQCLSA-N 1 0 308.378 2.601 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[N@H+]3CCCCC[C@H]3CCO)nc2c1 ZINC000342049972 284316165 /nfs/dbraw/zinc/31/61/65/284316165.db2.gz QKEGNQNXQQPTGB-LBPRGKRZSA-N 1 0 318.377 2.598 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2c(Br)cccc2[N+](=O)[O-])C1 ZINC000596112141 399177036 /nfs/dbraw/zinc/17/70/36/399177036.db2.gz HWVWYPYRBWLXBR-VIFPVBQESA-N 1 0 314.183 2.721 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342087700 284323333 /nfs/dbraw/zinc/32/33/33/284323333.db2.gz POMDAZXRCLFDQQ-VBNZEHGJSA-N 1 0 319.405 2.553 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000342471742 284338867 /nfs/dbraw/zinc/33/88/67/284338867.db2.gz LBFFFOIPVNLTRM-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1cc(NCCOCCC[NH3+])c([N+](=O)[O-])cc1C(F)(F)F ZINC000600955081 399186489 /nfs/dbraw/zinc/18/64/89/399186489.db2.gz JSKOJTCTIMGAJW-UHFFFAOYSA-N 1 0 321.299 2.699 20 5 DFBDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(Br)cc1[N+](=O)[O-] ZINC000600956375 399186551 /nfs/dbraw/zinc/18/65/51/399186551.db2.gz BBYORAGFCYCPFG-IONNQARKSA-N 1 0 300.156 2.520 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000600948100 399184660 /nfs/dbraw/zinc/18/46/60/399184660.db2.gz QKIKRZXLWHZEMP-OAHLLOKOSA-N 1 0 300.362 2.577 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600952023 399185406 /nfs/dbraw/zinc/18/54/06/399185406.db2.gz QJJDTCQVLHAYRG-NXEZZACHSA-N 1 0 303.284 2.558 20 5 DFBDRO [NH3+]C1(CNc2ccc([N+](=O)[O-])cc2C(F)(F)F)CCOCC1 ZINC000600953396 399185795 /nfs/dbraw/zinc/18/57/95/399185795.db2.gz ZSQTUEXWGQNCBM-UHFFFAOYSA-N 1 0 319.283 2.533 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(c2c(Cl)cncc2[N+](=O)[O-])C1 ZINC000596142222 399189552 /nfs/dbraw/zinc/18/95/52/399189552.db2.gz OXOMIVSLTZIRMH-NSHDSACASA-N 1 0 312.801 2.811 20 5 DFBDRO C[C@@H]1CCCC[N@H+](Cc2cc3c(cc2[N+](=O)[O-])OCCO3)C1 ZINC000614251755 399190407 /nfs/dbraw/zinc/19/04/07/399190407.db2.gz TVXWUKMETLESTL-GFCCVEGCSA-N 1 0 306.362 2.988 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCCCCC1 ZINC000063466457 399190415 /nfs/dbraw/zinc/19/04/15/399190415.db2.gz MAUUFJCLIZIKFP-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000198160211 399191246 /nfs/dbraw/zinc/19/12/46/399191246.db2.gz VVIBNQUVZASQLA-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO COc1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000266142103 205132130 /nfs/dbraw/zinc/13/21/30/205132130.db2.gz RAVRJWNISAUKNC-STQMWFEESA-N 1 0 323.393 2.515 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000015466944 182004196 /nfs/dbraw/zinc/00/41/96/182004196.db2.gz GSLZANHCJZWLMX-TXEJJXNPSA-N 1 0 305.378 2.820 20 5 DFBDRO COc1cc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000266194691 205173760 /nfs/dbraw/zinc/17/37/60/205173760.db2.gz ZNUQEJGJABKGTM-CYBMUJFWSA-N 1 0 305.334 2.911 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018182181 182097049 /nfs/dbraw/zinc/09/70/49/182097049.db2.gz SPBQZGVGQUNOPN-ZDUSSCGKSA-N 1 0 320.393 2.981 20 5 DFBDRO CC(=O)c1cc(NC[C@]2([NH+](C)C)CCSC2)ccc1[N+](=O)[O-] ZINC000288494500 220177924 /nfs/dbraw/zinc/17/79/24/220177924.db2.gz RUGYZZCSFICTMJ-OAHLLOKOSA-N 1 0 323.418 2.647 20 5 DFBDRO CC1(C2CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC2)OCCO1 ZINC000283078289 217426136 /nfs/dbraw/zinc/42/61/36/217426136.db2.gz KMQJJWPWTIETLK-UHFFFAOYSA-N 1 0 324.352 2.709 20 5 DFBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000267110010 205818195 /nfs/dbraw/zinc/81/81/95/205818195.db2.gz XARPSNJBJABLQN-GDBMZVCRSA-N 1 0 314.389 2.744 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccccc2)c([N+](=O)[O-])cc1OC ZINC000020228066 182199209 /nfs/dbraw/zinc/19/92/09/182199209.db2.gz JSXSFXOGBJVQPS-UHFFFAOYSA-N 1 0 316.357 2.944 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc(F)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000601100198 399226404 /nfs/dbraw/zinc/22/64/04/399226404.db2.gz HVMYBVHPEPTRTH-AWEZNQCLSA-N 1 0 322.315 2.983 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc(F)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000601105505 399228992 /nfs/dbraw/zinc/22/89/92/399228992.db2.gz INUGKCZPHRGRPA-CQSZACIVSA-N 1 0 322.315 2.983 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000601106152 399229015 /nfs/dbraw/zinc/22/90/15/399229015.db2.gz TVMZHAGMPUPECT-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO CC[C@@H](NC(=O)N[C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000267402796 206042916 /nfs/dbraw/zinc/04/29/16/206042916.db2.gz YVTRDMBMDKYAMM-IUODEOHRSA-N 1 0 322.409 2.685 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132107 399236466 /nfs/dbraw/zinc/23/64/66/399236466.db2.gz AMGMPZVSXYGTMX-FZMZJTMJSA-N 1 0 320.368 2.582 20 5 DFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000064915957 399234897 /nfs/dbraw/zinc/23/48/97/399234897.db2.gz YKSGBGYEHBBLJN-TZMCWYRMSA-N 1 0 315.377 2.576 20 5 DFBDRO CC(C)(C)OC(=O)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000267437706 206066920 /nfs/dbraw/zinc/06/69/20/206066920.db2.gz OEHDEGHHHQJHTL-ZDUSSCGKSA-N 1 0 306.362 2.758 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+][C@@H]1CCCC13CC3)OCCO2 ZINC000601137751 399238491 /nfs/dbraw/zinc/23/84/91/399238491.db2.gz HIGMONXSKRCOOG-OAHLLOKOSA-N 1 0 304.346 2.788 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139576 399239178 /nfs/dbraw/zinc/23/91/78/399239178.db2.gz GDOWCLUAUADNRT-YVEFUNNKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139574 399239237 /nfs/dbraw/zinc/23/92/37/399239237.db2.gz GDOWCLUAUADNRT-SJCJKPOMSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000267475291 206094069 /nfs/dbraw/zinc/09/40/69/206094069.db2.gz ZEGUIUKAFLYMKV-LBPRGKRZSA-N 1 0 300.362 2.907 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000267475290 206094409 /nfs/dbraw/zinc/09/44/09/206094409.db2.gz ZEGUIUKAFLYMKV-GFCCVEGCSA-N 1 0 300.362 2.907 20 5 DFBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601152835 399242606 /nfs/dbraw/zinc/24/26/06/399242606.db2.gz HDFNUNBCSBJUOX-HNNXBMFYSA-N 1 0 324.377 2.879 20 5 DFBDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271740567 284492141 /nfs/dbraw/zinc/49/21/41/284492141.db2.gz CBYKMMUILAZVPX-OLZOCXBDSA-N 1 0 307.394 2.892 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000601198950 399253394 /nfs/dbraw/zinc/25/33/94/399253394.db2.gz KCGHEHAAFSXYEK-GFCCVEGCSA-N 1 0 308.357 2.663 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421023085 296227546 /nfs/dbraw/zinc/22/75/46/296227546.db2.gz VVYKKKICLCJMKP-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421027817 296227800 /nfs/dbraw/zinc/22/78/00/296227800.db2.gz AGPIATAWXCXGQR-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3ccc([N+](=O)[O-])cc3F)cn2)CC1 ZINC000601224779 399258563 /nfs/dbraw/zinc/25/85/63/399258563.db2.gz AUWFKKGRCLPXMX-UHFFFAOYSA-N 1 0 319.340 2.941 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000601281976 399270008 /nfs/dbraw/zinc/27/00/08/399270008.db2.gz YCBXXVSVAHSYMA-PMPSAXMXSA-N 1 0 319.405 2.892 20 5 DFBDRO CS[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@@H]1[NH+]1CCCC1 ZINC000614822456 399272437 /nfs/dbraw/zinc/27/24/37/399272437.db2.gz NQGCAJLMHGIZIZ-NWDGAFQWSA-N 1 0 313.448 2.672 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601299752 399272660 /nfs/dbraw/zinc/27/26/60/399272660.db2.gz ABILBTPNZNNDJM-KPXOXKRLSA-N 1 0 306.284 2.947 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000421513416 296262000 /nfs/dbraw/zinc/26/20/00/296262000.db2.gz FFSNHNMCDARMFQ-DZGCQCFKSA-N 1 0 319.405 2.670 20 5 DFBDRO CC[NH+]1C[C@H](C)N(C(=O)c2cc([N+](=O)[O-])c(C)cc2C)[C@@H](C)C1 ZINC000421538601 296264060 /nfs/dbraw/zinc/26/40/60/296264060.db2.gz HAAINIJZBFRPJH-KBPBESRZSA-N 1 0 319.405 2.766 20 5 DFBDRO Cc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1[N+](=O)[O-] ZINC000608899412 399300246 /nfs/dbraw/zinc/30/02/46/399300246.db2.gz BLQLLFWAIMXYJV-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601586998 399304400 /nfs/dbraw/zinc/30/44/00/399304400.db2.gz PKJFMQWZLJBDQU-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000609204295 399309450 /nfs/dbraw/zinc/30/94/50/399309450.db2.gz FCJGVMQYMHNMLT-AWEZNQCLSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)cccc1[N+](=O)[O-] ZINC000042584898 183287570 /nfs/dbraw/zinc/28/75/70/183287570.db2.gz ISPFOIJIRKLFCZ-ZDUSSCGKSA-N 1 0 307.394 2.609 20 5 DFBDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccccc2[N+](=O)[O-])c1 ZINC000043976760 183391493 /nfs/dbraw/zinc/39/14/93/183391493.db2.gz NFZVFUNTLJVYHD-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO CC1([NH+]2CCCC2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000601739868 399329578 /nfs/dbraw/zinc/32/95/78/399329578.db2.gz QPVISCFXPLWULU-UHFFFAOYSA-N 1 0 317.389 2.685 20 5 DFBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)CO1 ZINC000609671855 399329734 /nfs/dbraw/zinc/32/97/34/399329734.db2.gz LVKIJNVDJRMECI-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000421752234 296274525 /nfs/dbraw/zinc/27/45/25/296274525.db2.gz QUQBWDODGABYNK-LBPRGKRZSA-N 1 0 319.405 2.673 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601790568 399337051 /nfs/dbraw/zinc/33/70/51/399337051.db2.gz HGWQSBZXKUDHFS-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000601791879 399337176 /nfs/dbraw/zinc/33/71/76/399337176.db2.gz PAMQCSYDTJCLHJ-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO C[C@@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000344945881 284711846 /nfs/dbraw/zinc/71/18/46/284711846.db2.gz UYADNABXDKHBME-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO O=C(Nc1cc(F)cc([N+](=O)[O-])c1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000619418340 399342647 /nfs/dbraw/zinc/34/26/47/399342647.db2.gz LFNCYUMANOGKIP-CQSZACIVSA-N 1 0 307.325 2.547 20 5 DFBDRO CCC(=O)c1ccc(N[C@@H]2C[N@H+](CC)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000619484865 399352703 /nfs/dbraw/zinc/35/27/03/399352703.db2.gz KKEYXSHDXJNXPL-SMDDNHRTSA-N 1 0 305.378 2.940 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1[N+](=O)[O-] ZINC000105347708 194098734 /nfs/dbraw/zinc/09/87/34/194098734.db2.gz LAWYHDBBOFYPCH-UHFFFAOYSA-N 1 0 320.393 2.898 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccccc1[N+](=O)[O-] ZINC000610340807 399358443 /nfs/dbraw/zinc/35/84/43/399358443.db2.gz FQALSYYOALRIIH-GFCCVEGCSA-N 1 0 300.362 2.907 20 5 DFBDRO COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000619531338 399358545 /nfs/dbraw/zinc/35/85/45/399358545.db2.gz PSIUKXXBQQHZOG-CYBMUJFWSA-N 1 0 322.361 2.521 20 5 DFBDRO CCc1ccc(C(=O)N2CCC[N@@H+](C)C[C@H]2CC)cc1[N+](=O)[O-] ZINC000619566947 399362888 /nfs/dbraw/zinc/36/28/88/399362888.db2.gz BSOCTWBALMEBAR-OAHLLOKOSA-N 1 0 319.405 2.714 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000105493129 194106532 /nfs/dbraw/zinc/10/65/32/194106532.db2.gz FKYGOMUSBKEMEI-HNNXBMFYSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000610369512 399361807 /nfs/dbraw/zinc/36/18/07/399361807.db2.gz HWWXYLOWVUZGBZ-KBPBESRZSA-N 1 0 317.389 2.743 20 5 DFBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000610453349 399369691 /nfs/dbraw/zinc/36/96/91/399369691.db2.gz UJFHHUAPPRHOOM-MRXNPFEDSA-N 1 0 300.362 2.801 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)[C@H]1CCCCN(C)C1=O ZINC000601969883 399371339 /nfs/dbraw/zinc/37/13/39/399371339.db2.gz MPLMSPPYDFJNJK-DOMZBBRYSA-N 1 0 305.378 2.599 20 5 DFBDRO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)c1 ZINC000105900293 194164210 /nfs/dbraw/zinc/16/42/10/194164210.db2.gz QVBFBDGOTRFSIF-OAHLLOKOSA-N 1 0 300.362 2.937 20 5 DFBDRO CC[C@@H]1c2ccccc2CC[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000610485233 399372102 /nfs/dbraw/zinc/37/21/02/399372102.db2.gz VCMMGNSNFHUMKY-OAHLLOKOSA-N 1 0 300.362 2.801 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)c2ccncc2)c([N+](=O)[O-])cc1O ZINC000610517688 399376129 /nfs/dbraw/zinc/37/61/29/399376129.db2.gz DXNSPAXAQHTHKN-LLVKDONJSA-N 1 0 317.345 2.597 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000610678651 399391715 /nfs/dbraw/zinc/39/17/15/399391715.db2.gz YVNZMSVZVMZXQN-ABAIWWIYSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273474119 210803773 /nfs/dbraw/zinc/80/37/73/210803773.db2.gz OZQVHKOAEIENGR-LBPRGKRZSA-N 1 0 324.356 2.682 20 5 DFBDRO CC[C@H](NC(=O)C1(C[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602115584 399397212 /nfs/dbraw/zinc/39/72/12/399397212.db2.gz IHDNIZLAHMVUNG-AWEZNQCLSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000111158488 194397452 /nfs/dbraw/zinc/39/74/52/194397452.db2.gz HEYCIGSDQZNAFK-QWHCGFSZSA-N 1 0 309.797 2.965 20 5 DFBDRO CC(C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccnn1C ZINC000615943478 399403166 /nfs/dbraw/zinc/40/31/66/399403166.db2.gz NGRWVHDXMOWQIN-CQSZACIVSA-N 1 0 320.368 2.997 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000056196881 184007073 /nfs/dbraw/zinc/00/70/73/184007073.db2.gz XPSDYWRMWUUHRK-KGLIPLIRSA-N 1 0 319.405 2.892 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000610828032 399410543 /nfs/dbraw/zinc/41/05/43/399410543.db2.gz FYJKJBPPINUNDY-AFAVFJNCSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616061957 399417625 /nfs/dbraw/zinc/41/76/25/399417625.db2.gz HXQUQEFGMTXLKB-NWDGAFQWSA-N 1 0 300.362 2.672 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+]C(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000616089219 399419945 /nfs/dbraw/zinc/41/99/45/399419945.db2.gz BLYGHKNDHZADPV-UHFFFAOYSA-N 1 0 324.377 2.671 20 5 DFBDRO CO[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000269002343 207158918 /nfs/dbraw/zinc/15/89/18/207158918.db2.gz VAZDTYAQOIGIQC-DOMZBBRYSA-N 1 0 323.393 2.573 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000611158498 399440249 /nfs/dbraw/zinc/44/02/49/399440249.db2.gz QHKDJTUIGKPECA-LRDDRELGSA-N 1 0 324.352 2.945 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000602432791 399442520 /nfs/dbraw/zinc/44/25/20/399442520.db2.gz IKOKYLWNMZLURI-AWEZNQCLSA-N 1 0 319.405 2.650 20 5 DFBDRO Cc1ccc([C@@H]2CCC[N@H+]2Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602437605 399444046 /nfs/dbraw/zinc/44/40/46/399444046.db2.gz ZQCYDDSCUQAQRK-HNNXBMFYSA-N 1 0 300.362 2.974 20 5 DFBDRO CO[C@H]1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602471963 399453507 /nfs/dbraw/zinc/45/35/07/399453507.db2.gz DOASQOILKWBZRO-NSHDSACASA-N 1 0 304.268 2.834 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000611270112 399454566 /nfs/dbraw/zinc/45/45/66/399454566.db2.gz RRIJJLIFQZPGTE-LERPRCHQSA-N 1 0 312.373 2.969 20 5 DFBDRO C[C@@H]1COCCCN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000611272443 399455839 /nfs/dbraw/zinc/45/58/39/399455839.db2.gz OIFIKDCCUXYHAR-SNVBAGLBSA-N 1 0 316.304 2.807 20 5 DFBDRO COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCOCC1 ZINC000611337090 399462969 /nfs/dbraw/zinc/46/29/69/399462969.db2.gz ZSVJTAZDKZFXDE-CYBMUJFWSA-N 1 0 308.378 2.749 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CC2)cc1[N+](=O)[O-] ZINC000611337435 399463072 /nfs/dbraw/zinc/46/30/72/399463072.db2.gz GQZCZSLHSZTUKW-BXUZGUMPSA-N 1 0 308.378 2.805 20 5 DFBDRO CC(C)C[C@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000602509866 399464230 /nfs/dbraw/zinc/46/42/30/399464230.db2.gz GXYNCQOYYAYIDI-CYBMUJFWSA-N 1 0 320.393 2.802 20 5 DFBDRO C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000602519385 399466616 /nfs/dbraw/zinc/46/66/16/399466616.db2.gz XWZLBKZXIRHCMJ-LBPRGKRZSA-N 1 0 318.377 2.558 20 5 DFBDRO CCCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2o1)[C@H]1CC[NH2+]C1 ZINC000269180794 207299913 /nfs/dbraw/zinc/29/99/13/207299913.db2.gz PRIXAWYYRICAHV-ZDUSSCGKSA-N 1 0 317.345 2.555 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000602532844 399469625 /nfs/dbraw/zinc/46/96/25/399469625.db2.gz MTJXFLKMIAGFIN-HNNXBMFYSA-N 1 0 317.389 2.733 20 5 DFBDRO COCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000065533913 184362048 /nfs/dbraw/zinc/36/20/48/184362048.db2.gz TVFBXBZROGCRDT-UHFFFAOYSA-N 1 0 320.345 2.715 20 5 DFBDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000602546524 399472625 /nfs/dbraw/zinc/47/26/25/399472625.db2.gz VFUJUXQMYKGNRJ-NWDGAFQWSA-N 1 0 319.386 2.680 20 5 DFBDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602544530 399471571 /nfs/dbraw/zinc/47/15/71/399471571.db2.gz CMLGGGLSVWGARM-GFCCVEGCSA-N 1 0 306.284 2.720 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602548362 399473386 /nfs/dbraw/zinc/47/33/86/399473386.db2.gz XANFLDGHOODQSN-CYBMUJFWSA-N 1 0 318.377 2.700 20 5 DFBDRO CCC[C@H]1C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602564047 399477425 /nfs/dbraw/zinc/47/74/25/399477425.db2.gz CXWPCKLHOBNLGB-SWLSCSKDSA-N 1 0 304.394 2.737 20 5 DFBDRO C[C@H](CCCO)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602573703 399479201 /nfs/dbraw/zinc/47/92/01/399479201.db2.gz LFOFYVVIJYGQBS-SECBINFHSA-N 1 0 306.284 2.864 20 5 DFBDRO C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501335 399482405 /nfs/dbraw/zinc/48/24/05/399482405.db2.gz ARWAXONDGDDPHH-FZMZJTMJSA-N 1 0 309.341 2.603 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)(C)n1cncn1 ZINC000602583784 399483151 /nfs/dbraw/zinc/48/31/51/399483151.db2.gz UROGBBOCDQDHMO-NWDGAFQWSA-N 1 0 303.366 2.661 20 5 DFBDRO CCOc1cc(N2CC[C@H]3CC[N@H+](C)C[C@H]32)ccc1[N+](=O)[O-] ZINC000611510285 399485279 /nfs/dbraw/zinc/48/52/79/399485279.db2.gz GXAFIBUQKHZNDO-IUODEOHRSA-N 1 0 305.378 2.524 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCNc2ccccn2)cc1 ZINC000602591308 399486011 /nfs/dbraw/zinc/48/60/11/399486011.db2.gz YUWOYVRLPGXQAR-UHFFFAOYSA-N 1 0 300.362 2.624 20 5 DFBDRO CC[C@@](C)(CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602593909 399486708 /nfs/dbraw/zinc/48/67/08/399486708.db2.gz QRMBZNWSATVROW-JTQLQIEISA-N 1 0 323.212 2.669 20 5 DFBDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602597274 399486776 /nfs/dbraw/zinc/48/67/76/399486776.db2.gz ACUCYGPGBSEGBK-DTWKUNHWSA-N 1 0 306.284 2.863 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000602597305 399487036 /nfs/dbraw/zinc/48/70/36/399487036.db2.gz ARRVRIUPAKVUEL-HDJSIYSDSA-N 1 0 319.405 2.767 20 5 DFBDRO Cc1cc(C)cc([C@H]2CC[N@@H+](Cc3cn(C)nc3[N+](=O)[O-])C2)c1 ZINC000602607196 399488324 /nfs/dbraw/zinc/48/83/24/399488324.db2.gz IJFCKQWACVMNIC-AWEZNQCLSA-N 1 0 314.389 2.935 20 5 DFBDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602606314 399488636 /nfs/dbraw/zinc/48/86/36/399488636.db2.gz OWZIJGOQPVBZPX-ZJUUUORDSA-N 1 0 318.295 2.816 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1O ZINC000602622017 399493570 /nfs/dbraw/zinc/49/35/70/399493570.db2.gz JDXDMPKAJHSLRR-NEPJUHHUSA-N 1 0 318.295 2.863 20 5 DFBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602626063 399494963 /nfs/dbraw/zinc/49/49/63/399494963.db2.gz XLODZWNNZLMDOJ-ZDUSSCGKSA-N 1 0 318.295 2.960 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602628469 399495895 /nfs/dbraw/zinc/49/58/95/399495895.db2.gz GVGMJBJZKKLJDJ-KRWDZBQOSA-N 1 0 314.385 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](OC(F)F)C2)cc1 ZINC000611580510 399496264 /nfs/dbraw/zinc/49/62/64/399496264.db2.gz XDKDZFOMUMIZRO-CYBMUJFWSA-N 1 0 300.305 2.841 20 5 DFBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H]1CCCCO1 ZINC000602636083 399498715 /nfs/dbraw/zinc/49/87/15/399498715.db2.gz FKUMOAAQUYCCFJ-QMTHXVAHSA-N 1 0 304.350 2.518 20 5 DFBDRO C[C@H](O)CCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602640881 399500198 /nfs/dbraw/zinc/50/01/98/399500198.db2.gz SGSVPSUKTQPCRE-ZETCQYMHSA-N 1 0 323.212 2.669 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3[C@@H]3CCCO3)nc2c1 ZINC000602653166 399503784 /nfs/dbraw/zinc/50/37/84/399503784.db2.gz NALIWGLFRRIEQZ-ZFWWWQNUSA-N 1 0 317.345 2.879 20 5 DFBDRO CO[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000602657414 399505049 /nfs/dbraw/zinc/50/50/49/399505049.db2.gz GFQAIXDWQGTHPT-QGZVFWFLSA-N 1 0 322.405 2.511 20 5 DFBDRO Cc1ncc([C@H](C)N(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000602659206 399505934 /nfs/dbraw/zinc/50/59/34/399505934.db2.gz JWNYRAARKLOCOV-LBPRGKRZSA-N 1 0 315.377 2.528 20 5 DFBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C[C@@H](O)C1CC1 ZINC000602661576 399507475 /nfs/dbraw/zinc/50/74/75/399507475.db2.gz FQHPXARSUNGHPV-CYBMUJFWSA-N 1 0 318.295 2.816 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCC([NH2+]C)CC1 ZINC000422824287 296339661 /nfs/dbraw/zinc/33/96/61/296339661.db2.gz NJCHKZDWVMOPRE-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422821130 296339427 /nfs/dbraw/zinc/33/94/27/296339427.db2.gz UNAQEEXPPKMCFQ-UHFFFAOYSA-N 1 0 307.394 2.966 20 5 DFBDRO CC(C)[NH2+][C@H]1CCCN(c2ncnc3ccc([N+](=O)[O-])cc32)C1 ZINC000611708626 399508835 /nfs/dbraw/zinc/50/88/35/399508835.db2.gz GWWIXHWLASAOQY-LBPRGKRZSA-N 1 0 315.377 2.505 20 5 DFBDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000616743343 399509096 /nfs/dbraw/zinc/50/90/96/399509096.db2.gz NKCMXFQICUEXQY-LLVKDONJSA-N 1 0 324.402 2.693 20 5 DFBDRO CCN(CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665225 399510013 /nfs/dbraw/zinc/51/00/13/399510013.db2.gz ZWCNIDTZSBBDOU-UHFFFAOYSA-N 1 0 306.366 2.510 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000422853611 296345242 /nfs/dbraw/zinc/34/52/42/296345242.db2.gz ZIKLTLISDSXXIJ-SMDDNHRTSA-N 1 0 305.378 2.528 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCn1cccn1 ZINC000347359553 285013375 /nfs/dbraw/zinc/01/33/75/285013375.db2.gz IBKXPRRFJUBANK-SDNWHVSQSA-N 1 0 300.362 2.827 20 5 DFBDRO CC(=O)N[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347373169 285019711 /nfs/dbraw/zinc/01/97/11/285019711.db2.gz WRIXVLHCRLQPSE-OVHOFWQVSA-N 1 0 317.389 2.599 20 5 DFBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668059 399511669 /nfs/dbraw/zinc/51/16/69/399511669.db2.gz SIDMOAGHQBMQJS-RISCZKNCSA-N 1 0 318.377 2.508 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422869426 296347682 /nfs/dbraw/zinc/34/76/82/296347682.db2.gz WLXRQOPJYKQFQT-GXTWGEPZSA-N 1 0 305.378 2.575 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c21 ZINC000347401345 285034138 /nfs/dbraw/zinc/03/41/38/285034138.db2.gz CUZLAEIEMPLALP-RYUDHWBXSA-N 1 0 313.361 2.577 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](Nc2ncnc3cccc([N+](=O)[O-])c32)C1 ZINC000347413338 285041801 /nfs/dbraw/zinc/04/18/01/285041801.db2.gz UBMQHFVSTMQYGQ-YPMHNXCESA-N 1 0 315.377 2.679 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000422892818 296351866 /nfs/dbraw/zinc/35/18/66/296351866.db2.gz NXCVEOKTTGPLNZ-ZDUSSCGKSA-N 1 0 305.378 2.542 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCCO)ccc1Oc1ccc(F)cc1 ZINC000119946499 195067259 /nfs/dbraw/zinc/06/72/59/195067259.db2.gz MTOIZXPUJBIZFD-UHFFFAOYSA-N 1 0 320.320 2.998 20 5 DFBDRO C[C@@]1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCOC1 ZINC000120107026 195098678 /nfs/dbraw/zinc/09/86/78/195098678.db2.gz NGXRLVGKIMUCOQ-OAHLLOKOSA-N 1 0 319.386 2.987 20 5 DFBDRO COc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935856 296357438 /nfs/dbraw/zinc/35/74/38/296357438.db2.gz ASPRUZVHJVYPOH-HUUCEWRRSA-N 1 0 313.357 2.838 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1 ZINC000602692727 399523427 /nfs/dbraw/zinc/52/34/27/399523427.db2.gz YTDIFYWMIXUMFI-HNNXBMFYSA-N 1 0 318.348 2.642 20 5 DFBDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687014 399520857 /nfs/dbraw/zinc/52/08/57/399520857.db2.gz UEIHVHMCUXKKLU-SKDRFNHKSA-N 1 0 318.295 2.816 20 5 DFBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCCOC1 ZINC000602697283 399525438 /nfs/dbraw/zinc/52/54/38/399525438.db2.gz FNDMRXQAFDNFDZ-LBPRGKRZSA-N 1 0 305.334 2.737 20 5 DFBDRO CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286126989 218805468 /nfs/dbraw/zinc/80/54/68/218805468.db2.gz MNGXOLOIUIVOPJ-QLFBSQMISA-N 1 0 310.419 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CC[C@H]4C[C@H]4C3)CC2)cn1 ZINC000602701733 399528036 /nfs/dbraw/zinc/52/80/36/399528036.db2.gz FNXAOHOCDGYQEZ-KCQAQPDRSA-N 1 0 316.405 2.737 20 5 DFBDRO COc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000302645917 533034561 /nfs/dbraw/zinc/03/45/61/533034561.db2.gz JDGQUGNSKGFYPZ-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270144497 208204167 /nfs/dbraw/zinc/20/41/67/208204167.db2.gz QEXIJMKQIGWGKF-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H](CCO)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602704183 399530254 /nfs/dbraw/zinc/53/02/54/399530254.db2.gz GIMSAFWJLOJPLI-SECBINFHSA-N 1 0 306.284 2.816 20 5 DFBDRO COCC1(C2CCC2)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602707071 399531515 /nfs/dbraw/zinc/53/15/15/399531515.db2.gz JBSFWBBFGRWEPY-UHFFFAOYSA-N 1 0 304.390 2.886 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@]2(CC[NH2+]C2)C1 ZINC000262569236 285085888 /nfs/dbraw/zinc/08/58/88/285085888.db2.gz XFPUKFPKDPEVGP-ZDUSSCGKSA-N 1 0 315.295 2.803 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000262503190 285085895 /nfs/dbraw/zinc/08/58/95/285085895.db2.gz MFEALNKVBOTABA-UWVGGRQHSA-N 1 0 315.295 2.659 20 5 DFBDRO COc1cc(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)on1 ZINC000602713343 399534075 /nfs/dbraw/zinc/53/40/75/399534075.db2.gz LGGSNKXKBJUMFK-WDZFZDKYSA-N 1 0 303.318 2.785 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CCC[C@H]([NH+]3CCCC3)C2)c(F)c1 ZINC000301804905 285093850 /nfs/dbraw/zinc/09/38/50/285093850.db2.gz VPAGMBFYHVNGJO-NSHDSACASA-N 1 0 311.332 2.938 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCN2C2CCCC2)cc1 ZINC000602723467 399539811 /nfs/dbraw/zinc/53/98/11/399539811.db2.gz BIHCPTCAXDUKPN-KRWDZBQOSA-N 1 0 303.406 2.744 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]Cc1ncc[nH]1 ZINC000602730742 399544305 /nfs/dbraw/zinc/54/43/05/399544305.db2.gz HQTSKGAEURIQRK-TZMCWYRMSA-N 1 0 300.362 2.819 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]Cc1ncc[nH]1 ZINC000602730739 399544201 /nfs/dbraw/zinc/54/42/01/399544201.db2.gz HQTSKGAEURIQRK-JSGCOSHPSA-N 1 0 300.362 2.819 20 5 DFBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602731311 399545680 /nfs/dbraw/zinc/54/56/80/399545680.db2.gz VPERYQHIYIBXGW-XYPYZODXSA-N 1 0 304.268 2.881 20 5 DFBDRO C[C@@](CO)([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000602732004 399545972 /nfs/dbraw/zinc/54/59/72/399545972.db2.gz MPKOHHVTOQYEKS-KRWDZBQOSA-N 1 0 322.405 2.599 20 5 DFBDRO C[C@@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCC[NH2+]1 ZINC000423043959 296371440 /nfs/dbraw/zinc/37/14/40/296371440.db2.gz QFKBXRKRYDNOBZ-RISCZKNCSA-N 1 0 311.813 2.911 20 5 DFBDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000602735793 399548192 /nfs/dbraw/zinc/54/81/92/399548192.db2.gz KTYCIEFJQUHHPO-IOBAAEILSA-N 1 0 317.389 2.599 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@](O)(CC)C1 ZINC000602741713 399551385 /nfs/dbraw/zinc/55/13/85/399551385.db2.gz TVPQMTKZIGEYCD-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO CC(C)c1ccc(CN2CCSC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000602750518 399554951 /nfs/dbraw/zinc/55/49/51/399554951.db2.gz JLLOADRXAYLYMB-ZDUSSCGKSA-N 1 0 310.419 2.628 20 5 DFBDRO C[C@H](NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423082737 296376467 /nfs/dbraw/zinc/37/64/67/296376467.db2.gz FVSGLVKZEJSEON-ZANVPECISA-N 1 0 317.311 2.844 20 5 DFBDRO CN(c1c2c(ccc1[N+](=O)[O-])NCC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286438111 218989078 /nfs/dbraw/zinc/98/90/78/218989078.db2.gz RCQMYFCYBXLAEI-FUNVUKJBSA-N 1 0 316.405 2.624 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000602773262 399567348 /nfs/dbraw/zinc/56/73/48/399567348.db2.gz ZBMWHDWEMJJPFT-OAHLLOKOSA-N 1 0 314.389 2.898 20 5 DFBDRO CCS[C@@H]1CC[C@H]([N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC000602783312 399571866 /nfs/dbraw/zinc/57/18/66/399571866.db2.gz KRTLXTMRZJKLIH-QWHCGFSZSA-N 1 0 312.439 2.706 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000602783435 399571909 /nfs/dbraw/zinc/57/19/09/399571909.db2.gz PGMHBRZJUUKGCJ-HNNXBMFYSA-N 1 0 322.409 2.523 20 5 DFBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](CCC2CCOCC2)CC1 ZINC000292604405 285163476 /nfs/dbraw/zinc/16/34/76/285163476.db2.gz LNPSGAHBZXCSFD-UHFFFAOYSA-N 1 0 319.405 2.534 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000602787283 399573223 /nfs/dbraw/zinc/57/32/23/399573223.db2.gz PCHUAVLFTSEEEA-OAHLLOKOSA-N 1 0 315.377 2.640 20 5 DFBDRO Cc1nc(C(C)(C)[NH2+]CCn2c(C)ncc2[N+](=O)[O-])sc1C ZINC000602792250 399575475 /nfs/dbraw/zinc/57/54/75/399575475.db2.gz IWKSPMBCMRSUGP-UHFFFAOYSA-N 1 0 323.422 2.698 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH+]1C2CCCC1CCC2 ZINC000612083655 399575858 /nfs/dbraw/zinc/57/58/58/399575858.db2.gz RAXGPHAOOYOGEQ-NRXISQOPSA-N 1 0 320.389 2.742 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000602800778 399579912 /nfs/dbraw/zinc/57/99/12/399579912.db2.gz CGWJGMRKLGFDTK-MRXNPFEDSA-N 1 0 314.389 2.898 20 5 DFBDRO COc1cccc(F)c1[C@@H](C)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602798340 399578144 /nfs/dbraw/zinc/57/81/44/399578144.db2.gz BPZTZYBTRFJBND-SNVBAGLBSA-N 1 0 322.340 2.598 20 5 DFBDRO C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000157550244 197196574 /nfs/dbraw/zinc/19/65/74/197196574.db2.gz WTHCZKGEWNDZPP-JTQLQIEISA-N 1 0 310.304 2.763 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000602796524 399578865 /nfs/dbraw/zinc/57/88/65/399578865.db2.gz BJTYJQUHWOJEIV-SECBINFHSA-N 1 0 310.304 2.729 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000602808648 399584042 /nfs/dbraw/zinc/58/40/42/399584042.db2.gz NIJSDXDOGUXBSP-IUODEOHRSA-N 1 0 315.377 2.578 20 5 DFBDRO [NH3+][C@H]1CCC[C@H](C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)C1 ZINC000156840670 197143507 /nfs/dbraw/zinc/14/35/07/197143507.db2.gz QRNTZHHIONFNDC-GJZGRUSLSA-N 1 0 319.405 2.551 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1ccnc1 ZINC000156429061 197112995 /nfs/dbraw/zinc/11/29/95/197112995.db2.gz DLKIFTVUOXZLHM-BBRMVZONSA-N 1 0 300.362 2.874 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000156419075 197111994 /nfs/dbraw/zinc/11/19/94/197111994.db2.gz XBNZOEMUKNPRIV-ZYHUDNBSSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000156079251 197084906 /nfs/dbraw/zinc/08/49/06/197084906.db2.gz FBTCRBHMWIIIQA-UHFFFAOYSA-N 1 0 318.377 2.652 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1C ZINC000347877945 285221307 /nfs/dbraw/zinc/22/13/07/285221307.db2.gz MMVJYPDQNURXDD-LLVKDONJSA-N 1 0 317.345 2.571 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](n2ccnn2)C1 ZINC000602866732 399609072 /nfs/dbraw/zinc/60/90/72/399609072.db2.gz UFKWOKOKOGLRDD-OCCSQVGLSA-N 1 0 301.350 2.503 20 5 DFBDRO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294744508 224207153 /nfs/dbraw/zinc/20/71/53/224207153.db2.gz LOFSAFOAYVWCQL-IACUBPJLSA-N 1 0 306.410 2.700 20 5 DFBDRO Cc1ccc([C@@H](CNc2ncc([N+](=O)[O-])c(C)n2)[NH+](C)C)cc1 ZINC000294795052 224226432 /nfs/dbraw/zinc/22/64/32/224226432.db2.gz BTCYFRXSOVIXDH-OAHLLOKOSA-N 1 0 315.377 2.716 20 5 DFBDRO CCC[C@@H](NC[C@@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437922 296416734 /nfs/dbraw/zinc/41/67/34/296416734.db2.gz UPACERXIWOKQBA-IAGOWNOFSA-N 1 0 321.421 2.794 20 5 DFBDRO COCC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000347940013 285258610 /nfs/dbraw/zinc/25/86/10/285258610.db2.gz WQXAWNGODIVQOS-OAHLLOKOSA-N 1 0 320.345 2.934 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000602881935 399614772 /nfs/dbraw/zinc/61/47/72/399614772.db2.gz HKXGGAOIGYOXBO-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO CC(C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000120581984 195194584 /nfs/dbraw/zinc/19/45/84/195194584.db2.gz GKHHQPNCBXTTCB-YOEHRIQHSA-N 1 0 321.421 2.602 20 5 DFBDRO CC(C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCOCC1 ZINC000120581853 195194732 /nfs/dbraw/zinc/19/47/32/195194732.db2.gz GKHHQPNCBXTTCB-WMLDXEAASA-N 1 0 321.421 2.602 20 5 DFBDRO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000271554646 209007345 /nfs/dbraw/zinc/00/73/45/209007345.db2.gz SOPQKFANDUSHRG-BLLLJJGKSA-N 1 0 318.348 2.988 20 5 DFBDRO CCC[C@H]([NH2+]CCCN1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000120539302 195186428 /nfs/dbraw/zinc/18/64/28/195186428.db2.gz LGDHBPUXJAJADK-KRWDZBQOSA-N 1 0 321.421 2.748 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000423619174 296434579 /nfs/dbraw/zinc/43/45/79/296434579.db2.gz HZEAKEHTYOWGTK-WDEREUQCSA-N 1 0 323.418 2.577 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423620333 296434441 /nfs/dbraw/zinc/43/44/41/296434441.db2.gz WNLNSGUUSANKBR-AWEZNQCLSA-N 1 0 319.405 2.721 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292850553 533219079 /nfs/dbraw/zinc/21/90/79/533219079.db2.gz BTNCGJFVYXSRQW-KRWDZBQOSA-N 1 0 319.405 2.521 20 5 DFBDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c([N+](=O)[O-])n1 ZINC000602918811 399625276 /nfs/dbraw/zinc/62/52/76/399625276.db2.gz UMEUUZFQSPZJBK-HUUCEWRRSA-N 1 0 300.362 2.754 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423630924 296435245 /nfs/dbraw/zinc/43/52/45/296435245.db2.gz FRBIPTXLCYMAFO-HWWQOWPSSA-N 1 0 319.405 2.835 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CCO)C2)ccc1[N+](=O)[O-] ZINC000617196457 399627296 /nfs/dbraw/zinc/62/72/96/399627296.db2.gz MVIUUBSMXMXIKR-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000332527783 533220731 /nfs/dbraw/zinc/22/07/31/533220731.db2.gz TUNZFSDBGSWHNH-CJNGLKHVSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000332527782 533221079 /nfs/dbraw/zinc/22/10/79/533221079.db2.gz TUNZFSDBGSWHNH-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOc1cc(C[NH+]2CCC3(CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000617216659 399631720 /nfs/dbraw/zinc/63/17/20/399631720.db2.gz BYRQWTJJEDCTEZ-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO CC1(C)C[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1[C@@H]1CCCO1 ZINC000289889667 221296412 /nfs/dbraw/zinc/29/64/12/221296412.db2.gz SIAJGDNXCJJCFB-JYJNAYRXSA-N 1 0 320.389 2.518 20 5 DFBDRO CC(C)(C)n1cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000289921480 221319650 /nfs/dbraw/zinc/31/96/50/221319650.db2.gz VRYGDFCMMOSHKP-UHFFFAOYSA-N 1 0 317.393 2.512 20 5 DFBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCC1(F)F ZINC000289996016 221368730 /nfs/dbraw/zinc/36/87/30/221368730.db2.gz YQSOPCMHXWAJKD-LLVKDONJSA-N 1 0 300.305 2.951 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)cs1 ZINC000290020757 221385152 /nfs/dbraw/zinc/38/51/52/221385152.db2.gz ZMVNAWPVDDFGMI-HOCLYGCPSA-N 1 0 318.398 2.912 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000602999946 399655677 /nfs/dbraw/zinc/65/56/77/399655677.db2.gz PYDYZPSWJRXAMB-OAHLLOKOSA-N 1 0 319.405 2.659 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)CCc1ccccc1 ZINC000612577472 399679559 /nfs/dbraw/zinc/67/95/59/399679559.db2.gz VECYRNGXIWCXBC-UHFFFAOYSA-N 1 0 314.385 2.940 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)o1 ZINC000612578215 399680206 /nfs/dbraw/zinc/68/02/06/399680206.db2.gz IPUKLEDELUHVHD-CQSZACIVSA-N 1 0 316.361 2.974 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000612580234 399680725 /nfs/dbraw/zinc/68/07/25/399680725.db2.gz CICQPPQBTPAIIS-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000423713127 296441202 /nfs/dbraw/zinc/44/12/02/296441202.db2.gz WPTFRMDDNRDGCS-KBPBESRZSA-N 1 0 319.405 2.767 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])n1cc(C[NH2+]C2CCCC2)nn1 ZINC000603218379 399713674 /nfs/dbraw/zinc/71/36/74/399713674.db2.gz LHWCIKUUQAWWMX-LBPRGKRZSA-N 1 0 315.377 2.828 20 5 DFBDRO CCC[C@@H]([NH3+])c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248380 399722034 /nfs/dbraw/zinc/72/20/34/399722034.db2.gz CGNIDEMOWIJNBF-SMDDNHRTSA-N 1 0 303.366 2.904 20 5 DFBDRO Cc1cc([C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C2CC2)ccc1F ZINC000359306151 291983598 /nfs/dbraw/zinc/98/35/98/291983598.db2.gz ROYVCDHIKVZEDG-INIZCTEOSA-N 1 0 318.352 2.980 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000279373829 130745474 /nfs/dbraw/zinc/74/54/74/130745474.db2.gz XHPSWTVJOLCNEC-RDBSUJKOSA-N 1 0 308.378 2.503 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000182954500 542796881 /nfs/dbraw/zinc/79/68/81/542796881.db2.gz LZSZSNWAJSTKEP-GHMZBOCLSA-N 1 0 305.378 2.608 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2cccnc2[N+](=O)[O-])CC1 ZINC000603871788 399811353 /nfs/dbraw/zinc/81/13/53/399811353.db2.gz RQFKOGXDPBZBNH-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO C[NH+](C)[C@@H](CNc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000603871505 399811557 /nfs/dbraw/zinc/81/15/57/399811557.db2.gz DBEAQMVJYYIXAX-AWEZNQCLSA-N 1 0 304.325 2.844 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000212939570 542871187 /nfs/dbraw/zinc/87/11/87/542871187.db2.gz GVAHJHJQHCDXPA-FPLPWBNLSA-N 1 0 317.389 2.597 20 5 DFBDRO C[C@H](C[N@H+](C)Cc1ccccc1)Nc1cccnc1[N+](=O)[O-] ZINC000309807184 543066166 /nfs/dbraw/zinc/06/61/66/543066166.db2.gz LPUDVHYGZCSNLT-CYBMUJFWSA-N 1 0 300.362 2.922 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000613301992 399844339 /nfs/dbraw/zinc/84/43/39/399844339.db2.gz PVCGADYUSBMBNO-GXTWGEPZSA-N 1 0 320.393 2.673 20 5 DFBDRO Cc1nnc([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)o1 ZINC000604553967 399855153 /nfs/dbraw/zinc/85/51/53/399855153.db2.gz IDQQRSSJTWVGQJ-CQSZACIVSA-N 1 0 316.361 2.708 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353743930 146740471 /nfs/dbraw/zinc/74/04/71/146740471.db2.gz ZBDMGXWUTGJDOH-NEPJUHHUSA-N 1 0 324.377 2.671 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](O)C(F)(F)F ZINC000349285767 285824826 /nfs/dbraw/zinc/82/48/26/285824826.db2.gz SMNOGHFFARXFKV-GWCFXTLKSA-N 1 0 320.311 2.819 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000072897492 145191873 /nfs/dbraw/zinc/19/18/73/145191873.db2.gz STWOHZFODOIAMV-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO O=C(NCC[NH+]1CCCC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000072937294 145192591 /nfs/dbraw/zinc/19/25/91/145192591.db2.gz UVDLGUXBQLDFTK-UHFFFAOYSA-N 1 0 319.386 2.635 20 5 DFBDRO CC(C)[C@H](O)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000165364898 145228783 /nfs/dbraw/zinc/22/87/83/145228783.db2.gz HYJBXSBBLOZOGI-NVXWUHKLSA-N 1 0 306.406 2.913 20 5 DFBDRO Cc1nn(C)c(C)c1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173307539 145339917 /nfs/dbraw/zinc/33/99/17/145339917.db2.gz AXGUPLZTCVOXTO-LLVKDONJSA-N 1 0 302.378 2.838 20 5 DFBDRO Cc1ccc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179643456 145558887 /nfs/dbraw/zinc/55/88/87/145558887.db2.gz FZZTZLLZDPTIKF-INIZCTEOSA-N 1 0 303.406 2.963 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cccc([N+](=O)[O-])c1 ZINC000181355955 145613328 /nfs/dbraw/zinc/61/33/28/145613328.db2.gz XYQNQNIHAQQOLU-UKRRQHHQSA-N 1 0 300.362 2.916 20 5 DFBDRO CCc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1[N+](=O)[O-] ZINC000186549629 145721806 /nfs/dbraw/zinc/72/18/06/145721806.db2.gz VGJZNXBVVKXZPF-CQSZACIVSA-N 1 0 317.389 2.514 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](C[C@@H]3CC=CCC3)C2)nc1 ZINC000245706127 146096386 /nfs/dbraw/zinc/09/63/86/146096386.db2.gz FBZBIPSEDVBWSV-ZIAGYGMSSA-N 1 0 302.378 2.832 20 5 DFBDRO C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000245902546 146108569 /nfs/dbraw/zinc/10/85/69/146108569.db2.gz LJJKMJYGIGAQBC-CHWSQXEVSA-N 1 0 305.378 2.901 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000246527155 146142510 /nfs/dbraw/zinc/14/25/10/146142510.db2.gz JJIQXOCCBXXZHE-GJZGRUSLSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ncc([N+](=O)[O-])s1 ZINC000249283594 146193319 /nfs/dbraw/zinc/19/33/19/146193319.db2.gz NJKOVDIRERKQFO-WCQYABFASA-N 1 0 318.402 2.984 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[NH+](CC2CC2)CC1 ZINC000255715313 146233997 /nfs/dbraw/zinc/23/39/97/146233997.db2.gz XKYUOGKMKOHFIZ-HYXAFXHYSA-N 1 0 301.390 2.636 20 5 DFBDRO Cc1c(CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cccc1[N+](=O)[O-] ZINC000261892791 146296723 /nfs/dbraw/zinc/29/67/23/146296723.db2.gz NZQXBMFTNUYJDR-GXTWGEPZSA-N 1 0 319.405 2.545 20 5 DFBDRO C[C@]1(CNc2ccc3cc([N+](=O)[O-])ccc3n2)CCC[NH2+]C1 ZINC000262086957 146332151 /nfs/dbraw/zinc/33/21/51/146332151.db2.gz HPMJIQZIWYDSBR-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO [NH3+]C[C@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000262448590 146359811 /nfs/dbraw/zinc/35/98/11/146359811.db2.gz HNZMLTNHROAWBW-NSHDSACASA-N 1 0 321.406 2.919 20 5 DFBDRO C[C@@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000262626803 146378466 /nfs/dbraw/zinc/37/84/66/146378466.db2.gz KTSBXKWEIMVJNM-ZDUSSCGKSA-N 1 0 319.405 2.579 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000354454056 147043546 /nfs/dbraw/zinc/04/35/46/147043546.db2.gz XQKVPQGJNZJHRB-AWEZNQCLSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@@H]1c2ccc(F)cc2C[C@H](C)[N@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000354832831 147168744 /nfs/dbraw/zinc/16/87/44/147168744.db2.gz NRMLLRLIQMIIGE-NWDGAFQWSA-N 1 0 318.352 2.938 20 5 DFBDRO C[C@@H](O)CCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000354843168 147173239 /nfs/dbraw/zinc/17/32/39/147173239.db2.gz UZZJJCVGICECOG-CYBMUJFWSA-N 1 0 308.378 2.599 20 5 DFBDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCCc1cccc([N+](=O)[O-])c1 ZINC000355545557 147357743 /nfs/dbraw/zinc/35/77/43/147357743.db2.gz AAVMRPHPIDMQBP-HNNXBMFYSA-N 1 0 319.405 2.518 20 5 DFBDRO COc1c(C)cc(CN(C)Cc2c([N+](=O)[O-])ncn2C)cc1C ZINC000355546345 147358152 /nfs/dbraw/zinc/35/81/52/147358152.db2.gz PVJXXRSYLRLNCD-UHFFFAOYSA-N 1 0 318.377 2.586 20 5 DFBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(N)c2F)CC1 ZINC000357186214 147892582 /nfs/dbraw/zinc/89/25/82/147892582.db2.gz FUKPDAHZZLKTFY-UHFFFAOYSA-N 1 0 310.373 2.850 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000357663779 148074951 /nfs/dbraw/zinc/07/49/51/148074951.db2.gz RNLFOCOHASYHLR-AWEZNQCLSA-N 1 0 307.394 2.816 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000357999556 148206081 /nfs/dbraw/zinc/20/60/81/148206081.db2.gz ACVYKOUXZNOXRE-STQMWFEESA-N 1 0 318.377 2.929 20 5 DFBDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2c([N+](=O)[O-])ncn2C)C1 ZINC000350304211 286026318 /nfs/dbraw/zinc/02/63/18/286026318.db2.gz YKSGBGYEHBBLJN-GXTWGEPZSA-N 1 0 315.377 2.576 20 5 DFBDRO CCc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)no1 ZINC000358104870 148245856 /nfs/dbraw/zinc/24/58/56/148245856.db2.gz ZMIMCXUGJUNXFP-NSHDSACASA-N 1 0 304.350 2.742 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000358238225 148298644 /nfs/dbraw/zinc/29/86/44/148298644.db2.gz DVTDXQLDUBQCDC-LBPRGKRZSA-N 1 0 320.418 2.989 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)n1 ZINC000358238224 148299063 /nfs/dbraw/zinc/29/90/63/148299063.db2.gz DVTDXQLDUBQCDC-GFCCVEGCSA-N 1 0 320.418 2.989 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000358356183 148340140 /nfs/dbraw/zinc/34/01/40/148340140.db2.gz OOLWMSFKDFZNBU-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000358415737 148351652 /nfs/dbraw/zinc/35/16/52/148351652.db2.gz UJIWDONTEXDKSQ-DZGCQCFKSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[N@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccc(Cl)cc1 ZINC000350682426 286073335 /nfs/dbraw/zinc/07/33/35/286073335.db2.gz BTAJPGHPCSOLLU-UHFFFAOYSA-N 1 0 308.769 2.967 20 5 DFBDRO CCC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000361109990 149029556 /nfs/dbraw/zinc/02/95/56/149029556.db2.gz OTJDNJYYKXXZNS-WMLDXEAASA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1noc([C@@H](C)[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000361610286 149166939 /nfs/dbraw/zinc/16/69/39/149166939.db2.gz MALUTEQJWKRPCB-WDEREUQCSA-N 1 0 304.350 2.958 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCC1 ZINC000361856408 149238171 /nfs/dbraw/zinc/23/81/71/149238171.db2.gz PODCUHKMQVKQRW-UHFFFAOYSA-N 1 0 320.393 2.819 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000361968218 149267039 /nfs/dbraw/zinc/26/70/39/149267039.db2.gz ZRJNPBVMMNIHDB-HUUCEWRRSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000362742502 149355978 /nfs/dbraw/zinc/35/59/78/149355978.db2.gz RXUUILOTIMRNHW-HNNXBMFYSA-N 1 0 320.393 2.707 20 5 DFBDRO COCC(C)(C)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000426288358 296622710 /nfs/dbraw/zinc/62/27/10/296622710.db2.gz CYQUXPAGVKNNGJ-GFCCVEGCSA-N 1 0 323.393 2.574 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1F ZINC000370472859 149937190 /nfs/dbraw/zinc/93/71/90/149937190.db2.gz XAIHEQWZVDSKID-CQSZACIVSA-N 1 0 307.369 2.794 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000372056566 150130859 /nfs/dbraw/zinc/13/08/59/150130859.db2.gz RJFSIPGEBKFRCY-IUODEOHRSA-N 1 0 314.389 2.786 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000372098695 150136535 /nfs/dbraw/zinc/13/65/35/150136535.db2.gz MPRAHSBFCTWIAN-FGWVZKOKSA-N 1 0 323.780 2.733 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)cc1[N+](=O)[O-] ZINC000373941830 150282090 /nfs/dbraw/zinc/28/20/90/150282090.db2.gz VWYUFBFVMXLYLT-HNNXBMFYSA-N 1 0 312.373 2.649 20 5 DFBDRO C[C@H]1C[C@@H](c2cccs2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064866 150300906 /nfs/dbraw/zinc/30/09/06/150300906.db2.gz KTUCZSRYSILOFF-NWDGAFQWSA-N 1 0 306.391 2.731 20 5 DFBDRO CCOCC[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000374062580 150301202 /nfs/dbraw/zinc/30/12/02/150301202.db2.gz CUMJDQSNLCMUPK-UHFFFAOYSA-N 1 0 305.378 2.611 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000374199883 150320683 /nfs/dbraw/zinc/32/06/83/150320683.db2.gz MHUMPKQFLQKZJI-UHFFFAOYSA-N 1 0 300.362 2.740 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000375034768 150388953 /nfs/dbraw/zinc/38/89/53/150388953.db2.gz DHTZPXYMBLVDGP-DOMZBBRYSA-N 1 0 309.797 2.774 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909341 286242179 /nfs/dbraw/zinc/24/21/79/286242179.db2.gz UCZRSJILVALEMM-MRXNPFEDSA-N 1 0 303.406 2.827 20 5 DFBDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000351922792 286245545 /nfs/dbraw/zinc/24/55/45/286245545.db2.gz KOFKSZAJERLTHH-NSHDSACASA-N 1 0 322.409 2.964 20 5 DFBDRO CCOC(=O)C1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000351932841 286248899 /nfs/dbraw/zinc/24/88/99/286248899.db2.gz YXUDIAZZAKBXIC-CYBMUJFWSA-N 1 0 320.389 2.849 20 5 DFBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351942368 286251682 /nfs/dbraw/zinc/25/16/82/286251682.db2.gz FSHYNBYMSZSAOH-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000352183254 286313615 /nfs/dbraw/zinc/31/36/15/286313615.db2.gz BFUJXCXLXDNRAV-UHFFFAOYSA-N 1 0 309.341 2.793 20 5 DFBDRO CC1(C)C[C@@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000352291596 286337641 /nfs/dbraw/zinc/33/76/41/286337641.db2.gz YOCCYPBTHOEFOZ-GFCCVEGCSA-N 1 0 314.345 2.556 20 5 DFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000352357379 286352081 /nfs/dbraw/zinc/35/20/81/286352081.db2.gz RAKMUUATVNAIOY-AWEZNQCLSA-N 1 0 312.373 2.816 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000273211036 292283304 /nfs/dbraw/zinc/28/33/04/292283304.db2.gz JRTPFOCVUCWHMF-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)F)cc1[N+](=O)[O-] ZINC000429448966 296745310 /nfs/dbraw/zinc/74/53/10/296745310.db2.gz LQNUSDJKOPGMRT-GXSJLCMTSA-N 1 0 318.320 2.660 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)CC(F)F ZINC000429456426 296745572 /nfs/dbraw/zinc/74/55/72/296745572.db2.gz TYEHXFUDOPMEIG-ZYHUDNBSSA-N 1 0 302.321 2.522 20 5 DFBDRO CN(Cc1ccccc1[N+](=O)[O-])C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000429685929 296754874 /nfs/dbraw/zinc/75/48/74/296754874.db2.gz XTONKRRQJMRTHJ-GJZGRUSLSA-N 1 0 319.405 2.851 20 5 DFBDRO Cc1nn(CC[N@@H+](C)Cc2ccc(F)cc2)c(C)c1[N+](=O)[O-] ZINC000185679953 158068207 /nfs/dbraw/zinc/06/82/07/158068207.db2.gz ZCLZMNCETXTJNO-UHFFFAOYSA-N 1 0 306.341 2.679 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000246483940 158093674 /nfs/dbraw/zinc/09/36/74/158093674.db2.gz QTLVGBDUEYUEDN-DOMZBBRYSA-N 1 0 320.393 2.753 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1ccnc1 ZINC000247029263 158113510 /nfs/dbraw/zinc/11/35/10/158113510.db2.gz DLKIFTVUOXZLHM-XJKSGUPXSA-N 1 0 300.362 2.874 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000493596331 299798899 /nfs/dbraw/zinc/79/88/99/299798899.db2.gz UUBICBMEZDRQFA-FJVVXJACSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248638376 158192044 /nfs/dbraw/zinc/19/20/44/158192044.db2.gz QUZXSVTZDUESDL-DOTOQJQBSA-N 1 0 303.406 2.819 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000354983027 158248376 /nfs/dbraw/zinc/24/83/76/158248376.db2.gz NPNZTUKRIFTYHJ-OWCLPIDISA-N 1 0 308.378 2.830 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000354984389 158248564 /nfs/dbraw/zinc/24/85/64/158248564.db2.gz PHHVXSCBADRUTA-DUVNUKRYSA-N 1 0 308.378 2.748 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000355060436 158264239 /nfs/dbraw/zinc/26/42/39/158264239.db2.gz ICUJZOXPYOJXBR-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[N@H+](CCC1CC1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000355067265 158265366 /nfs/dbraw/zinc/26/53/66/158265366.db2.gz UQBDYVDFXDCSRH-INIZCTEOSA-N 1 0 317.389 2.822 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000358294521 158369185 /nfs/dbraw/zinc/36/91/85/158369185.db2.gz AATSGOYIKBTGAK-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000430561754 296795052 /nfs/dbraw/zinc/79/50/52/296795052.db2.gz AIUMYJKPSXEVPT-OAHLLOKOSA-N 1 0 307.394 2.566 20 5 DFBDRO Cc1cccc(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000182231493 292425553 /nfs/dbraw/zinc/42/55/53/292425553.db2.gz GQTFRVZGTMHWOB-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO C[NH+](C)C1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432311523 296870986 /nfs/dbraw/zinc/87/09/86/296870986.db2.gz GBSPUNGUFSNUEP-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[C@H]([NH+]4CC=CC4)C3)ccnc21 ZINC000432331011 296872110 /nfs/dbraw/zinc/87/21/10/296872110.db2.gz IDCTVAFCRHRRNU-ZDUSSCGKSA-N 1 0 310.357 2.594 20 5 DFBDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000053304169 425887404 /nfs/dbraw/zinc/88/74/04/425887404.db2.gz UGCTXQXEDILIKQ-RYUDHWBXSA-N 1 0 323.393 2.674 20 5 DFBDRO CCC[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432340940 296873039 /nfs/dbraw/zinc/87/30/39/296873039.db2.gz QVQVERJZQINNEW-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CC1CCC([N@H+](C)Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000053781676 425888798 /nfs/dbraw/zinc/88/87/98/425888798.db2.gz MUWMNMBQIVBKFB-UHFFFAOYSA-N 1 0 305.378 2.704 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000054129362 425889283 /nfs/dbraw/zinc/88/92/83/425889283.db2.gz IRSISNONCMMTDV-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000132085366 196225157 /nfs/dbraw/zinc/22/51/57/196225157.db2.gz ZKJGAUZKEFBADT-HZMBPMFUSA-N 1 0 319.386 2.985 20 5 DFBDRO COc1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000133715105 196332674 /nfs/dbraw/zinc/33/26/74/196332674.db2.gz OKMJYQCPCDGNMT-OCCSQVGLSA-N 1 0 305.378 2.524 20 5 DFBDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000134197740 196369917 /nfs/dbraw/zinc/36/99/17/196369917.db2.gz LJLQETOXVHZNFJ-CKEIUWERSA-N 1 0 321.421 2.745 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCn2cccn2)c2cc([N+](=O)[O-])ccc21 ZINC000433285920 296904392 /nfs/dbraw/zinc/90/43/92/296904392.db2.gz HORPATDGEZGWQI-HNNXBMFYSA-N 1 0 300.362 2.804 20 5 DFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000290887061 221995347 /nfs/dbraw/zinc/99/53/47/221995347.db2.gz MNVFXHDYAOBEHB-GZMMTYOYSA-N 1 0 317.172 2.928 20 5 DFBDRO CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000291185069 222205210 /nfs/dbraw/zinc/20/52/10/222205210.db2.gz OPZVYTVXHHEHAS-MRXNPFEDSA-N 1 0 323.368 2.770 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493811559 299833026 /nfs/dbraw/zinc/83/30/26/299833026.db2.gz AWRONFWZXZAQGD-WDZFZDKYSA-N 1 0 317.389 2.597 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000291332203 222319613 /nfs/dbraw/zinc/31/96/13/222319613.db2.gz VXLWJKOWQUSEBH-ZDUSSCGKSA-N 1 0 310.394 2.703 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000298174034 228395286 /nfs/dbraw/zinc/39/52/86/228395286.db2.gz VDZXNDKDFSPLBB-UHFFFAOYSA-N 1 0 307.394 2.752 20 5 DFBDRO Cc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000299588379 229235892 /nfs/dbraw/zinc/23/58/92/229235892.db2.gz DQNQHDWQNWWMJP-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccccn2)cc1[N+](=O)[O-] ZINC000102411009 425920019 /nfs/dbraw/zinc/92/00/19/425920019.db2.gz UQGQGUFZBPIXCT-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO [NH3+]C[C@H](Nc1nc2sccn2c1[N+](=O)[O-])C1CCCCC1 ZINC000155839372 425928816 /nfs/dbraw/zinc/92/88/16/425928816.db2.gz IRHANHCAEOVGKC-JTQLQIEISA-N 1 0 309.395 2.624 20 5 DFBDRO Cc1ncc([N+](=O)[O-])cc1C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000173612477 267576420 /nfs/dbraw/zinc/57/64/20/267576420.db2.gz BHUFRLDICADTLZ-UHFFFAOYSA-N 1 0 322.409 2.537 20 5 DFBDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000178114774 267656812 /nfs/dbraw/zinc/65/68/12/267656812.db2.gz YFUWZZVNYVOFOH-RDJZCZTQSA-N 1 0 306.406 2.913 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000008351202 425667506 /nfs/dbraw/zinc/66/75/06/425667506.db2.gz LHNISHXFPFFFMM-CQSZACIVSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000188926830 267918761 /nfs/dbraw/zinc/91/87/61/267918761.db2.gz UPANMXACKQEWCS-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO C[NH+](C)CCN(CC1CCCCC1)c1ncc([N+](=O)[O-])s1 ZINC000192502226 268039038 /nfs/dbraw/zinc/03/90/38/268039038.db2.gz LPHIKXWAFTVZIS-UHFFFAOYSA-N 1 0 312.439 3.000 20 5 DFBDRO Cc1cccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000047145434 425868332 /nfs/dbraw/zinc/86/83/32/425868332.db2.gz MMMAIAIOJCRJSB-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000270692398 268201859 /nfs/dbraw/zinc/20/18/59/268201859.db2.gz GFAVNIQVIRBUPF-GXTWGEPZSA-N 1 0 323.780 2.605 20 5 DFBDRO CC[N@@H+](Cc1ccncc1)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000270980692 268244767 /nfs/dbraw/zinc/24/47/67/268244767.db2.gz GDVVJGZUNWKHJR-MRXNPFEDSA-N 1 0 301.346 2.545 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000272200014 268251787 /nfs/dbraw/zinc/25/17/87/268251787.db2.gz GGLZNFCIZQDDLX-AAEUAGOBSA-N 1 0 319.405 2.702 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278880319 268268244 /nfs/dbraw/zinc/26/82/44/268268244.db2.gz TUFJUSCOHWGNMT-ZWNOBZJWSA-N 1 0 318.295 2.903 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000296330709 268302054 /nfs/dbraw/zinc/30/20/54/268302054.db2.gz QTDPMISXKZBZNI-APHBMKBZSA-N 1 0 320.389 2.897 20 5 DFBDRO CC[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000298732515 268316755 /nfs/dbraw/zinc/31/67/55/268316755.db2.gz YGOVYLUYYXIJND-UHFFFAOYSA-N 1 0 306.366 2.509 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CO)CCCC1 ZINC000305246273 268332804 /nfs/dbraw/zinc/33/28/04/268332804.db2.gz SXPVBKMGHAOBDX-UHFFFAOYSA-N 1 0 308.378 2.777 20 5 DFBDRO C[C@H](CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[S@@](C)=O ZINC000332721903 268364189 /nfs/dbraw/zinc/36/41/89/268364189.db2.gz SAGUEJZOHDLRNC-VNBSIWGGSA-N 1 0 310.419 2.719 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000337527307 268507055 /nfs/dbraw/zinc/50/70/55/268507055.db2.gz GZVUDZTWKZROCS-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[C@H](C)C[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000111254267 426041842 /nfs/dbraw/zinc/04/18/42/426041842.db2.gz QQHSHJIAXLXMHY-LBPRGKRZSA-N 1 0 323.393 2.910 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111297894 426043824 /nfs/dbraw/zinc/04/38/24/426043824.db2.gz OJQWVULRRIMTNF-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO Cn1cc(C[NH+]2CCSCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000126161545 426007913 /nfs/dbraw/zinc/00/79/13/426007913.db2.gz KFFUYZVBJDZCQG-UHFFFAOYSA-N 1 0 318.402 2.544 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Cn1ccnc1 ZINC000072074857 426009376 /nfs/dbraw/zinc/00/93/76/426009376.db2.gz FMPSACUQSWIAIA-ZDUSSCGKSA-N 1 0 318.377 2.616 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CCO[C@@H](c3cccc(O)c3)C2)cc1 ZINC000126302524 426014221 /nfs/dbraw/zinc/01/42/21/426014221.db2.gz DLFJRRKKKGQOMY-QGZVFWFLSA-N 1 0 314.341 2.874 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000072897654 426020502 /nfs/dbraw/zinc/02/05/02/426020502.db2.gz GLLAFBICCXBBHW-CHWSQXEVSA-N 1 0 317.389 2.604 20 5 DFBDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367838 426097171 /nfs/dbraw/zinc/09/71/71/426097171.db2.gz NGOKILNRHDJJRN-GOEBONIOSA-N 1 0 321.421 2.665 20 5 DFBDRO C[NH+](C)CC1CCC(Nc2nc3sccn3c2[N+](=O)[O-])CC1 ZINC000128121020 426102365 /nfs/dbraw/zinc/10/23/65/426102365.db2.gz OTDFQMBNSGIJHS-UHFFFAOYSA-N 1 0 323.422 2.836 20 5 DFBDRO CC[C@@H](CO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312232 426112192 /nfs/dbraw/zinc/11/21/92/426112192.db2.gz CMPPRWPUKBODCY-NSHDSACASA-N 1 0 307.375 2.579 20 5 DFBDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000113364792 426112527 /nfs/dbraw/zinc/11/25/27/426112527.db2.gz JPBRJWOHHOJCJW-CQSZACIVSA-N 1 0 320.393 2.981 20 5 DFBDRO CC[N@H+](C)CCNCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113329379 426112860 /nfs/dbraw/zinc/11/28/60/426112860.db2.gz KTJFKYYHPOTHGG-UHFFFAOYSA-N 1 0 320.418 2.760 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000076478443 426113613 /nfs/dbraw/zinc/11/36/13/426113613.db2.gz YALOGASTWJCOLL-IAQYHMDHSA-N 1 0 323.368 2.536 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128524992 426121316 /nfs/dbraw/zinc/12/13/16/426121316.db2.gz KVPPFBMDILMLDL-RHSMWYFYSA-N 1 0 320.389 2.730 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000128574935 426123632 /nfs/dbraw/zinc/12/36/32/426123632.db2.gz AICRAMVXYKLXTM-CYBMUJFWSA-N 1 0 313.357 2.562 20 5 DFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000165909042 426124278 /nfs/dbraw/zinc/12/42/78/426124278.db2.gz KDUWUMZQOJCSSG-GFCCVEGCSA-N 1 0 311.769 2.592 20 5 DFBDRO COCCCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000166771740 426128812 /nfs/dbraw/zinc/12/88/12/426128812.db2.gz WPTTWKVWQXZWAX-CQSZACIVSA-N 1 0 309.410 2.522 20 5 DFBDRO CCC[N@@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000114724271 426143667 /nfs/dbraw/zinc/14/36/67/426143667.db2.gz XPNDHSSNXDZOGN-UHFFFAOYSA-N 1 0 305.378 2.680 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@H](Nc2ncccc2[N+](=O)[O-])[C@H](C)C1 ZINC000115521488 426166814 /nfs/dbraw/zinc/16/68/14/426166814.db2.gz XBLAWABBXXSSKU-KGLIPLIRSA-N 1 0 322.409 2.539 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000133042196 426172901 /nfs/dbraw/zinc/17/29/01/426172901.db2.gz CWJQZGSYNGHWEP-HIFRSBDPSA-N 1 0 305.378 2.646 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000171162431 426173379 /nfs/dbraw/zinc/17/33/79/426173379.db2.gz WSEALWKSNOUZNR-VMPITWQZSA-N 1 0 317.389 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000171708539 426205979 /nfs/dbraw/zinc/20/59/79/426205979.db2.gz ZYLSYXLHYIWHRB-KRWDZBQOSA-N 1 0 303.406 2.698 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116128635 426181059 /nfs/dbraw/zinc/18/10/59/426181059.db2.gz HHAPCPCWCJOFOU-OAHLLOKOSA-N 1 0 321.421 2.999 20 5 DFBDRO Cc1c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135570841 426222119 /nfs/dbraw/zinc/22/21/19/426222119.db2.gz SYCLCVSUYHAYJI-GJZGRUSLSA-N 1 0 308.403 2.610 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000136313145 426239488 /nfs/dbraw/zinc/23/94/88/426239488.db2.gz MATPDMCLTNTZSE-UHFFFAOYSA-N 1 0 302.378 2.930 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000118787601 426244647 /nfs/dbraw/zinc/24/46/47/426244647.db2.gz DJVTWDFQXHWDOB-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000118850039 426247818 /nfs/dbraw/zinc/24/78/18/426247818.db2.gz NLZKOJYJHFKRMB-XUJVJEKNSA-N 1 0 317.389 2.847 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C)cc([N+](=O)[O-])c2)C1 ZINC000173808995 426248862 /nfs/dbraw/zinc/24/88/62/426248862.db2.gz HPBPNUNUDNTWFU-AWEZNQCLSA-N 1 0 319.405 2.707 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000119104786 426262605 /nfs/dbraw/zinc/26/26/05/426262605.db2.gz WZKVEITYIQNMQM-ZIAGYGMSSA-N 1 0 308.378 2.749 20 5 DFBDRO CC[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119141887 426264904 /nfs/dbraw/zinc/26/49/04/426264904.db2.gz OLCLNLPNGFEPFB-CVEARBPZSA-N 1 0 308.378 2.831 20 5 DFBDRO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000119474411 426290963 /nfs/dbraw/zinc/29/09/63/426290963.db2.gz VXJQMTSQWKGSAM-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000175362155 426299665 /nfs/dbraw/zinc/29/96/65/426299665.db2.gz KHEMDMYWRNNGOT-OAHLLOKOSA-N 1 0 307.394 2.520 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000151614170 426303620 /nfs/dbraw/zinc/30/36/20/426303620.db2.gz IJSSNWDCISYTOM-WFASDCNBSA-N 1 0 318.377 2.543 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)NCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068671 426324753 /nfs/dbraw/zinc/32/47/53/426324753.db2.gz JLKNWDWDYVEYFD-WFASDCNBSA-N 1 0 307.394 2.796 20 5 DFBDRO CC[C@H](NC(=O)NCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090554373 426328024 /nfs/dbraw/zinc/32/80/24/426328024.db2.gz BPEFKVFMSVPYOX-HNNXBMFYSA-N 1 0 322.409 2.685 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000175816138 426331154 /nfs/dbraw/zinc/33/11/54/426331154.db2.gz DZTPVKBMWMTRHK-LBPRGKRZSA-N 1 0 321.421 2.863 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121303346 426332967 /nfs/dbraw/zinc/33/29/67/426332967.db2.gz NZWDJKBYBVHFEO-ZDUSSCGKSA-N 1 0 317.389 2.600 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000175156884 426283224 /nfs/dbraw/zinc/28/32/24/426283224.db2.gz PGXBGSNLHOACJU-YPMHNXCESA-N 1 0 306.366 2.589 20 5 DFBDRO O=C(CC[N@@H+]1CCC2(CCC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000122870924 426399585 /nfs/dbraw/zinc/39/95/85/426399585.db2.gz REHCNIFEMKWORF-UHFFFAOYSA-N 1 0 303.362 2.799 20 5 DFBDRO Cc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157077 426402208 /nfs/dbraw/zinc/40/22/08/426402208.db2.gz YPLRDGJDFNIVFY-KRWDZBQOSA-N 1 0 303.406 2.821 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000152711955 426350397 /nfs/dbraw/zinc/35/03/97/426350397.db2.gz MCHDWRAYXLKTKD-OAHLLOKOSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152806713 426354715 /nfs/dbraw/zinc/35/47/15/426354715.db2.gz WWZDERQLSPBPNN-JHJVBQTASA-N 1 0 303.362 2.654 20 5 DFBDRO C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152806434 426355483 /nfs/dbraw/zinc/35/54/83/426355483.db2.gz WWZDERQLSPBPNN-RWMBFGLXSA-N 1 0 303.362 2.654 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1cc2ccccc2o1 ZINC000176288151 426366531 /nfs/dbraw/zinc/36/65/31/426366531.db2.gz SFRDVKXRQMVIBV-UHFFFAOYSA-N 1 0 300.318 2.670 20 5 DFBDRO CC1(c2ccccc2)CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000153775121 426405938 /nfs/dbraw/zinc/40/59/38/426405938.db2.gz ISEQBTXNQLWEDC-UHFFFAOYSA-N 1 0 314.389 2.845 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc([N+](=O)[O-])c1 ZINC000122509856 426379812 /nfs/dbraw/zinc/37/98/12/426379812.db2.gz DBUWPYZKRVVRQT-CQSZACIVSA-N 1 0 319.405 2.755 20 5 DFBDRO CNC(=O)C1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000122531744 426380294 /nfs/dbraw/zinc/38/02/94/426380294.db2.gz VKHBBUBQESVXTC-UHFFFAOYSA-N 1 0 319.405 2.676 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000122528945 426380448 /nfs/dbraw/zinc/38/04/48/426380448.db2.gz PCYCUGHJHOBHBE-JSGCOSHPSA-N 1 0 319.405 2.753 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000153817032 426407422 /nfs/dbraw/zinc/40/74/22/426407422.db2.gz DOHFXUKGBJANTA-LLVKDONJSA-N 1 0 310.785 2.565 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000153817184 426407556 /nfs/dbraw/zinc/40/75/56/426407556.db2.gz DOHFXUKGBJANTA-NSHDSACASA-N 1 0 310.785 2.565 20 5 DFBDRO Cn1cc([C@@H]2CC[N@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C2)cn1 ZINC000153954996 426416264 /nfs/dbraw/zinc/41/62/64/426416264.db2.gz CIYAJUOELHGVKL-GFCCVEGCSA-N 1 0 320.780 2.971 20 5 DFBDRO CC(C)=CCC[C@@H](C)[NH2+][C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000123434197 426433861 /nfs/dbraw/zinc/43/38/61/426433861.db2.gz FMGXIJCGGUATTB-KBRIMQKVSA-N 1 0 322.405 2.714 20 5 DFBDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000177111055 426444601 /nfs/dbraw/zinc/44/46/01/426444601.db2.gz DQZJJSRZTJATDI-MWLCHTKSSA-N 1 0 323.780 2.603 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[N@@H+]1CCCC(C)(C)C1 ZINC000340870186 269024604 /nfs/dbraw/zinc/02/46/04/269024604.db2.gz DXZXAZDVUJAJSJ-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000341060428 269036284 /nfs/dbraw/zinc/03/62/84/269036284.db2.gz NQRBTTAWEQIJHK-BETUJISGSA-N 1 0 305.378 2.588 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000341290394 269061539 /nfs/dbraw/zinc/06/15/39/269061539.db2.gz PGAFRHWPOCJXJX-CHWSQXEVSA-N 1 0 320.393 2.979 20 5 DFBDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774914 426452400 /nfs/dbraw/zinc/45/24/00/426452400.db2.gz MHWKPFWGSIDKBG-OAHLLOKOSA-N 1 0 314.389 2.783 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177488324 426488881 /nfs/dbraw/zinc/48/88/81/426488881.db2.gz KSMKTBBFEUFFAV-CHWSQXEVSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469684 /nfs/dbraw/zinc/46/96/84/426469684.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 1 0 319.405 2.532 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155430345 426470629 /nfs/dbraw/zinc/47/06/29/426470629.db2.gz HSEGGJICVOSJAC-SWLSCSKDSA-N 1 0 319.405 2.616 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)CN2CCCCC2)cc1[N+](=O)[O-] ZINC000098124397 426479686 /nfs/dbraw/zinc/47/96/86/426479686.db2.gz OBMREGFQLYZMOY-CYBMUJFWSA-N 1 0 307.394 2.567 20 5 DFBDRO CCC(=O)c1ccc(N2C[C@H](C)[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000280155525 426509856 /nfs/dbraw/zinc/50/98/56/426509856.db2.gz BNHBNFBQORYTDA-XHDPSFHLSA-N 1 0 305.378 2.574 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H](c1ccccc1)[NH+](C)C ZINC000195331174 426517502 /nfs/dbraw/zinc/51/75/02/426517502.db2.gz CAQUDLGPRCGEDG-AWEZNQCLSA-N 1 0 317.393 2.834 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCCC[NH+]1CCC(C)CC1 ZINC000195338665 426517759 /nfs/dbraw/zinc/51/77/59/426517759.db2.gz UVPCQTGPPWIRAD-UHFFFAOYSA-N 1 0 309.414 2.654 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)NCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000177801390 426523723 /nfs/dbraw/zinc/52/37/23/426523723.db2.gz UEGXRDQMRQGBPK-OAHLLOKOSA-N 1 0 317.345 2.545 20 5 DFBDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000264300709 426532004 /nfs/dbraw/zinc/53/20/04/426532004.db2.gz VNGJCOYKBMHQHD-LBPRGKRZSA-N 1 0 324.377 2.623 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000280299484 426543992 /nfs/dbraw/zinc/54/39/92/426543992.db2.gz FSFITURNNMIZOH-WWGRRREGSA-N 1 0 306.362 2.536 20 5 DFBDRO CCC1(CC)CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000186548514 426548453 /nfs/dbraw/zinc/54/84/53/426548453.db2.gz VSUOGIWQROSVCA-UHFFFAOYSA-N 1 0 307.394 2.659 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c([N+](=O)[O-])c1 ZINC000194697631 426491178 /nfs/dbraw/zinc/49/11/78/426491178.db2.gz UTBFCNWBHOFMFF-IUODEOHRSA-N 1 0 321.333 2.550 20 5 DFBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000177531966 426493091 /nfs/dbraw/zinc/49/30/91/426493091.db2.gz UFIXTWZPJJFSHL-XJKSGUPXSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000178200081 426584684 /nfs/dbraw/zinc/58/46/84/426584684.db2.gz IXZACBDFYAQPSM-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO COC1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265166683 426589029 /nfs/dbraw/zinc/58/90/29/426589029.db2.gz ACZMXXQGFNXNBP-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](CO)c2ccc(F)cc2)cc1 ZINC000273125228 426597878 /nfs/dbraw/zinc/59/78/78/426597878.db2.gz QJIRCUJLTLVRJL-INIZCTEOSA-N 1 0 304.321 2.600 20 5 DFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000273122226 426598112 /nfs/dbraw/zinc/59/81/12/426598112.db2.gz RQQUQZDADOBKRA-ZDUSSCGKSA-N 1 0 310.737 2.973 20 5 DFBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224004 426600851 /nfs/dbraw/zinc/60/08/51/426600851.db2.gz OCBMCUQQQQCYBT-DZGCQCFKSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224016 426601138 /nfs/dbraw/zinc/60/11/38/426601138.db2.gz OCBMCUQQQQCYBT-UKRRQHHQSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000265224010 426601280 /nfs/dbraw/zinc/60/12/80/426601280.db2.gz OCBMCUQQQQCYBT-HIFRSBDPSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273214364 426617353 /nfs/dbraw/zinc/61/73/53/426617353.db2.gz CBOUBMIBBNGDEM-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000226789264 426622114 /nfs/dbraw/zinc/62/21/14/426622114.db2.gz WUFRMHCCIVORPL-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCCCC2)cc1[N+](=O)[O-] ZINC000178022169 426555732 /nfs/dbraw/zinc/55/57/32/426555732.db2.gz MSAGKWPGQAUPBJ-CYBMUJFWSA-N 1 0 305.378 2.566 20 5 DFBDRO CC(C)C[NH+](CC(C)C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000216395900 426559680 /nfs/dbraw/zinc/55/96/80/426559680.db2.gz HEMUAVSNWDVOJG-HNNXBMFYSA-N 1 0 324.421 2.949 20 5 DFBDRO Cc1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000272566776 426560127 /nfs/dbraw/zinc/56/01/27/426560127.db2.gz RLCAPTJWJBQCDD-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(=O)c1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000272576493 426563128 /nfs/dbraw/zinc/56/31/28/426563128.db2.gz XOAONRRUMOZQHV-UHFFFAOYSA-N 1 0 305.378 2.941 20 5 DFBDRO CC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000273302127 426639337 /nfs/dbraw/zinc/63/93/37/426639337.db2.gz ZYBHRQNUZLHFKM-MRXNPFEDSA-N 1 0 319.405 2.894 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000289407026 426649224 /nfs/dbraw/zinc/64/92/24/426649224.db2.gz HIJIHWPSZNFZRJ-CYBMUJFWSA-N 1 0 315.373 2.991 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000265513623 426649502 /nfs/dbraw/zinc/64/95/02/426649502.db2.gz PVXZNBNNGCCBBJ-CYBMUJFWSA-N 1 0 305.378 2.508 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ncc([N+](=O)[O-])cc1Cl)c1ccco1 ZINC000265537757 426652311 /nfs/dbraw/zinc/65/23/11/426652311.db2.gz OHPFCZFZNWETNJ-NSHDSACASA-N 1 0 310.741 2.951 20 5 DFBDRO Cc1cc(NCC2([NH3+])CCC2)c(Br)cc1[N+](=O)[O-] ZINC000235866223 426662833 /nfs/dbraw/zinc/66/28/33/426662833.db2.gz WHOCVCRWOFZYFA-UHFFFAOYSA-N 1 0 314.183 2.959 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000273450197 426666101 /nfs/dbraw/zinc/66/61/01/426666101.db2.gz CKEBKQAAMSQBHU-OAHLLOKOSA-N 1 0 303.362 2.716 20 5 DFBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273461732 426666552 /nfs/dbraw/zinc/66/65/52/426666552.db2.gz NDPONUIWMIDUAP-UHFFFAOYSA-N 1 0 324.356 2.728 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000273463322 426669252 /nfs/dbraw/zinc/66/92/52/426669252.db2.gz NIHSULNRRKHIPL-LLVKDONJSA-N 1 0 324.356 2.539 20 5 DFBDRO CC(C)c1ccc(CN2CCO[C@@]3(CCOC3)C2)cc1[N+](=O)[O-] ZINC000187545542 426670187 /nfs/dbraw/zinc/67/01/87/426670187.db2.gz BNZFHSJKQJYRPF-KRWDZBQOSA-N 1 0 320.389 2.710 20 5 DFBDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000236702425 426678841 /nfs/dbraw/zinc/67/88/41/426678841.db2.gz TVPQBQIZHXUPCT-GFCCVEGCSA-N 1 0 307.394 2.846 20 5 DFBDRO CCn1cc([C@@H](C)NCc2cc([N+](=O)[O-])ccc2OC)cn1 ZINC000178729750 426684046 /nfs/dbraw/zinc/68/40/46/426684046.db2.gz MJTMFBVEKWDASM-LLVKDONJSA-N 1 0 304.350 2.671 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000273248216 426625314 /nfs/dbraw/zinc/62/53/14/426625314.db2.gz GPZFZSSJOIYBKV-HIFRSBDPSA-N 1 0 322.405 2.832 20 5 DFBDRO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000227690404 426629172 /nfs/dbraw/zinc/62/91/72/426629172.db2.gz GXBTVWKQELGRSL-SECBINFHSA-N 1 0 315.395 2.659 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000178761779 426690895 /nfs/dbraw/zinc/69/08/95/426690895.db2.gz AKKHIIRCLCVYND-AWEZNQCLSA-N 1 0 321.421 2.665 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@H](c2ccccc2)[NH+]2CCCC2)nc1 ZINC000273568338 426688350 /nfs/dbraw/zinc/68/83/50/426688350.db2.gz CTXRCPVYLSDLDG-OAHLLOKOSA-N 1 0 313.361 2.634 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000281148722 426702710 /nfs/dbraw/zinc/70/27/10/426702710.db2.gz ATCZPSRHVLUDPT-BLLLJJGKSA-N 1 0 317.389 2.573 20 5 DFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000265944749 426714931 /nfs/dbraw/zinc/71/49/31/426714931.db2.gz GKZSKFNCLBQKDM-ZDUSSCGKSA-N 1 0 310.737 2.973 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000266007246 426720095 /nfs/dbraw/zinc/72/00/95/426720095.db2.gz NDRHRYYFPQMWDJ-UHFFFAOYSA-N 1 0 319.405 2.848 20 5 DFBDRO CCC[NH2+]CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179265262 426773233 /nfs/dbraw/zinc/77/32/33/426773233.db2.gz KFJCUVDVTXEABN-UHFFFAOYSA-N 1 0 307.375 2.539 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1csc([N+](=O)[O-])c1 ZINC000178994198 426730979 /nfs/dbraw/zinc/73/09/79/426730979.db2.gz PRTMJYJTZYXVBD-GFCCVEGCSA-N 1 0 311.407 2.507 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1cccc([N+](=O)[O-])c1 ZINC000245438443 426738373 /nfs/dbraw/zinc/73/83/73/426738373.db2.gz SEWLYBLVTLDALS-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO COc1cc(C[NH2+]CCCC(F)(F)F)c([N+](=O)[O-])cc1O ZINC000266586342 426745970 /nfs/dbraw/zinc/74/59/70/426745970.db2.gz MLLMRIPFVXQHNT-UHFFFAOYSA-N 1 0 308.256 2.741 20 5 DFBDRO Cc1c(C(=O)N[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000274538630 426789186 /nfs/dbraw/zinc/78/91/86/426789186.db2.gz VLQDBMCFUOKVSL-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000245987958 426789483 /nfs/dbraw/zinc/78/94/83/426789483.db2.gz HNWIMRFCJKBWME-HOCLYGCPSA-N 1 0 319.405 2.532 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000188920388 426799797 /nfs/dbraw/zinc/79/97/97/426799797.db2.gz OLFVSXRSTJXXRV-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000266937948 426800910 /nfs/dbraw/zinc/80/09/10/426800910.db2.gz AJSRVWNJFGMZFM-SNVBAGLBSA-N 1 0 303.284 2.754 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282098607 426830661 /nfs/dbraw/zinc/83/06/61/426830661.db2.gz PCCLPEFADANQLP-INIZCTEOSA-N 1 0 320.389 2.913 20 5 DFBDRO CC[N@@H+]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000267264242 426858024 /nfs/dbraw/zinc/85/80/24/426858024.db2.gz XRNRYXWIZASSGL-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000295186956 426854666 /nfs/dbraw/zinc/85/46/66/426854666.db2.gz IJAGONFYULPOKB-ZDUSSCGKSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000290857073 426856415 /nfs/dbraw/zinc/85/64/15/426856415.db2.gz YCGMELRPOYDXET-ZYHUDNBSSA-N 1 0 303.362 2.835 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000246025708 426791491 /nfs/dbraw/zinc/79/14/91/426791491.db2.gz NEZMVJQUTRLDRQ-CJNGLKHVSA-N 1 0 317.389 2.822 20 5 DFBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCn1ccnc1 ZINC000290557728 426792457 /nfs/dbraw/zinc/79/24/57/426792457.db2.gz SEUSSRDZZSIKPN-QPJJXVBHSA-N 1 0 300.362 2.827 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000282239591 426859667 /nfs/dbraw/zinc/85/96/67/426859667.db2.gz ZWSOYOXHOJEJTD-INIZCTEOSA-N 1 0 320.389 2.913 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000290951808 426872419 /nfs/dbraw/zinc/87/24/19/426872419.db2.gz QARYESKKUDBLDH-CYBMUJFWSA-N 1 0 321.421 2.717 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1ncc([N+](=O)[O-])cc1Cl ZINC000267557347 426883355 /nfs/dbraw/zinc/88/33/55/426883355.db2.gz TWQQCXXQAOJWOV-MNOVXSKESA-N 1 0 310.785 2.706 20 5 DFBDRO CC(=O)N(C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000275809766 426925678 /nfs/dbraw/zinc/92/56/78/426925678.db2.gz UCMGYDCMTDJBFB-QGZVFWFLSA-N 1 0 317.389 2.570 20 5 DFBDRO Cc1c(C[NH2+][C@@]2(CO)CCc3ccccc32)cccc1[N+](=O)[O-] ZINC000305238807 426901542 /nfs/dbraw/zinc/90/15/42/426901542.db2.gz PELVMRZIPPGRKK-GOSISDBHSA-N 1 0 312.369 2.827 20 5 DFBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000291528503 426903904 /nfs/dbraw/zinc/90/39/04/426903904.db2.gz JVYZLVROOWFASP-LLVKDONJSA-N 1 0 305.161 2.762 20 5 DFBDRO C[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC000291683603 426950490 /nfs/dbraw/zinc/95/04/90/426950490.db2.gz NCIBDAVQNGSBCP-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO CCOC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189805588 426954463 /nfs/dbraw/zinc/95/44/63/426954463.db2.gz XJMYHOIRFBXCCK-IUODEOHRSA-N 1 0 323.393 2.573 20 5 DFBDRO CCOC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189805540 426954797 /nfs/dbraw/zinc/95/47/97/426954797.db2.gz XJMYHOIRFBXCCK-WFASDCNBSA-N 1 0 323.393 2.573 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000283116595 426956911 /nfs/dbraw/zinc/95/69/11/426956911.db2.gz MRTHNNNYXWPWPR-VXGBXAGGSA-N 1 0 324.377 2.671 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CSC1(C)C ZINC000283140744 426960399 /nfs/dbraw/zinc/96/03/99/426960399.db2.gz HEBWWJXFJXTYJD-GWCFXTLKSA-N 1 0 323.418 2.796 20 5 DFBDRO C[C@@H]1CN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1[NH+](C)C ZINC000268282238 426973972 /nfs/dbraw/zinc/97/39/72/426973972.db2.gz WPKCVSIIRJAPEU-IAQYHMDHSA-N 1 0 300.362 2.529 20 5 DFBDRO C[N@@H+]1CCC[C@H]2CN(Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247009 426983237 /nfs/dbraw/zinc/98/32/37/426983237.db2.gz VBEGFULHGZDRPL-ZFWWWQNUSA-N 1 0 307.369 2.650 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293607 426991884 /nfs/dbraw/zinc/99/18/84/426991884.db2.gz YBBVGFAIVUEIDU-DOMZBBRYSA-N 1 0 309.385 2.896 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1[N+](=O)[O-] ZINC000189693746 426927562 /nfs/dbraw/zinc/92/75/62/426927562.db2.gz YQPFUKUWMMWKGP-LBPRGKRZSA-N 1 0 319.405 2.931 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000181298831 426933301 /nfs/dbraw/zinc/93/33/01/426933301.db2.gz CFKRXLUNHGLVBS-GFCCVEGCSA-N 1 0 314.345 2.588 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000337709295 426935006 /nfs/dbraw/zinc/93/50/06/426935006.db2.gz BQGHCYXKMOCDPP-UHFFFAOYSA-N 1 0 323.356 2.524 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCNC(=O)CC1 ZINC000295536334 426997695 /nfs/dbraw/zinc/99/76/95/426997695.db2.gz NWIPBQWPYZZQED-HNNXBMFYSA-N 1 0 319.405 2.722 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000248474814 427004076 /nfs/dbraw/zinc/00/40/76/427004076.db2.gz XKFHCYMATWMHBJ-RBSFLKMASA-N 1 0 320.389 2.599 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(C)=O)C1 ZINC000283418947 427010724 /nfs/dbraw/zinc/01/07/24/427010724.db2.gz ARAJAKDFSVAVGX-ZDUSSCGKSA-N 1 0 305.378 2.575 20 5 DFBDRO Cc1nc(NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000268448489 427021328 /nfs/dbraw/zinc/02/13/28/427021328.db2.gz FNAYMNPHIYTGOT-VXGBXAGGSA-N 1 0 322.409 2.598 20 5 DFBDRO CCC(CC)(CC)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000182188164 427021825 /nfs/dbraw/zinc/02/18/25/427021825.db2.gz IQMFYNGNRWFNMS-CYBMUJFWSA-N 1 0 310.394 2.893 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000291961584 427040011 /nfs/dbraw/zinc/04/00/11/427040011.db2.gz RJAQZHXLNYNNHH-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO C[N@H+](CCn1cc(Cl)cc([N+](=O)[O-])c1=O)Cc1ccccc1 ZINC000296007318 427042817 /nfs/dbraw/zinc/04/28/17/427042817.db2.gz NFYKDGKLWLXRAV-UHFFFAOYSA-N 1 0 321.764 2.542 20 5 DFBDRO CC(C)[N@H+](CCc1ccnn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000283628379 427044653 /nfs/dbraw/zinc/04/46/53/427044653.db2.gz BGBUPISUOCGULU-UHFFFAOYSA-N 1 0 302.378 2.781 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])s1)c1cccc(F)c1 ZINC000190302999 427067307 /nfs/dbraw/zinc/06/73/07/427067307.db2.gz MOCMFOOKPDHZTE-LLVKDONJSA-N 1 0 310.354 2.905 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1[N+](=O)[O-] ZINC000292064161 427076022 /nfs/dbraw/zinc/07/60/22/427076022.db2.gz KLWRUICYAPYHPJ-JTQLQIEISA-N 1 0 311.407 2.564 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000182603522 427109753 /nfs/dbraw/zinc/10/97/53/427109753.db2.gz NBLCZGUXPTUGQW-QWHCGFSZSA-N 1 0 320.345 2.587 20 5 DFBDRO CC(C)C[NH+]1CCC(N[C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000283984538 427110492 /nfs/dbraw/zinc/11/04/92/427110492.db2.gz HAUJFHZARMLBII-ZDUSSCGKSA-N 1 0 320.437 2.948 20 5 DFBDRO CC(C)([NH2+]C[C@H]1CC2(CCC2)C(=O)O1)c1ccccc1[N+](=O)[O-] ZINC000292195889 427125376 /nfs/dbraw/zinc/12/53/76/427125376.db2.gz RVAUBOMLEKYLPZ-GFCCVEGCSA-N 1 0 318.373 2.905 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000296278486 427134749 /nfs/dbraw/zinc/13/47/49/427134749.db2.gz YRNPVBDQKIVHHO-SNVBAGLBSA-N 1 0 313.785 2.707 20 5 DFBDRO CC[C@H](C(=O)N(C)CCc1cccc([N+](=O)[O-])c1)[NH+](CC)CC ZINC000338155120 427160819 /nfs/dbraw/zinc/16/08/19/427160819.db2.gz UBDBNSYHDMALIA-MRXNPFEDSA-N 1 0 321.421 2.716 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284127936 427140932 /nfs/dbraw/zinc/14/09/32/427140932.db2.gz OCCPXWMOQCHLCQ-LLVKDONJSA-N 1 0 301.346 2.520 20 5 DFBDRO CC(C)([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292266995 427152348 /nfs/dbraw/zinc/15/23/48/427152348.db2.gz ZEJOFAVACBTYND-SECBINFHSA-N 1 0 306.284 2.733 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284197341 427153164 /nfs/dbraw/zinc/15/31/64/427153164.db2.gz RXPCLNFNZKRKOX-JTQLQIEISA-N 1 0 309.366 2.559 20 5 DFBDRO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000269273984 427157999 /nfs/dbraw/zinc/15/79/99/427157999.db2.gz NULDXLLERUYHGO-GWCFXTLKSA-N 1 0 317.345 2.588 20 5 DFBDRO COc1ccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)cc1[N+](=O)[O-] ZINC000268827125 427130701 /nfs/dbraw/zinc/13/07/01/427130701.db2.gz NLACZSIQQNOPGI-JTQLQIEISA-N 1 0 316.361 2.861 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532410 271076731 /nfs/dbraw/zinc/07/67/31/271076731.db2.gz AGSKZFSZIPVWLW-CJNGLKHVSA-N 1 0 307.369 2.650 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174269065 271134964 /nfs/dbraw/zinc/13/49/64/271134964.db2.gz FWDRAAWWHKSMQO-OAHLLOKOSA-N 1 0 320.389 2.601 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174269080 271135744 /nfs/dbraw/zinc/13/57/44/271135744.db2.gz FWDRAAWWHKSMQO-HNNXBMFYSA-N 1 0 320.389 2.601 20 5 DFBDRO Cc1ccc(C[C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000174870382 271141113 /nfs/dbraw/zinc/14/11/13/271141113.db2.gz KTFXVRBJDWSTCT-CQSZACIVSA-N 1 0 302.378 2.663 20 5 DFBDRO C[C@H](C(=O)NCCc1cccc([N+](=O)[O-])c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000270504737 271300745 /nfs/dbraw/zinc/30/07/45/271300745.db2.gz IOPUWZMOIWDRQT-HZSPNIEDSA-N 1 0 319.405 2.515 20 5 DFBDRO CCC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)CC1 ZINC000270554072 271309028 /nfs/dbraw/zinc/30/90/28/271309028.db2.gz HTNRJTRNSLRJCY-UHFFFAOYSA-N 1 0 307.394 2.657 20 5 DFBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284273463 427170612 /nfs/dbraw/zinc/17/06/12/427170612.db2.gz XOOIDHMKOKGBMU-OCCSQVGLSA-N 1 0 309.322 2.550 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)C(F)F ZINC000296288577 271351839 /nfs/dbraw/zinc/35/18/39/271351839.db2.gz FIHZCNYFGIDJJV-MELADBBJSA-N 1 0 314.332 2.966 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252667224 427192279 /nfs/dbraw/zinc/19/22/79/427192279.db2.gz HEYCIGSDQZNAFK-OLZOCXBDSA-N 1 0 309.797 2.965 20 5 DFBDRO COCCCOCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183092096 427197826 /nfs/dbraw/zinc/19/78/26/427197826.db2.gz WQCPAHZUUSGWAR-CQSZACIVSA-N 1 0 310.394 2.949 20 5 DFBDRO CCNC(=O)C1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000277442371 427207010 /nfs/dbraw/zinc/20/70/10/427207010.db2.gz OMBQBKRHMDPUSB-VMPITWQZSA-N 1 0 317.389 2.504 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183162381 427212959 /nfs/dbraw/zinc/21/29/59/427212959.db2.gz WHCFTKWEQVYQTD-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000293159914 427227512 /nfs/dbraw/zinc/22/75/12/427227512.db2.gz UUIZBEMLIOWCRQ-UONOGXRCSA-N 1 0 317.389 2.704 20 5 DFBDRO CC1(C)C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@@H]2CCC[C@H]21 ZINC000293159917 427231609 /nfs/dbraw/zinc/23/16/09/427231609.db2.gz UUIZBEMLIOWCRQ-ZIAGYGMSSA-N 1 0 317.389 2.704 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000285464471 427241195 /nfs/dbraw/zinc/24/11/95/427241195.db2.gz ZNCMJTYQZOOYGU-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCO[C@@H](c2nccs2)C1 ZINC000183319333 427244542 /nfs/dbraw/zinc/24/45/42/427244542.db2.gz BBVAQWGJWONSDG-CQSZACIVSA-N 1 0 319.386 2.933 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338301140 427244813 /nfs/dbraw/zinc/24/48/13/427244813.db2.gz GHNGLOBFRUOTHQ-ZJUUUORDSA-N 1 0 314.769 2.926 20 5 DFBDRO COc1ccc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1[N+](=O)[O-] ZINC000330456789 427244872 /nfs/dbraw/zinc/24/48/72/427244872.db2.gz OAYVMLKGZFOZLL-HNNXBMFYSA-N 1 0 320.389 2.852 20 5 DFBDRO C[NH+](C)[C@@]1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCSC1 ZINC000269666853 427246522 /nfs/dbraw/zinc/24/65/22/427246522.db2.gz WDAAOGZVVOLQBI-CYBMUJFWSA-N 1 0 317.361 2.722 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000337338309 271496998 /nfs/dbraw/zinc/49/69/98/271496998.db2.gz NTDGQMBGSIQBCO-AWEZNQCLSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)c2cc([N+](=O)[O-])c(C)s2)CC1 ZINC000330500659 427252643 /nfs/dbraw/zinc/25/26/43/427252643.db2.gz QJCMFMCGHZHMFC-UHFFFAOYSA-N 1 0 311.407 2.521 20 5 DFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285519006 427258769 /nfs/dbraw/zinc/25/87/69/427258769.db2.gz OCUOEXXKGFVTPD-XYPWUTKMSA-N 1 0 319.405 2.531 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000269758879 427270095 /nfs/dbraw/zinc/27/00/95/427270095.db2.gz ILWWKSQDAFYYDD-KBPBESRZSA-N 1 0 315.377 2.660 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000330664857 427287546 /nfs/dbraw/zinc/28/75/46/427287546.db2.gz GODYBZQPWAWFSI-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO CN(C(=O)C[NH2+][C@H]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000191293293 427310301 /nfs/dbraw/zinc/31/03/01/427310301.db2.gz IHIGURUVYFWKFG-AWEZNQCLSA-N 1 0 305.378 2.726 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000297030079 427310504 /nfs/dbraw/zinc/31/05/04/427310504.db2.gz SAQDRYPCGFNWSF-VFNNOXKTSA-N 1 0 317.389 2.551 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+][C@@H](CCO)C2CCCCC2)c1 ZINC000183729415 427327941 /nfs/dbraw/zinc/32/79/41/427327941.db2.gz LFDGZRHSURTCDZ-IRXDYDNUSA-N 1 0 322.405 2.549 20 5 DFBDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000338449842 427329877 /nfs/dbraw/zinc/32/98/77/427329877.db2.gz KTAYEKCGQZTWRJ-MRXNPFEDSA-N 1 0 319.405 2.979 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000191391762 427337298 /nfs/dbraw/zinc/33/72/98/427337298.db2.gz HNUYNGHGNGLKBX-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO C[C@@H]1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)[C@@H](C[NH3+])C1 ZINC000261710139 427338557 /nfs/dbraw/zinc/33/85/57/427338557.db2.gz GDWUUVICWXVANI-ZWNOBZJWSA-N 1 0 317.345 2.540 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc4ncccc4c3[N+](=O)[O-])C[C@H]21 ZINC000261860089 427345028 /nfs/dbraw/zinc/34/50/28/427345028.db2.gz KHRQFNNZIQHJRL-IACUBPJLSA-N 1 0 312.373 2.707 20 5 DFBDRO CC(=O)N[C@H](C)C1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000331126212 427350807 /nfs/dbraw/zinc/35/08/07/427350807.db2.gz QNBMIHTWEAEZHJ-CYBMUJFWSA-N 1 0 319.405 2.640 20 5 DFBDRO C[C@H](NC1CC[NH+](C2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293576730 427370656 /nfs/dbraw/zinc/37/06/56/427370656.db2.gz DRYXTDXMMLQMJQ-LBPRGKRZSA-N 1 0 318.421 2.845 20 5 DFBDRO COC(=O)C(C)(C)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338543763 427371907 /nfs/dbraw/zinc/37/19/07/427371907.db2.gz DNSDEFGBBHIBEC-UHFFFAOYSA-N 1 0 306.362 2.542 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc([N+](=O)[O-])c1 ZINC000277994929 427379077 /nfs/dbraw/zinc/37/90/77/427379077.db2.gz RNGANVIZFLWNAR-HNNXBMFYSA-N 1 0 317.389 2.650 20 5 DFBDRO CC(C)[N@H+](CCc1cncn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000297298763 427391935 /nfs/dbraw/zinc/39/19/35/427391935.db2.gz BDNMCIJWKGHLDR-UHFFFAOYSA-N 1 0 302.378 2.781 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000297299624 427392280 /nfs/dbraw/zinc/39/22/80/427392280.db2.gz YJSOWDLUXJRWCP-CYBMUJFWSA-N 1 0 314.389 2.921 20 5 DFBDRO COc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271091784 427401934 /nfs/dbraw/zinc/40/19/34/427401934.db2.gz LDUJTNARXHIZAT-LBPRGKRZSA-N 1 0 323.368 2.807 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297445008 427404842 /nfs/dbraw/zinc/40/48/42/427404842.db2.gz IYYOQSHWHDZSSC-YPMHNXCESA-N 1 0 315.377 2.534 20 5 DFBDRO CC1(C)CC[C@@H]([NH+]2CCN(c3ncccc3[N+](=O)[O-])CC2)C1 ZINC000331403174 427404837 /nfs/dbraw/zinc/40/48/37/427404837.db2.gz PRXNIBUEWRIPFI-CYBMUJFWSA-N 1 0 304.394 2.691 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297623062 427416696 /nfs/dbraw/zinc/41/66/96/427416696.db2.gz WLQLELNAQHYLCK-YPMHNXCESA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000331191048 427366439 /nfs/dbraw/zinc/36/64/39/427366439.db2.gz QYBAOYSIYAFJLC-BETUJISGSA-N 1 0 319.405 2.819 20 5 DFBDRO C[C@H]1CCSCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000286208343 427454891 /nfs/dbraw/zinc/45/48/91/427454891.db2.gz QKZXQVNGOGKBBX-LBPRGKRZSA-N 1 0 323.418 2.751 20 5 DFBDRO COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000278806355 427459736 /nfs/dbraw/zinc/45/97/36/427459736.db2.gz NGIROUMHFIWMJL-YESZJQIVSA-N 1 0 320.389 2.756 20 5 DFBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000286231723 427461038 /nfs/dbraw/zinc/46/10/38/427461038.db2.gz ZFGMCXCJJLROCY-YSVLISHTSA-N 1 0 322.405 2.644 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCC(N)=O)CC1 ZINC000271245335 427464793 /nfs/dbraw/zinc/46/47/93/427464793.db2.gz QEGOOVNAJZUEQN-GFCCVEGCSA-N 1 0 305.378 2.633 20 5 DFBDRO O=[N+]([O-])c1c(NCCCCC[NH+]2CCCC2)nc2sccn21 ZINC000338760354 427471969 /nfs/dbraw/zinc/47/19/69/427471969.db2.gz YWEYZTWOOMSPBN-UHFFFAOYSA-N 1 0 323.422 2.982 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000286279758 427478415 /nfs/dbraw/zinc/47/84/15/427478415.db2.gz HZLPAMSFGJRABS-SWLSCSKDSA-N 1 0 317.389 2.860 20 5 DFBDRO C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)[C@H]1C ZINC000331686318 427478494 /nfs/dbraw/zinc/47/84/94/427478494.db2.gz VMZADUXTMCGNKS-RYUDHWBXSA-N 1 0 319.361 2.623 20 5 DFBDRO CC[C@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000340674041 271744469 /nfs/dbraw/zinc/74/44/69/271744469.db2.gz DNJKRBCTKLJMEX-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1noc(CCC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000278871622 427483436 /nfs/dbraw/zinc/48/34/36/427483436.db2.gz XDFJCPFSKQGQJL-OAHLLOKOSA-N 1 0 316.361 2.886 20 5 DFBDRO COc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c(F)cc1[N+](=O)[O-] ZINC000286307699 427486157 /nfs/dbraw/zinc/48/61/57/427486157.db2.gz JYDKMVMONXQIIL-NEPJUHHUSA-N 1 0 323.368 2.806 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000297692997 427429233 /nfs/dbraw/zinc/42/92/33/427429233.db2.gz AICYPEZQZBTMJA-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO CC[N@H+](CCNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000340956521 271765923 /nfs/dbraw/zinc/76/59/23/271765923.db2.gz OHMPCJICQGPHGQ-CYBMUJFWSA-N 1 0 322.409 2.685 20 5 DFBDRO Cc1sc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000331523943 427431338 /nfs/dbraw/zinc/43/13/38/427431338.db2.gz DDMDHAVSYMPOGV-RYUDHWBXSA-N 1 0 323.418 2.569 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2(O)CCCCC2)n1 ZINC000332068151 427501566 /nfs/dbraw/zinc/50/15/66/427501566.db2.gz URQKHXPLUJBCLS-ZIAGYGMSSA-N 1 0 322.409 2.560 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000271352448 427508904 /nfs/dbraw/zinc/50/89/04/427508904.db2.gz HSLPBMJXWQZRHH-OLZOCXBDSA-N 1 0 308.378 2.898 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)nn1C ZINC000341365699 271813084 /nfs/dbraw/zinc/81/30/84/271813084.db2.gz QVYQYILVMKITTE-GHXNOFRVSA-N 1 0 300.362 2.830 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184672009 427515137 /nfs/dbraw/zinc/51/51/37/427515137.db2.gz IVHURGLDNOJWQJ-GXTWGEPZSA-N 1 0 308.378 2.503 20 5 DFBDRO Cc1n[nH]c(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)n1 ZINC000278962397 427515986 /nfs/dbraw/zinc/51/59/86/427515986.db2.gz BIUBFXHBINCSNO-AWEZNQCLSA-N 1 0 315.377 2.576 20 5 DFBDRO C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC12CCC2 ZINC000271383863 427519983 /nfs/dbraw/zinc/51/99/83/427519983.db2.gz UFYNPKMCCDZLAQ-LBPRGKRZSA-N 1 0 317.389 2.706 20 5 DFBDRO COC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184713732 427524946 /nfs/dbraw/zinc/52/49/46/427524946.db2.gz RZZPCWQIIDNGMF-ZDUSSCGKSA-N 1 0 320.345 2.852 20 5 DFBDRO CCc1nc(CC[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)no1 ZINC000271418502 427529320 /nfs/dbraw/zinc/52/93/20/427529320.db2.gz BFQTWUBGZRCGTF-CYBMUJFWSA-N 1 0 304.350 2.824 20 5 DFBDRO Cc1ccccc1[C@H]1CC[N@@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000332170368 427530789 /nfs/dbraw/zinc/53/07/89/427530789.db2.gz YACSMFHDUWUHHL-ZDUSSCGKSA-N 1 0 300.362 2.626 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000271438324 427538845 /nfs/dbraw/zinc/53/88/45/427538845.db2.gz BPGWYIDHSZETQN-QWHCGFSZSA-N 1 0 305.378 2.821 20 5 DFBDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271444222 427542250 /nfs/dbraw/zinc/54/22/50/427542250.db2.gz DTMRMVLNIHVDLP-DZGCQCFKSA-N 1 0 305.378 2.645 20 5 DFBDRO Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000279063306 427544590 /nfs/dbraw/zinc/54/45/90/427544590.db2.gz NPWHIEDJMSOUIX-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO COCCC[NH+]1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000263714090 427549096 /nfs/dbraw/zinc/54/90/96/427549096.db2.gz AELQSLOJJGWOLW-UHFFFAOYSA-N 1 0 307.394 2.816 20 5 DFBDRO Cc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000279074202 427551605 /nfs/dbraw/zinc/55/16/05/427551605.db2.gz OVVXCVWDUQWSBE-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000279258020 427618708 /nfs/dbraw/zinc/61/87/08/427618708.db2.gz URWXLOJVBZGOIW-NOLJZWGESA-N 1 0 319.405 2.892 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCSCCCO)CCC2 ZINC000192837793 427620346 /nfs/dbraw/zinc/62/03/46/427620346.db2.gz HOIDOORIEJHLLR-HNNXBMFYSA-N 1 0 310.419 2.677 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000192834068 427621069 /nfs/dbraw/zinc/62/10/69/427621069.db2.gz DQXIOWDFBILDKR-SWLSCSKDSA-N 1 0 307.394 2.892 20 5 DFBDRO CC(C)C[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000298471119 427622067 /nfs/dbraw/zinc/62/20/67/427622067.db2.gz PUMRXJZRPRHKLX-UHFFFAOYSA-N 1 0 307.394 2.924 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc([C@H]3CCCN3C3CC3)n2)cc1 ZINC000279088352 427557238 /nfs/dbraw/zinc/55/72/38/427557238.db2.gz VZAQDKXAIIDOHD-CYBMUJFWSA-N 1 0 300.318 2.944 20 5 DFBDRO Cc1sc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000332270718 427562517 /nfs/dbraw/zinc/56/25/17/427562517.db2.gz CIZBCEJOFBMBLF-UHFFFAOYSA-N 1 0 311.407 2.523 20 5 DFBDRO C[C@H](C(=O)Nc1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCCC1 ZINC000332297130 427570646 /nfs/dbraw/zinc/57/06/46/427570646.db2.gz GNYISLUAHFIYQC-LLVKDONJSA-N 1 0 309.341 2.937 20 5 DFBDRO CCOc1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])c1 ZINC000263823479 427584846 /nfs/dbraw/zinc/58/48/46/427584846.db2.gz YSPOIAHGWPKIJW-UHFFFAOYSA-N 1 0 323.393 2.910 20 5 DFBDRO COCCO[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000338951828 427585068 /nfs/dbraw/zinc/58/50/68/427585068.db2.gz CHWQATXZEIJRTK-OUOZUETKSA-N 1 0 320.389 2.735 20 5 DFBDRO COC(=O)C1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000279182714 427587160 /nfs/dbraw/zinc/58/71/60/427587160.db2.gz IOEZQIMJVIAORN-UHFFFAOYSA-N 1 0 304.346 2.512 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@@]2(O)CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279198056 427592593 /nfs/dbraw/zinc/59/25/93/427592593.db2.gz XBWXLMGDVHSWDW-HOCLYGCPSA-N 1 0 322.430 2.775 20 5 DFBDRO CC(=O)c1cc(N(C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000287420715 427604331 /nfs/dbraw/zinc/60/43/31/427604331.db2.gz UCLOCQMZVAMTHW-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2C[C@@H]2C(F)F)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000342227667 271970666 /nfs/dbraw/zinc/97/06/66/271970666.db2.gz KMDKZWLXAARVMM-STQMWFEESA-N 1 0 322.315 2.739 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(CO)c1ccccc1 ZINC000342230599 271971582 /nfs/dbraw/zinc/97/15/82/271971582.db2.gz QRHHFOYGAMJTEP-SFHVURJKSA-N 1 0 314.385 2.943 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@@H+]2CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000264123778 427664061 /nfs/dbraw/zinc/66/40/61/427664061.db2.gz VSLUFSNFJUVDOQ-INIZCTEOSA-N 1 0 300.362 2.708 20 5 DFBDRO COC[C@@](C)([NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342405823 272006030 /nfs/dbraw/zinc/00/60/30/272006030.db2.gz JLMDNHHRFLNNMH-NSHDSACASA-N 1 0 308.165 2.677 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C[C@@H]1C ZINC000342483228 272017650 /nfs/dbraw/zinc/01/76/50/272017650.db2.gz YSAAKZWBDWJURE-RYUDHWBXSA-N 1 0 305.378 2.716 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000342623759 272032148 /nfs/dbraw/zinc/03/21/48/272032148.db2.gz VTDFXKOUEHCGLN-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[NH2+][C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000342650502 272036271 /nfs/dbraw/zinc/03/62/71/272036271.db2.gz KZLFISINJUPDLP-CQDKDKBSSA-N 1 0 305.378 2.550 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193102782 427666616 /nfs/dbraw/zinc/66/66/16/427666616.db2.gz CVXMJZUZMPOZHC-OAHLLOKOSA-N 1 0 319.405 2.724 20 5 DFBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])c(N)c1F ZINC000343265134 272108421 /nfs/dbraw/zinc/10/84/21/272108421.db2.gz MQAMPRGOCWLPOR-UHFFFAOYSA-N 1 0 310.373 2.628 20 5 DFBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2cccnc2)cc1[N+](=O)[O-] ZINC000343382529 272132301 /nfs/dbraw/zinc/13/23/01/272132301.db2.gz GCKDRCCAYCAVLX-NVXWUHKLSA-N 1 0 313.357 2.918 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343446128 272148792 /nfs/dbraw/zinc/14/87/92/272148792.db2.gz LWGCXYWMUHLIQP-UONOGXRCSA-N 1 0 319.405 2.733 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)N1CCCC1 ZINC000343490730 272159212 /nfs/dbraw/zinc/15/92/12/272159212.db2.gz ATCZPSRHVLUDPT-MLGOLLRUSA-N 1 0 317.389 2.573 20 5 DFBDRO C[C@H]1CCCCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000343529681 272165282 /nfs/dbraw/zinc/16/52/82/272165282.db2.gz ASASMVYUYPKCOT-UONOGXRCSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)n1 ZINC000343600663 272181207 /nfs/dbraw/zinc/18/12/07/272181207.db2.gz DZLPEZUSQBXBNX-ZIAGYGMSSA-N 1 0 304.394 2.670 20 5 DFBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616490 427679149 /nfs/dbraw/zinc/67/91/49/427679149.db2.gz JPHJTURZQUMBFP-RISCZKNCSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000185619083 427680550 /nfs/dbraw/zinc/68/05/50/427680550.db2.gz AKTZNIRZTRNZQB-SWLSCSKDSA-N 1 0 317.389 2.604 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000344056795 272253510 /nfs/dbraw/zinc/25/35/10/272253510.db2.gz CBRBYIHYOSBUFP-UHFFFAOYSA-N 1 0 312.329 2.910 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccccc2O)cc1[N+](=O)[O-] ZINC000344155466 272274994 /nfs/dbraw/zinc/27/49/94/272274994.db2.gz UNNAZNIBMCHTKZ-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCC(C(F)(F)F)CC1 ZINC000344190985 272283251 /nfs/dbraw/zinc/28/32/51/272283251.db2.gz YPNCQPIGLLRBFH-UHFFFAOYSA-N 1 0 320.315 2.844 20 5 DFBDRO CC[C@@]1(C)CC[N@@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220421 272290500 /nfs/dbraw/zinc/29/05/00/272290500.db2.gz QOPLNBVJRJCQGD-RDJZCZTQSA-N 1 0 317.389 2.822 20 5 DFBDRO CCC[NH+]1CCC(N(C)C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344266701 272300384 /nfs/dbraw/zinc/30/03/84/272300384.db2.gz VRHJWAOFWSBRRJ-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CC(C)C[NH+]1CCC(NC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344269647 272301870 /nfs/dbraw/zinc/30/18/70/272301870.db2.gz ZSVSORQUZCVPLG-UHFFFAOYSA-N 1 0 323.368 2.584 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000344737852 272364041 /nfs/dbraw/zinc/36/40/41/272364041.db2.gz CMEYOHCFYSUWGZ-IIAWOOMASA-N 1 0 305.422 2.988 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000344820020 272374917 /nfs/dbraw/zinc/37/49/17/272374917.db2.gz WJLGMZFBULLMJZ-CTXBLAANSA-N 1 0 312.373 2.799 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295094093 427688069 /nfs/dbraw/zinc/68/80/69/427688069.db2.gz UDARMIRGAPSXHL-GOOCMWNKSA-N 1 0 319.405 2.708 20 5 DFBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC(C)(C)O1 ZINC000193797951 427715671 /nfs/dbraw/zinc/71/56/71/427715671.db2.gz HQYMFHSYMWFMIA-SNVBAGLBSA-N 1 0 309.322 2.502 20 5 DFBDRO CC(C)[N@@H+]1C[C@H](C)[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000287937888 427718969 /nfs/dbraw/zinc/71/89/69/427718969.db2.gz RHQNEWKMQUVBQD-GXSJLCMTSA-N 1 0 321.406 2.740 20 5 DFBDRO Cc1c(C[NH2+][C@H]2CCCc3c2cnn3C)cccc1[N+](=O)[O-] ZINC000336861595 427765176 /nfs/dbraw/zinc/76/51/76/427765176.db2.gz CYFSEPZTSASEBO-AWEZNQCLSA-N 1 0 300.362 2.804 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000336865454 427766130 /nfs/dbraw/zinc/76/61/30/427766130.db2.gz UJJQXCLMKZYAAI-GFCCVEGCSA-N 1 0 302.378 2.707 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000299723092 427766872 /nfs/dbraw/zinc/76/68/72/427766872.db2.gz SWQNACUIJUCRDH-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301133273 427777314 /nfs/dbraw/zinc/77/73/14/427777314.db2.gz YDAHQBBORQNBPQ-GFCCVEGCSA-N 1 0 300.362 2.897 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000301133274 427777389 /nfs/dbraw/zinc/77/73/89/427777389.db2.gz YDAHQBBORQNBPQ-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)C1CC1 ZINC000301193338 427781157 /nfs/dbraw/zinc/78/11/57/427781157.db2.gz NARVAXPNCNYVSW-MRXNPFEDSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000287987188 427724269 /nfs/dbraw/zinc/72/42/69/427724269.db2.gz ATEOIHQQNFVJQC-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000287987179 427725289 /nfs/dbraw/zinc/72/52/89/427725289.db2.gz ATEOIHQQNFVJQC-HIFRSBDPSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1c(NC2CC[NH+](CC3CC3)CC2)nc2sccn21 ZINC000194087253 427729887 /nfs/dbraw/zinc/72/98/87/427729887.db2.gz QDUXVYDZXBSPSX-UHFFFAOYSA-N 1 0 321.406 2.590 20 5 DFBDRO Cc1ccc(NC(=O)c2ccc(C[NH+](C)C)nc2)cc1[N+](=O)[O-] ZINC000339228254 427737365 /nfs/dbraw/zinc/73/73/65/427737365.db2.gz CIBQBFONSOBPEX-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO Cc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000301376214 427792392 /nfs/dbraw/zinc/79/23/92/427792392.db2.gz VXEVKNUJUIDBIF-YSVLISHTSA-N 1 0 301.390 2.824 20 5 DFBDRO CCOc1cc(N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301556074 427805877 /nfs/dbraw/zinc/80/58/77/427805877.db2.gz WNUBMGUVIGSQCX-AWEZNQCLSA-N 1 0 305.378 2.668 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000301580290 427807476 /nfs/dbraw/zinc/80/74/76/427807476.db2.gz SQCPNJFSSAHRMM-SOUVJXGZSA-N 1 0 301.390 2.824 20 5 DFBDRO COc1ncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c(C)n1 ZINC000337194341 427813701 /nfs/dbraw/zinc/81/37/01/427813701.db2.gz WEPXEYZOYIZGDK-LLVKDONJSA-N 1 0 316.361 2.861 20 5 DFBDRO CN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000346052015 272564886 /nfs/dbraw/zinc/56/48/86/272564886.db2.gz ARTIIJRDQUFZLM-CYBMUJFWSA-N 1 0 323.780 2.557 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cc1[N+](=O)[O-] ZINC000337274897 427829193 /nfs/dbraw/zinc/82/91/93/427829193.db2.gz DJKAZZJZJJXENB-PWSUYJOCSA-N 1 0 316.304 2.853 20 5 DFBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000302758630 427865041 /nfs/dbraw/zinc/86/50/41/427865041.db2.gz JKDMSQMOKMZHPS-LBPRGKRZSA-N 1 0 313.785 2.771 20 5 DFBDRO CC(=O)c1cc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000339971682 427892884 /nfs/dbraw/zinc/89/28/84/427892884.db2.gz GYMNHTVUGIPUGZ-UHFFFAOYSA-N 1 0 305.378 2.941 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000355787204 427893788 /nfs/dbraw/zinc/89/37/88/427893788.db2.gz UIIOMPCMXHKNME-QGZVFWFLSA-N 1 0 320.389 2.866 20 5 DFBDRO COCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000337419346 427897050 /nfs/dbraw/zinc/89/70/50/427897050.db2.gz QKFMLLFGVPQYCL-UONOGXRCSA-N 1 0 322.409 2.681 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000349938085 427901646 /nfs/dbraw/zinc/90/16/46/427901646.db2.gz UTQMGHUKQFGTAW-LBPRGKRZSA-N 1 0 308.382 2.753 20 5 DFBDRO C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)c1ccccc1[N+](=O)[O-] ZINC000340006222 427902034 /nfs/dbraw/zinc/90/20/34/427902034.db2.gz HXLGDXCWQGWGSM-NSHDSACASA-N 1 0 310.313 2.734 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CC3(O)CCC3)cs2)c1 ZINC000304071182 427914637 /nfs/dbraw/zinc/91/46/37/427914637.db2.gz VKSYZNHRRXGJNY-UHFFFAOYSA-N 1 0 319.386 2.723 20 5 DFBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])nc(C)n1CC ZINC000340930095 427955908 /nfs/dbraw/zinc/95/59/08/427955908.db2.gz RFHPZDOUCLHFLH-UHFFFAOYSA-N 1 0 311.430 2.678 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c3ncccc23)C[C@@H]1[NH+](C)C ZINC000413191753 427985024 /nfs/dbraw/zinc/98/50/24/427985024.db2.gz ZDHBLRXCYNMJAV-NHYWBVRUSA-N 1 0 300.362 2.529 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(F)c1 ZINC000413195215 427989190 /nfs/dbraw/zinc/98/91/90/427989190.db2.gz CJUDKBUOHRQSQW-IAQYHMDHSA-N 1 0 320.368 2.582 20 5 DFBDRO C[N@@H+]1CC[C@H](Nc2ncc([N+](=O)[O-])cc2F)[C@H]1c1ccccc1 ZINC000413210245 427990936 /nfs/dbraw/zinc/99/09/36/427990936.db2.gz OUTPRPUYBYWSQV-LSDHHAIUSA-N 1 0 316.336 2.986 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000350053247 427928411 /nfs/dbraw/zinc/92/84/11/427928411.db2.gz ZMTCGPJENYFULB-HNNXBMFYSA-N 1 0 320.389 2.721 20 5 DFBDRO Cc1cc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000345868002 427934353 /nfs/dbraw/zinc/93/43/53/427934353.db2.gz SZDQUDUFJCFQHU-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1OCCO)c1cccc([N+](=O)[O-])c1 ZINC000304431247 427935764 /nfs/dbraw/zinc/93/57/64/427935764.db2.gz AIWVHOMFNGNBSM-CYBMUJFWSA-N 1 0 316.357 2.817 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000304452335 427938779 /nfs/dbraw/zinc/93/87/79/427938779.db2.gz OWFBBMLUZQLGSV-HIFRSBDPSA-N 1 0 300.358 2.849 20 5 DFBDRO C[C@@H]1CC[C@H](C)N1Cc1nc(Cc2ccccc2[N+](=O)[O-])no1 ZINC000350596828 427952648 /nfs/dbraw/zinc/95/26/48/427952648.db2.gz OJODITWUZYCVBL-TXEJJXNPSA-N 1 0 316.361 2.941 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)o1 ZINC000351148760 428021738 /nfs/dbraw/zinc/02/17/38/428021738.db2.gz QNKYPIPIKKHUHV-UHFFFAOYSA-N 1 0 304.306 2.580 20 5 DFBDRO C[N@H+](CCCCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000413350306 428028116 /nfs/dbraw/zinc/02/81/16/428028116.db2.gz WBIMAKYCBXIOMI-UHFFFAOYSA-N 1 0 309.395 2.590 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000341259570 428031307 /nfs/dbraw/zinc/03/13/07/428031307.db2.gz CDQVJJWZSLNHHB-CHWSQXEVSA-N 1 0 320.393 2.979 20 5 DFBDRO C[N@@H+]1CCC[C@H](CCNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000413431003 428045672 /nfs/dbraw/zinc/04/56/72/428045672.db2.gz AHKXFRJZOJKMQQ-SNVBAGLBSA-N 1 0 321.406 2.743 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1nc2sccn2c1[N+](=O)[O-] ZINC000341132212 427999219 /nfs/dbraw/zinc/99/92/19/427999219.db2.gz VBAIFDOCNJDUSI-PHIMTYICSA-N 1 0 323.422 2.979 20 5 DFBDRO CCN(CCC[NH+](C)C)c1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413263914 428005409 /nfs/dbraw/zinc/00/54/09/428005409.db2.gz VQBJWUFSMOHYGP-UHFFFAOYSA-N 1 0 320.315 2.787 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000359909989 428072456 /nfs/dbraw/zinc/07/24/56/428072456.db2.gz ZMWUUBWSXIAIGF-XJKSGUPXSA-N 1 0 319.405 2.520 20 5 DFBDRO CN(Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000341467311 428077615 /nfs/dbraw/zinc/07/76/15/428077615.db2.gz JIPHHNIGEZYFKX-AWEZNQCLSA-N 1 0 309.797 2.917 20 5 DFBDRO Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1[N+](=O)[O-] ZINC000377247604 428092985 /nfs/dbraw/zinc/09/29/85/428092985.db2.gz BFSNNQQFAPWKLV-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@@H]1c1ccccc1 ZINC000370046245 428118615 /nfs/dbraw/zinc/11/86/15/428118615.db2.gz QMRTWJXFOXXPKF-HIFRSBDPSA-N 1 0 314.389 2.954 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000341595611 428122549 /nfs/dbraw/zinc/12/25/49/428122549.db2.gz UVZPSVISCBADFJ-STQMWFEESA-N 1 0 305.378 2.646 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000352358490 428133864 /nfs/dbraw/zinc/13/38/64/428133864.db2.gz YFNNXLCFOFBZGA-CYBMUJFWSA-N 1 0 314.389 3.287 20 5 DFBDRO C[NH+](C)CC(C)(C)CNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352361590 428135590 /nfs/dbraw/zinc/13/55/90/428135590.db2.gz RXPOIFOLSOQRHO-UHFFFAOYSA-N 1 0 302.378 3.143 20 5 DFBDRO CS[C@@H]1CN(c2cc(C)c([N+](=O)[O-])cc2F)C[C@@H]1[NH+](C)C ZINC000360075450 428149386 /nfs/dbraw/zinc/14/93/86/428149386.db2.gz UPOGQKKRUVEDFS-UONOGXRCSA-N 1 0 313.398 2.524 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000370210125 428158071 /nfs/dbraw/zinc/15/80/71/428158071.db2.gz NTSTZQLOVRPXKV-AWEZNQCLSA-N 1 0 319.405 2.521 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000341700457 428160140 /nfs/dbraw/zinc/16/01/40/428160140.db2.gz OJJSWPQXYGMBEX-NSHDSACASA-N 1 0 319.361 2.801 20 5 DFBDRO CC[C@@H]1C[C@H](C[N@@H+]2CCOc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC000356515511 428212071 /nfs/dbraw/zinc/21/20/71/428212071.db2.gz DTXXXNSDCOZOEU-CZUORRHYSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccnc(N2CCC[C@@H]([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000377749499 428216234 /nfs/dbraw/zinc/21/62/34/428216234.db2.gz ZUZWOBRKBMUBIN-CQSZACIVSA-N 1 0 304.394 2.753 20 5 DFBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000414143848 428218234 /nfs/dbraw/zinc/21/82/34/428218234.db2.gz LXRNOBAJOMKIED-BARDWOONSA-N 1 0 322.409 2.821 20 5 DFBDRO Cc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000377774372 428225369 /nfs/dbraw/zinc/22/53/69/428225369.db2.gz ROLPCARWRONIAL-UHFFFAOYSA-N 1 0 312.369 2.523 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414222072 428238244 /nfs/dbraw/zinc/23/82/44/428238244.db2.gz DYMYEXNXRAOIRH-NTZNESFSSA-N 1 0 323.418 2.796 20 5 DFBDRO Cc1ccc([C@@H]2CCC[N@@H+]2CCn2ccc([N+](=O)[O-])n2)s1 ZINC000377963214 428270384 /nfs/dbraw/zinc/27/03/84/428270384.db2.gz OFGNBAGRVUUALT-LBPRGKRZSA-N 1 0 306.391 2.998 20 5 DFBDRO COC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982745 428278463 /nfs/dbraw/zinc/27/84/63/428278463.db2.gz ANFCFIYWFXRUBS-FZMZJTMJSA-N 1 0 306.362 2.787 20 5 DFBDRO COC(=O)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000377982748 428278920 /nfs/dbraw/zinc/27/89/20/428278920.db2.gz ANFCFIYWFXRUBS-RISCZKNCSA-N 1 0 306.362 2.787 20 5 DFBDRO CC(C)N1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1=O ZINC000278358905 273538379 /nfs/dbraw/zinc/53/83/79/273538379.db2.gz BHKMIMWRYMCRTO-CZUORRHYSA-N 1 0 317.389 2.571 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356750138 428292337 /nfs/dbraw/zinc/29/23/37/428292337.db2.gz ZREIDFGQAWFQMS-LLVKDONJSA-N 1 0 318.377 2.535 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000356750140 428292425 /nfs/dbraw/zinc/29/24/25/428292425.db2.gz ZREIDFGQAWFQMS-NSHDSACASA-N 1 0 318.377 2.535 20 5 DFBDRO Cc1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877744 428292733 /nfs/dbraw/zinc/29/27/33/428292733.db2.gz QIIINPFITINFNY-WCQYABFASA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352877738 428293090 /nfs/dbraw/zinc/29/30/90/428293090.db2.gz QIIINPFITINFNY-AAEUAGOBSA-N 1 0 306.366 2.507 20 5 DFBDRO Cc1cc(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352879319 428293622 /nfs/dbraw/zinc/29/36/22/428293622.db2.gz WCZYVLFUDXRXHC-AAEUAGOBSA-N 1 0 306.366 2.507 20 5 DFBDRO CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000356761208 428296126 /nfs/dbraw/zinc/29/61/26/428296126.db2.gz DLUFEBYHARFUDG-NSHDSACASA-N 1 0 318.377 2.535 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000352773692 428241911 /nfs/dbraw/zinc/24/19/11/428241911.db2.gz UFCHADOYMZORIJ-ZFWWWQNUSA-N 1 0 321.421 2.766 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CCC(N)=O)CC1 ZINC000352778395 428243181 /nfs/dbraw/zinc/24/31/81/428243181.db2.gz KHYKJXPAUYGONV-ZDUSSCGKSA-N 1 0 319.405 2.942 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)ccc1[N+](=O)[O-] ZINC000352779682 428245654 /nfs/dbraw/zinc/24/56/54/428245654.db2.gz QGHYPZDCTSYGNR-OAHLLOKOSA-N 1 0 320.389 2.994 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2CCC[NH2+]CC2)o1 ZINC000346639719 428251583 /nfs/dbraw/zinc/25/15/83/428251583.db2.gz JUUXSNPUDYSGDK-UHFFFAOYSA-N 1 0 301.346 2.650 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000414524865 428330278 /nfs/dbraw/zinc/33/02/78/428330278.db2.gz ISEDNDNDUNOWFP-HNNXBMFYSA-N 1 0 318.348 2.908 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000356855033 428336535 /nfs/dbraw/zinc/33/65/35/428336535.db2.gz PSXFIKBOCQOYSK-KGLIPLIRSA-N 1 0 319.405 2.685 20 5 DFBDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000353119255 428392697 /nfs/dbraw/zinc/39/26/97/428392697.db2.gz NVKYGBINVHLDMS-QFIPXVFZSA-N 1 0 318.398 2.763 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000342307602 428396214 /nfs/dbraw/zinc/39/62/14/428396214.db2.gz SRLWKHWXEHPOSN-GFCCVEGCSA-N 1 0 305.378 2.694 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769595 428398983 /nfs/dbraw/zinc/39/89/83/428398983.db2.gz MJYRWZJFVNLAID-IAQYHMDHSA-N 1 0 301.346 2.776 20 5 DFBDRO COc1ccc(C[NH2+]Cc2cnn3ccccc23)cc1[N+](=O)[O-] ZINC000353030701 428360670 /nfs/dbraw/zinc/36/06/70/428360670.db2.gz AXAQJKZKNIHWPU-UHFFFAOYSA-N 1 0 312.329 2.541 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000342247285 428366972 /nfs/dbraw/zinc/36/69/72/428366972.db2.gz JUFAUDQJXCEZML-GFCCVEGCSA-N 1 0 317.345 2.555 20 5 DFBDRO Cc1c(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000414691930 428378475 /nfs/dbraw/zinc/37/84/75/428378475.db2.gz CFACXFJTWGAWJR-FZMZJTMJSA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1c(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000414691931 428379130 /nfs/dbraw/zinc/37/91/30/428379130.db2.gz CFACXFJTWGAWJR-RISCZKNCSA-N 1 0 306.366 2.637 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000414709459 428383106 /nfs/dbraw/zinc/38/31/06/428383106.db2.gz RFQRIDRCWHWFRV-GFCCVEGCSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000372408123 428442103 /nfs/dbraw/zinc/44/21/03/428442103.db2.gz GBZWOOLMSDPRGV-TZMCWYRMSA-N 1 0 305.378 2.613 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2c(F)cccc2[N+](=O)[O-])C1 ZINC000342784242 428455118 /nfs/dbraw/zinc/45/51/18/428455118.db2.gz JUJWWOYLKLSYPK-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO [NH3+][C@H]1CCC[C@@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922853 428459126 /nfs/dbraw/zinc/45/91/26/428459126.db2.gz HKZWPPNDEDKQLS-WDEREUQCSA-N 1 0 315.320 2.556 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925435 428461125 /nfs/dbraw/zinc/46/11/25/428461125.db2.gz JPHAQEAIOUWESG-WFASDCNBSA-N 1 0 315.373 2.942 20 5 DFBDRO [NH3+]C[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414799585 428415839 /nfs/dbraw/zinc/41/58/39/428415839.db2.gz KDDCKZPGFJKING-CQSZACIVSA-N 1 0 301.346 2.682 20 5 DFBDRO C[N@H+]1CC=C(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000392777919 428482059 /nfs/dbraw/zinc/48/20/59/428482059.db2.gz FJHDADKOGVAYEC-UHFFFAOYSA-N 1 0 316.283 2.682 20 5 DFBDRO [NH3+]CCCN(CC1CCCC1)C(=O)c1cccc([N+](=O)[O-])c1 ZINC000357362840 428499741 /nfs/dbraw/zinc/49/97/41/428499741.db2.gz HXVRPHFNKPOOST-UHFFFAOYSA-N 1 0 305.378 2.576 20 5 DFBDRO CC(C)[C@H]1CN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000347222560 428501841 /nfs/dbraw/zinc/50/18/41/428501841.db2.gz DGSUHEQUVZVYOP-CQSZACIVSA-N 1 0 324.356 2.538 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000347245561 428510308 /nfs/dbraw/zinc/51/03/08/428510308.db2.gz WPGWFMYTJRYBLT-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO CC(C)[NH2+]C1CCN(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000347247730 428513247 /nfs/dbraw/zinc/51/32/47/428513247.db2.gz BFALHJPCFJGPFM-UHFFFAOYSA-N 1 0 324.356 2.728 20 5 DFBDRO C[N@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C1CCCC1 ZINC000347267664 428520167 /nfs/dbraw/zinc/52/01/67/428520167.db2.gz QIMDDARLSLZMLU-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO Cc1cc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000415440868 428581032 /nfs/dbraw/zinc/58/10/32/428581032.db2.gz SAXNINWLVHINSY-AWEZNQCLSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415486370 428586635 /nfs/dbraw/zinc/58/66/35/428586635.db2.gz RQSYVFOUOIRSNO-CYBMUJFWSA-N 1 0 320.393 2.804 20 5 DFBDRO C[NH2+]CC1CCN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000415479743 428587468 /nfs/dbraw/zinc/58/74/68/428587468.db2.gz GKWOYKNPQBOUEB-UHFFFAOYSA-N 1 0 320.393 2.675 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000343874764 428588486 /nfs/dbraw/zinc/58/84/86/428588486.db2.gz QMRJYVCMNJJQNV-UHFFFAOYSA-N 1 0 312.341 2.898 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC1(C[NH3+])CCCC1 ZINC000415487150 428588884 /nfs/dbraw/zinc/58/88/84/428588884.db2.gz SPUFHIYSIIIASR-UHFFFAOYSA-N 1 0 306.366 2.605 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@H+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000398932483 428533309 /nfs/dbraw/zinc/53/33/09/428533309.db2.gz TUNWVTFSSVUUBZ-SDDRHHMPSA-N 1 0 310.781 2.841 20 5 DFBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1nc2ccccc2cc1[N+](=O)[O-] ZINC000357581579 428548393 /nfs/dbraw/zinc/54/83/93/428548393.db2.gz MWSDMWKGZNDLOK-GFCCVEGCSA-N 1 0 302.378 3.284 20 5 DFBDRO COC(=O)CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000353466185 428552316 /nfs/dbraw/zinc/55/23/16/428552316.db2.gz XMUDDZONXVSWTD-VURMDHGXSA-N 1 0 306.362 2.882 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000415251952 428554454 /nfs/dbraw/zinc/55/44/54/428554454.db2.gz AMMSANYYFGIAHU-GWCFXTLKSA-N 1 0 320.393 2.803 20 5 DFBDRO CCC[N@@H+](CC(=O)N(C)C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000347345988 428557842 /nfs/dbraw/zinc/55/78/42/428557842.db2.gz VAGPHCXUWJAEIR-UVTDQMKNSA-N 1 0 319.405 2.798 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000347354078 428561161 /nfs/dbraw/zinc/56/11/61/428561161.db2.gz POSKDHYRKZFJDO-OAHLLOKOSA-N 1 0 309.341 2.666 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415299601 428565939 /nfs/dbraw/zinc/56/59/39/428565939.db2.gz QIZOONSOFKHLKG-STQMWFEESA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000347576317 428609105 /nfs/dbraw/zinc/60/91/05/428609105.db2.gz AWEVOHAREOKVRI-RYUDHWBXSA-N 1 0 321.377 2.917 20 5 DFBDRO Cc1nn(C)c(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1[N+](=O)[O-] ZINC000373741262 428644790 /nfs/dbraw/zinc/64/47/90/428644790.db2.gz AMGCUTXUTNWTBS-AWEZNQCLSA-N 1 0 321.425 2.846 20 5 DFBDRO CC(C)=CCN[C@@H](c1nccn1C)c1cccc([N+](=O)[O-])c1 ZINC000353683902 428657153 /nfs/dbraw/zinc/65/71/53/428657153.db2.gz GKNDXSBNNBSIQO-OAHLLOKOSA-N 1 0 300.362 2.974 20 5 DFBDRO C[C@@H](Nc1c2ccccc2ncc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000262044294 274264357 /nfs/dbraw/zinc/26/43/57/274264357.db2.gz CEJXPGBHTJFSLC-VXGBXAGGSA-N 1 0 300.362 2.943 20 5 DFBDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2ccc([N+](=O)[O-])o2)CC1 ZINC000362328855 428705694 /nfs/dbraw/zinc/70/56/94/428705694.db2.gz AMXCPRIKEOMXCC-UHFFFAOYSA-N 1 0 321.377 2.596 20 5 DFBDRO CCC[C@@H](C)C(=O)NCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353776846 428709266 /nfs/dbraw/zinc/70/92/66/428709266.db2.gz ULEWHMLMJDOHKV-DEBLGDTFSA-N 1 0 319.405 2.750 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(=O)NC(C)(C)C ZINC000344853316 428715056 /nfs/dbraw/zinc/71/50/56/428715056.db2.gz JKPIJYRQLYEMBK-XYOKQWHBSA-N 1 0 305.378 2.502 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000374497733 428687002 /nfs/dbraw/zinc/68/70/02/428687002.db2.gz RQZQIRDXUWAOGN-PVAVHDDUSA-N 1 0 320.389 2.974 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cn[nH]c1 ZINC000358814088 428687711 /nfs/dbraw/zinc/68/77/11/428687711.db2.gz TXASMVYRLNSKKI-NSHDSACASA-N 1 0 304.350 2.956 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000353743934 428688970 /nfs/dbraw/zinc/68/89/70/428688970.db2.gz ZBDMGXWUTGJDOH-RYUDHWBXSA-N 1 0 324.377 2.671 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC000411284024 428769040 /nfs/dbraw/zinc/76/90/40/428769040.db2.gz MHNMLAYKGSLKIL-NWDGAFQWSA-N 1 0 321.377 2.662 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348523016 428769780 /nfs/dbraw/zinc/76/97/80/428769780.db2.gz BBOCNGANPNVPOL-JQWIXIFHSA-N 1 0 304.268 2.984 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000411284025 428770897 /nfs/dbraw/zinc/77/08/97/428770897.db2.gz MHNMLAYKGSLKIL-RYUDHWBXSA-N 1 0 321.377 2.662 20 5 DFBDRO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000359012125 428773888 /nfs/dbraw/zinc/77/38/88/428773888.db2.gz CUNQDRVLIQRVFJ-RBSFLKMASA-N 1 0 323.441 2.595 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000374895964 428777733 /nfs/dbraw/zinc/77/77/33/428777733.db2.gz NVOSNSIMVABFHQ-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000358955986 428746655 /nfs/dbraw/zinc/74/66/55/428746655.db2.gz RTXGSOQNKLRDIP-RWMBFGLXSA-N 1 0 323.441 2.898 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000375048404 428798233 /nfs/dbraw/zinc/79/82/33/428798233.db2.gz ICULCMNRWRVIAE-PXAZEXFGSA-N 1 0 312.373 2.673 20 5 DFBDRO C[C@H]1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C[C@H]1C[NH3+] ZINC000261989133 274563111 /nfs/dbraw/zinc/56/31/11/274563111.db2.gz BGWJONIXBWFBFS-WCQYABFASA-N 1 0 300.362 2.564 20 5 DFBDRO COc1ccc(OCC[NH2+][C@@H](C)C2(OC)CCC2)c([N+](=O)[O-])c1 ZINC000412020073 428909537 /nfs/dbraw/zinc/90/95/37/428909537.db2.gz HEKRRFNIXMINTP-LBPRGKRZSA-N 1 0 324.377 2.529 20 5 DFBDRO COC(=O)c1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000348896882 428872250 /nfs/dbraw/zinc/87/22/50/428872250.db2.gz UUEPEUUHONGMGS-UHFFFAOYSA-N 1 0 314.341 2.980 20 5 DFBDRO CCc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cn1 ZINC000348921489 428877612 /nfs/dbraw/zinc/87/76/12/428877612.db2.gz NFUJCJVZEZLNFF-UHFFFAOYSA-N 1 0 300.362 2.518 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000345428467 428883139 /nfs/dbraw/zinc/88/31/39/428883139.db2.gz OEPKESZQCZNDNU-GFCCVEGCSA-N 1 0 320.393 2.770 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000363213255 428885976 /nfs/dbraw/zinc/88/59/76/428885976.db2.gz OKGXRELKCSGTBZ-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000411969465 428895898 /nfs/dbraw/zinc/89/58/98/428895898.db2.gz LOHRNQXRCFSJHO-HWPZZCPQSA-N 1 0 318.377 2.764 20 5 DFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000412040188 428919765 /nfs/dbraw/zinc/91/97/65/428919765.db2.gz KKGRVICHCKXJEJ-GFCCVEGCSA-N 1 0 317.389 2.604 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000345524528 428921233 /nfs/dbraw/zinc/92/12/33/428921233.db2.gz GBHIOTOQEUUMMR-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO Cc1nnc([C@@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043869 428924791 /nfs/dbraw/zinc/92/47/91/428924791.db2.gz PUXWOAQJSAELIV-DGCLKSJQSA-N 1 0 315.377 2.880 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412044614 428925719 /nfs/dbraw/zinc/92/57/19/428925719.db2.gz OUPLQIFTDUGZFS-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H](O)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000412051628 428930039 /nfs/dbraw/zinc/93/00/39/428930039.db2.gz WUSVUQHVGLXNIU-ZNMIVQPWSA-N 1 0 320.389 2.586 20 5 DFBDRO O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000363522990 428933968 /nfs/dbraw/zinc/93/39/68/428933968.db2.gz QVVRMECFTCIHOE-OAHLLOKOSA-N 1 0 317.389 2.572 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000412064082 428934951 /nfs/dbraw/zinc/93/49/51/428934951.db2.gz BPTZIMKCEZDVKM-ZIAGYGMSSA-N 1 0 322.405 2.975 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072739 428937813 /nfs/dbraw/zinc/93/78/13/428937813.db2.gz PWKMOXSZTSYXHY-MLGOLLRUSA-N 1 0 306.362 2.931 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)ccc1[N+](=O)[O-] ZINC000412082664 428947489 /nfs/dbraw/zinc/94/74/89/428947489.db2.gz MVBZCYMKKPECDD-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420177605 428947601 /nfs/dbraw/zinc/94/76/01/428947601.db2.gz AAIUBJGMPIBPJV-CYBMUJFWSA-N 1 0 318.352 3.191 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587438 428947936 /nfs/dbraw/zinc/94/79/36/428947936.db2.gz NOENDGMCNGPVOS-KFWWJZLASA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[C@H]3CCC[NH2+]3)n2)cc1 ZINC000420237262 428949696 /nfs/dbraw/zinc/94/96/96/428949696.db2.gz LJHYDFOUHMAJBF-GFCCVEGCSA-N 1 0 318.402 3.272 20 5 DFBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2cc(N)ccc2[N+](=O)[O-])CC1 ZINC000375707287 428949784 /nfs/dbraw/zinc/94/97/84/428949784.db2.gz YBEPDELXUWDQGO-GFCCVEGCSA-N 1 0 304.394 2.630 20 5 DFBDRO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000363632523 428958295 /nfs/dbraw/zinc/95/82/95/428958295.db2.gz FAAKSMIJCBRODV-SJORKVTESA-N 1 0 317.389 2.570 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+]2CCC3(CCC3)CC2)c1 ZINC000375738660 428959273 /nfs/dbraw/zinc/95/92/73/428959273.db2.gz QOKFPQPZCOWNCO-HNNXBMFYSA-N 1 0 320.389 2.601 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)c(Cl)c1 ZINC000349318552 428961129 /nfs/dbraw/zinc/96/11/29/428961129.db2.gz ROQRYIRRECZPCC-SNVBAGLBSA-N 1 0 312.675 2.651 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@]3(CCOC3)C2)ccc1[N+](=O)[O-] ZINC000451910337 429017000 /nfs/dbraw/zinc/01/70/00/429017000.db2.gz MYUCDGQYZGLACY-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO COCCOC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433288326 429019212 /nfs/dbraw/zinc/01/92/12/429019212.db2.gz RILKBCDHMYZDLB-LRDDRELGSA-N 1 0 322.405 2.958 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000421742632 429024797 /nfs/dbraw/zinc/02/47/97/429024797.db2.gz SOBPQMKKMZECCL-UHFFFAOYSA-N 1 0 317.389 2.568 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000421746666 429025982 /nfs/dbraw/zinc/02/59/82/429025982.db2.gz AEYDCSSRCPPLBT-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000421761541 429028900 /nfs/dbraw/zinc/02/89/00/429028900.db2.gz IYRAFMUOHPDWNN-UHFFFAOYSA-N 1 0 319.405 2.816 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)CN(C)C[C@H](O)C(F)(F)F ZINC000349404154 428980759 /nfs/dbraw/zinc/98/07/59/428980759.db2.gz FIMBWTLRXZIWED-HKBVPSITSA-N 1 0 318.295 2.853 20 5 DFBDRO CC(C)c1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1[N+](=O)[O-] ZINC000423600081 428981429 /nfs/dbraw/zinc/98/14/29/428981429.db2.gz XZYBDJPWTUTZQN-OKILXGFUSA-N 1 0 317.389 2.685 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808615 428981570 /nfs/dbraw/zinc/98/15/70/428981570.db2.gz DCNYQRXJSIONCI-IRXDYDNUSA-N 1 0 303.406 2.696 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000375820997 428987903 /nfs/dbraw/zinc/98/79/03/428987903.db2.gz YPWYRJDESILDBI-XJKSGUPXSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354481703 428992243 /nfs/dbraw/zinc/99/22/43/428992243.db2.gz AAGPCFGJQSFHDD-ZDUSSCGKSA-N 1 0 319.405 2.686 20 5 DFBDRO CCOc1cc(CN2CC[NH+]([C@@H](C)CC)CC2)ccc1[N+](=O)[O-] ZINC000451843981 428996130 /nfs/dbraw/zinc/99/61/30/428996130.db2.gz OAXWFHVIDBRMCW-AWEZNQCLSA-N 1 0 321.421 2.910 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH+]2CCC(F)(c3ccccc3)CC2)c1 ZINC000434491678 429092600 /nfs/dbraw/zinc/09/26/00/429092600.db2.gz KMLDCMBMEMDIKI-UHFFFAOYSA-N 1 0 318.352 2.752 20 5 DFBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339149 429040417 /nfs/dbraw/zinc/04/04/17/429040417.db2.gz IAZUTGROEWHSOU-CQSZACIVSA-N 1 0 302.378 2.781 20 5 DFBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1c([N+](=O)[O-])ncn1C ZINC000355339147 429040455 /nfs/dbraw/zinc/04/04/55/429040455.db2.gz IAZUTGROEWHSOU-AWEZNQCLSA-N 1 0 302.378 2.781 20 5 DFBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000452034211 429041550 /nfs/dbraw/zinc/04/15/50/429041550.db2.gz IXYGEVUESWPSOW-HZPDHXFCSA-N 1 0 308.378 2.911 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000376021022 429042779 /nfs/dbraw/zinc/04/27/79/429042779.db2.gz YXURPURIONGESL-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000376107792 429057590 /nfs/dbraw/zinc/05/75/90/429057590.db2.gz XNFBPYXISVAYBK-CHWSQXEVSA-N 1 0 303.362 2.836 20 5 DFBDRO CCc1ccc([C@H](N[C@H](C)C[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423337734 429067071 /nfs/dbraw/zinc/06/70/71/429067071.db2.gz VJUFZKVWXXXLCC-BDJLRTHQSA-N 1 0 303.362 2.776 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423975529 429067665 /nfs/dbraw/zinc/06/76/65/429067665.db2.gz CZLZGRKTGCJADZ-AWEZNQCLSA-N 1 0 307.394 2.821 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000423971439 429068466 /nfs/dbraw/zinc/06/84/66/429068466.db2.gz KIFNJVGITFOOAC-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000423361162 429071968 /nfs/dbraw/zinc/07/19/68/429071968.db2.gz MDHQDJZVDHPBRY-DYEKYZERSA-N 1 0 307.394 2.642 20 5 DFBDRO CCN(Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623090 429153106 /nfs/dbraw/zinc/15/31/06/429153106.db2.gz BRUHGPWWOMRKMD-CQSZACIVSA-N 1 0 307.394 2.567 20 5 DFBDRO CCOCC[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000434633639 429099522 /nfs/dbraw/zinc/09/95/22/429099522.db2.gz KAYOBGXEMNZXLF-MRXNPFEDSA-N 1 0 310.394 2.593 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000363887424 429133285 /nfs/dbraw/zinc/13/32/85/429133285.db2.gz LJFPNTHWNMWORD-UHFFFAOYSA-N 1 0 312.369 2.523 20 5 DFBDRO [NH3+][C@H]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369920 429133493 /nfs/dbraw/zinc/13/34/93/429133493.db2.gz GRHHPPGWZFYBFA-NSHDSACASA-N 1 0 303.387 2.856 20 5 DFBDRO CC(C)[N@H+](C)CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F ZINC000413099727 429137654 /nfs/dbraw/zinc/13/76/54/429137654.db2.gz BIWFSMWYLWUXDV-UHFFFAOYSA-N 1 0 306.288 2.761 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])c2ncccc12 ZINC000413121299 429141719 /nfs/dbraw/zinc/14/17/19/429141719.db2.gz FXYSDKBLQDWLLF-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)ccc1[N+](=O)[O-] ZINC000364072487 429166311 /nfs/dbraw/zinc/16/63/11/429166311.db2.gz NJKVPEKPOFJEPL-LSDHHAIUSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000364076276 429167329 /nfs/dbraw/zinc/16/73/29/429167329.db2.gz GFZKHSKQEHAYDL-DLBZAZTESA-N 1 0 320.389 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(NC3CC[NH+](C4CCC4)CC3)nc2c1 ZINC000295661724 275037747 /nfs/dbraw/zinc/03/77/47/275037747.db2.gz AUOYUQPXZZELQL-UHFFFAOYSA-N 1 0 315.377 2.900 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[N@@H+](C4CC4)CC3)ccc2c1 ZINC000171831363 275038752 /nfs/dbraw/zinc/03/87/52/275038752.db2.gz QYEVZYQDSIIZEW-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c1 ZINC000289676178 275039179 /nfs/dbraw/zinc/03/91/79/275039179.db2.gz CCGXGPDKHCNPQM-QZTJIDSGSA-N 1 0 312.369 2.851 20 5 DFBDRO CCCC[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000488254043 429177835 /nfs/dbraw/zinc/17/78/35/429177835.db2.gz LQKBPYCQSMCJBS-UHFFFAOYSA-N 1 0 302.378 3.287 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCC[N@H+](CCOc3ccccc3)C2)c1 ZINC000364333281 429183724 /nfs/dbraw/zinc/18/37/24/429183724.db2.gz AXJYRRZCIYAWIW-AWEZNQCLSA-N 1 0 316.361 2.507 20 5 DFBDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(c2ccc(F)cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000488745550 429195410 /nfs/dbraw/zinc/19/54/10/429195410.db2.gz LIRHVKLOANRROG-JMSVASOKSA-N 1 0 307.369 2.900 20 5 DFBDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258687 429192538 /nfs/dbraw/zinc/19/25/38/429192538.db2.gz DSKXHCPUNOEFPF-PBHICJAKSA-N 1 0 322.405 2.847 20 5 DFBDRO CCCN1CCN(Cc2cccc([N+](=O)[O-])c2C)C(C)(C)C1=O ZINC000495250484 429192969 /nfs/dbraw/zinc/19/29/69/429192969.db2.gz UDVYNGWGFYBPBI-UHFFFAOYSA-N 1 0 319.405 2.736 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)n1 ZINC000488736377 429193210 /nfs/dbraw/zinc/19/32/10/429193210.db2.gz PSXGVBZWNAVRHI-LALPHHSUSA-N 1 0 318.421 2.773 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccccc2)n1)C[NH+](C)C ZINC000489022705 429214147 /nfs/dbraw/zinc/21/41/47/429214147.db2.gz HKTPKBOHCLBWNY-ZDUSSCGKSA-N 1 0 314.389 3.266 20 5 DFBDRO C[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CC1(C)C ZINC000489474450 429244795 /nfs/dbraw/zinc/24/47/95/429244795.db2.gz ROOKUQNHJCQUDF-CQSZACIVSA-N 1 0 319.361 2.623 20 5 DFBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1 ZINC000364682169 429249721 /nfs/dbraw/zinc/24/97/21/429249721.db2.gz NOOAZAUHVFALMM-PXAZEXFGSA-N 1 0 317.389 2.706 20 5 DFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])o3)ccc21 ZINC000456271338 429268665 /nfs/dbraw/zinc/26/86/65/429268665.db2.gz XQBMQQQHIQBYDN-ZDUSSCGKSA-N 1 0 315.329 2.989 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000365434895 429318088 /nfs/dbraw/zinc/31/80/88/429318088.db2.gz BZWOTGPRJSMPSS-CYBMUJFWSA-N 1 0 323.780 2.559 20 5 DFBDRO COc1ncccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071129 429323341 /nfs/dbraw/zinc/32/33/41/429323341.db2.gz AFYCRJSWMYSCDK-LBPRGKRZSA-N 1 0 301.346 2.719 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(=O)N1CCCCC1 ZINC000449085260 429326923 /nfs/dbraw/zinc/32/69/23/429326923.db2.gz LQJDGATXVXEOFY-UONOGXRCSA-N 1 0 319.405 2.516 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc([N+](=O)[O-])c1 ZINC000456685199 429337593 /nfs/dbraw/zinc/33/75/93/429337593.db2.gz QLXYNAQNAZZBOD-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000425513675 429314798 /nfs/dbraw/zinc/31/47/98/429314798.db2.gz OKZAXSSZVBIAAR-UKRRQHHQSA-N 1 0 315.377 2.893 20 5 DFBDRO Cc1cc(C2=CC[N@H+](C[C@@H]3CCCO3)CC2)cc([N+](=O)[O-])c1N ZINC000365883175 429396311 /nfs/dbraw/zinc/39/63/11/429396311.db2.gz DEJDRRPUJDZMJU-HNNXBMFYSA-N 1 0 317.389 2.754 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000449281581 429375372 /nfs/dbraw/zinc/37/53/72/429375372.db2.gz DFSGXHSGRUIKGV-SWLSCSKDSA-N 1 0 312.369 2.988 20 5 DFBDRO CC[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)O ZINC000449538118 429447861 /nfs/dbraw/zinc/44/78/61/429447861.db2.gz HABZTWWCCHZNHH-HZMBPMFUSA-N 1 0 321.402 2.967 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000449421323 429411471 /nfs/dbraw/zinc/41/14/71/429411471.db2.gz LHIOBRJFLLFLSR-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)(CO)[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000518451624 429420440 /nfs/dbraw/zinc/42/04/40/429420440.db2.gz YVEDGMCXQQTPOJ-WRLNGNIRSA-N 1 0 304.390 2.995 20 5 DFBDRO CCO[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449499163 429435157 /nfs/dbraw/zinc/43/51/57/429435157.db2.gz SXMYHXKULGUBDK-WFASDCNBSA-N 1 0 308.378 2.850 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000366860105 429527370 /nfs/dbraw/zinc/52/73/70/429527370.db2.gz YOCZGVPMFQTARE-CYBMUJFWSA-N 1 0 308.353 2.982 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000519737832 429483874 /nfs/dbraw/zinc/48/38/74/429483874.db2.gz MPQDOWCIDZDKFR-OLZOCXBDSA-N 1 0 307.394 2.545 20 5 DFBDRO COC[C@@]1(CO)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000449701589 429485161 /nfs/dbraw/zinc/48/51/61/429485161.db2.gz QVUVCXZURLXTOE-KRWDZBQOSA-N 1 0 322.405 2.549 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000366618326 429488673 /nfs/dbraw/zinc/48/86/73/429488673.db2.gz DTPGBMMLNUDJSN-CZUORRHYSA-N 1 0 319.405 2.520 20 5 DFBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000366748923 429506728 /nfs/dbraw/zinc/50/67/28/429506728.db2.gz CPCRJJYEPQQZNQ-KGLIPLIRSA-N 1 0 320.389 2.599 20 5 DFBDRO CC(C)Oc1nc(N(C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000521460566 429553338 /nfs/dbraw/zinc/55/33/38/429553338.db2.gz FMROFTJVOAKPPS-ZDUSSCGKSA-N 1 0 322.409 2.555 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCCC23CCCCC3)c([N+](=O)[O-])c1 ZINC000367006286 429556110 /nfs/dbraw/zinc/55/61/10/429556110.db2.gz ASNNPRLHICLGRZ-UHFFFAOYSA-N 1 0 317.389 2.992 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CC2(C)OCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000279207969 275867154 /nfs/dbraw/zinc/86/71/54/275867154.db2.gz XZABEVPBQUBTLL-AWEZNQCLSA-N 1 0 306.362 2.670 20 5 DFBDRO CCOC(=O)c1cc(NC[C@@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000450214467 429580426 /nfs/dbraw/zinc/58/04/26/429580426.db2.gz HPDVOAKXCJPFIS-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH+](C2CCC2)C2CCC2)c1 ZINC000429156466 429583787 /nfs/dbraw/zinc/58/37/87/429583787.db2.gz FJJWOMCOVRUART-INIZCTEOSA-N 1 0 320.389 2.742 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000450253517 429585006 /nfs/dbraw/zinc/58/50/06/429585006.db2.gz OPTMEOYXSTXEEC-KGLIPLIRSA-N 1 0 312.373 3.182 20 5 DFBDRO CC1CCC2(CC[N@H+](CCn3cc([N+](=O)[O-])ccc3=O)C2)CC1 ZINC000367149526 429586589 /nfs/dbraw/zinc/58/65/89/429586589.db2.gz VSVAGJHCPILQOV-UHFFFAOYSA-N 1 0 319.405 2.659 20 5 DFBDRO CCOc1cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492459625 429542053 /nfs/dbraw/zinc/54/20/53/429542053.db2.gz GJHACWXLNSQBAS-HNNXBMFYSA-N 1 0 319.405 2.662 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000450390628 429616422 /nfs/dbraw/zinc/61/64/22/429616422.db2.gz OYZIGEUKIYJCOI-MRXNPFEDSA-N 1 0 312.373 2.701 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429574784 429618803 /nfs/dbraw/zinc/61/88/03/429618803.db2.gz BHCKSDFRLYADTQ-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429569605 429618968 /nfs/dbraw/zinc/61/89/68/429618968.db2.gz UAZYXMGPRWNMSL-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000450549321 429646026 /nfs/dbraw/zinc/64/60/26/429646026.db2.gz VMHHQRADLKXZPM-NSHDSACASA-N 1 0 307.369 2.963 20 5 DFBDRO C[C@H](CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[NH+](C)C ZINC000450276148 429591691 /nfs/dbraw/zinc/59/16/91/429591691.db2.gz HSBWRWKXWRILPR-SNVBAGLBSA-N 1 0 306.391 3.080 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429528873 429612981 /nfs/dbraw/zinc/61/29/81/429612981.db2.gz NYBLBTSUGUDPTG-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+]2CCCO)c(Cl)c1 ZINC000450600291 429657834 /nfs/dbraw/zinc/65/78/34/429657834.db2.gz VJLTTWXOVIVLCU-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000430204978 429663102 /nfs/dbraw/zinc/66/31/02/429663102.db2.gz SYEKEBBAHXPVKH-XJKSGUPXSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CCCCC1 ZINC000430225931 429665601 /nfs/dbraw/zinc/66/56/01/429665601.db2.gz ZNSKOPUXKDJROV-UHFFFAOYSA-N 1 0 308.378 2.730 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000430245934 429666506 /nfs/dbraw/zinc/66/65/06/429666506.db2.gz VAVDVBZPNQITLO-KRWDZBQOSA-N 1 0 320.389 2.996 20 5 DFBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CC2)C1 ZINC000493004433 429666814 /nfs/dbraw/zinc/66/68/14/429666814.db2.gz PIKAIPQUJZRTCT-LBPRGKRZSA-N 1 0 309.797 2.917 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430242353 429668086 /nfs/dbraw/zinc/66/80/86/429668086.db2.gz SDFOMMLKOPXEEI-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351655503 276108189 /nfs/dbraw/zinc/10/81/89/276108189.db2.gz MHADKWRVRQFNIP-JTQLQIEISA-N 1 0 312.345 2.586 20 5 DFBDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCc1ccc([N+](=O)[O-])cc1 ZINC000367588800 429677812 /nfs/dbraw/zinc/67/78/12/429677812.db2.gz XQHYEFYHFFXDOU-WMLDXEAASA-N 1 0 303.406 2.696 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176248762 276168780 /nfs/dbraw/zinc/16/87/80/276168780.db2.gz WHOZUNQGMGOKQG-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO CCC(=O)c1ccc(N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c([N+](=O)[O-])c1 ZINC000368448613 276205626 /nfs/dbraw/zinc/20/56/26/276205626.db2.gz CJPQIKWQXQDEFN-MLGOLLRUSA-N 1 0 317.389 2.718 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000290950346 276232691 /nfs/dbraw/zinc/23/26/91/276232691.db2.gz PCCNNSKUQWQKHY-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493129837 429695735 /nfs/dbraw/zinc/69/57/35/429695735.db2.gz GCSYAQSAJUOACS-RYUDHWBXSA-N 1 0 309.797 2.917 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21 ZINC000450777767 429698033 /nfs/dbraw/zinc/69/80/33/429698033.db2.gz KFURNABPOCKSSD-ZBFHGGJFSA-N 1 0 324.384 2.797 20 5 DFBDRO CC[NH+](CC)[C@@H](CNc1ncc([N+](=O)[O-])s1)CC(C)C ZINC000472340608 429714380 /nfs/dbraw/zinc/71/43/80/429714380.db2.gz NPLBAPSVLPHXNA-LLVKDONJSA-N 1 0 300.428 3.220 20 5 DFBDRO CC[NH+]1CCN(CC(C)(C)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000450924603 429730633 /nfs/dbraw/zinc/73/06/33/429730633.db2.gz UZNOFEKSWOPPSN-UHFFFAOYSA-N 1 0 324.400 2.562 20 5 DFBDRO C[N@H+](CCCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000493399370 429754056 /nfs/dbraw/zinc/75/40/56/429754056.db2.gz ZADRBPGFVPLKEW-IZZDOVSWSA-N 1 0 317.389 2.599 20 5 DFBDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@@H]2C1 ZINC000432181110 429807135 /nfs/dbraw/zinc/80/71/35/429807135.db2.gz YUFCUYKLWYBHRQ-MLGOLLRUSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])[nH]1 ZINC000431570710 429770417 /nfs/dbraw/zinc/77/04/17/429770417.db2.gz NUERZEGHFNBLBK-OLZOCXBDSA-N 1 0 322.409 2.553 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)/C=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000493677435 429807756 /nfs/dbraw/zinc/80/77/56/429807756.db2.gz UQTQDZDQKGSHNK-PTZVLDCSSA-N 1 0 317.389 2.549 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2cnc(CC[N@@H+]3CC[C@@H](F)C3)o2)c1 ZINC000451191470 429785722 /nfs/dbraw/zinc/78/57/22/429785722.db2.gz HENBEKDVKXNXTJ-GFCCVEGCSA-N 1 0 305.309 2.836 20 5 DFBDRO O=[N+]([O-])c1cccc2c(N3CC[NH+](CC4CC4)CC3)ccnc21 ZINC000432337093 429816491 /nfs/dbraw/zinc/81/64/91/429816491.db2.gz RGXVUYPJVXYXTB-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1CC(O)C1)C1CC1 ZINC000432425240 429823515 /nfs/dbraw/zinc/82/35/15/429823515.db2.gz ULZAZPDFMHCZMF-VDSRIPIWSA-N 1 0 304.390 2.667 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451413660 429824329 /nfs/dbraw/zinc/82/43/29/429824329.db2.gz CGPJJJMJPLIWDQ-XHSDSOJGSA-N 1 0 320.389 2.729 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)ccc1[N+](=O)[O-] ZINC000451483505 429834258 /nfs/dbraw/zinc/83/42/58/429834258.db2.gz XZQUSASJKOMQLZ-MAZHCROVSA-N 1 0 320.389 2.897 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@H](OC)C2(C)C)c([N+](=O)[O-])cc1F ZINC000451483686 429834416 /nfs/dbraw/zinc/83/44/16/429834416.db2.gz BGRJPLMQXLFLLA-KBPBESRZSA-N 1 0 312.341 2.646 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000451528325 429844242 /nfs/dbraw/zinc/84/42/42/429844242.db2.gz QCNWKQLJRUXJQG-SWLSCSKDSA-N 1 0 308.378 2.850 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000451528323 429844340 /nfs/dbraw/zinc/84/43/40/429844340.db2.gz QCNWKQLJRUXJQG-IUODEOHRSA-N 1 0 308.378 2.850 20 5 DFBDRO CCOC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451544414 429850257 /nfs/dbraw/zinc/85/02/57/429850257.db2.gz FJSLBDSLTZIDEG-AWEZNQCLSA-N 1 0 306.362 2.727 20 5 DFBDRO CCO[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000451552536 429851371 /nfs/dbraw/zinc/85/13/71/429851371.db2.gz YUANJVVAOLGXFD-CJNGLKHVSA-N 1 0 308.378 2.721 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C[C@H]21 ZINC000368481706 429855770 /nfs/dbraw/zinc/85/57/70/429855770.db2.gz IDKIYSXCQYBJDU-XHDPSFHLSA-N 1 0 309.797 2.774 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451613488 429861631 /nfs/dbraw/zinc/86/16/31/429861631.db2.gz QVTQXBBEUFKOEK-BBRMVZONSA-N 1 0 308.353 2.621 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccnc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000432310407 429813072 /nfs/dbraw/zinc/81/30/72/429813072.db2.gz AWXIDVJAHLFDCQ-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451720811 429877281 /nfs/dbraw/zinc/87/72/81/429877281.db2.gz YNNQCJWPDUMRAI-WWGRRREGSA-N 1 0 320.389 2.586 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000451744418 429882217 /nfs/dbraw/zinc/88/22/17/429882217.db2.gz VXAAWHCURFKBSX-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000368690956 429887626 /nfs/dbraw/zinc/88/76/26/429887626.db2.gz YAYUFATVOWWTIA-CVEARBPZSA-N 1 0 317.389 2.602 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700759 429874251 /nfs/dbraw/zinc/87/42/51/429874251.db2.gz OPMUFDVZUYRTPD-XJKCOSOUSA-N 1 0 320.389 2.586 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000558184348 429964859 /nfs/dbraw/zinc/96/48/59/429964859.db2.gz YPNCQPIGLLRBFH-PHIMTYICSA-N 1 0 320.315 2.844 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000560267892 430028663 /nfs/dbraw/zinc/02/86/63/430028663.db2.gz WQWASENAIIJPDD-HEHGZKQESA-N 1 0 324.421 2.712 20 5 DFBDRO CCN(CC[NH2+]Cc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000562363589 430123487 /nfs/dbraw/zinc/12/34/87/430123487.db2.gz IHFJVNPORRFKKG-UHFFFAOYSA-N 1 0 319.327 2.959 20 5 DFBDRO CC(C)OC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000531403259 430141761 /nfs/dbraw/zinc/14/17/61/430141761.db2.gz VWKHSHKWCJWUNB-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245534705 277035100 /nfs/dbraw/zinc/03/51/00/277035100.db2.gz WGWZITSGCNWSNJ-ZFWWWQNUSA-N 1 0 319.405 2.812 20 5 DFBDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000372392882 277037555 /nfs/dbraw/zinc/03/75/55/277037555.db2.gz ZGOVTOLPTSVZDM-UHFFFAOYSA-N 1 0 318.377 2.687 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c([N+](=O)[O-])c1 ZINC000286536584 277111595 /nfs/dbraw/zinc/11/15/95/277111595.db2.gz VIZMCOKXZKWUFM-IUODEOHRSA-N 1 0 317.389 2.860 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000269085053 277183314 /nfs/dbraw/zinc/18/33/14/277183314.db2.gz HQLSOEMMROETBA-MFKMUULPSA-N 1 0 310.785 2.564 20 5 DFBDRO CN1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CCC1=O ZINC000279176982 277194946 /nfs/dbraw/zinc/19/49/46/277194946.db2.gz VGSHIRFSAOUGGY-NHYWBVRUSA-N 1 0 317.389 2.528 20 5 DFBDRO COCC[N@@H+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1C ZINC000245524486 277225651 /nfs/dbraw/zinc/22/56/51/277225651.db2.gz NQGSZTYMFSSKQH-LSDHHAIUSA-N 1 0 321.421 2.617 20 5 DFBDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000543639817 430255564 /nfs/dbraw/zinc/25/55/64/430255564.db2.gz ARYDSKNFPUKHDD-LLVKDONJSA-N 1 0 324.356 2.586 20 5 DFBDRO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000566476543 430263301 /nfs/dbraw/zinc/26/33/01/430263301.db2.gz ZNVUNLSNNDVCMU-WQVCFCJDSA-N 1 0 303.406 2.900 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000582289041 430285317 /nfs/dbraw/zinc/28/53/17/430285317.db2.gz STRXPTAVVDAPEN-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO C[C@@H]([NH3+])C[C@@H](C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000566679580 430270822 /nfs/dbraw/zinc/27/08/22/430270822.db2.gz ZNSVULKIQOBUAM-GHMZBOCLSA-N 1 0 318.352 3.334 20 5 DFBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCCO1 ZINC000582569315 430312025 /nfs/dbraw/zinc/31/20/25/430312025.db2.gz IMRJGRKWGWFWKW-ZBEGNZNMSA-N 1 0 303.362 2.776 20 5 DFBDRO C[N@H+](CCC(=O)NCc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000546723292 430366514 /nfs/dbraw/zinc/36/65/14/430366514.db2.gz SJWSCLLPPANNHD-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)c1 ZINC000568626044 430375984 /nfs/dbraw/zinc/37/59/84/430375984.db2.gz MOEPZIKNBAEEIG-YOEHRIQHSA-N 1 0 320.389 2.865 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000568750936 430387677 /nfs/dbraw/zinc/38/76/77/430387677.db2.gz PXZDNMNCQVPVNU-OAHLLOKOSA-N 1 0 308.378 2.634 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](O)C1CCCCC1 ZINC000568750935 430387793 /nfs/dbraw/zinc/38/77/93/430387793.db2.gz PXZDNMNCQVPVNU-HNNXBMFYSA-N 1 0 308.378 2.634 20 5 DFBDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000568763753 430390160 /nfs/dbraw/zinc/39/01/60/430390160.db2.gz IRRPPVNHWVHQOL-RYUDHWBXSA-N 1 0 318.295 2.863 20 5 DFBDRO COC(=O)CCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000583603403 430409267 /nfs/dbraw/zinc/40/92/67/430409267.db2.gz BZXSGKGMACYSEY-UHFFFAOYSA-N 1 0 320.389 2.803 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C(C)(C)C ZINC000583869625 430437463 /nfs/dbraw/zinc/43/74/63/430437463.db2.gz BFGRJPNBBKNKEY-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO Cc1ccc(CN2CCc3ccccc3[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000583753279 430426295 /nfs/dbraw/zinc/42/62/95/430426295.db2.gz UXXKZTJUEQEHBO-SFHVURJKSA-N 1 0 311.385 2.961 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000548793896 430501288 /nfs/dbraw/zinc/50/12/88/430501288.db2.gz SNPCYVDMZDQKAC-HNNXBMFYSA-N 1 0 306.362 2.652 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000599126995 430527172 /nfs/dbraw/zinc/52/71/72/430527172.db2.gz LCSFNJUKKKDLHA-CQSZACIVSA-N 1 0 304.394 3.117 20 5 DFBDRO COc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c([N+](=O)[O-])cc1F ZINC000570376672 430537971 /nfs/dbraw/zinc/53/79/71/430537971.db2.gz UPLXUXIYIITPTI-JTQLQIEISA-N 1 0 309.341 2.639 20 5 DFBDRO C[C@H]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570564891 430554867 /nfs/dbraw/zinc/55/48/67/430554867.db2.gz MHWZQJJYMGOVRS-QWHCGFSZSA-N 1 0 305.378 2.949 20 5 DFBDRO C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000571818090 430654519 /nfs/dbraw/zinc/65/45/19/430654519.db2.gz FBYDLBXVXVDIMI-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO CCN(CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)C ZINC000571150632 430607509 /nfs/dbraw/zinc/60/75/09/430607509.db2.gz NFBGHPSHLJSSQS-GJZGRUSLSA-N 1 0 323.441 2.595 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571326704 430621136 /nfs/dbraw/zinc/62/11/36/430621136.db2.gz KCKBSYHPMLCPLP-ZNNBYXKUSA-N 1 0 301.390 2.684 20 5 DFBDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095617 430628253 /nfs/dbraw/zinc/62/82/53/430628253.db2.gz RLSCJIZVQQPVQU-DZKIICNBSA-N 1 0 305.422 2.846 20 5 DFBDRO C[C@@H]1CCN(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507157 430633129 /nfs/dbraw/zinc/63/31/29/430633129.db2.gz SCIUIHRQAGFLAV-DYVFJYSZSA-N 1 0 303.406 2.904 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000193633453 278050028 /nfs/dbraw/zinc/05/00/28/278050028.db2.gz ZKGGGDKNMTWFED-SMDDNHRTSA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CSC[C@@H]1C ZINC000556924063 430695911 /nfs/dbraw/zinc/69/59/11/430695911.db2.gz HNOFUZWQXXBXNC-MISXGVKJSA-N 1 0 323.418 2.653 20 5 DFBDRO NC(=O)C1CCC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000572808878 430697017 /nfs/dbraw/zinc/69/70/17/430697017.db2.gz WXGUJJPBKWAHGL-SEEARECTSA-N 1 0 317.389 2.606 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000262008989 278313770 /nfs/dbraw/zinc/31/37/70/278313770.db2.gz WCPAOQNPYHTAEB-VXGBXAGGSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090178596 278367259 /nfs/dbraw/zinc/36/72/59/278367259.db2.gz KXMAXHIZIUSLSD-DGCLKSJQSA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(=O)NC(C)(C)C ZINC000192770465 278383485 /nfs/dbraw/zinc/38/34/85/278383485.db2.gz OVWBTNXCDHWNCR-ABAIWWIYSA-N 1 0 319.405 2.865 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000370160127 279159682 /nfs/dbraw/zinc/15/96/82/279159682.db2.gz FXCMMZGVFCHFKT-NHYWBVRUSA-N 1 0 312.373 2.901 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C2 ZINC000370160125 279159956 /nfs/dbraw/zinc/15/99/56/279159956.db2.gz FXCMMZGVFCHFKT-ABAIWWIYSA-N 1 0 312.373 2.901 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000276523211 279181823 /nfs/dbraw/zinc/18/18/23/279181823.db2.gz XWEQYWSXNQHFLB-UHFFFAOYSA-N 1 0 319.405 2.851 20 5 DFBDRO CC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000181592632 279229538 /nfs/dbraw/zinc/22/95/38/279229538.db2.gz RZBAXYFLHQCDFS-KBPBESRZSA-N 1 0 310.394 2.701 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000261956327 279394299 /nfs/dbraw/zinc/39/42/99/279394299.db2.gz NYDBXNGEQKDTBF-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193497931 280048698 /nfs/dbraw/zinc/04/86/98/280048698.db2.gz GEPQLCXIRKAKAB-BXKDBHETSA-N 1 0 319.386 2.680 20 5 DFBDRO Cc1c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cccc1[N+](=O)[O-] ZINC000375815640 280213212 /nfs/dbraw/zinc/21/32/12/280213212.db2.gz PAKSWZJZKOJBKX-TZMCWYRMSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000276974008 280227253 /nfs/dbraw/zinc/22/72/53/280227253.db2.gz YCEVNEILRILWSI-IMJJTQAJSA-N 1 0 302.374 2.950 20 5 DFBDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000297112448 280270746 /nfs/dbraw/zinc/27/07/46/280270746.db2.gz YDHHOZDGCKTREL-INIZCTEOSA-N 1 0 302.378 2.648 20 5 DFBDRO Cc1cc(N2CCC(C)(O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181530223 280543309 /nfs/dbraw/zinc/54/33/09/280543309.db2.gz OKEHOUAKFMKRHA-UHFFFAOYSA-N 1 0 301.346 2.803 20 5 DFBDRO Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)c2cccc([N+](=O)[O-])c2n1 ZINC000302025354 280567536 /nfs/dbraw/zinc/56/75/36/280567536.db2.gz PVWFLOBPGNFUIQ-CQSZACIVSA-N 1 0 324.384 2.902 20 5 DFBDRO Cc1cccc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1[N+](=O)[O-] ZINC000364099496 281230578 /nfs/dbraw/zinc/23/05/78/281230578.db2.gz VCQPVKOTPPOLMY-RRFJBIMHSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000373077607 281256755 /nfs/dbraw/zinc/25/67/55/281256755.db2.gz CMSFEBYYLAPINO-UONOGXRCSA-N 1 0 317.389 2.602 20 5 DFBDRO Cc1cnc(N2CC[NH+](C3CCCCC3)CC2)c([N+](=O)[O-])c1 ZINC000268838526 281603539 /nfs/dbraw/zinc/60/35/39/281603539.db2.gz OEYAXTOQWVZRKO-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000215996061 288689893 /nfs/dbraw/zinc/68/98/93/288689893.db2.gz MKIWKDZMGGDARU-RKDXNWHRSA-N 1 0 303.284 2.787 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000363356528 289082232 /nfs/dbraw/zinc/08/22/32/289082232.db2.gz RWBMGTGGZXSDKN-AWEZNQCLSA-N 1 0 300.362 2.535 20 5 DFBDRO CC(C)[C@@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415691717 289120551 /nfs/dbraw/zinc/12/05/51/289120551.db2.gz GCVDZTKPODBAOB-ZDUSSCGKSA-N 1 0 322.409 2.997 20 5 DFBDRO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000415687134 289120692 /nfs/dbraw/zinc/12/06/92/289120692.db2.gz ATSCYSDBHLCDBO-LLVKDONJSA-N 1 0 320.393 2.718 20 5 DFBDRO CC[C@@H]([NH3+])CNC(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415702871 289121424 /nfs/dbraw/zinc/12/14/24/289121424.db2.gz QCWGAZNZZHDSCH-SNVBAGLBSA-N 1 0 308.382 2.751 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000415754902 289130508 /nfs/dbraw/zinc/13/05/08/289130508.db2.gz CILHBZSFYVUNHL-UHFFFAOYSA-N 1 0 318.377 2.589 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415757840 289131358 /nfs/dbraw/zinc/13/13/58/289131358.db2.gz HAMZUZGEXQSDHI-FUNVUKJBSA-N 1 0 318.377 2.562 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000415764949 289132505 /nfs/dbraw/zinc/13/25/05/289132505.db2.gz QCGOEOSPPRBMIO-BXUZGUMPSA-N 1 0 320.393 2.748 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H]1CCCO1 ZINC000278907467 293165503 /nfs/dbraw/zinc/16/55/03/293165503.db2.gz VOISPVXIAOGZBG-UHOFOFEASA-N 1 0 308.378 2.748 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@H](C)C2)c1 ZINC000294858409 295254177 /nfs/dbraw/zinc/25/41/77/295254177.db2.gz CVLBDOSFUHTHEJ-LBPRGKRZSA-N 1 0 305.378 2.524 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000157604434 295350788 /nfs/dbraw/zinc/35/07/88/295350788.db2.gz IEILYFMLRKVCKQ-SRVKXCTJSA-N 1 0 321.377 2.803 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411951110 295570858 /nfs/dbraw/zinc/57/08/58/295570858.db2.gz PQRSVDMXDFNUCO-MEDUHNTESA-N 1 0 308.378 2.897 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495595538 299943864 /nfs/dbraw/zinc/94/38/64/299943864.db2.gz HZHLBHSSHXILKG-LBPRGKRZSA-N 1 0 321.377 2.818 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCO[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000439463401 297126758 /nfs/dbraw/zinc/12/67/58/297126758.db2.gz BLVISOWSKBTXLB-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO CSCCC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000439488290 297129117 /nfs/dbraw/zinc/12/91/17/297129117.db2.gz XEMFYPOJNPCQIU-UHFFFAOYSA-N 1 0 311.407 2.608 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441212235 297176058 /nfs/dbraw/zinc/17/60/58/297176058.db2.gz UAFIXACBUWRACC-STQMWFEESA-N 1 0 308.353 2.982 20 5 DFBDRO C[C@@H]1C[C@H](C)CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000443638441 297223637 /nfs/dbraw/zinc/22/36/37/297223637.db2.gz ANWJHNHOIIIJPV-FMKPAKJESA-N 1 0 322.405 2.703 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000444290701 297235108 /nfs/dbraw/zinc/23/51/08/297235108.db2.gz IEILYFMLRKVCKQ-GRYCIOLGSA-N 1 0 321.377 2.803 20 5 DFBDRO CC(C)COCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447511491 297305912 /nfs/dbraw/zinc/30/59/12/297305912.db2.gz MAJSGJXCENKFBA-GJZGRUSLSA-N 1 0 324.425 2.927 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2ccco2)n1 ZINC000447520683 297306308 /nfs/dbraw/zinc/30/63/08/297306308.db2.gz KYJPBLCRWWCGAS-KGLIPLIRSA-N 1 0 304.350 2.700 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCc2cccnc2)n1 ZINC000447530769 297307053 /nfs/dbraw/zinc/30/70/53/297307053.db2.gz PJRIDXLVOYZVFP-GJZGRUSLSA-N 1 0 315.377 2.502 20 5 DFBDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447538649 297307277 /nfs/dbraw/zinc/30/72/77/297307277.db2.gz CGSAZCWFHYUBPX-KFWWJZLASA-N 1 0 324.425 2.663 20 5 DFBDRO C[C@@](O)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(F)(F)F ZINC000447579994 297309184 /nfs/dbraw/zinc/30/91/84/297309184.db2.gz MTWXUCDNJIKVLN-CHWSQXEVSA-N 1 0 318.295 2.875 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H](CO)CC(F)F)CCC2 ZINC000447602665 297310344 /nfs/dbraw/zinc/31/03/44/297310344.db2.gz VBKOQVIMFIJEFT-GXFFZTMASA-N 1 0 300.305 2.578 20 5 DFBDRO C[NH+](C)CCN(CC1CCCCC1)c1ncccc1[N+](=O)[O-] ZINC000448128445 297333364 /nfs/dbraw/zinc/33/33/64/297333364.db2.gz IGCDJQYBLNDHKC-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO CC[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])N1CCCC1 ZINC000449078917 297401731 /nfs/dbraw/zinc/40/17/31/297401731.db2.gz WUMBYSXSWXWOAS-GOEBONIOSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC(C)CC1 ZINC000449083148 297402645 /nfs/dbraw/zinc/40/26/45/297402645.db2.gz SCKYZSRNRSLTEX-HNNXBMFYSA-N 1 0 305.422 2.847 20 5 DFBDRO COc1cccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449184458 297419395 /nfs/dbraw/zinc/41/93/95/297419395.db2.gz HUAHSUVYVJBOSL-CYBMUJFWSA-N 1 0 315.373 2.762 20 5 DFBDRO CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449373788 297455391 /nfs/dbraw/zinc/45/53/91/297455391.db2.gz CUAQZONTRVVLJW-DOMZBBRYSA-N 1 0 323.393 2.717 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449587857 297495944 /nfs/dbraw/zinc/49/59/44/297495944.db2.gz PGGRTXJYJIOYTG-ZIAGYGMSSA-N 1 0 316.405 2.870 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000449710002 297517025 /nfs/dbraw/zinc/51/70/25/297517025.db2.gz LDUZJTBZUCNLFE-AAEUAGOBSA-N 1 0 319.405 2.750 20 5 DFBDRO Cc1cccc(CN(CC[NH+](C)C)c2ccc([N+](=O)[O-])nc2)c1 ZINC000450381575 297622079 /nfs/dbraw/zinc/62/20/79/297622079.db2.gz UZJGQMGNMGJAJH-UHFFFAOYSA-N 1 0 314.389 2.866 20 5 DFBDRO Cc1nc(N(CC[NH+]2CCCCCC2)C(C)C)ncc1[N+](=O)[O-] ZINC000450540009 297641411 /nfs/dbraw/zinc/64/14/11/297641411.db2.gz NIIJGCZWFKUUDH-UHFFFAOYSA-N 1 0 321.425 2.784 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(CF)CC1 ZINC000451393098 297800396 /nfs/dbraw/zinc/80/03/96/297800396.db2.gz LBPXFAXVFOHFIU-UHFFFAOYSA-N 1 0 323.368 2.913 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000451481605 297813008 /nfs/dbraw/zinc/81/30/08/297813008.db2.gz AYELZYFZYPTLGA-ZBFHGGJFSA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451492286 297815722 /nfs/dbraw/zinc/81/57/22/297815722.db2.gz CSUSQYURWBXZAB-KMUNFCNLSA-N 1 0 308.378 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000451617697 297845464 /nfs/dbraw/zinc/84/54/64/297845464.db2.gz YGVUMNPRNORJAS-IAGOWNOFSA-N 1 0 304.390 2.524 20 5 DFBDRO CC(C)[NH+]1CCC(C(=O)N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000452180703 297942537 /nfs/dbraw/zinc/94/25/37/297942537.db2.gz FGUQSHIHWZYOJC-ZDUSSCGKSA-N 1 0 319.405 2.892 20 5 DFBDRO CCC[N@H+](C)CC(=O)N1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000452857539 298035456 /nfs/dbraw/zinc/03/54/56/298035456.db2.gz QZFBPEDOXPGTDN-HNNXBMFYSA-N 1 0 319.405 2.643 20 5 DFBDRO COC1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000453213161 298071347 /nfs/dbraw/zinc/07/13/47/298071347.db2.gz OHMDEEWIXPJJBD-ZDUSSCGKSA-N 1 0 308.378 2.577 20 5 DFBDRO CCn1ccnc1[C@@H](C)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000454142583 298125977 /nfs/dbraw/zinc/12/59/77/298125977.db2.gz RXVWINAVKOSRQQ-SNVBAGLBSA-N 1 0 303.322 2.694 20 5 DFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc21 ZINC000454328450 298156161 /nfs/dbraw/zinc/15/61/61/298156161.db2.gz RNDCVEDYMPBDHH-OAHLLOKOSA-N 1 0 314.345 2.724 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC(C)(C)C[NH+](C)C ZINC000455239604 298324183 /nfs/dbraw/zinc/32/41/83/298324183.db2.gz CSNZFSVLAVNFNZ-UHFFFAOYSA-N 1 0 308.382 2.673 20 5 DFBDRO Cc1sc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000457035548 298628101 /nfs/dbraw/zinc/62/81/01/298628101.db2.gz PGNKZAGNNMNUCU-UHFFFAOYSA-N 1 0 311.407 2.569 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000513519089 300257798 /nfs/dbraw/zinc/25/77/98/300257798.db2.gz OXXMOCCNSHTVNP-UMSPYCQHSA-N 1 0 316.304 2.589 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H](O)CC2CCCC2)cc1[N+](=O)[O-] ZINC000515106520 300290403 /nfs/dbraw/zinc/29/04/03/300290403.db2.gz QMODEOFZJLMNMO-AWEZNQCLSA-N 1 0 308.378 2.634 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCOC[C@@H]1CCOC1 ZINC000515311218 300300180 /nfs/dbraw/zinc/30/01/80/300300180.db2.gz CKTBOJVAWQLFEV-XJKSGUPXSA-N 1 0 320.389 2.615 20 5 DFBDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000515413265 300305536 /nfs/dbraw/zinc/30/55/36/300305536.db2.gz JNJMSAGHIIQQRZ-HUUCEWRRSA-N 1 0 317.389 2.782 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000530447295 301048269 /nfs/dbraw/zinc/04/82/69/301048269.db2.gz WOJHINMIPYFZIG-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO CCC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000531959251 301120963 /nfs/dbraw/zinc/12/09/63/301120963.db2.gz VYVNNALULFNMRC-PBHICJAKSA-N 1 0 321.421 2.746 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCN1CC[C@@H](C)C1 ZINC000531984760 301123771 /nfs/dbraw/zinc/12/37/71/301123771.db2.gz ZSMMQVCFUTZEEL-HUUCEWRRSA-N 1 0 305.422 2.847 20 5 DFBDRO Cc1cc(N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000532168089 301134491 /nfs/dbraw/zinc/13/44/91/301134491.db2.gz ZYAHDRSZWOSEPS-DOTOQJQBSA-N 1 0 319.405 2.959 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCCCC1=O ZINC000532231116 301138506 /nfs/dbraw/zinc/13/85/06/301138506.db2.gz CIBLXBOPMUNDED-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532279378 301142100 /nfs/dbraw/zinc/14/21/00/301142100.db2.gz IRCSWKIZVVGSLB-KGLIPLIRSA-N 1 0 318.373 2.998 20 5 DFBDRO O=C(CN1C2CCC1CC2)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000532466662 301154094 /nfs/dbraw/zinc/15/40/94/301154094.db2.gz IMCJYZKGXQHQRM-UHFFFAOYSA-N 1 0 309.753 2.814 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000532463372 301154411 /nfs/dbraw/zinc/15/44/11/301154411.db2.gz GBALXAKWFOUNQS-UHFFFAOYSA-N 1 0 306.410 2.855 20 5 DFBDRO Cc1ncsc1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534509616 301232971 /nfs/dbraw/zinc/23/29/71/301232971.db2.gz LYEJLPYDZUCSII-UHFFFAOYSA-N 1 0 303.387 2.961 20 5 DFBDRO C[C@H]1CC[N@H+](C)CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000536537795 301277112 /nfs/dbraw/zinc/27/71/12/301277112.db2.gz JMQSFTKOZBVLEN-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000536840377 301291498 /nfs/dbraw/zinc/29/14/98/301291498.db2.gz PHMSEYXUHQHGDX-UWVGGRQHSA-N 1 0 306.284 2.867 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000536852106 301291751 /nfs/dbraw/zinc/29/17/51/301291751.db2.gz LAFKWAKQHBDKEH-ZQIUZPCESA-N 1 0 320.389 2.892 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000536873047 301292111 /nfs/dbraw/zinc/29/21/11/301292111.db2.gz VOSQVFKTFBLZRH-QWHCGFSZSA-N 1 0 319.405 2.953 20 5 DFBDRO Cc1cnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000537952474 301314664 /nfs/dbraw/zinc/31/46/64/301314664.db2.gz HEQGBGYMEWGXJU-CYBMUJFWSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CC(=O)N(C(C)C)C1 ZINC000537979236 301315250 /nfs/dbraw/zinc/31/52/50/301315250.db2.gz YTUGVSGTWAOELP-CHWSQXEVSA-N 1 0 305.378 2.563 20 5 DFBDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000540325522 301361756 /nfs/dbraw/zinc/36/17/56/301361756.db2.gz PPAFPZJZFHJWTQ-ZDUSSCGKSA-N 1 0 318.377 2.929 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)[C@@H]2CCCO[C@H]21 ZINC000540609734 301366031 /nfs/dbraw/zinc/36/60/31/301366031.db2.gz YRJVJAXFJXLFAF-ARFHVFGLSA-N 1 0 304.390 2.931 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000541114731 301383028 /nfs/dbraw/zinc/38/30/28/301383028.db2.gz DLQKHRVSDVNUIL-CYBMUJFWSA-N 1 0 323.393 2.770 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CSC[C@H]1C ZINC000560585403 301906343 /nfs/dbraw/zinc/90/63/43/301906343.db2.gz MKTDZKSCIQCCFV-GYSYKLTISA-N 1 0 323.418 2.653 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562949133 302016516 /nfs/dbraw/zinc/01/65/16/302016516.db2.gz HFRKDLGNAIFBLD-UONOGXRCSA-N 1 0 319.405 2.812 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]CC1CCCCCC1 ZINC000562998360 302023212 /nfs/dbraw/zinc/02/32/12/302023212.db2.gz GOWZBQRZJLAXDJ-HNNXBMFYSA-N 1 0 322.405 2.895 20 5 DFBDRO CC(C)(CC[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CC1 ZINC000562999832 302023497 /nfs/dbraw/zinc/02/34/97/302023497.db2.gz GNPHNUCDJWGFFG-AWEZNQCLSA-N 1 0 322.405 2.750 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000563014438 302026021 /nfs/dbraw/zinc/02/60/21/302026021.db2.gz WDPQQHJGNXHJLC-HOSILWTGSA-N 1 0 322.405 2.749 20 5 DFBDRO O=C(CC[NH2+][C@@H]1CCCC[C@H]1F)Nc1ccccc1[N+](=O)[O-] ZINC000564562608 302141071 /nfs/dbraw/zinc/14/10/71/302141071.db2.gz JHJKLPVCUDRODI-VXGBXAGGSA-N 1 0 309.341 2.794 20 5 DFBDRO CC1CCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564737107 302155453 /nfs/dbraw/zinc/15/54/53/302155453.db2.gz DLOPCLBJHZAYFC-INIZCTEOSA-N 1 0 303.406 2.904 20 5 DFBDRO Cn1cncc1CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000565159373 302199247 /nfs/dbraw/zinc/19/92/47/302199247.db2.gz XXSGUQPWBWLBNK-UHFFFAOYSA-N 1 0 314.389 2.926 20 5 DFBDRO CSc1ccc([N+](=O)[O-])c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000566098820 302259092 /nfs/dbraw/zinc/25/90/92/302259092.db2.gz VRLCAYXADSXTQE-MFKMUULPSA-N 1 0 323.418 2.564 20 5 DFBDRO CCC[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000566430029 302285899 /nfs/dbraw/zinc/28/58/99/302285899.db2.gz GLCIGJWRLJXRRS-UHFFFAOYSA-N 1 0 305.378 2.604 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)cccc1[N+](=O)[O-] ZINC000566737094 302308175 /nfs/dbraw/zinc/30/81/75/302308175.db2.gz FMNYGFCIZBMCIS-GXTWGEPZSA-N 1 0 319.405 2.953 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)C1 ZINC000566970287 302326162 /nfs/dbraw/zinc/32/61/62/302326162.db2.gz KWEJAVCXGQEWKE-AWEZNQCLSA-N 1 0 318.421 2.789 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCOCC1CCC1 ZINC000567320801 302349221 /nfs/dbraw/zinc/34/92/21/302349221.db2.gz HWUWONDMFYPHNB-UHFFFAOYSA-N 1 0 308.378 2.900 20 5 DFBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000567689743 302380010 /nfs/dbraw/zinc/38/00/10/302380010.db2.gz PWHFCYFWBHBJDU-ILXRZTDVSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000567792716 302389597 /nfs/dbraw/zinc/38/95/97/302389597.db2.gz OFYCCURHBNZCBL-PBHICJAKSA-N 1 0 320.389 2.865 20 5 DFBDRO CNc1ccc(-c2nc([C@@H]([NH3+])CC(C)C)no2)cc1[N+](=O)[O-] ZINC000567852514 302393196 /nfs/dbraw/zinc/39/31/96/302393196.db2.gz FWGFGVCDBVHIDO-JTQLQIEISA-N 1 0 305.338 2.732 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCCC[C@H]3O)c2c1 ZINC000571298112 302612638 /nfs/dbraw/zinc/61/26/38/302612638.db2.gz BVYRSQLQXYMAOG-HZPDHXFCSA-N 1 0 303.362 2.512 20 5 DFBDRO C[C@H](Nc1nc2c(cc1[N+](=O)[O-])CCCC2)[C@H]1CCC[NH2+]C1 ZINC000573488684 302707447 /nfs/dbraw/zinc/70/74/47/302707447.db2.gz BUNBSQUJIWDULX-AAEUAGOBSA-N 1 0 304.394 2.669 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000573585700 302711744 /nfs/dbraw/zinc/71/17/44/302711744.db2.gz DDMBKFKPBHCVQP-UHFFFAOYSA-N 1 0 301.293 2.608 20 5 DFBDRO CN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000180109243 316026233 /nfs/dbraw/zinc/02/62/33/316026233.db2.gz KDSSPVMMVNAKKQ-UHFFFAOYSA-N 1 0 303.309 2.584 20 5 DFBDRO C[C@H](CCNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000183090332 316129323 /nfs/dbraw/zinc/12/93/23/316129323.db2.gz UCLKNENJFRMQHZ-LLVKDONJSA-N 1 0 311.407 2.651 20 5 DFBDRO COC[C@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000187365844 316209124 /nfs/dbraw/zinc/20/91/24/316209124.db2.gz FPBPDOXNTZSDDM-CYBMUJFWSA-N 1 0 308.378 2.721 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@]3(O)CCCC[C@H]3C2)c(F)c1 ZINC000268999091 316229651 /nfs/dbraw/zinc/22/96/51/316229651.db2.gz OPMLUXIZKRSFRM-XJKSGUPXSA-N 1 0 308.353 2.861 20 5 DFBDRO Cc1c(Br)c(N[C@H](C)C[C@@H](C)[NH3+])ncc1[N+](=O)[O-] ZINC000320040963 316252121 /nfs/dbraw/zinc/25/21/21/316252121.db2.gz COXQDHGDGLNOPZ-RNFRBKRXSA-N 1 0 317.187 2.598 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)c1 ZINC000351078234 316461533 /nfs/dbraw/zinc/46/15/33/316461533.db2.gz JEBOMBJTDFYODP-UHFFFAOYSA-N 1 0 307.269 2.960 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CC)[C@H](O)C(C)C ZINC000414526439 316618951 /nfs/dbraw/zinc/61/89/51/316618951.db2.gz LICQGSVVWBOCES-GOEBONIOSA-N 1 0 310.394 2.879 20 5 DFBDRO [NH3+]C1(c2noc([C@@H]3C[C@H]3c3ccc([N+](=O)[O-])cc3)n2)CCCC1 ZINC000414622601 316633923 /nfs/dbraw/zinc/63/39/23/316633923.db2.gz CDAFRBXXNTVVIX-QWHCGFSZSA-N 1 0 314.345 2.977 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000423954480 316784653 /nfs/dbraw/zinc/78/46/53/316784653.db2.gz NEPADNCVYAAHAY-AWEZNQCLSA-N 1 0 321.421 2.996 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CO)c1ccsc1 ZINC000449247549 317031696 /nfs/dbraw/zinc/03/16/96/317031696.db2.gz GJWJWKAPKSSMGW-RISCZKNCSA-N 1 0 306.387 2.911 20 5 DFBDRO CSc1ccc(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000449639364 317045956 /nfs/dbraw/zinc/04/59/56/317045956.db2.gz OQAXGSQDWBLWSH-PWSUYJOCSA-N 1 0 323.418 2.564 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000453078477 317160145 /nfs/dbraw/zinc/16/01/45/317160145.db2.gz IGURCMMJXIMVTD-HUUCEWRRSA-N 1 0 306.362 2.651 20 5 DFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453167274 317167696 /nfs/dbraw/zinc/16/76/96/317167696.db2.gz AEVSXJKGWCMMRJ-XJKSGUPXSA-N 1 0 306.406 2.913 20 5 DFBDRO CCn1nncc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459503024 317326260 /nfs/dbraw/zinc/32/62/60/317326260.db2.gz GKEBUWIWRFSLHN-CQSZACIVSA-N 1 0 315.377 2.586 20 5 DFBDRO C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000491505812 317578893 /nfs/dbraw/zinc/57/88/93/317578893.db2.gz MKVNDOHZJIFJFU-ZBTGYSDGSA-N 1 0 317.389 2.551 20 5 DFBDRO Cc1cccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000551787079 317859314 /nfs/dbraw/zinc/85/93/14/317859314.db2.gz YIZVDLISRIKULV-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000573556406 318021538 /nfs/dbraw/zinc/02/15/38/318021538.db2.gz WOPUENRREXWGJT-HNNXBMFYSA-N 1 0 317.389 2.782 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000574926671 318051924 /nfs/dbraw/zinc/05/19/24/318051924.db2.gz JZKNXAGNWORTGG-WMLDXEAASA-N 1 0 312.369 2.775 20 5 DFBDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000575132469 318066047 /nfs/dbraw/zinc/06/60/47/318066047.db2.gz SDKBFBGIJBCTOL-VXGBXAGGSA-N 1 0 300.362 2.672 20 5 DFBDRO Cn1ccnc1[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134269 318066055 /nfs/dbraw/zinc/06/60/55/318066055.db2.gz TVQMHLSIUKYRQP-LLVKDONJSA-N 1 0 320.780 2.971 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1NCC13CCC[NH+]1CCC3)CCCC2 ZINC000575176744 318068324 /nfs/dbraw/zinc/06/83/24/318068324.db2.gz CYTGLVOYZYLTFK-UHFFFAOYSA-N 1 0 316.405 2.909 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000575764704 318082405 /nfs/dbraw/zinc/08/24/05/318082405.db2.gz ORFRFGGTSVXUSU-XJKSGUPXSA-N 1 0 319.405 2.639 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000575778301 318083388 /nfs/dbraw/zinc/08/33/88/318083388.db2.gz QIKOMSANEOHQRA-UHFFFAOYSA-N 1 0 323.441 2.676 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1[N+](=O)[O-] ZINC000575967341 318094441 /nfs/dbraw/zinc/09/44/41/318094441.db2.gz IXXGYKMXZQLRPF-GOEBONIOSA-N 1 0 302.374 2.904 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N1CCC([NH2+]C3CC3)CC1)CCCC2 ZINC000576938451 318160661 /nfs/dbraw/zinc/16/06/61/318160661.db2.gz BMMQWUVRFHWWGX-UHFFFAOYSA-N 1 0 316.405 2.589 20 5 DFBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000578499403 318264692 /nfs/dbraw/zinc/26/46/92/318264692.db2.gz LNUCXRMOYJLRIY-FMKPAKJESA-N 1 0 322.405 2.750 20 5 DFBDRO C[C@@H]1CCCN(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000578667109 318277333 /nfs/dbraw/zinc/27/73/33/318277333.db2.gz GZIYJUSMBTVDLV-CJNGLKHVSA-N 1 0 303.406 2.904 20 5 DFBDRO COc1ccc(NC(=O)CC[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])c1 ZINC000579730954 318351231 /nfs/dbraw/zinc/35/12/31/318351231.db2.gz XLRFIPPLSJEHKC-CQSZACIVSA-N 1 0 321.377 2.710 20 5 DFBDRO C[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000579796583 318354088 /nfs/dbraw/zinc/35/40/88/318354088.db2.gz PQUDWORBNQAFML-TXEJJXNPSA-N 1 0 300.362 2.672 20 5 DFBDRO CC(C)C[N@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)C ZINC000192850082 323248208 /nfs/dbraw/zinc/24/82/08/323248208.db2.gz ZDTVUXYUDUXIIH-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1cc(N[C@H](C)CC(C)(C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000384828962 323308296 /nfs/dbraw/zinc/30/82/96/323308296.db2.gz GNQUPLISBOBJAJ-LLVKDONJSA-N 1 0 303.362 2.835 20 5 DFBDRO COc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000388662204 323331251 /nfs/dbraw/zinc/33/12/51/323331251.db2.gz GIXBJCXSWIPVIP-LLVKDONJSA-N 1 0 311.357 2.885 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000580770143 323432277 /nfs/dbraw/zinc/43/22/77/323432277.db2.gz QUUITWOWWTUVSG-CBBWQLFWSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1cc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000583740776 323905296 /nfs/dbraw/zinc/90/52/96/323905296.db2.gz SLAKZSBZXORGPR-INIZCTEOSA-N 1 0 318.377 2.511 20 5 DFBDRO CC(C)[NH+](CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000584030374 331589894 /nfs/dbraw/zinc/58/98/94/331589894.db2.gz HDFMLVMDCXBILB-AWEZNQCLSA-N 1 0 321.421 2.933 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CC3)CC2)nc1-c1ccccc1 ZINC000090085507 501083594 /nfs/dbraw/zinc/08/35/94/501083594.db2.gz LNYPNCPPCWUKRU-UHFFFAOYSA-N 1 0 324.384 2.941 20 5 DFBDRO C[C@@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000302073072 534088685 /nfs/dbraw/zinc/08/86/85/534088685.db2.gz WONMNNXZCJDILH-OLZOCXBDSA-N 1 0 307.394 2.619 20 5 DFBDRO C[C@H]1SCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000331351055 534133192 /nfs/dbraw/zinc/13/31/92/534133192.db2.gz NZRLXCMOIGHUNY-VXGBXAGGSA-N 1 0 323.418 2.749 20 5 DFBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc([N+](=O)[O-])cc1F ZINC000323421334 534370615 /nfs/dbraw/zinc/37/06/15/534370615.db2.gz OMYCJQQTAFDYGN-UHFFFAOYSA-N 1 0 315.304 2.632 20 5 DFBDRO Cc1nc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301689966 534496427 /nfs/dbraw/zinc/49/64/27/534496427.db2.gz YEXUZPUWOPWQRW-CQSZACIVSA-N 1 0 304.394 2.975 20 5 DFBDRO CCOc1cc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000365192473 520699955 /nfs/dbraw/zinc/69/99/55/520699955.db2.gz WRZWJGPQQIVMMQ-GDBMZVCRSA-N 1 0 319.405 2.520 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000156666148 522088469 /nfs/dbraw/zinc/08/84/69/522088469.db2.gz HIPYDPQOLKAHQF-SNVBAGLBSA-N 1 0 303.284 2.802 20 5 DFBDRO Cc1cc(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000364204218 525175040 /nfs/dbraw/zinc/17/50/40/525175040.db2.gz WQGSJIHRBFIJLA-AWEZNQCLSA-N 1 0 318.377 2.605 20 5 DFBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000338359967 525361324 /nfs/dbraw/zinc/36/13/24/525361324.db2.gz VBGRPOOWBGMICH-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO C[C@@H]1[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000368831667 525544101 /nfs/dbraw/zinc/54/41/01/525544101.db2.gz BCIQFAKGCKNQKG-AWEZNQCLSA-N 1 0 320.389 2.865 20 5 DFBDRO Cc1c([C@H](C)[NH2+]CCCOC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000158208780 525914971 /nfs/dbraw/zinc/91/49/71/525914971.db2.gz RMIBKTXLBDEYCP-GJZGRUSLSA-N 1 0 322.405 2.997 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cccc1[N+](=O)[O-] ZINC000364313467 525922422 /nfs/dbraw/zinc/92/24/22/525922422.db2.gz YJGPAQWFGUQXNV-JJRVBVJISA-N 1 0 320.389 2.892 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261919475 536465390 /nfs/dbraw/zinc/46/53/90/536465390.db2.gz HPLCMYYAACMLFL-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO C[NH2+]C[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000262017983 536465403 /nfs/dbraw/zinc/46/54/03/536465403.db2.gz XGPIRHXRMPCANW-GFCCVEGCSA-N 1 0 300.362 2.579 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC000365094984 527355506 /nfs/dbraw/zinc/35/55/06/527355506.db2.gz YDYDBYJZRHABAL-HIFRSBDPSA-N 1 0 323.780 2.592 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000364202930 527355553 /nfs/dbraw/zinc/35/55/53/527355553.db2.gz JZKGYCGLLASRCE-HIFRSBDPSA-N 1 0 323.780 2.592 20 5 DFBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCc3ccsc3C2)c1 ZINC000132471964 527394373 /nfs/dbraw/zinc/39/43/73/527394373.db2.gz PLADMLLNCSBPPQ-AWEZNQCLSA-N 1 0 304.371 2.748 20 5 DFBDRO CCC1(CO)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000305800226 527767555 /nfs/dbraw/zinc/76/75/55/527767555.db2.gz DNNHDGALZGMEME-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO CCC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000317523953 528226955 /nfs/dbraw/zinc/22/69/55/528226955.db2.gz SNLCNWMTUFOXBT-JKSUJKDBSA-N 1 0 308.378 2.831 20 5 DFBDRO CC(C)[C@H]([NH3+])CCN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000318307132 529046222 /nfs/dbraw/zinc/04/62/22/529046222.db2.gz PVXIGPFJJUEFQA-SECBINFHSA-N 1 0 320.315 2.818 20 5 DFBDRO CC(C)(c1nc(C2([NH3+])CCC2)no1)c1ccc([N+](=O)[O-])cc1 ZINC000261940766 535336867 /nfs/dbraw/zinc/33/68/67/535336867.db2.gz MRESCUWEOSKREM-UHFFFAOYSA-N 1 0 302.334 2.642 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000354546009 535353527 /nfs/dbraw/zinc/35/35/27/535353527.db2.gz FSPDZRQDWFJTAG-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCOCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236906721 535626270 /nfs/dbraw/zinc/62/62/70/535626270.db2.gz HRNSJCRLHIONRP-UHFFFAOYSA-N 1 0 320.345 2.990 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc(-c2cc(SC)ccc2[N+](=O)[O-])n1 ZINC000261802182 536405249 /nfs/dbraw/zinc/40/52/49/536405249.db2.gz PFEYNWOSAPKTNR-MRVPVSSYSA-N 1 0 308.363 2.517 20 5 DFBDRO COc1cc(N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000262103431 536824063 /nfs/dbraw/zinc/82/40/63/536824063.db2.gz IZQIYWIQMSOXFA-UHFFFAOYSA-N 1 0 305.378 2.572 20 5 DFBDRO COc1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)ccc1[N+](=O)[O-] ZINC000261956121 536824222 /nfs/dbraw/zinc/82/42/22/536824222.db2.gz NXHWBYDKDVGFAO-AWEZNQCLSA-N 1 0 305.378 2.572 20 5 DFBDRO Cc1c(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cccc1[N+](=O)[O-] ZINC000459248559 299066498 /nfs/dbraw/zinc/06/64/98/299066498.db2.gz DNFFDEBHGXCRSJ-CYBMUJFWSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000181299044 199277840 /nfs/dbraw/zinc/27/78/40/199277840.db2.gz VGYHPUGQZFUCJS-GFCCVEGCSA-N 1 0 314.345 2.588 20 5 DFBDRO CSc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000286233846 295675297 /nfs/dbraw/zinc/67/52/97/295675297.db2.gz ULSYMWKYEDXXJV-GFCCVEGCSA-N 1 0 323.418 2.660 20 5 DFBDRO CC(C)OC1CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278763394 214384652 /nfs/dbraw/zinc/38/46/52/214384652.db2.gz UBDLDVPRGAIPSO-UHFFFAOYSA-N 1 0 304.350 2.517 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC000316985237 231155838 /nfs/dbraw/zinc/15/58/38/231155838.db2.gz MCGCTDSFJRZFGM-ZJUUUORDSA-N 1 0 315.295 2.944 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)C ZINC000065962739 398353232 /nfs/dbraw/zinc/35/32/32/398353232.db2.gz HSSFMKGLZBKSOY-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)C ZINC000065962740 398353334 /nfs/dbraw/zinc/35/33/34/398353334.db2.gz NRUCTHMLLYVNGU-UHFFFAOYSA-N 1 0 309.366 2.520 20 5 DFBDRO C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635992 398364962 /nfs/dbraw/zinc/36/49/62/398364962.db2.gz QLLBSJCAWUZWNO-HNNXBMFYSA-N 1 0 303.406 2.759 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000066203180 398362759 /nfs/dbraw/zinc/36/27/59/398362759.db2.gz SRSYPKWFTWEQJY-LBPRGKRZSA-N 1 0 308.382 2.755 20 5 DFBDRO C[N@@H+]1C[C@@H](CNc2cccnc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000591985335 398367996 /nfs/dbraw/zinc/36/79/96/398367996.db2.gz GJONKXGYFQCEPW-CABCVRRESA-N 1 0 312.373 2.747 20 5 DFBDRO Cc1ccnc(N2CC[N@@H+](C)C3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000596251696 398368383 /nfs/dbraw/zinc/36/83/83/398368383.db2.gz WTMMNOUMDXXXDP-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000237228163 398368651 /nfs/dbraw/zinc/36/86/51/398368651.db2.gz KYYUCPSJDHJWJG-UHFFFAOYSA-N 1 0 300.314 2.671 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000596268988 398373050 /nfs/dbraw/zinc/37/30/50/398373050.db2.gz PJGHXRDRJBIYQH-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO C[C@H]([NH2+]CCCOC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000090083965 185281333 /nfs/dbraw/zinc/28/13/33/185281333.db2.gz IPNXRURMSUWEGC-ZDUSSCGKSA-N 1 0 308.378 2.831 20 5 DFBDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000090184319 185286084 /nfs/dbraw/zinc/28/60/84/185286084.db2.gz ZYAMEAOCNTXFIU-GFCCVEGCSA-N 1 0 305.378 2.552 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1Cl ZINC000090539017 185301583 /nfs/dbraw/zinc/30/15/83/185301583.db2.gz VWVVDDRIEXCFGE-VIFPVBQESA-N 1 0 312.732 2.935 20 5 DFBDRO CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1cc(F)ccc1F ZINC000090538367 185301651 /nfs/dbraw/zinc/30/16/51/185301651.db2.gz QSZMUBFHZRYNNJ-AWEZNQCLSA-N 1 0 310.304 2.810 20 5 DFBDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000090538216 185301683 /nfs/dbraw/zinc/30/16/83/185301683.db2.gz AIAAWOHFNWLIGT-STQMWFEESA-N 1 0 318.377 2.582 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)c1ccccc1Cl ZINC000090552863 185302837 /nfs/dbraw/zinc/30/28/37/185302837.db2.gz PVMUZTDOKXYSCQ-NSHDSACASA-N 1 0 321.764 2.761 20 5 DFBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000090559006 185303320 /nfs/dbraw/zinc/30/33/20/185303320.db2.gz PAWHPEWXVURYSP-UKRRQHHQSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(C)O[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000592134075 398389313 /nfs/dbraw/zinc/38/93/13/398389313.db2.gz KJAHWRIRFWWATM-MRXNPFEDSA-N 1 0 308.378 2.863 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000592140191 398390302 /nfs/dbraw/zinc/39/03/02/398390302.db2.gz PFAGEKGIYDXRDI-OAHLLOKOSA-N 1 0 313.357 2.858 20 5 DFBDRO COCC[N@H+](C)CCCNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000092607601 185328687 /nfs/dbraw/zinc/32/86/87/185328687.db2.gz KMJKPFYVKXEZQQ-UHFFFAOYSA-N 1 0 318.377 2.523 20 5 DFBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc2c(c1)OCO2 ZINC000015029457 398391875 /nfs/dbraw/zinc/39/18/75/398391875.db2.gz KHHUXNHCNBUAEO-UHFFFAOYSA-N 1 0 300.314 2.956 20 5 DFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000016102285 398398258 /nfs/dbraw/zinc/39/82/58/398398258.db2.gz DGOKXGIMFPGEBH-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO CC[N@H+](CCSC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000592201420 398400821 /nfs/dbraw/zinc/40/08/21/398400821.db2.gz SLNAKIWOTPZAGR-LLVKDONJSA-N 1 0 311.407 2.607 20 5 DFBDRO CCc1nn(C)c(NCC[C@@H](C)[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000302183872 529767721 /nfs/dbraw/zinc/76/77/21/529767721.db2.gz SOTOJBANFAWYIT-GFCCVEGCSA-N 1 0 309.414 2.567 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181561014 199317464 /nfs/dbraw/zinc/31/74/64/199317464.db2.gz XRYRMDKAXYVMPX-GJZGRUSLSA-N 1 0 310.394 2.812 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1C)[C@H]1CC[N@H+](C)C1 ZINC000592248960 398407441 /nfs/dbraw/zinc/40/74/41/398407441.db2.gz FRHQIPYHRUELCH-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CC(C)Cn1nccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000592364059 398416366 /nfs/dbraw/zinc/41/63/66/398416366.db2.gz QYCPSLUBVWBLMA-UHFFFAOYSA-N 1 0 302.378 2.780 20 5 DFBDRO CN(CC1C[NH+](C)C1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000596452829 398416516 /nfs/dbraw/zinc/41/65/16/398416516.db2.gz GUKNQUNYRSUNTC-UHFFFAOYSA-N 1 0 318.402 2.716 20 5 DFBDRO Cc1cc(NCCO[C@H]2CC2(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596445901 398414343 /nfs/dbraw/zinc/41/43/43/398414343.db2.gz AKXUCYACOIESJE-AWEZNQCLSA-N 1 0 323.299 2.709 20 5 DFBDRO CC[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000592397475 398420994 /nfs/dbraw/zinc/42/09/94/398420994.db2.gz MCAVOICHIUYSCP-NVXWUHKLSA-N 1 0 322.405 2.813 20 5 DFBDRO C[C@@H](CCNC(=O)c1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000183093257 199535323 /nfs/dbraw/zinc/53/53/23/199535323.db2.gz OJMBBVSRTISQLW-LBPRGKRZSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cccc1[N+](=O)[O-] ZINC000592396114 398420829 /nfs/dbraw/zinc/42/08/29/398420829.db2.gz HHBLDSBBVBXVTK-CXAGYDPISA-N 1 0 322.405 2.731 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000592396076 398420858 /nfs/dbraw/zinc/42/08/58/398420858.db2.gz GLDYHUPBFLJMOL-GUYCJALGSA-N 1 0 322.405 2.731 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584830450 398418240 /nfs/dbraw/zinc/41/82/40/398418240.db2.gz RLPJSBVPEWJNSY-IAGOWNOFSA-N 1 0 319.405 2.580 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426346 398424609 /nfs/dbraw/zinc/42/46/09/398424609.db2.gz WPAGAOIRMUPKRH-RDJZCZTQSA-N 1 0 303.406 2.867 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478622 398431644 /nfs/dbraw/zinc/43/16/44/398431644.db2.gz GGHHLGXQVGDLMY-SWLSCSKDSA-N 1 0 307.369 2.698 20 5 DFBDRO Cc1cc(N2CC[C@@H]3COC[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596525783 398438230 /nfs/dbraw/zinc/43/82/30/398438230.db2.gz AEIGYLCQBPLEHN-CHWSQXEVSA-N 1 0 313.357 2.924 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCOCC3)CC2)c1 ZINC000088724712 398440929 /nfs/dbraw/zinc/44/09/29/398440929.db2.gz HIECYRCGNDGXDT-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CN(C)c1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282842923 282318654 /nfs/dbraw/zinc/31/86/54/282318654.db2.gz CTFPWHQILJVXLL-UHFFFAOYSA-N 1 0 320.418 2.792 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570430 398449786 /nfs/dbraw/zinc/44/97/86/398449786.db2.gz KYBWXOIMWJBJNG-AWEZNQCLSA-N 1 0 321.425 2.654 20 5 DFBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000299725024 530049160 /nfs/dbraw/zinc/04/91/60/530049160.db2.gz ZYDBUNVOAXEIOH-UHFFFAOYSA-N 1 0 308.338 2.647 20 5 DFBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2OC(F)F)CC1 ZINC000302143967 530050634 /nfs/dbraw/zinc/05/06/34/530050634.db2.gz GPLGNPVWRHVCHH-UHFFFAOYSA-N 1 0 301.293 2.702 20 5 DFBDRO CN1CC[NH+](CCC(C)(C)Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000302243173 530072220 /nfs/dbraw/zinc/07/22/20/530072220.db2.gz JKAGHCYXYRVUQR-UHFFFAOYSA-N 1 0 324.400 2.562 20 5 DFBDRO Cn1ncc2c1CC(C)(C)CN(Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000596598625 398457307 /nfs/dbraw/zinc/45/73/07/398457307.db2.gz JJJSUNQVJQEDSV-UHFFFAOYSA-N 1 0 314.389 2.913 20 5 DFBDRO CCCC[N@H+](CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000027272387 398461378 /nfs/dbraw/zinc/46/13/78/398461378.db2.gz KNAICQIGDPZWEA-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C ZINC000027132824 398459507 /nfs/dbraw/zinc/45/95/07/398459507.db2.gz GSZTZNMTGSLHKY-LLVKDONJSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@@H]([N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000027136745 398459644 /nfs/dbraw/zinc/45/96/44/398459644.db2.gz LHFOUHINJRDNIB-TZMCWYRMSA-N 1 0 310.394 2.701 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000027771321 398467406 /nfs/dbraw/zinc/46/74/06/398467406.db2.gz GLOYXNXVWDFVFU-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCSC(C)(C)C1 ZINC000083416160 192369213 /nfs/dbraw/zinc/36/92/13/192369213.db2.gz RHPWEUSJGDDHGE-UHFFFAOYSA-N 1 0 323.418 2.669 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)cc1[N+](=O)[O-] ZINC000090046822 398475433 /nfs/dbraw/zinc/47/54/33/398475433.db2.gz FNGMWCFUVGNKAY-HUUCEWRRSA-N 1 0 321.421 2.665 20 5 DFBDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000028905296 398477335 /nfs/dbraw/zinc/47/73/35/398477335.db2.gz OPNLCQWGWQZZMZ-CHWSQXEVSA-N 1 0 305.378 2.536 20 5 DFBDRO CCC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000183217778 199557036 /nfs/dbraw/zinc/55/70/36/199557036.db2.gz AYRHWKLJTMAUKQ-AWEZNQCLSA-N 1 0 307.394 2.798 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000592770837 398482569 /nfs/dbraw/zinc/48/25/69/398482569.db2.gz DZTFMRUEBNXCQC-JKSUJKDBSA-N 1 0 317.389 2.789 20 5 DFBDRO CC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000592773304 398482856 /nfs/dbraw/zinc/48/28/56/398482856.db2.gz UCUZSEMBCSRMQU-LSDHHAIUSA-N 1 0 305.378 2.646 20 5 DFBDRO CCC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090412541 398486156 /nfs/dbraw/zinc/48/61/56/398486156.db2.gz AUYIYBJOSSVBEG-ZBFHGGJFSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+](C)CC2CCC2)cccc1[N+](=O)[O-] ZINC000111297082 185576037 /nfs/dbraw/zinc/57/60/37/185576037.db2.gz MOKQPRNWWXCOJH-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CCC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000090412543 398486569 /nfs/dbraw/zinc/48/65/69/398486569.db2.gz AUYIYBJOSSVBEG-GDBMZVCRSA-N 1 0 305.378 2.646 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000029621695 398489050 /nfs/dbraw/zinc/48/90/50/398489050.db2.gz WZGQFSVSJWZZOL-NSHDSACASA-N 1 0 308.338 2.789 20 5 DFBDRO C[NH+](C)Cc1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000029953791 398494175 /nfs/dbraw/zinc/49/41/75/398494175.db2.gz STHAEOAIGJPCTJ-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000030142098 398496354 /nfs/dbraw/zinc/49/63/54/398496354.db2.gz LIYPEOMMAFNISO-ZDUSSCGKSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000030148677 398497077 /nfs/dbraw/zinc/49/70/77/398497077.db2.gz VSFXDWWJIOTIGE-LLVKDONJSA-N 1 0 309.366 2.518 20 5 DFBDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000030269459 398499285 /nfs/dbraw/zinc/49/92/85/398499285.db2.gz JHDWCHXIRUWGMJ-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO Cc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccc1[N+](=O)[O-] ZINC000068365286 398498520 /nfs/dbraw/zinc/49/85/20/398498520.db2.gz AZJDTTWGGGGWGY-UHFFFAOYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000331019593 232349577 /nfs/dbraw/zinc/34/95/77/232349577.db2.gz WSPWCWQJBVOZHH-LLVKDONJSA-N 1 0 305.378 2.962 20 5 DFBDRO CCC[N@@H+]1CC[C@H](NC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000596837443 398510862 /nfs/dbraw/zinc/51/08/62/398510862.db2.gz VFXSVAGYPAXHII-ZDUSSCGKSA-N 1 0 320.393 2.817 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@H]1CCCSC1)OCCO2 ZINC000588928726 398517932 /nfs/dbraw/zinc/51/79/32/398517932.db2.gz MUOWOMNGSBHWLA-LLVKDONJSA-N 1 0 324.402 2.599 20 5 DFBDRO CCOCC(C)(C)C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000588934199 398518598 /nfs/dbraw/zinc/51/85/98/398518598.db2.gz LQJPQCPOIAIELP-UHFFFAOYSA-N 1 0 324.377 2.518 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000272653447 210059386 /nfs/dbraw/zinc/05/93/86/210059386.db2.gz FMHYAJPKIIWXGQ-GFCCVEGCSA-N 1 0 317.389 2.537 20 5 DFBDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000593048476 398530777 /nfs/dbraw/zinc/53/07/77/398530777.db2.gz LDKQIUJIBOENBE-JSGCOSHPSA-N 1 0 310.394 2.880 20 5 DFBDRO Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000032732404 398537848 /nfs/dbraw/zinc/53/78/48/398537848.db2.gz FYMGWFOGKOURFW-STQMWFEESA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[NH2+]C1(C2CCC2)CC1 ZINC000593082228 398540475 /nfs/dbraw/zinc/54/04/75/398540475.db2.gz UHANEKUJCAKTIG-UHFFFAOYSA-N 1 0 303.362 2.764 20 5 DFBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000459607457 299146583 /nfs/dbraw/zinc/14/65/83/299146583.db2.gz GUUQKUBBVIDABU-BDJLRTHQSA-N 1 0 305.378 2.752 20 5 DFBDRO CCc1nn(C)c(N[C@H]2CC[N@H+](CC3CCCC3)C2)c1[N+](=O)[O-] ZINC000091727985 398542557 /nfs/dbraw/zinc/54/25/57/398542557.db2.gz CONOMRZNKWYNHH-ZDUSSCGKSA-N 1 0 321.425 2.567 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NC1CC[NH2+]CC1 ZINC000037116597 398554967 /nfs/dbraw/zinc/55/49/67/398554967.db2.gz YEWNABLGXGWCGR-UHFFFAOYSA-N 1 0 300.156 2.521 20 5 DFBDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)[C@H](C)O1 ZINC000414263152 295782218 /nfs/dbraw/zinc/78/22/18/295782218.db2.gz PGGVLXAIBKGDCM-XLWJZTARSA-N 1 0 322.409 2.678 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000589500079 398556948 /nfs/dbraw/zinc/55/69/48/398556948.db2.gz RADOKXBQEQGWMX-BETUJISGSA-N 1 0 304.346 2.613 20 5 DFBDRO CN(CC[NH+]1CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000593182520 398566866 /nfs/dbraw/zinc/56/68/66/398566866.db2.gz RLBDHKVBGUKVPH-UHFFFAOYSA-N 1 0 306.366 2.544 20 5 DFBDRO CSC1(CNc2ccsc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000589604638 398563158 /nfs/dbraw/zinc/56/31/58/398563158.db2.gz ZEWVYGBREGABMQ-UHFFFAOYSA-N 1 0 301.437 2.896 20 5 DFBDRO Cc1cc(N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1[N+](=O)[O-] ZINC000593232253 398576803 /nfs/dbraw/zinc/57/68/03/398576803.db2.gz LCDUXWXRGVUCNI-GRDNDAEWSA-N 1 0 319.405 2.626 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000593234137 398577557 /nfs/dbraw/zinc/57/75/57/398577557.db2.gz ZBIAXGYQFXHGPO-AWEZNQCLSA-N 1 0 302.378 2.953 20 5 DFBDRO Cc1cccc(N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593234607 398577566 /nfs/dbraw/zinc/57/75/66/398577566.db2.gz YKZBOMVOLUHLCG-DZKIICNBSA-N 1 0 319.405 2.626 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC[NH2+]1 ZINC000092456984 398577579 /nfs/dbraw/zinc/57/75/79/398577579.db2.gz PQKXCMDEQLGCIO-GFCCVEGCSA-N 1 0 301.346 2.649 20 5 DFBDRO Cc1cccc(N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1[N+](=O)[O-] ZINC000593234610 398577630 /nfs/dbraw/zinc/57/76/30/398577630.db2.gz YKZBOMVOLUHLCG-SQWLQELKSA-N 1 0 319.405 2.626 20 5 DFBDRO C[NH+](C)CCN(C(=O)c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000081551923 282635511 /nfs/dbraw/zinc/63/55/11/282635511.db2.gz KVBYIYFQDKNDDP-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])c2cccnc12)C1CC1 ZINC000092650591 398588980 /nfs/dbraw/zinc/58/89/80/398588980.db2.gz QHBYKHUEFAGZBM-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000597207527 398590204 /nfs/dbraw/zinc/59/02/04/398590204.db2.gz YYPZBBLPJMCNBU-OBFMZJQYSA-N 1 0 304.390 2.947 20 5 DFBDRO CC(C)c1ccc(CN2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC000590052600 398592521 /nfs/dbraw/zinc/59/25/21/398592521.db2.gz FMJSEPOLXZWGHO-YOEHRIQHSA-N 1 0 303.406 2.854 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1N1CCN(c2cc[nH+]cc2)CC1 ZINC000590078659 398594746 /nfs/dbraw/zinc/59/47/46/398594746.db2.gz NAUUNZTXNHHLOR-UHFFFAOYSA-N 1 0 318.764 2.970 20 5 DFBDRO [NH3+]C[C@]12CCC[C@H]1CN(C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000593315564 398596865 /nfs/dbraw/zinc/59/68/65/398596865.db2.gz LMCNVMPOSILBQE-KAUISWQESA-N 1 0 301.390 2.669 20 5 DFBDRO C[C@H](O)C1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC000597235257 398599684 /nfs/dbraw/zinc/59/96/84/398599684.db2.gz WIIHWIUMNHSJOS-JTQLQIEISA-N 1 0 319.386 2.721 20 5 DFBDRO Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000043084841 398611894 /nfs/dbraw/zinc/61/18/94/398611894.db2.gz FYMGWFOGKOURFW-QWHCGFSZSA-N 1 0 319.405 2.896 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150753731 186063372 /nfs/dbraw/zinc/06/33/72/186063372.db2.gz SXYMTXGGSRHTFB-HNNXBMFYSA-N 1 0 317.389 2.685 20 5 DFBDRO C[C@@H](c1cccnc1)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000093234888 398625517 /nfs/dbraw/zinc/62/55/17/398625517.db2.gz UWAXVCRXDDTJIM-LRDDRELGSA-N 1 0 301.346 2.716 20 5 DFBDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000590569089 398632591 /nfs/dbraw/zinc/63/25/91/398632591.db2.gz KQRMKMSWESQFSN-MWLCHTKSSA-N 1 0 315.320 2.725 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000459705949 299168495 /nfs/dbraw/zinc/16/84/95/299168495.db2.gz IGOJHNSMAATHHI-OAHLLOKOSA-N 1 0 308.378 2.865 20 5 DFBDRO CC(C)OCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000171499013 186169115 /nfs/dbraw/zinc/16/91/15/186169115.db2.gz SXQSFZPTGCZSIJ-UHFFFAOYSA-N 1 0 307.394 2.532 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000414649925 295811472 /nfs/dbraw/zinc/81/14/72/295811472.db2.gz APAGWPCWXPHRMX-LBPRGKRZSA-N 1 0 306.366 2.509 20 5 DFBDRO COc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000173308039 186174794 /nfs/dbraw/zinc/17/47/94/186174794.db2.gz RBPQENZFHKWTIZ-SJCJKPOMSA-N 1 0 316.357 2.988 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173309342 186175336 /nfs/dbraw/zinc/17/53/36/186175336.db2.gz IQCCXRFREYVDFR-XJKSGUPXSA-N 1 0 316.357 2.685 20 5 DFBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000459709115 299169562 /nfs/dbraw/zinc/16/95/62/299169562.db2.gz TUBPOKSDQQHOJX-OAHLLOKOSA-N 1 0 308.378 2.994 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000173331350 186176975 /nfs/dbraw/zinc/17/69/75/186176975.db2.gz DRCFVPAIQCMCKN-UKRRQHHQSA-N 1 0 318.377 2.685 20 5 DFBDRO C[NH+](C)CCCC1CC[NH+](Cc2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000093688323 398643772 /nfs/dbraw/zinc/64/37/72/398643772.db2.gz FIVOPARCHCLMIK-UHFFFAOYSA-N 1 0 321.421 2.854 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000072870464 398643913 /nfs/dbraw/zinc/64/39/13/398643913.db2.gz GWGBCIWKDNOZRE-BETUJISGSA-N 1 0 305.378 2.820 20 5 DFBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)OC ZINC000590655504 398646791 /nfs/dbraw/zinc/64/67/91/398646791.db2.gz ACZAXXGBAZWERM-MEDUHNTESA-N 1 0 324.377 2.517 20 5 DFBDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000590661483 398647384 /nfs/dbraw/zinc/64/73/84/398647384.db2.gz XJLVTERTYRBKHX-IAQYHMDHSA-N 1 0 302.330 2.810 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])c(N)c1F)c1ccco1 ZINC000266838234 186355067 /nfs/dbraw/zinc/35/50/67/186355067.db2.gz GAOICBVBHMJXID-LLVKDONJSA-N 1 0 308.313 2.624 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000112919671 282724973 /nfs/dbraw/zinc/72/49/73/282724973.db2.gz LAFNLQFWWHSIEG-ZHACJKMWSA-N 1 0 319.405 2.846 20 5 DFBDRO CC[N@@H+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])C[C@@H]1C ZINC000590695588 398653535 /nfs/dbraw/zinc/65/35/35/398653535.db2.gz FXXNDTWUKZBHGR-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CCc1nn(C)c(NCCCC[N@@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000094136729 398654133 /nfs/dbraw/zinc/65/41/33/398654133.db2.gz WQCUJLXFNKLZHU-ZDUSSCGKSA-N 1 0 323.441 2.957 20 5 DFBDRO Cc1c(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cccc1[N+](=O)[O-] ZINC000414712380 295818386 /nfs/dbraw/zinc/81/83/86/295818386.db2.gz UCTNKDUOGVIITD-FUNVUKJBSA-N 1 0 318.377 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)cc1 ZINC000459730339 299174790 /nfs/dbraw/zinc/17/47/90/299174790.db2.gz SKYOQTYSNRCSCY-JKSUJKDBSA-N 1 0 302.374 2.638 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000597532846 398656980 /nfs/dbraw/zinc/65/69/80/398656980.db2.gz LWSPPJPKRVMAJU-CHWSQXEVSA-N 1 0 317.345 2.554 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172420383 198095104 /nfs/dbraw/zinc/09/51/04/198095104.db2.gz LJIBPRWWOJACCT-UHFFFAOYSA-N 1 0 323.418 2.747 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1 ZINC000593653137 398666224 /nfs/dbraw/zinc/66/62/24/398666224.db2.gz UMOREGSKJDQABY-GOSISDBHSA-N 1 0 312.369 2.561 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CC[NH2+]C2)o1 ZINC000414915694 295834640 /nfs/dbraw/zinc/83/46/40/295834640.db2.gz ONODEOGRLVGCDY-GFCCVEGCSA-N 1 0 301.346 2.554 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](NCc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000414922851 295835354 /nfs/dbraw/zinc/83/53/54/295835354.db2.gz HKZWPPNDEDKQLS-MNOVXSKESA-N 1 0 315.320 2.556 20 5 DFBDRO COc1cccc([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000593679382 398669707 /nfs/dbraw/zinc/66/97/07/398669707.db2.gz CYJBQOSWIDEULS-KRWDZBQOSA-N 1 0 316.357 2.735 20 5 DFBDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940090 295837864 /nfs/dbraw/zinc/83/78/64/295837864.db2.gz XEXBLYIMAUACFF-BLLLJJGKSA-N 1 0 315.373 2.942 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000590776835 398672010 /nfs/dbraw/zinc/67/20/10/398672010.db2.gz JXNCOXWZUBSMHP-DYVFJYSZSA-N 1 0 300.358 2.849 20 5 DFBDRO COC(=O)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C1CC1 ZINC000593696173 398673352 /nfs/dbraw/zinc/67/33/52/398673352.db2.gz FICMOMAYXAYIEH-JKSUJKDBSA-N 1 0 318.373 2.534 20 5 DFBDRO CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000593718885 398676199 /nfs/dbraw/zinc/67/61/99/398676199.db2.gz AGGFBLNTCOLQQV-HOTGVXAUSA-N 1 0 308.378 2.567 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000072693539 191216665 /nfs/dbraw/zinc/21/66/65/191216665.db2.gz UOIHMNDDCDZSQO-CJNGLKHVSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172958720 198171252 /nfs/dbraw/zinc/17/12/52/198171252.db2.gz WRCRQQNAISCVSV-OKILXGFUSA-N 1 0 317.389 2.820 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000172969399 198171464 /nfs/dbraw/zinc/17/14/64/198171464.db2.gz CACZEBMJQXOYMF-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCC(C)(C)C1 ZINC000072827615 191234760 /nfs/dbraw/zinc/23/47/60/191234760.db2.gz KYEYORNDGKSVNJ-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@](C)(OC)C2(C)C)c([N+](=O)[O-])cc1O ZINC000072926621 191251499 /nfs/dbraw/zinc/25/14/99/191251499.db2.gz SPYWZKSHGKBRKJ-HOCLYGCPSA-N 1 0 324.377 2.602 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000173100467 198184552 /nfs/dbraw/zinc/18/45/52/198184552.db2.gz OBPUPXQAGNLJMT-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nnc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)o2)cc1 ZINC000459791222 299194347 /nfs/dbraw/zinc/19/43/47/299194347.db2.gz SUDFZTOALZBUIZ-XBFCOCLRSA-N 1 0 314.345 2.923 20 5 DFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000277134349 213316832 /nfs/dbraw/zinc/31/68/32/213316832.db2.gz PTSOWMPRXUISEK-CQSZACIVSA-N 1 0 320.437 2.589 20 5 DFBDRO CN(CC[NH3+])Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000415100072 295857616 /nfs/dbraw/zinc/85/76/16/295857616.db2.gz ADGDOCLLTRJZQW-UHFFFAOYSA-N 1 0 314.389 2.753 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 ZINC000174190982 198303781 /nfs/dbraw/zinc/30/37/81/198303781.db2.gz CVRNWMUERHEZDE-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000174210907 198306362 /nfs/dbraw/zinc/30/63/62/198306362.db2.gz BRWPVIIYLUGZAZ-HNNXBMFYSA-N 1 0 321.421 2.637 20 5 DFBDRO O=C(c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000174521270 198345714 /nfs/dbraw/zinc/34/57/14/198345714.db2.gz OGXNBTMNAOQCKR-CQSZACIVSA-N 1 0 317.389 2.543 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000597859777 398706130 /nfs/dbraw/zinc/70/61/30/398706130.db2.gz XRIYDHTXSAAZNY-HNNXBMFYSA-N 1 0 319.405 2.516 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000046374633 398705459 /nfs/dbraw/zinc/70/54/59/398705459.db2.gz VZUAURCIQZAEIT-LBPRGKRZSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1c(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)cccc1[N+](=O)[O-] ZINC000174757201 198380696 /nfs/dbraw/zinc/38/06/96/198380696.db2.gz CZKUMEQPFKLYTK-QWHCGFSZSA-N 1 0 318.377 2.604 20 5 DFBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869222 198394921 /nfs/dbraw/zinc/39/49/21/198394921.db2.gz FSWYSGVJTAQAGN-JSGCOSHPSA-N 1 0 318.352 2.808 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415307776 295876328 /nfs/dbraw/zinc/87/63/28/295876328.db2.gz ZDMPMJSTFQHZMZ-CHWSQXEVSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415307778 295876407 /nfs/dbraw/zinc/87/64/07/295876407.db2.gz ZDMPMJSTFQHZMZ-QWHCGFSZSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000046857920 398721267 /nfs/dbraw/zinc/72/12/67/398721267.db2.gz HOUCWRVUXLKESB-ZDUSSCGKSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1[N+](=O)[O-] ZINC000277026772 213247875 /nfs/dbraw/zinc/24/78/75/213247875.db2.gz NPQKEBCTDMMPDE-OCCSQVGLSA-N 1 0 305.378 2.524 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594021881 398724271 /nfs/dbraw/zinc/72/42/71/398724271.db2.gz YZBSTMGRGLHCNC-UHFFFAOYSA-N 1 0 305.422 2.944 20 5 DFBDRO CC(C)OC(=O)[C@H](C)N(C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000130062219 283038344 /nfs/dbraw/zinc/03/83/44/283038344.db2.gz CXCDKMWAWUZHFF-ZDUSSCGKSA-N 1 0 324.377 2.636 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000046952538 398727595 /nfs/dbraw/zinc/72/75/95/398727595.db2.gz FXWDPOQXRHBJHN-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000415480546 295886352 /nfs/dbraw/zinc/88/63/52/295886352.db2.gz HONPJZBAOXUTMT-CYBMUJFWSA-N 1 0 308.382 2.707 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415576093 295891646 /nfs/dbraw/zinc/89/16/46/295891646.db2.gz FVNIVIWTRIYLJL-CHWSQXEVSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415580260 295891986 /nfs/dbraw/zinc/89/19/86/295891986.db2.gz LLZZWUHHIAMZJZ-ZDUSSCGKSA-N 1 0 320.393 2.804 20 5 DFBDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415630369 295895274 /nfs/dbraw/zinc/89/52/74/295895274.db2.gz KZVKCLKACPGHOQ-ZDUSSCGKSA-N 1 0 324.356 2.634 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)NCC[C@H](C)[NH+](C)C ZINC000597994509 398735142 /nfs/dbraw/zinc/73/51/42/398735142.db2.gz ZKUCNGSARLARID-JTQLQIEISA-N 1 0 313.785 2.627 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594075499 398738017 /nfs/dbraw/zinc/73/80/17/398738017.db2.gz ZYQHHYQSWHXKGH-BETUJISGSA-N 1 0 320.393 2.673 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000047187631 398738667 /nfs/dbraw/zinc/73/86/67/398738667.db2.gz DWFAOSNPEPCOFL-CQSZACIVSA-N 1 0 319.405 2.979 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000591307955 398746964 /nfs/dbraw/zinc/74/69/64/398746964.db2.gz KHYFCKTXPVUXPY-OCCSQVGLSA-N 1 0 320.393 2.748 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)[C@@H]1C[C@H]1c1cccs1 ZINC000591348275 398750897 /nfs/dbraw/zinc/75/08/97/398750897.db2.gz KCAAQAYIWGWXQJ-KGYLQXTDSA-N 1 0 306.391 2.635 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000591357453 398752294 /nfs/dbraw/zinc/75/22/94/398752294.db2.gz QYISHWLYVYEGGN-SDDRHHMPSA-N 1 0 306.362 2.858 20 5 DFBDRO CO[C@H](C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2)CC(C)C ZINC000591357220 398752420 /nfs/dbraw/zinc/75/24/20/398752420.db2.gz KZZXKMYUABQFQO-ZDUSSCGKSA-N 1 0 324.377 2.517 20 5 DFBDRO CCCC[N@H+](CC)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000132644817 283125419 /nfs/dbraw/zinc/12/54/19/283125419.db2.gz VZNOTLQMBVNCOV-OAHLLOKOSA-N 1 0 305.378 2.822 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 ZINC000080164224 192008623 /nfs/dbraw/zinc/00/86/23/192008623.db2.gz YEVJUDTZGPRSND-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000591440703 398760989 /nfs/dbraw/zinc/76/09/89/398760989.db2.gz IIVGAEDXIAONDP-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000591440702 398761110 /nfs/dbraw/zinc/76/11/10/398761110.db2.gz IIVGAEDXIAONDP-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO Cc1cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ncc1[N+](=O)[O-] ZINC000591442766 398761613 /nfs/dbraw/zinc/76/16/13/398761613.db2.gz RWLXKKMDXYUIEF-UONOGXRCSA-N 1 0 304.394 2.514 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000591442487 398761654 /nfs/dbraw/zinc/76/16/54/398761654.db2.gz PUWLDXUYEITHHV-QWHCGFSZSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1cc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)ncc1[N+](=O)[O-] ZINC000074726045 398762182 /nfs/dbraw/zinc/76/21/82/398762182.db2.gz GOSGMOBINKFZBU-HNNXBMFYSA-N 1 0 312.373 2.985 20 5 DFBDRO Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000080716601 192184655 /nfs/dbraw/zinc/18/46/55/192184655.db2.gz JOHWNQBMSHSTDV-AGUYFDCRSA-N 1 0 317.389 2.648 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594199371 398764044 /nfs/dbraw/zinc/76/40/44/398764044.db2.gz YDCFZSKLOCHSPQ-CVEARBPZSA-N 1 0 317.389 2.650 20 5 DFBDRO Cc1cc(N[C@H]2CC[N@H+](CC3CCCC3)C2)ncc1[N+](=O)[O-] ZINC000074768092 398765560 /nfs/dbraw/zinc/76/55/60/398765560.db2.gz HTKLUEWEJVATFH-AWEZNQCLSA-N 1 0 304.394 2.975 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC000594204682 398765798 /nfs/dbraw/zinc/76/57/98/398765798.db2.gz WQQGADSYDXSRAK-HOCLYGCPSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@H+](CC1CC1)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000074772726 398765820 /nfs/dbraw/zinc/76/58/20/398765820.db2.gz SXQVSPYVRWMFIQ-GFCCVEGCSA-N 1 0 324.812 2.811 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@H+]2CC[C@@H](O)CC23CCC3)cc1 ZINC000591480111 398767362 /nfs/dbraw/zinc/76/73/62/398767362.db2.gz FEDCYOWEKPOXGT-OAHLLOKOSA-N 1 0 320.389 2.743 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1csc([N+](=O)[O-])c1 ZINC000598217744 398772665 /nfs/dbraw/zinc/77/26/65/398772665.db2.gz AVCMLQLALWMGLB-LBPRGKRZSA-N 1 0 323.418 2.793 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H](NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000591578042 398772769 /nfs/dbraw/zinc/77/27/69/398772769.db2.gz PAYLWBHBHNJPBI-HZPDHXFCSA-N 1 0 303.406 2.648 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H](NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000591578041 398772867 /nfs/dbraw/zinc/77/28/67/398772867.db2.gz PAYLWBHBHNJPBI-HOTGVXAUSA-N 1 0 303.406 2.648 20 5 DFBDRO CCCN(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000236829595 202029934 /nfs/dbraw/zinc/02/99/34/202029934.db2.gz VQHIEUHQRBEVQX-VMPITWQZSA-N 1 0 317.389 2.599 20 5 DFBDRO CCCN(C(=O)c1ccc([N+](=O)[O-])cc1C)C1CC[NH2+]CC1 ZINC000236838692 202032945 /nfs/dbraw/zinc/03/29/45/202032945.db2.gz RBEOQPDYJUBNBE-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000591651835 398778807 /nfs/dbraw/zinc/77/88/07/398778807.db2.gz YOXGPUQFIGICEP-ZDUSSCGKSA-N 1 0 317.389 2.507 20 5 DFBDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000236883965 202052058 /nfs/dbraw/zinc/05/20/58/202052058.db2.gz IQIFFYLHORWHDP-RNCFNFMXSA-N 1 0 313.785 2.580 20 5 DFBDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000591757427 398783855 /nfs/dbraw/zinc/78/38/55/398783855.db2.gz AVDLODMWPDWSCH-OLZOCXBDSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC(C)(C)[NH+]1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000594389511 398791278 /nfs/dbraw/zinc/79/12/78/398791278.db2.gz LEUXPNILOAJKFH-UHFFFAOYSA-N 1 0 323.368 2.680 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)ccc1[N+](=O)[O-] ZINC000276922143 213177026 /nfs/dbraw/zinc/17/70/26/213177026.db2.gz PGGXUOMWJVFOHZ-WBMJQRKESA-N 1 0 308.378 2.850 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000276872589 213147662 /nfs/dbraw/zinc/14/76/62/213147662.db2.gz HSSGNAQEOQKJSV-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO CCOc1cc(C[NH+]2CCC([C@H](C)O)CC2)ccc1[N+](=O)[O-] ZINC000276878591 213149813 /nfs/dbraw/zinc/14/98/13/213149813.db2.gz INDUTEKTCAUART-LBPRGKRZSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](COC)C2)ccc1[N+](=O)[O-] ZINC000276859369 213137484 /nfs/dbraw/zinc/13/74/84/213137484.db2.gz GCGDSIMQJNPCCH-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292361584 223020686 /nfs/dbraw/zinc/02/06/86/223020686.db2.gz LSYVMJPDCYVCJC-ZDUSSCGKSA-N 1 0 317.389 2.541 20 5 DFBDRO CCC[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000466490941 299263447 /nfs/dbraw/zinc/26/34/47/299263447.db2.gz PSHGSJLODOCOIY-GOEBONIOSA-N 1 0 322.405 2.847 20 5 DFBDRO Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494679 398808844 /nfs/dbraw/zinc/80/88/44/398808844.db2.gz QSRWPRMMHYZXGS-LSDHHAIUSA-N 1 0 312.373 2.983 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000594494925 398809501 /nfs/dbraw/zinc/80/95/01/398809501.db2.gz LLHFRDYQAFQZCA-CZUORRHYSA-N 1 0 301.390 2.656 20 5 DFBDRO CCCNC(=O)C1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075596536 398812193 /nfs/dbraw/zinc/81/21/93/398812193.db2.gz DRNMFUWUNVIWPW-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO C[C@H](CNc1ccc([N+](=O)[O-])nc1)[N@@H+]1CCc2ccccc2C1 ZINC000075607227 398812626 /nfs/dbraw/zinc/81/26/26/398812626.db2.gz UYEZGDJIDIFCBM-CYBMUJFWSA-N 1 0 312.373 2.849 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000594508605 398812648 /nfs/dbraw/zinc/81/26/48/398812648.db2.gz DNLGJJXORAGKDH-APIJFGDWSA-N 1 0 321.421 2.743 20 5 DFBDRO COc1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594519082 398815651 /nfs/dbraw/zinc/81/56/51/398815651.db2.gz SUFHIGWSVUYJNB-GFCCVEGCSA-N 1 0 301.346 2.719 20 5 DFBDRO CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)c1cc(F)ccc1F ZINC000179771732 199077846 /nfs/dbraw/zinc/07/78/46/199077846.db2.gz OGSMBWRIQQAQGM-CYBMUJFWSA-N 1 0 310.304 2.810 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000075772773 398821305 /nfs/dbraw/zinc/82/13/05/398821305.db2.gz MQAIGTVMMGVWLM-UHFFFAOYSA-N 1 0 323.356 2.524 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccnc(N3CCCC3)c2)c1 ZINC000075761157 398821774 /nfs/dbraw/zinc/82/17/74/398821774.db2.gz CJUWHAYXMBWIDN-UHFFFAOYSA-N 1 0 312.373 2.880 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000598466800 398817979 /nfs/dbraw/zinc/81/79/79/398817979.db2.gz VVVMTINNORDKSR-UHFFFAOYSA-N 1 0 311.357 2.584 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1N[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CCN2 ZINC000594602510 398829366 /nfs/dbraw/zinc/82/93/66/398829366.db2.gz QUTRQPURBYRLEJ-HUUCEWRRSA-N 1 0 316.405 2.992 20 5 DFBDRO CC[N@H+](C)Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000179912458 199093833 /nfs/dbraw/zinc/09/38/33/199093833.db2.gz DBJSZXDRRSMLOT-UHFFFAOYSA-N 1 0 304.293 2.699 20 5 DFBDRO C[N@H+](Cc1cn(-c2ccc([N+](=O)[O-])cc2)nn1)C1CCCCC1 ZINC000594640347 398835449 /nfs/dbraw/zinc/83/54/49/398835449.db2.gz KFLMCRVXGPVKEI-UHFFFAOYSA-N 1 0 315.377 2.940 20 5 DFBDRO COC(=O)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000594616680 398834815 /nfs/dbraw/zinc/83/48/15/398834815.db2.gz WMDIJMIEIMAVKM-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO COc1cc(N2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000594693595 398843007 /nfs/dbraw/zinc/84/30/07/398843007.db2.gz PSWRQJRMYJIBBQ-AWEZNQCLSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1nc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1[N+](=O)[O-] ZINC000594692941 398843174 /nfs/dbraw/zinc/84/31/74/398843174.db2.gz GEQXBDKDHCHDCH-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO C[C@@H](CNc1nc2sccn2c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000052488796 398841744 /nfs/dbraw/zinc/84/17/44/398841744.db2.gz FVHSLQYVIXFKSS-NSHDSACASA-N 1 0 323.422 2.838 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000594693660 398843758 /nfs/dbraw/zinc/84/37/58/398843758.db2.gz RGWOXQNISAMRQM-CYBMUJFWSA-N 1 0 307.369 2.950 20 5 DFBDRO Cc1nc(N2CCC([C@H]3CCC[NH2+]C3)CC2)ccc1[N+](=O)[O-] ZINC000594695212 398843793 /nfs/dbraw/zinc/84/37/93/398843793.db2.gz ACFCPFJCLGACPT-AWEZNQCLSA-N 1 0 304.394 2.514 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000594693804 398843847 /nfs/dbraw/zinc/84/38/47/398843847.db2.gz VESOYUAOZSONME-OAHLLOKOSA-N 1 0 318.421 2.823 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000594695268 398844203 /nfs/dbraw/zinc/84/42/03/398844203.db2.gz BGHCMWAAZMGXTF-CYBMUJFWSA-N 1 0 307.369 2.950 20 5 DFBDRO CC(C)CC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC3[N+](=O)[O-])c2C1 ZINC000076171059 398845387 /nfs/dbraw/zinc/84/53/87/398845387.db2.gz JUNKORYTAYIEPT-BBRMVZONSA-N 1 0 317.389 2.652 20 5 DFBDRO CC(=O)NCC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000052848885 398852723 /nfs/dbraw/zinc/85/27/23/398852723.db2.gz VINGHLIAFVCORF-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]CCCC2CCC2)c1 ZINC000594732794 398850986 /nfs/dbraw/zinc/85/09/86/398850986.db2.gz NPIWKWWGZHTYNZ-HNNXBMFYSA-N 1 0 308.378 2.504 20 5 DFBDRO COc1ccc(NC(=O)C[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000180450499 199160783 /nfs/dbraw/zinc/16/07/83/199160783.db2.gz ACHNMJFOLOGXLR-UHFFFAOYSA-N 1 0 309.366 2.661 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134774256 398867886 /nfs/dbraw/zinc/86/78/86/398867886.db2.gz GPEANHGSBDHYGG-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCNc1ccccn1 ZINC000136179088 398873691 /nfs/dbraw/zinc/87/36/91/398873691.db2.gz AEWVGXKUSRMYPX-UHFFFAOYSA-N 1 0 314.345 2.530 20 5 DFBDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000053391573 398871605 /nfs/dbraw/zinc/87/16/05/398871605.db2.gz LAZKLRBETGLXAP-CYBMUJFWSA-N 1 0 319.405 2.835 20 5 DFBDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)C(C)C)cc1[N+](=O)[O-] ZINC000180672279 199194337 /nfs/dbraw/zinc/19/43/37/199194337.db2.gz PNAKWTZCQQGXJE-UHFFFAOYSA-N 1 0 308.382 2.707 20 5 DFBDRO CCCCNC(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153324687 283362859 /nfs/dbraw/zinc/36/28/59/283362859.db2.gz OFKGMMRNEXKTQS-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cnc2n1CCC2 ZINC000594945504 398879273 /nfs/dbraw/zinc/87/92/73/398879273.db2.gz ZGMLFIUHABLLRP-UHFFFAOYSA-N 1 0 320.780 2.723 20 5 DFBDRO COc1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594957223 398880798 /nfs/dbraw/zinc/88/07/98/398880798.db2.gz QJPCUUPMSUWLPJ-CYBMUJFWSA-N 1 0 307.394 2.566 20 5 DFBDRO COc1cc(C[NH2+]CCCOC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000594974473 398884748 /nfs/dbraw/zinc/88/47/48/398884748.db2.gz MCVYDTKBIHDZOP-UHFFFAOYSA-N 1 0 312.366 2.604 20 5 DFBDRO COc1ccccc1[C@H](CNc1ccc([N+](=O)[O-])cn1)[NH+](C)C ZINC000139089040 398882049 /nfs/dbraw/zinc/88/20/49/398882049.db2.gz CGQUNDDFNUXSLG-AWEZNQCLSA-N 1 0 316.361 2.713 20 5 DFBDRO CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000594964680 398883415 /nfs/dbraw/zinc/88/34/15/398883415.db2.gz LYKIAMKCRCQGHZ-XYPHTWIQSA-N 1 0 322.405 2.559 20 5 DFBDRO Cn1cc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000594984778 398886552 /nfs/dbraw/zinc/88/65/52/398886552.db2.gz OEJDVZMCXGIVCE-QLPKVWCKSA-N 1 0 312.373 2.883 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594985892 398886835 /nfs/dbraw/zinc/88/68/35/398886835.db2.gz CGHPWEXTDNUAGK-GECXOHMQSA-N 1 0 302.374 2.891 20 5 DFBDRO Cc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)cc1[N+](=O)[O-] ZINC000594997487 398888585 /nfs/dbraw/zinc/88/85/85/398888585.db2.gz XEJWLFDMJBVFAS-QGZVFWFLSA-N 1 0 322.405 2.561 20 5 DFBDRO COc1cc(C[NH2+]C[C@H](OC)C2CCCC2)c([N+](=O)[O-])cc1O ZINC000594995046 398888770 /nfs/dbraw/zinc/88/87/70/398888770.db2.gz OENUHCMWPGDKTG-INIZCTEOSA-N 1 0 324.377 2.604 20 5 DFBDRO CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595004459 398890109 /nfs/dbraw/zinc/89/01/09/398890109.db2.gz ADXUQCFSYNWORF-RYUDHWBXSA-N 1 0 323.393 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOCC(F)(F)F ZINC000595005089 398890134 /nfs/dbraw/zinc/89/01/34/398890134.db2.gz CNHUTTLPBLHHRV-SECBINFHSA-N 1 0 322.283 2.833 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCc1c[nH]nc1C ZINC000595005609 398890196 /nfs/dbraw/zinc/89/01/96/398890196.db2.gz BMBMKBBOXBEXNQ-LBPRGKRZSA-N 1 0 318.377 2.918 20 5 DFBDRO CC(C)[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000140523176 398891372 /nfs/dbraw/zinc/89/13/72/398891372.db2.gz PAEUEUUUWYPUMN-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000595012857 398891660 /nfs/dbraw/zinc/89/16/60/398891660.db2.gz PIXJLUKBNKNVOM-NEPJUHHUSA-N 1 0 307.394 2.737 20 5 DFBDRO O=C(NCCC1=CC[NH2+]CC1)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598913227 398892118 /nfs/dbraw/zinc/89/21/18/398892118.db2.gz FTVXXWYYVLDZFT-UHFFFAOYSA-N 1 0 324.768 2.680 20 5 DFBDRO C[C@@H]1CC2(CN1C(=O)Nc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000598913501 398892265 /nfs/dbraw/zinc/89/22/65/398892265.db2.gz JKBWRQJITCQNTJ-GFCCVEGCSA-N 1 0 318.377 2.591 20 5 DFBDRO C[C@@H](CSCCF)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000595018702 398892661 /nfs/dbraw/zinc/89/26/61/398892661.db2.gz DYZNXVRJNKMXOH-NSHDSACASA-N 1 0 302.371 2.654 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000598915202 398892875 /nfs/dbraw/zinc/89/28/75/398892875.db2.gz KKIMKMAJZNMMHT-ULKQDVFKSA-N 1 0 324.768 2.653 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1Cl)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000598915452 398892976 /nfs/dbraw/zinc/89/29/76/398892976.db2.gz MATMXNMMKJOILT-LLVKDONJSA-N 1 0 324.768 2.606 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000141177956 398894265 /nfs/dbraw/zinc/89/42/65/398894265.db2.gz OSDXVLUULCPVEP-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1nccnc1C ZINC000595037543 398895538 /nfs/dbraw/zinc/89/55/38/398895538.db2.gz HGAHNXIZLXAKLD-LLVKDONJSA-N 1 0 316.361 2.595 20 5 DFBDRO COC[C@H](CC1CCOCC1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000595035956 398895677 /nfs/dbraw/zinc/89/56/77/398895677.db2.gz NWVRJHOIAIUYEP-INIZCTEOSA-N 1 0 322.405 2.559 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000186182354 199925062 /nfs/dbraw/zinc/92/50/62/199925062.db2.gz RAWFCSQZADFNGH-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[N@H+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595045196 398897369 /nfs/dbraw/zinc/89/73/69/398897369.db2.gz YGWVJUXCKNXGPT-GFCCVEGCSA-N 1 0 307.394 2.738 20 5 DFBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000595065699 398901417 /nfs/dbraw/zinc/90/14/17/398901417.db2.gz JWFARWARWRDJRB-LRDDRELGSA-N 1 0 308.378 2.687 20 5 DFBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1(CO)CC1 ZINC000595067999 398902182 /nfs/dbraw/zinc/90/21/82/398902182.db2.gz MRVGBAZJOBIASA-WFASDCNBSA-N 1 0 304.390 2.667 20 5 DFBDRO Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595077590 398902786 /nfs/dbraw/zinc/90/27/86/398902786.db2.gz OJPCWPSSVLGRIT-OAHLLOKOSA-N 1 0 312.373 2.983 20 5 DFBDRO COc1cc(C[NH2+]CC[C@H]2CCCOC2)c([N+](=O)[O-])cc1OC ZINC000598985831 398903518 /nfs/dbraw/zinc/90/35/18/398903518.db2.gz ZWGOAIOJZRHNAR-GFCCVEGCSA-N 1 0 324.377 2.518 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000470204608 299293046 /nfs/dbraw/zinc/29/30/46/299293046.db2.gz AMYSNKNCUXGEPC-SUILRRHFSA-N 1 0 302.374 2.701 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595095308 398904506 /nfs/dbraw/zinc/90/45/06/398904506.db2.gz IHYYQJDEVKUTKH-CHWSQXEVSA-N 1 0 307.394 2.738 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]CC3COC3)o2)c([N+](=O)[O-])c1 ZINC000599013284 398907371 /nfs/dbraw/zinc/90/73/71/398907371.db2.gz ZBOMUISGUAGIQZ-UHFFFAOYSA-N 1 0 318.329 2.599 20 5 DFBDRO C[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000187248460 200083214 /nfs/dbraw/zinc/08/32/14/200083214.db2.gz CKDCWFNBQHWYHO-ABAIWWIYSA-N 1 0 317.345 2.609 20 5 DFBDRO C[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)[C@H](c1ccccc1)[NH+](C)C ZINC000187248478 200083591 /nfs/dbraw/zinc/08/35/91/200083591.db2.gz CKDCWFNBQHWYHO-XHDPSFHLSA-N 1 0 317.345 2.609 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc2cnccc2c1[N+](=O)[O-])C1CC1 ZINC000599037797 398911170 /nfs/dbraw/zinc/91/11/70/398911170.db2.gz DSHBGHFPDFITRL-HNNXBMFYSA-N 1 0 300.362 2.895 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000595225847 398911499 /nfs/dbraw/zinc/91/14/99/398911499.db2.gz OYDQVRVSPIYKGS-WCQYABFASA-N 1 0 323.418 2.651 20 5 DFBDRO CCC[C@@H]([NH2+]Cc1cnnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000599060283 398915209 /nfs/dbraw/zinc/91/52/09/398915209.db2.gz GBGUECOOPMHOKN-OAHLLOKOSA-N 1 0 303.366 2.837 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000237568237 202286330 /nfs/dbraw/zinc/28/63/30/202286330.db2.gz SYJZDPYMLMVEBR-HNNXBMFYSA-N 1 0 305.378 2.541 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599088684 398919440 /nfs/dbraw/zinc/91/94/40/398919440.db2.gz KAJXWOULXFZKGF-LLVKDONJSA-N 1 0 301.337 2.751 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN(C)CC(F)F)cc1[N+](=O)[O-] ZINC000599088686 398919548 /nfs/dbraw/zinc/91/95/48/398919548.db2.gz KAJXWOULXFZKGF-NSHDSACASA-N 1 0 301.337 2.751 20 5 DFBDRO C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000188247352 200215344 /nfs/dbraw/zinc/21/53/44/200215344.db2.gz GZNCXEGRDFTYHO-NVXWUHKLSA-N 1 0 314.389 2.891 20 5 DFBDRO C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)C1 ZINC000188247271 200215735 /nfs/dbraw/zinc/21/57/35/200215735.db2.gz GZNCXEGRDFTYHO-RDJZCZTQSA-N 1 0 314.389 2.891 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000237664613 202322204 /nfs/dbraw/zinc/32/22/04/202322204.db2.gz OHKCDZOSCROPAC-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO COc1ccc([C@H]2CC[N@H+](Cc3onc(C)c3[N+](=O)[O-])C2)cc1 ZINC000595308003 398920439 /nfs/dbraw/zinc/92/04/39/398920439.db2.gz YRBHZQXAMSBPOW-ZDUSSCGKSA-N 1 0 317.345 2.889 20 5 DFBDRO Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1[N+](=O)[O-] ZINC000237700417 202331578 /nfs/dbraw/zinc/33/15/78/202331578.db2.gz RPFALIQCXYATDI-UBHSHLNASA-N 1 0 303.362 2.762 20 5 DFBDRO Cc1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000237847999 202369768 /nfs/dbraw/zinc/36/97/68/202369768.db2.gz PAUVVANFTPNJDV-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[N@H+]1CC=CCC1 ZINC000281146953 216110987 /nfs/dbraw/zinc/11/09/87/216110987.db2.gz WASPVPUMWTZJLV-UHFFFAOYSA-N 1 0 318.377 2.595 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000188756156 200299358 /nfs/dbraw/zinc/29/93/58/200299358.db2.gz IUWYTKJZZREBIP-SNVBAGLBSA-N 1 0 318.320 2.926 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCOCC(F)F)cc1[N+](=O)[O-] ZINC000188756174 200299774 /nfs/dbraw/zinc/29/97/74/200299774.db2.gz IUWYTKJZZREBIP-JTQLQIEISA-N 1 0 318.320 2.926 20 5 DFBDRO Cc1cccc(C[C@H](CO)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000189012727 200335946 /nfs/dbraw/zinc/33/59/46/200335946.db2.gz GIIMHVQNKFGNCL-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO Cn1nccc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417308939 296008858 /nfs/dbraw/zinc/00/88/58/296008858.db2.gz FZQYRPHXYWBJBD-MRXNPFEDSA-N 1 0 300.362 2.886 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CCSC1)CCCC2 ZINC000417314600 296009371 /nfs/dbraw/zinc/00/93/71/296009371.db2.gz RLWZTVPOKHENLR-JKSUJKDBSA-N 1 0 322.430 2.820 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000595389246 398930557 /nfs/dbraw/zinc/93/05/57/398930557.db2.gz NZZBQZHYJUOWHM-ZDUSSCGKSA-N 1 0 308.353 2.982 20 5 DFBDRO Cc1cccc(N2CCC(C)([NH+]3CCOCC3)CC2)c1[N+](=O)[O-] ZINC000599160589 398931845 /nfs/dbraw/zinc/93/18/45/398931845.db2.gz NEWJGHVDUVYKED-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)[C@@H]1CCOC1 ZINC000595403831 398932860 /nfs/dbraw/zinc/93/28/60/398932860.db2.gz JKAVUFGFEVEIKB-PBHICJAKSA-N 1 0 320.389 2.611 20 5 DFBDRO C[C@H](C[S@](C)=O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342987 296011900 /nfs/dbraw/zinc/01/19/00/296011900.db2.gz NPDLBISHEFFQDS-JSKPFOEOSA-N 1 0 310.419 2.719 20 5 DFBDRO Cn1cncc1C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417349338 296012685 /nfs/dbraw/zinc/01/26/85/296012685.db2.gz KWRMZUXLKHLHIC-MRXNPFEDSA-N 1 0 300.362 2.886 20 5 DFBDRO CC[C@@H]1CN(c2nccc3c2cccc3[N+](=O)[O-])C[C@H](C)[NH2+]1 ZINC000599180792 398935674 /nfs/dbraw/zinc/93/56/74/398935674.db2.gz ZEMCNAZZCFQHNY-NWDGAFQWSA-N 1 0 300.362 2.720 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCN(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000417362640 296013935 /nfs/dbraw/zinc/01/39/35/296013935.db2.gz AIIWBUQHCDAGQC-VXGBXAGGSA-N 1 0 313.348 2.893 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC12CC2 ZINC000417367586 296014158 /nfs/dbraw/zinc/01/41/58/296014158.db2.gz PWZSBLNWUKRUNC-VXGBXAGGSA-N 1 0 303.362 2.702 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000595481608 398947705 /nfs/dbraw/zinc/94/77/05/398947705.db2.gz IEWBBHVEWNENEL-RYUDHWBXSA-N 1 0 324.274 2.771 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@@H]21 ZINC000261937097 283579467 /nfs/dbraw/zinc/57/94/67/283579467.db2.gz UBXUTFZTJVWIAJ-VHDGCEQUSA-N 1 0 312.373 2.707 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000272020983 209391836 /nfs/dbraw/zinc/39/18/36/209391836.db2.gz LIGVXNVHMNAJTI-SMDDNHRTSA-N 1 0 312.391 2.868 20 5 DFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H](O)Cc1ccccc1 ZINC000595503319 398951957 /nfs/dbraw/zinc/95/19/57/398951957.db2.gz RJCLTMALPSJHFV-INIZCTEOSA-N 1 0 318.348 2.769 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(c2ncc([N+](=O)[O-])cc2Cl)C1 ZINC000078562970 398967037 /nfs/dbraw/zinc/96/70/37/398967037.db2.gz DRWYYQDBPHKKRF-LLVKDONJSA-N 1 0 312.801 2.811 20 5 DFBDRO COc1cc(C[NH+]2CCC3(CCOC3)CC2)c([N+](=O)[O-])cc1F ZINC000613383070 398967992 /nfs/dbraw/zinc/96/79/92/398967992.db2.gz GXZMLCUASRVUHF-UHFFFAOYSA-N 1 0 324.352 2.745 20 5 DFBDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000613389242 398968989 /nfs/dbraw/zinc/96/89/89/398968989.db2.gz FTKGHFANIFTYNU-KBXCAEBGSA-N 1 0 314.385 2.892 20 5 DFBDRO COCCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447529924 297306983 /nfs/dbraw/zinc/30/69/83/297306983.db2.gz NCTXRBQPLAXYDU-KBPBESRZSA-N 1 0 310.398 2.681 20 5 DFBDRO CCOC(=O)CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595561641 398972741 /nfs/dbraw/zinc/97/27/41/398972741.db2.gz KJVXLDOBXPCNQH-UHFFFAOYSA-N 1 0 312.341 2.898 20 5 DFBDRO Cc1cnc(N2CCCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000078660911 398977884 /nfs/dbraw/zinc/97/78/84/398977884.db2.gz FXGUIVDKCPUPJE-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000193884058 201139071 /nfs/dbraw/zinc/13/90/71/201139071.db2.gz HBLRHZORLLROKQ-FPMFFAJLSA-N 1 0 306.362 2.896 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000078801291 398989047 /nfs/dbraw/zinc/98/90/47/398989047.db2.gz UMDLYRZUKCKWHZ-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO CC[C@@H](C)[N@H+](CC)CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595597819 398990292 /nfs/dbraw/zinc/99/02/92/398990292.db2.gz AEECMTPBNYZDKJ-GFCCVEGCSA-N 1 0 305.378 2.604 20 5 DFBDRO Cc1c(NC(=O)C2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000195308365 201377327 /nfs/dbraw/zinc/37/73/27/201377327.db2.gz QHOVMNSYKSKFDJ-UHFFFAOYSA-N 1 0 303.362 2.716 20 5 DFBDRO COc1ccc(C[NH2+]CC2([C@@H](C)CCO)CCC2)cc1[N+](=O)[O-] ZINC000271840727 209260248 /nfs/dbraw/zinc/26/02/48/209260248.db2.gz QQXVOXAQZURQKD-ZDUSSCGKSA-N 1 0 322.405 2.882 20 5 DFBDRO C/C=C\C[NH2+]Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-] ZINC000600205731 399004122 /nfs/dbraw/zinc/00/41/22/399004122.db2.gz SEUORJMUJHCVMS-ARJAWSKDSA-N 1 0 316.304 2.913 20 5 DFBDRO CCOc1cc(N2CC[NH+](C[C@@H]3C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000475485929 299348267 /nfs/dbraw/zinc/34/82/67/299348267.db2.gz JNXGMBICLSCJRS-KBPBESRZSA-N 1 0 319.405 2.772 20 5 DFBDRO Cc1cccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000275442371 212333791 /nfs/dbraw/zinc/33/37/91/212333791.db2.gz KKEPDYRCNRKNEM-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1(C)COC1 ZINC000599571732 399017985 /nfs/dbraw/zinc/01/79/85/399017985.db2.gz STODRMDTQQAGDV-UHFFFAOYSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599604602 399028598 /nfs/dbraw/zinc/02/85/98/399028598.db2.gz PJWMLMQDHVBTGU-AWEZNQCLSA-N 1 0 318.377 2.618 20 5 DFBDRO CCN(CC[NH3+])C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000599603710 399027278 /nfs/dbraw/zinc/02/72/78/399027278.db2.gz HSELXKSWHYJXFO-UHFFFAOYSA-N 1 0 308.382 2.705 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)C1 ZINC000255031834 283844288 /nfs/dbraw/zinc/84/42/88/283844288.db2.gz DLDWCWXTNDDETN-BJIFSAINSA-N 1 0 317.389 2.551 20 5 DFBDRO CCOc1cc(C[N@H+]2C[C@]3(C)COC[C@]3(C)C2)ccc1[N+](=O)[O-] ZINC000595688478 399035543 /nfs/dbraw/zinc/03/55/43/399035543.db2.gz HTPSIPNEUYMWAM-CALCHBBNSA-N 1 0 320.389 2.852 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599632541 399035893 /nfs/dbraw/zinc/03/58/93/399035893.db2.gz YLLXJCZVUPTWML-AYMFLGRJSA-N 1 0 308.403 2.641 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000595764492 399075424 /nfs/dbraw/zinc/07/54/24/399075424.db2.gz CECSCXOLKNAQCK-GFCCVEGCSA-N 1 0 311.769 2.965 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000249276935 202794683 /nfs/dbraw/zinc/79/46/83/202794683.db2.gz LIFUZEWXAJCCRD-WWGRRREGSA-N 1 0 319.405 2.972 20 5 DFBDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000479564090 299379914 /nfs/dbraw/zinc/37/99/14/299379914.db2.gz OMONQVTUQQRCKO-LLVKDONJSA-N 1 0 323.368 2.536 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000330518436 284055116 /nfs/dbraw/zinc/05/51/16/284055116.db2.gz YBSYRVLCANGOHE-BBRMVZONSA-N 1 0 321.421 2.764 20 5 DFBDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(Cl)c1[N+](=O)[O-] ZINC000267346616 284062203 /nfs/dbraw/zinc/06/22/03/284062203.db2.gz LBEAUKVAQIQMFQ-CHWSQXEVSA-N 1 0 323.780 2.605 20 5 DFBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1 ZINC000419011065 296124183 /nfs/dbraw/zinc/12/41/83/296124183.db2.gz RMLJXRZGPDUQKH-UHFFFAOYSA-N 1 0 304.272 2.515 20 5 DFBDRO CO[C@H](CC(C)C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225091 296128651 /nfs/dbraw/zinc/12/86/51/296128651.db2.gz OQIVYBVDJQSBFT-DZGCQCFKSA-N 1 0 322.409 2.537 20 5 DFBDRO CO[C@@H](CC(C)C)C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000419225094 296128873 /nfs/dbraw/zinc/12/88/73/296128873.db2.gz OQIVYBVDJQSBFT-ZFWWWQNUSA-N 1 0 322.409 2.537 20 5 DFBDRO C[C@@H](CNC(=O)c1csc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000058891401 399100285 /nfs/dbraw/zinc/10/02/85/399100285.db2.gz NORTUDTZYICMIB-QWRGUYRKSA-N 1 0 311.407 2.507 20 5 DFBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000595830180 399101980 /nfs/dbraw/zinc/10/19/80/399101980.db2.gz CZCSEPNFIFDGAD-UONOGXRCSA-N 1 0 317.389 2.600 20 5 DFBDRO CC(C)CC1([NH2+][C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1 ZINC000595832272 399104474 /nfs/dbraw/zinc/10/44/74/399104474.db2.gz VWQPVFLNWQOAAQ-HNNXBMFYSA-N 1 0 317.389 2.868 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419338923 296135879 /nfs/dbraw/zinc/13/58/79/296135879.db2.gz CMFXCPWGGREJDP-SRVKXCTJSA-N 1 0 321.377 2.518 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C3CCC3)C2)c([N+](=O)[O-])c1 ZINC000595833738 399105856 /nfs/dbraw/zinc/10/58/56/399105856.db2.gz LNDLSIKRIBTOGT-AWEZNQCLSA-N 1 0 317.389 2.706 20 5 DFBDRO CC[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000261870503 203139433 /nfs/dbraw/zinc/13/94/33/203139433.db2.gz QLYSOWBPBULATO-WFASDCNBSA-N 1 0 305.378 2.552 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000419338920 296135995 /nfs/dbraw/zinc/13/59/95/296135995.db2.gz CMFXCPWGGREJDP-SDDRHHMPSA-N 1 0 321.377 2.518 20 5 DFBDRO C[C@@H]1C[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)[C@@H](C)[C@H]1C ZINC000419375463 296137748 /nfs/dbraw/zinc/13/77/48/296137748.db2.gz RNFLXUDVJXLQJT-LMOYCYGVSA-N 1 0 317.389 2.676 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419380424 296138155 /nfs/dbraw/zinc/13/81/55/296138155.db2.gz XKJOHRNBAFPMAR-MROQNXINSA-N 1 0 305.378 2.898 20 5 DFBDRO CC(C)NC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000595849052 399112583 /nfs/dbraw/zinc/11/25/83/399112583.db2.gz DWSRUBUPEYSROP-KBPBESRZSA-N 1 0 319.405 2.892 20 5 DFBDRO C[C@H]1CCC[C@](CNC(=O)c2ccc([N+](=O)[O-])cc2)([NH+](C)C)C1 ZINC000059890491 399113514 /nfs/dbraw/zinc/11/35/14/399113514.db2.gz SFECDMOWCJMKGI-GUYCJALGSA-N 1 0 319.405 2.835 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000595874419 399118595 /nfs/dbraw/zinc/11/85/95/399118595.db2.gz OMTLANRZFNRVCJ-CXAGYDPISA-N 1 0 322.405 2.832 20 5 DFBDRO C[C@@H]1CC[C@@H](N[C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C[NH2+]1 ZINC000600708826 399120669 /nfs/dbraw/zinc/12/06/69/399120669.db2.gz GPDZCQOVHCHBLA-WQVCFCJDSA-N 1 0 303.406 2.646 20 5 DFBDRO C[C@H](O)CC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000093481303 193257990 /nfs/dbraw/zinc/25/79/90/193257990.db2.gz SMNSFHPGQWDIOT-VIFPVBQESA-N 1 0 317.183 2.560 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](C[C@H]3CC=CCC3)C2)nc1 ZINC000093534276 193266650 /nfs/dbraw/zinc/26/66/50/193266650.db2.gz FBZBIPSEDVBWSV-KBPBESRZSA-N 1 0 302.378 2.832 20 5 DFBDRO [NH3+]C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600725616 399125351 /nfs/dbraw/zinc/12/53/51/399125351.db2.gz JUUGXYRANCHKMD-ZJUUUORDSA-N 1 0 323.340 2.615 20 5 DFBDRO Cc1cc(N2CCC([NH3+])CC2)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420108924 296158800 /nfs/dbraw/zinc/15/88/00/296158800.db2.gz CYTXWMUHQITNSQ-UHFFFAOYSA-N 1 0 303.284 2.850 20 5 DFBDRO COC(=O)c1cc(NCC2([NH3+])CCCCC2)cc(C)c1[N+](=O)[O-] ZINC000420129905 296159279 /nfs/dbraw/zinc/15/92/79/296159279.db2.gz VJCREJDEWYOWAA-UHFFFAOYSA-N 1 0 321.377 2.763 20 5 DFBDRO CC(C)C[C@H](C[NH3+])Nc1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000420184786 296161001 /nfs/dbraw/zinc/16/10/01/296161001.db2.gz JVFPYYLNKDERCM-SNVBAGLBSA-N 1 0 303.309 2.982 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1OC ZINC000274902089 212022108 /nfs/dbraw/zinc/02/21/08/212022108.db2.gz HHZGMSCAMODCPG-YUTCNCBUSA-N 1 0 314.769 2.530 20 5 DFBDRO C[C@@H](C[NH3+])N(C)c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420184783 296161104 /nfs/dbraw/zinc/16/11/04/296161104.db2.gz JUMHQGWFHYVHRP-JTQLQIEISA-N 1 0 304.325 2.579 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CC[NH2+]C2)c(OC(F)F)c1 ZINC000420186978 296161163 /nfs/dbraw/zinc/16/11/63/296161163.db2.gz LLTOUFNLXQNTKL-VIFPVBQESA-N 1 0 301.293 2.608 20 5 DFBDRO O=C(NCCC[NH+]1CCCCCC1)c1ccc([N+](=O)[O-])s1 ZINC000060635070 399141272 /nfs/dbraw/zinc/14/12/72/399141272.db2.gz DEVBTLQWVGGWJQ-UHFFFAOYSA-N 1 0 311.407 2.652 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420208104 296162411 /nfs/dbraw/zinc/16/24/11/296162411.db2.gz ATUYWQZNXXWJNO-MRXNPFEDSA-N 1 0 317.389 2.766 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420208101 296162416 /nfs/dbraw/zinc/16/24/16/296162416.db2.gz ATUYWQZNXXWJNO-INIZCTEOSA-N 1 0 317.389 2.766 20 5 DFBDRO CC[NH2+]CC1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000420207359 296162489 /nfs/dbraw/zinc/16/24/89/296162489.db2.gz KXSAQHUXDZHSPK-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N(C)CC(C)(C)C[NH3+] ZINC000420197746 296161724 /nfs/dbraw/zinc/16/17/24/296161724.db2.gz BSJHIOPYROEIEM-UHFFFAOYSA-N 1 0 318.377 2.573 20 5 DFBDRO CCCN(c1nc2ccccc2cc1[N+](=O)[O-])[C@H]1CC[NH2+]C1 ZINC000420217804 296163049 /nfs/dbraw/zinc/16/30/49/296163049.db2.gz NEMSEMBOPSSPIB-ZDUSSCGKSA-N 1 0 300.362 2.721 20 5 DFBDRO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1ncc([N+](=O)[O-])cc1Cl ZINC000420218309 296163167 /nfs/dbraw/zinc/16/31/67/296163167.db2.gz MJCIDDFHOYFROR-HMKSTLMESA-N 1 0 310.785 2.961 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000595980698 399143873 /nfs/dbraw/zinc/14/38/73/399143873.db2.gz JDKDHBVOJCRJEG-CYBMUJFWSA-N 1 0 307.394 2.623 20 5 DFBDRO C[NH2+]CCC1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)CC1 ZINC000420225582 296163561 /nfs/dbraw/zinc/16/35/61/296163561.db2.gz JPIJVUDTXKOHGZ-UHFFFAOYSA-N 1 0 305.378 2.623 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000420235130 296164353 /nfs/dbraw/zinc/16/43/53/296164353.db2.gz OHAWRBGERBYSCL-CQSZACIVSA-N 1 0 300.362 2.721 20 5 DFBDRO Cc1cc(N[C@H]2C[NH2+]CC[C@@H]2C)c2cccc([N+](=O)[O-])c2n1 ZINC000420246419 296165346 /nfs/dbraw/zinc/16/53/46/296165346.db2.gz STAWULUCOWSZGK-HZMBPMFUSA-N 1 0 300.362 2.861 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)nc1-c1ccccc1 ZINC000420253540 296165823 /nfs/dbraw/zinc/16/58/23/296165823.db2.gz DWHKPLZTDKVZOU-CABCVRRESA-N 1 0 324.384 2.703 20 5 DFBDRO C[C@H]1[C@@H]([NH3+])CCN1c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420253640 296165935 /nfs/dbraw/zinc/16/59/35/296165935.db2.gz QDAKQCSXVUWGKU-CABZTGNLSA-N 1 0 304.375 2.644 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc([N+](=O)[O-])c1 ZINC000264577117 204006077 /nfs/dbraw/zinc/00/60/77/204006077.db2.gz ISXCDZSNCYMTFX-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000264595766 204017265 /nfs/dbraw/zinc/01/72/65/204017265.db2.gz MIEXIUOXYULGPO-GFCCVEGCSA-N 1 0 323.418 2.665 20 5 DFBDRO CCCOC[C@@H]([NH3+])Cc1cccc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000600789384 399146833 /nfs/dbraw/zinc/14/68/33/399146833.db2.gz RUKOLPIWFBDHIP-INIZCTEOSA-N 1 0 315.373 2.953 20 5 DFBDRO CCC(=O)c1ccc(N[C@@H](CC[NH3+])C(F)F)c([N+](=O)[O-])c1 ZINC000420259332 296166628 /nfs/dbraw/zinc/16/66/28/296166628.db2.gz HLYJAJGTWUQSRL-JTQLQIEISA-N 1 0 301.293 2.582 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000264635825 204044402 /nfs/dbraw/zinc/04/44/02/204044402.db2.gz WGPFNDKRQNOQLZ-CHWSQXEVSA-N 1 0 318.295 2.791 20 5 DFBDRO Cc1ccc(-c2cccc(C[C@H](C[NH3+])CO)c2)cc1[N+](=O)[O-] ZINC000600792472 399149012 /nfs/dbraw/zinc/14/90/12/399149012.db2.gz YJRHBACVYBQKHH-CQSZACIVSA-N 1 0 300.358 2.680 20 5 DFBDRO [NH3+]CC1(c2cccc(-c3cc([N+](=O)[O-])ccc3CCO)c2)CC1 ZINC000600793403 399149075 /nfs/dbraw/zinc/14/90/75/399149075.db2.gz ODTQOSGMJCLCOT-UHFFFAOYSA-N 1 0 312.369 2.787 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CC[C@H]([NH+]3CCCCC3)C2)c1 ZINC000264661085 204061046 /nfs/dbraw/zinc/06/10/46/204061046.db2.gz YVBKVRWWYSJDPO-INIZCTEOSA-N 1 0 319.405 2.534 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](CNc2c3ccccc3ncc2[N+](=O)[O-])CC1 ZINC000420258408 296166533 /nfs/dbraw/zinc/16/65/33/296166533.db2.gz KZIANBCWWQTGJY-JOCQHMNTSA-N 1 0 314.389 2.742 20 5 DFBDRO COc1cc(N2CCC([C@H]3CC[NH2+]C3)CC2)c(F)cc1[N+](=O)[O-] ZINC000420271216 296167863 /nfs/dbraw/zinc/16/78/63/296167863.db2.gz ZXLIYFKNHZFWBM-LBPRGKRZSA-N 1 0 323.368 2.568 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H](CNc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000420271379 296167969 /nfs/dbraw/zinc/16/79/69/296167969.db2.gz COKGDQPXXSXIKJ-DTWKUNHWSA-N 1 0 307.379 2.529 20 5 DFBDRO CC1(C)CN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC[NH2+]1 ZINC000420274845 296168176 /nfs/dbraw/zinc/16/81/76/296168176.db2.gz KJEWWQVCBHSQAZ-UHFFFAOYSA-N 1 0 318.402 2.907 20 5 DFBDRO Cc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)c([N+](=O)[O-])cc1C(F)(F)F ZINC000596032504 399152169 /nfs/dbraw/zinc/15/21/69/399152169.db2.gz MPDUDLPDWDUQBW-NXEZZACHSA-N 1 0 321.274 2.798 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420280936 296168960 /nfs/dbraw/zinc/16/89/60/296168960.db2.gz VHWDCAVOZCLYMI-UONOGXRCSA-N 1 0 317.389 2.623 20 5 DFBDRO O=[N+]([O-])c1ccccc1CNC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596058386 399157781 /nfs/dbraw/zinc/15/77/81/399157781.db2.gz GOFIMBKEKBJBRJ-HNNXBMFYSA-N 1 0 303.406 2.806 20 5 DFBDRO O=c1[nH]ccc(NC[C@H](c2ccco2)[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000596054632 399156886 /nfs/dbraw/zinc/15/68/86/399156886.db2.gz NILJLUSMLXBNJO-GFCCVEGCSA-N 1 0 318.333 2.537 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000264926953 204275777 /nfs/dbraw/zinc/27/57/77/204275777.db2.gz RIHNRRSUOADXQG-UHFFFAOYSA-N 1 0 311.357 2.586 20 5 DFBDRO CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000618574882 399164916 /nfs/dbraw/zinc/16/49/16/399164916.db2.gz OAMVULSSIGCLRO-HOTGVXAUSA-N 1 0 319.405 2.723 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000080612664 399164140 /nfs/dbraw/zinc/16/41/40/399164140.db2.gz RPCLCJRQCBNENV-UHFFFAOYSA-N 1 0 319.405 2.960 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420343898 296177749 /nfs/dbraw/zinc/17/77/49/296177749.db2.gz SAKBNLQQNFSPTI-BBRMVZONSA-N 1 0 321.421 2.941 20 5 DFBDRO Cc1sc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000080718202 399173632 /nfs/dbraw/zinc/17/36/32/399173632.db2.gz ZRPOMPQYYGFEGK-YOGCLGLASA-N 1 0 323.418 2.710 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420376978 296182836 /nfs/dbraw/zinc/18/28/36/296182836.db2.gz VRPLPPQEEDXQEG-PBFPGSCMSA-N 1 0 321.421 2.858 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1O ZINC000282650398 217152617 /nfs/dbraw/zinc/15/26/17/217152617.db2.gz CIFNWUVZOXBEDR-DOMZBBRYSA-N 1 0 310.369 2.963 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420402725 296186492 /nfs/dbraw/zinc/18/64/92/296186492.db2.gz KJVZSLZVCJWPLV-QGZVFWFLSA-N 1 0 315.348 2.880 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2 ZINC000342479301 284342437 /nfs/dbraw/zinc/34/24/37/284342437.db2.gz LJSWATNSIFXKFH-JISDDCRVSA-N 1 0 318.421 2.986 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1nccc2cc([N+](=O)[O-])ccc21 ZINC000600948098 399184018 /nfs/dbraw/zinc/18/40/18/399184018.db2.gz QKIKRZXLWHZEMP-HNNXBMFYSA-N 1 0 300.362 2.577 20 5 DFBDRO CC(C)[C@@H]1C[NH2+]CCN1c1ccc2ncccc2c1[N+](=O)[O-] ZINC000600946370 399184234 /nfs/dbraw/zinc/18/42/34/399184234.db2.gz FHWUZPGSZGGMAK-HNNXBMFYSA-N 1 0 300.362 2.577 20 5 DFBDRO C[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[NH2+]1 ZINC000600956055 399186589 /nfs/dbraw/zinc/18/65/89/399186589.db2.gz VLZIMZVIERNBSN-RKDXNWHRSA-N 1 0 301.293 2.749 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000600960299 399188347 /nfs/dbraw/zinc/18/83/47/399188347.db2.gz CMHACYRDAPNZGC-BDAKNGLRSA-N 1 0 303.284 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C(F)(F)F ZINC000600962194 399188682 /nfs/dbraw/zinc/18/86/82/399188682.db2.gz AQAMKZGAWKRPBE-DTORHVGOSA-N 1 0 301.268 2.554 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C[C@H]1C[NH3+] ZINC000600962200 399188710 /nfs/dbraw/zinc/18/87/10/399188710.db2.gz WHDAEDLBKAAGIU-TZMCWYRMSA-N 1 0 312.373 2.688 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000288326350 220085624 /nfs/dbraw/zinc/08/56/24/220085624.db2.gz JEZOQIWJUYWMHV-VHSXEESVSA-N 1 0 321.406 2.884 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000063615531 399198378 /nfs/dbraw/zinc/19/83/78/399198378.db2.gz MCDHYNXIWVCWPG-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ncc([N+](=O)[O-])cc2Cl)[C@@H](C)C1 ZINC000266286681 205239290 /nfs/dbraw/zinc/23/92/90/205239290.db2.gz VSZPCFPQGRQSNQ-GXFFZTMASA-N 1 0 312.801 2.810 20 5 DFBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1 ZINC000063618759 399197631 /nfs/dbraw/zinc/19/76/31/399197631.db2.gz NIJMSWNKUOEHEW-HNNXBMFYSA-N 1 0 305.378 2.678 20 5 DFBDRO CC(C)[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000063618862 399198095 /nfs/dbraw/zinc/19/80/95/399198095.db2.gz PAEUEUUUWYPUMN-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO CN(C[C@H]1CCC[N@@H+]1C)c1nccc2ccc([N+](=O)[O-])cc21 ZINC000420631536 296194235 /nfs/dbraw/zinc/19/42/35/296194235.db2.gz GUKRRHGRFAZKGK-CQSZACIVSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1c(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000288441902 220144239 /nfs/dbraw/zinc/14/42/39/220144239.db2.gz OXBFJMBBXYECDT-JSGCOSHPSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1cccnc1N1CC[NH+](CC2CCCCC2)CC1 ZINC000064129183 399217038 /nfs/dbraw/zinc/21/70/38/399217038.db2.gz WZFQVCVEZZDYBW-UHFFFAOYSA-N 1 0 304.394 2.692 20 5 DFBDRO C[N@H+](CCNC(=O)c1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064804741 399232787 /nfs/dbraw/zinc/23/27/87/399232787.db2.gz HUNRRWOROSEXCQ-UHFFFAOYSA-N 1 0 319.386 2.518 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCN1c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601134697 399237470 /nfs/dbraw/zinc/23/74/70/399237470.db2.gz KCJQVWJHRIOLRP-NEPJUHHUSA-N 1 0 301.346 2.883 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456466 206080450 /nfs/dbraw/zinc/08/04/50/206080450.db2.gz PMJJENGUOUJHBW-WBMJQRKESA-N 1 0 309.385 2.896 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[NH+](CC(C)C)CC1 ZINC000343010796 284456618 /nfs/dbraw/zinc/45/66/18/284456618.db2.gz XODKBNIGPKXMOK-UHFFFAOYSA-N 1 0 321.421 2.767 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](O)C(F)F ZINC000601147451 399240881 /nfs/dbraw/zinc/24/08/81/399240881.db2.gz NXKKTSBKTNMRBA-RSPDNQDQSA-N 1 0 300.305 2.604 20 5 DFBDRO C[N@H+](CCOc1ccccc1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208562 399239032 /nfs/dbraw/zinc/23/90/32/399239032.db2.gz KIFPSHFIBUVSLB-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO Cc1sccc1C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC000601149637 399241842 /nfs/dbraw/zinc/24/18/42/399241842.db2.gz PESAAHZQUAGOKQ-OAHLLOKOSA-N 1 0 306.387 2.962 20 5 DFBDRO CC[N@H+](CCOc1ccccc1C)CCn1cc([N+](=O)[O-])cn1 ZINC000420969628 296219164 /nfs/dbraw/zinc/21/91/64/296219164.db2.gz CTUIORXKIJDRHT-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO C[N@@H+]1CCN(c2ncc([N+](=O)[O-])cc2C(F)(F)F)CC1(C)C ZINC000601186088 399250545 /nfs/dbraw/zinc/25/05/45/399250545.db2.gz FTWBIMBPYFKIQD-UHFFFAOYSA-N 1 0 318.299 2.539 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CCO)CC2)ccc1[N+](=O)[O-] ZINC000421008616 296224052 /nfs/dbraw/zinc/22/40/52/296224052.db2.gz DKOVGUDZTHYCPS-CQSZACIVSA-N 1 0 322.405 2.978 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421022389 296227057 /nfs/dbraw/zinc/22/70/57/296227057.db2.gz UUOPUAIYYWAJLW-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421040101 296230390 /nfs/dbraw/zinc/23/03/90/296230390.db2.gz MVSYHFDLENDZCO-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C)([NH+]2CCCC2)CC1 ZINC000601216916 399256720 /nfs/dbraw/zinc/25/67/20/399256720.db2.gz ZUMPKVDGBFLJIR-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[NH+]1CCC(n2cc(Nc3c(F)cccc3[N+](=O)[O-])cn2)CC1 ZINC000601226240 399259099 /nfs/dbraw/zinc/25/90/99/399259099.db2.gz MWGXOGZMUZRMKD-UHFFFAOYSA-N 1 0 319.340 2.941 20 5 DFBDRO CCC1([NH+](C)C)CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000601237254 399261296 /nfs/dbraw/zinc/26/12/96/399261296.db2.gz AIYWUJADSNGWHI-UHFFFAOYSA-N 1 0 320.393 2.933 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421116854 296236516 /nfs/dbraw/zinc/23/65/16/296236516.db2.gz SISDLOXZDBJZSJ-AWEZNQCLSA-N 1 0 320.393 2.715 20 5 DFBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421201829 296241168 /nfs/dbraw/zinc/24/11/68/296241168.db2.gz NZPXVQBUEYDOMO-OBJOEFQTSA-N 1 0 305.378 2.537 20 5 DFBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000421201831 296241230 /nfs/dbraw/zinc/24/12/30/296241230.db2.gz NZPXVQBUEYDOMO-YRGRVCCFSA-N 1 0 305.378 2.537 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000101632022 193829793 /nfs/dbraw/zinc/82/97/93/193829793.db2.gz FRHWHNLTQWDACV-UHFFFAOYSA-N 1 0 319.405 2.942 20 5 DFBDRO CC1(C)C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000601298226 399272656 /nfs/dbraw/zinc/27/26/56/399272656.db2.gz FJRRFKJFUDXTMD-CHWSQXEVSA-N 1 0 314.332 2.923 20 5 DFBDRO Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)o1 ZINC000601302996 399273805 /nfs/dbraw/zinc/27/38/05/399273805.db2.gz AFLUPVGCRISKGJ-KBPBESRZSA-N 1 0 304.350 2.966 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1O ZINC000601304180 399274447 /nfs/dbraw/zinc/27/44/47/399274447.db2.gz LHCOYHDMNYVPJF-OBJOEFQTSA-N 1 0 310.419 2.969 20 5 DFBDRO CS[C@@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCCC1 ZINC000614978010 399287671 /nfs/dbraw/zinc/28/76/71/399287671.db2.gz RZGIHKPMRHWFME-GHMZBOCLSA-N 1 0 313.448 2.672 20 5 DFBDRO Cc1ccc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000601566174 399301306 /nfs/dbraw/zinc/30/13/06/399301306.db2.gz HDSKDWWFAKVHLZ-CYBMUJFWSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000601564476 399301344 /nfs/dbraw/zinc/30/13/44/399301344.db2.gz AWQMZEABVRTPAM-GFCCVEGCSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000609135394 399305304 /nfs/dbraw/zinc/30/53/04/399305304.db2.gz HWMCSMMTKADAIO-CQSZACIVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc([N+](=O)[O-])c1 ZINC000609135393 399305383 /nfs/dbraw/zinc/30/53/83/399305383.db2.gz HWMCSMMTKADAIO-AWEZNQCLSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000609133563 399304580 /nfs/dbraw/zinc/30/45/80/399304580.db2.gz IIDAICIQMSKRJO-HNNXBMFYSA-N 1 0 303.362 2.716 20 5 DFBDRO Cc1cc(NCC2([NH+]3CCCC3)CCOCC2)ccc1[N+](=O)[O-] ZINC000609193036 399308299 /nfs/dbraw/zinc/30/82/99/399308299.db2.gz YSTZWFLNFWSGPJ-UHFFFAOYSA-N 1 0 319.405 2.960 20 5 DFBDRO C[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000043146182 183341424 /nfs/dbraw/zinc/34/14/24/183341424.db2.gz XYRGXMFEDXFOCX-OLZOCXBDSA-N 1 0 320.393 2.837 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([N+](=O)[O-])c(C)s1 ZINC000609833546 399332969 /nfs/dbraw/zinc/33/29/69/399332969.db2.gz MSKQTVHLKDJMCW-NSHDSACASA-N 1 0 311.407 2.569 20 5 DFBDRO CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000609839796 399333058 /nfs/dbraw/zinc/33/30/58/399333058.db2.gz SLGJQUNDHMHQRL-GFCCVEGCSA-N 1 0 306.366 2.591 20 5 DFBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000609894087 399335959 /nfs/dbraw/zinc/33/59/59/399335959.db2.gz VBJURAJXGPVEHF-LLVKDONJSA-N 1 0 311.407 2.569 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000609893919 399335882 /nfs/dbraw/zinc/33/58/82/399335882.db2.gz FAWSGBQGURRKAM-LLVKDONJSA-N 1 0 311.407 2.569 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000610111786 399342276 /nfs/dbraw/zinc/34/22/76/399342276.db2.gz DYMRGMQPSYIRMV-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1 ZINC000610239997 399349675 /nfs/dbraw/zinc/34/96/75/399349675.db2.gz UAEIRMJPZUUASW-HZPDHXFCSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@@H](CO)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000619516277 399356841 /nfs/dbraw/zinc/35/68/41/399356841.db2.gz VUOGGOFHUAYCMK-NSHDSACASA-N 1 0 319.361 2.719 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)c1 ZINC000284869882 218214496 /nfs/dbraw/zinc/21/44/96/218214496.db2.gz SLRLUSZLPMXLNA-HZPDHXFCSA-N 1 0 306.362 2.617 20 5 DFBDRO CC[NH+](CC)CCO[C@@H]1CCN(c2ccsc2[N+](=O)[O-])C1 ZINC000610469554 399370348 /nfs/dbraw/zinc/37/03/48/399370348.db2.gz MHFLPMASMMHOOS-GFCCVEGCSA-N 1 0 313.423 2.593 20 5 DFBDRO CC1(C)C[NH2+]CC[C@H](Nc2ncnc3sc([N+](=O)[O-])cc32)C1 ZINC000601984533 399374095 /nfs/dbraw/zinc/37/40/95/399374095.db2.gz SCSZGGDWMRIDOG-VIFPVBQESA-N 1 0 321.406 2.790 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nccn2C1 ZINC000615720672 399377466 /nfs/dbraw/zinc/37/74/66/399377466.db2.gz LFLPTCUSLBXMJE-UZGISAJGSA-N 1 0 312.373 2.799 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000610585362 399383587 /nfs/dbraw/zinc/38/35/87/399383587.db2.gz MFVMSEVBBFJXSS-IUODEOHRSA-N 1 0 303.362 2.716 20 5 DFBDRO CC(C)[C@H](C(=O)NCCCCc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000268518816 206770246 /nfs/dbraw/zinc/77/02/46/206770246.db2.gz UDZFVJYKNXYEHX-MRXNPFEDSA-N 1 0 321.421 2.620 20 5 DFBDRO COCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000337419345 284822863 /nfs/dbraw/zinc/82/28/63/284822863.db2.gz QKFMLLFGVPQYCL-KGLIPLIRSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000109792356 194284434 /nfs/dbraw/zinc/28/44/34/194284434.db2.gz IYQGCKOFMZWDJN-UHFFFAOYSA-N 1 0 300.362 2.671 20 5 DFBDRO CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc([N+](=O)[O-])c3cccnc23)C1 ZINC000610678630 399392063 /nfs/dbraw/zinc/39/20/63/399392063.db2.gz XPTWXEGLPRROKV-SMDDNHRTSA-N 1 0 300.362 2.895 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000610677113 399392211 /nfs/dbraw/zinc/39/22/11/399392211.db2.gz KINAPIIIXLZQQH-UHFFFAOYSA-N 1 0 314.798 2.947 20 5 DFBDRO CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C1(C[NH+](C)C)CC1 ZINC000602085798 399393122 /nfs/dbraw/zinc/39/31/22/399393122.db2.gz XGWVMRQYGRNZFL-UHFFFAOYSA-N 1 0 319.405 2.674 20 5 DFBDRO Cc1c(C(=O)N(CC[NH+](C)C)C2CCCC2)cccc1[N+](=O)[O-] ZINC000053152191 183889830 /nfs/dbraw/zinc/88/98/30/183889830.db2.gz HQQUZQXEJCCMCA-UHFFFAOYSA-N 1 0 319.405 2.850 20 5 DFBDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc([N+](=O)[O-])o2)C1 ZINC000110974893 194376571 /nfs/dbraw/zinc/37/65/71/194376571.db2.gz SHTANTRDAIVTLD-LBPRGKRZSA-N 1 0 323.393 2.818 20 5 DFBDRO CC[C@H]([NH2+]CCN(C)CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000268919994 207086784 /nfs/dbraw/zinc/08/67/84/207086784.db2.gz UFGAEYDPBYEWST-INIZCTEOSA-N 1 0 309.410 2.604 20 5 DFBDRO CC[C@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422711950 296320291 /nfs/dbraw/zinc/32/02/91/296320291.db2.gz HWSRBIPMQMKJTI-GJZGRUSLSA-N 1 0 307.394 2.614 20 5 DFBDRO CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@H]1CCCC[NH2+]1 ZINC000422711951 296320313 /nfs/dbraw/zinc/32/03/13/296320313.db2.gz HWSRBIPMQMKJTI-HUUCEWRRSA-N 1 0 307.394 2.614 20 5 DFBDRO CC[C@@H](NCc1cc([N+](=O)[O-])ccc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422711949 296320101 /nfs/dbraw/zinc/32/01/01/296320101.db2.gz HWSRBIPMQMKJTI-CABCVRRESA-N 1 0 307.394 2.614 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000422720113 296321184 /nfs/dbraw/zinc/32/11/84/296321184.db2.gz ZQEWUNJYSQZRAF-UHFFFAOYSA-N 1 0 305.378 2.603 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610815057 399409344 /nfs/dbraw/zinc/40/93/44/399409344.db2.gz ITIIZUOCIHFLCE-KGLIPLIRSA-N 1 0 308.378 2.607 20 5 DFBDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000616061958 399417444 /nfs/dbraw/zinc/41/74/44/399417444.db2.gz HXQUQEFGMTXLKB-RYUDHWBXSA-N 1 0 300.362 2.672 20 5 DFBDRO Cn1cc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)c([N+](=O)[O-])n1 ZINC000602467583 399451917 /nfs/dbraw/zinc/45/19/17/399451917.db2.gz XSFDUTIJRVNTIP-OAHLLOKOSA-N 1 0 314.389 2.783 20 5 DFBDRO COc1cc(N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c(F)cc1[N+](=O)[O-] ZINC000611255920 399452739 /nfs/dbraw/zinc/45/27/39/399452739.db2.gz UMFACRWSRZLBMM-OLZOCXBDSA-N 1 0 323.368 2.806 20 5 DFBDRO C[C@H](O)CCN(C)Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602471985 399452941 /nfs/dbraw/zinc/45/29/41/399452941.db2.gz DXWZNNQDECQHJK-ZETCQYMHSA-N 1 0 323.212 2.622 20 5 DFBDRO Cc1nc(C)c([C@H](C)N(C)Cc2cn(C)nc2[N+](=O)[O-])s1 ZINC000602475677 399455148 /nfs/dbraw/zinc/45/51/48/399455148.db2.gz QLLLZCLUOUMCGW-VIFPVBQESA-N 1 0 309.395 2.595 20 5 DFBDRO C[C@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC000602478400 399456928 /nfs/dbraw/zinc/45/69/28/399456928.db2.gz XYYNLHISFMXUCS-DZGCQCFKSA-N 1 0 314.389 2.781 20 5 DFBDRO CC[N@H+]1C[C@H](NC(=O)c2c(C)cc(C)c([N+](=O)[O-])c2C)[C@@H](C)C1 ZINC000611282363 399457555 /nfs/dbraw/zinc/45/75/55/399457555.db2.gz NQPINANOQXQDAI-JSGCOSHPSA-N 1 0 319.405 2.590 20 5 DFBDRO C[NH+](C)C1(CNCc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602501306 399461704 /nfs/dbraw/zinc/46/17/04/399461704.db2.gz GDOXYGQPQULYAM-UHFFFAOYSA-N 1 0 318.377 2.700 20 5 DFBDRO C[NH+](C)CCCNCc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602506894 399463418 /nfs/dbraw/zinc/46/34/18/399463418.db2.gz XHAWDYHSGKLZFK-UHFFFAOYSA-N 1 0 305.300 2.655 20 5 DFBDRO CC(C)C[C@@H](CNCc1nc2cc([N+](=O)[O-])ccc2o1)[NH+](C)C ZINC000602509870 399464322 /nfs/dbraw/zinc/46/43/22/399464322.db2.gz GXYNCQOYYAYIDI-ZDUSSCGKSA-N 1 0 320.393 2.802 20 5 DFBDRO CC[N@@H+]1CCC[C@H](CNCc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525824 399468040 /nfs/dbraw/zinc/46/80/40/399468040.db2.gz SFFADZOQUIRKTR-GFCCVEGCSA-N 1 0 318.377 2.558 20 5 DFBDRO Cc1c(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)cccc1[N+](=O)[O-] ZINC000611395123 399470234 /nfs/dbraw/zinc/47/02/34/399470234.db2.gz CIKCQAOLQDDFHJ-INIZCTEOSA-N 1 0 319.405 2.640 20 5 DFBDRO C[C@](O)(C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000602546393 399472793 /nfs/dbraw/zinc/47/27/93/399472793.db2.gz RIQQTDDBQAQZGH-ZDUSSCGKSA-N 1 0 318.295 2.864 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602548363 399473111 /nfs/dbraw/zinc/47/31/11/399473111.db2.gz XANFLDGHOODQSN-ZDUSSCGKSA-N 1 0 318.377 2.700 20 5 DFBDRO O=[N+]([O-])c1ccsc1NCC1([NH+]2CCCC2)CCOCC1 ZINC000611412529 399473200 /nfs/dbraw/zinc/47/32/00/399473200.db2.gz FXTAGOIHPMTXSH-UHFFFAOYSA-N 1 0 311.407 2.713 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCOCC2CCOCC2)cc1 ZINC000602558266 399475214 /nfs/dbraw/zinc/47/52/14/399475214.db2.gz KKCUVCDBWSARDZ-UHFFFAOYSA-N 1 0 322.405 2.560 20 5 DFBDRO CCc1cnc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000602558493 399475215 /nfs/dbraw/zinc/47/52/15/399475215.db2.gz BSYAHXLEFGTQFX-UHFFFAOYSA-N 1 0 305.403 2.989 20 5 DFBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000602562883 399476792 /nfs/dbraw/zinc/47/67/92/399476792.db2.gz KDCJRMDDCYTHCM-GUYCJALGSA-N 1 0 322.405 2.995 20 5 DFBDRO CC(C)C[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602570702 399478873 /nfs/dbraw/zinc/47/88/73/399478873.db2.gz HSJWLDPGKYHCQG-CYBMUJFWSA-N 1 0 306.410 2.983 20 5 DFBDRO CC(C)[C@@H](CO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602566720 399477923 /nfs/dbraw/zinc/47/79/23/399477923.db2.gz ZDWKNZMUXOLUMF-SECBINFHSA-N 1 0 323.212 2.525 20 5 DFBDRO C[C@H](CCCO)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602573656 399479634 /nfs/dbraw/zinc/47/96/34/399479634.db2.gz JVZPYTGOLLMELG-SSDOTTSWSA-N 1 0 323.212 2.669 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC([NH3+])CC1 ZINC000422773019 296330675 /nfs/dbraw/zinc/33/06/75/296330675.db2.gz XTHBNOSLYGLYHV-UHFFFAOYSA-N 1 0 323.418 2.707 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)ccc1[N+](=O)[O-] ZINC000611515534 399485864 /nfs/dbraw/zinc/48/58/64/399485864.db2.gz CWQVYUOGDKTJFA-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO C[C@H](CCCCO)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611522018 399487884 /nfs/dbraw/zinc/48/78/84/399487884.db2.gz FNIPQZHJJRBNIS-LLVKDONJSA-N 1 0 300.786 2.931 20 5 DFBDRO Cc1ccccc1C[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602627761 399495692 /nfs/dbraw/zinc/49/56/92/399495692.db2.gz SJXNNPXKDBJRFD-KRWDZBQOSA-N 1 0 314.385 2.639 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000602636519 399498310 /nfs/dbraw/zinc/49/83/10/399498310.db2.gz IFINKKWEPCRIPO-UTUOFQBUSA-N 1 0 300.362 2.997 20 5 DFBDRO COC(=O)c1[nH]c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1C ZINC000602636422 399498319 /nfs/dbraw/zinc/49/83/19/399498319.db2.gz XOZZVFWPELJXSP-UHFFFAOYSA-N 1 0 317.345 2.616 20 5 DFBDRO COCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602651493 399503041 /nfs/dbraw/zinc/50/30/41/399503041.db2.gz IJCAIOYTLDHFCG-UHFFFAOYSA-N 1 0 305.334 2.642 20 5 DFBDRO COc1cccc([C@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000611683505 399504710 /nfs/dbraw/zinc/50/47/10/399504710.db2.gz RAHQARGWTQUOKE-INIZCTEOSA-N 1 0 316.357 2.735 20 5 DFBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602665866 399509828 /nfs/dbraw/zinc/50/98/28/399509828.db2.gz DHYHPWQTIDXJKP-RQJHMYQMSA-N 1 0 323.212 2.932 20 5 DFBDRO CC(=O)N[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000347373173 285019658 /nfs/dbraw/zinc/01/96/58/285019658.db2.gz WRIXVLHCRLQPSE-WQMJKPAKSA-N 1 0 317.389 2.599 20 5 DFBDRO COCCO[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000347386579 285025436 /nfs/dbraw/zinc/02/54/36/285025436.db2.gz YRBDJXDPUGXVNN-OOXMNIKJSA-N 1 0 320.389 2.735 20 5 DFBDRO CC(C)[N@@H+](C)C[C@@H](C)NCc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602667681 399511337 /nfs/dbraw/zinc/51/13/37/399511337.db2.gz SGBKHCXFQCFUQM-LLVKDONJSA-N 1 0 306.366 2.554 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCCO[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000119087276 194971315 /nfs/dbraw/zinc/97/13/15/194971315.db2.gz JCJXZFSBYOGSCB-ZFWWWQNUSA-N 1 0 308.378 2.749 20 5 DFBDRO C[C@](CO)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269674873 207745026 /nfs/dbraw/zinc/74/50/26/207745026.db2.gz VVPFDFLRQSJPJF-IAGOWNOFSA-N 1 0 322.405 2.549 20 5 DFBDRO COC1(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602675597 399515647 /nfs/dbraw/zinc/51/56/47/399515647.db2.gz MOMYEMPUDOXNDH-UHFFFAOYSA-N 1 0 305.334 2.785 20 5 DFBDRO COc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])cc1OC ZINC000295915681 533025042 /nfs/dbraw/zinc/02/50/42/533025042.db2.gz FZPUJKAUXCKHCK-YOGCLGLASA-N 1 0 321.377 2.649 20 5 DFBDRO C[C@H]1C[C@@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687011 399521015 /nfs/dbraw/zinc/52/10/15/399521015.db2.gz UEIHVHMCUXKKLU-JOYOIKCWSA-N 1 0 318.295 2.816 20 5 DFBDRO C[C@H](O)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000602697308 399525600 /nfs/dbraw/zinc/52/56/00/399525600.db2.gz FSLMMAORRVEJRG-SJCJKPOMSA-N 1 0 318.348 2.988 20 5 DFBDRO CC[C@@]1([NH2+]Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)CCOC1 ZINC000616866206 399529397 /nfs/dbraw/zinc/52/93/97/399529397.db2.gz WGSRBXPUFHIOHM-MRXNPFEDSA-N 1 0 317.345 2.909 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000602707190 399531323 /nfs/dbraw/zinc/53/13/23/399531323.db2.gz DNQSYVHTGRKQJR-IRXDYDNUSA-N 1 0 303.406 2.744 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)cnc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000149420935 285091272 /nfs/dbraw/zinc/09/12/72/285091272.db2.gz UKSOMKACVNFTNB-GFCCVEGCSA-N 1 0 310.785 2.612 20 5 DFBDRO COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000602725959 399541916 /nfs/dbraw/zinc/54/19/16/399541916.db2.gz RYDOKSJZAXZNJT-LRDDRELGSA-N 1 0 306.362 2.534 20 5 DFBDRO CO[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000602730954 399544288 /nfs/dbraw/zinc/54/42/88/399544288.db2.gz HAKGTIBLGYIGMO-IAGOWNOFSA-N 1 0 322.405 2.597 20 5 DFBDRO C[C@@](CO)([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000602732462 399545617 /nfs/dbraw/zinc/54/56/17/399545617.db2.gz POQQCMHEMOSDJU-HNNXBMFYSA-N 1 0 310.419 2.535 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000347629377 285101645 /nfs/dbraw/zinc/10/16/45/285101645.db2.gz KCJMNZJWJSRGOT-HIFRSBDPSA-N 1 0 319.405 2.894 20 5 DFBDRO CC[C@H](NCCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]1 ZINC000423045518 296371323 /nfs/dbraw/zinc/37/13/23/296371323.db2.gz SLESRDYWNDUMPG-KBPBESRZSA-N 1 0 311.813 2.911 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)cc1 ZINC000287638759 285115766 /nfs/dbraw/zinc/11/57/66/285115766.db2.gz KSTZCGLXPFFKPS-CMPLNLGQSA-N 1 0 304.268 2.794 20 5 DFBDRO Cc1c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cccc1[N+](=O)[O-] ZINC000158641145 197290799 /nfs/dbraw/zinc/29/07/99/197290799.db2.gz ITHCTBLYGZHUCR-WBVHZDCISA-N 1 0 303.406 2.819 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000272005729 209377140 /nfs/dbraw/zinc/37/71/40/209377140.db2.gz IYLLFSDQEMUQTB-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000120240107 195125309 /nfs/dbraw/zinc/12/53/09/195125309.db2.gz ZNUOCKCLAMXDTP-ZDUSSCGKSA-N 1 0 307.394 2.924 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000286506951 219025826 /nfs/dbraw/zinc/02/58/26/219025826.db2.gz ROAOTEDUWYCKKV-GHMZBOCLSA-N 1 0 311.332 2.542 20 5 DFBDRO O=[N+]([O-])c1cnc(N(CC[NH+]2CCCCCC2)C2CCC2)nc1 ZINC000359980954 285171827 /nfs/dbraw/zinc/17/18/27/285171827.db2.gz IWFIKTNPVPMOTJ-UHFFFAOYSA-N 1 0 319.409 2.620 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000602805622 399582158 /nfs/dbraw/zinc/58/21/58/399582158.db2.gz OYXUAXQZVDJXDA-CQSZACIVSA-N 1 0 314.345 2.669 20 5 DFBDRO CCc1ccc([C@@H](N[C@H]2CC[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423218582 296393703 /nfs/dbraw/zinc/39/37/03/296393703.db2.gz UXDMMCBLKKQPEB-GUYCJALGSA-N 1 0 315.373 2.791 20 5 DFBDRO Cc1csc(C2([NH2+]CCn3c(C)ncc3[N+](=O)[O-])CCC2)n1 ZINC000602809908 399584751 /nfs/dbraw/zinc/58/47/51/399584751.db2.gz JNADCKCIUYAWKW-UHFFFAOYSA-N 1 0 321.406 2.534 20 5 DFBDRO COc1cc(C[NH+]2CCC([C@@H]3CCOC3)CC2)ccc1[N+](=O)[O-] ZINC000612130284 399588166 /nfs/dbraw/zinc/58/81/66/399588166.db2.gz ADMJKBKMXZKGLU-OAHLLOKOSA-N 1 0 320.389 2.852 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000266923830 285189111 /nfs/dbraw/zinc/18/91/11/285189111.db2.gz JNVGKHKCRMPXRB-CYBMUJFWSA-N 1 0 320.780 2.934 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](CN)C1CC1 ZINC000423274431 296399635 /nfs/dbraw/zinc/39/96/35/296399635.db2.gz KLXKYQXMKLSDHK-CHWSQXEVSA-N 1 0 309.435 2.792 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000423269353 296398942 /nfs/dbraw/zinc/39/89/42/296398942.db2.gz FNOYMNZKXWLBJY-SLEUVZQESA-N 1 0 307.394 2.700 20 5 DFBDRO CCc1ccc([C@H](NCC2C[NH2+]C2)c2ccc([N+](=O)[O-])cc2)o1 ZINC000423304675 296402640 /nfs/dbraw/zinc/40/26/40/296402640.db2.gz OQZMONRUMWJEBO-QGZVFWFLSA-N 1 0 315.373 2.649 20 5 DFBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2cn(C)nc2[N+](=O)[O-])cc1 ZINC000602846380 399600821 /nfs/dbraw/zinc/60/08/21/399600821.db2.gz PMLZIGBJUAZOBP-UHFFFAOYSA-N 1 0 302.378 2.748 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](NC[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349531 296407459 /nfs/dbraw/zinc/40/74/59/296407459.db2.gz VYSNHFTXXOJIHX-KBXCAEBGSA-N 1 0 311.385 2.883 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123618 542436331 /nfs/dbraw/zinc/43/63/31/542436331.db2.gz VUJJJZVFKDZXAK-WBMJQRKESA-N 1 0 320.389 2.597 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000423471090 296419178 /nfs/dbraw/zinc/41/91/78/296419178.db2.gz PPKGOUHSQJMZMK-WDEREUQCSA-N 1 0 323.418 2.516 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCNCC2(F)F)cc1[N+](=O)[O-] ZINC000423489603 296421261 /nfs/dbraw/zinc/42/12/61/296421261.db2.gz XLJBXUCKQVLRTR-DGCLKSJQSA-N 1 0 313.348 2.799 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCNCC2(F)F)cccc1[N+](=O)[O-] ZINC000423489905 296421312 /nfs/dbraw/zinc/42/13/12/296421312.db2.gz XXANYWNCHJDDRP-VXGBXAGGSA-N 1 0 313.348 2.799 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+](C)C)C1 ZINC000602887425 399616162 /nfs/dbraw/zinc/61/61/62/399616162.db2.gz WLVPIMYDFXLKKU-HNNXBMFYSA-N 1 0 307.394 2.518 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CCOCC1 ZINC000120643525 195206809 /nfs/dbraw/zinc/20/68/09/195206809.db2.gz YLUWLZPVJCLMDX-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890387 399617019 /nfs/dbraw/zinc/61/70/19/399617019.db2.gz XWMRKYJSGBHONJ-UONOGXRCSA-N 1 0 315.377 2.975 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@@H](n3ccnn3)CC2)cccc1[N+](=O)[O-] ZINC000602890167 399617230 /nfs/dbraw/zinc/61/72/30/399617230.db2.gz WZIVWPRMLWVPOO-OAHLLOKOSA-N 1 0 315.377 2.722 20 5 DFBDRO CCOc1ccc([C@@H](C)N[C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545865 296428436 /nfs/dbraw/zinc/42/84/36/296428436.db2.gz DWNWFBAUHHGIKN-TZMCWYRMSA-N 1 0 307.394 2.786 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000602890450 399617668 /nfs/dbraw/zinc/61/76/68/399617668.db2.gz ZUNRTDQWEKYTMI-GFCCVEGCSA-N 1 0 319.340 2.553 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000271556229 209010419 /nfs/dbraw/zinc/01/04/19/209010419.db2.gz VUGQLCBMOGMMEP-CVEARBPZSA-N 1 0 301.346 2.764 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000271577423 209027119 /nfs/dbraw/zinc/02/71/19/209027119.db2.gz RNRFAFNLIMMTBY-GZBFAFLISA-N 1 0 308.378 2.597 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423602055 296432494 /nfs/dbraw/zinc/43/24/94/296432494.db2.gz HFOPFYIRFRDLPE-RISCZKNCSA-N 1 0 305.378 2.589 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@H]1O ZINC000289608356 221099352 /nfs/dbraw/zinc/09/93/52/221099352.db2.gz LBLKIKOKMJLWOX-VXGBXAGGSA-N 1 0 316.304 2.541 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000289645395 221125842 /nfs/dbraw/zinc/12/58/42/221125842.db2.gz FXUPQOWMDMJMLY-HOCLYGCPSA-N 1 0 314.389 2.861 20 5 DFBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CCC1(F)F ZINC000289699252 221162952 /nfs/dbraw/zinc/16/29/52/221162952.db2.gz HIISBRIFCONEBP-LLVKDONJSA-N 1 0 300.305 2.951 20 5 DFBDRO Cc1ccc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000289703103 221166588 /nfs/dbraw/zinc/16/65/88/221166588.db2.gz ORQUSLQFULBLLG-ZBFHGGJFSA-N 1 0 303.406 2.962 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289711674 221171888 /nfs/dbraw/zinc/17/18/88/221171888.db2.gz FDLBDQWPKULFMW-CYBMUJFWSA-N 1 0 309.410 2.813 20 5 DFBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289736006 221189497 /nfs/dbraw/zinc/18/94/97/221189497.db2.gz JHQNUMPHKBQZMA-JKSUJKDBSA-N 1 0 322.405 2.908 20 5 DFBDRO Cc1cnn([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3C)C2)c1 ZINC000289978009 221356772 /nfs/dbraw/zinc/35/67/72/221356772.db2.gz RNGOQNDPEADALT-HNNXBMFYSA-N 1 0 300.362 2.855 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](n3cc(Cl)cn3)C2)cc1 ZINC000290030162 221390871 /nfs/dbraw/zinc/39/08/71/221390871.db2.gz VTXORLRXOMDDFU-HNNXBMFYSA-N 1 0 320.780 2.934 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)ccc1[N+](=O)[O-] ZINC000602997265 399654588 /nfs/dbraw/zinc/65/45/88/399654588.db2.gz GROANOISUPWCGJ-LZWOXQAQSA-N 1 0 320.389 2.729 20 5 DFBDRO C[C@@H]1C[C@@H](CC(F)(F)F)[C@@H](C)[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000602967287 399642667 /nfs/dbraw/zinc/64/26/67/399642667.db2.gz FTSAJIJOSKSMOH-MXWKQRLJSA-N 1 0 320.315 2.843 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000602987485 399651279 /nfs/dbraw/zinc/65/12/79/399651279.db2.gz IFZOOFRQAFUXOJ-JBLDHEPKSA-N 1 0 318.295 2.758 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])n1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000603212763 399711964 /nfs/dbraw/zinc/71/19/64/399711964.db2.gz AKJZFVNZPAFVQL-YGRLFVJLSA-N 1 0 303.366 2.842 20 5 DFBDRO Cc1nccnc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000294978262 224354223 /nfs/dbraw/zinc/35/42/23/224354223.db2.gz KLBMDBCIURSHIX-LBPRGKRZSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[C@](C)([NH3+])c1cn([C@@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603252560 399724082 /nfs/dbraw/zinc/72/40/82/399724082.db2.gz VAIQSICEYJZJHA-NHYWBVRUSA-N 1 0 303.366 2.688 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000121737033 195336685 /nfs/dbraw/zinc/33/66/85/195336685.db2.gz DYEVGJSWQYDRPU-LLVKDONJSA-N 1 0 311.332 2.795 20 5 DFBDRO C[C@@H]1CCC[C@](CNC(=O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000124508941 195649010 /nfs/dbraw/zinc/64/90/10/195649010.db2.gz SPDYQOZTCCFBRR-DYVFJYSZSA-N 1 0 319.405 2.835 20 5 DFBDRO COc1ccc(C[N@H+]2CC[C@H](OC)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000295013609 533570374 /nfs/dbraw/zinc/57/03/74/533570374.db2.gz MKFPQIUTABQUSP-HNNXBMFYSA-N 1 0 308.378 2.850 20 5 DFBDRO Cc1ccc(C(=O)Nc2cccc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000323476841 533614743 /nfs/dbraw/zinc/61/47/43/533614743.db2.gz YQRCKNLPDUNEMY-UHFFFAOYSA-N 1 0 311.341 2.801 20 5 DFBDRO COc1ccc(C[NH2+]CCc2scnc2C)cc1[N+](=O)[O-] ZINC000294921696 533665247 /nfs/dbraw/zinc/66/52/47/533665247.db2.gz FSRHGAZIBVFLHD-UHFFFAOYSA-N 1 0 307.375 2.701 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C2CCOCC2)CC1 ZINC000603409502 399769420 /nfs/dbraw/zinc/76/94/20/399769420.db2.gz ZDYHQIMLVNQFQK-UHFFFAOYSA-N 1 0 323.368 2.789 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000423971433 296470026 /nfs/dbraw/zinc/47/00/26/296470026.db2.gz KIFNJVGITFOOAC-CJNGLKHVSA-N 1 0 317.389 2.507 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c(Cl)c1 ZINC000290219338 131465748 /nfs/dbraw/zinc/46/57/48/131465748.db2.gz WXIMWIWJMQFASY-OAHLLOKOSA-N 1 0 320.776 2.941 20 5 DFBDRO C[C@H](CNc1cccnc1[N+](=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC000603849960 399808644 /nfs/dbraw/zinc/80/86/44/399808644.db2.gz YUDSJHIOOAYCHE-CYBMUJFWSA-N 1 0 312.373 2.849 20 5 DFBDRO Cn1cc([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)cn1 ZINC000604556265 399855555 /nfs/dbraw/zinc/85/55/55/399855555.db2.gz CANGJEGOVJOECG-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000349202872 285804638 /nfs/dbraw/zinc/80/46/38/285804638.db2.gz QUJNNDWMHBQWTL-PRHODGIISA-N 1 0 322.283 2.567 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)cc1 ZINC000072664953 145188871 /nfs/dbraw/zinc/18/88/71/145188871.db2.gz QYRJMZUKZZTLKH-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO CC(C)[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000171453857 145266464 /nfs/dbraw/zinc/26/64/64/145266464.db2.gz HOCUBSKWZWTPGO-INIZCTEOSA-N 1 0 319.405 2.722 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc([N+](=O)[O-])c1 ZINC000177561683 145482326 /nfs/dbraw/zinc/48/23/26/145482326.db2.gz NAJBSTUNXLLTHB-KBPBESRZSA-N 1 0 305.378 2.506 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCn2cccn2)cc1[N+](=O)[O-] ZINC000180430626 145582845 /nfs/dbraw/zinc/58/28/45/145582845.db2.gz ZFROHHYPXPCBLU-LBPRGKRZSA-N 1 0 304.350 2.541 20 5 DFBDRO COCC[N@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228847900 146010063 /nfs/dbraw/zinc/01/00/63/146010063.db2.gz LTNTUZHKAAGTFE-UHFFFAOYSA-N 1 0 322.192 2.892 20 5 DFBDRO Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1[N+](=O)[O-] ZINC000237709903 146050425 /nfs/dbraw/zinc/05/04/25/146050425.db2.gz LWBJVNXPKAQYCK-OAHLLOKOSA-N 1 0 311.341 2.556 20 5 DFBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCCC[C@H]1O ZINC000245558599 146083227 /nfs/dbraw/zinc/08/32/27/146083227.db2.gz VQRUPAQSLGFEEE-SMDDNHRTSA-N 1 0 319.361 2.719 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000246062768 146117476 /nfs/dbraw/zinc/11/74/76/146117476.db2.gz YMYHFNNCTHKCHK-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@H](CNC(=O)c1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000246644555 146147554 /nfs/dbraw/zinc/14/75/54/146147554.db2.gz UUSHKYCAIVAALK-VXGBXAGGSA-N 1 0 323.368 2.584 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C1CC1 ZINC000249148520 146190614 /nfs/dbraw/zinc/19/06/14/146190614.db2.gz XGFNLTURMCSZLG-WQVCFCJDSA-N 1 0 304.390 2.667 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252700142 146221992 /nfs/dbraw/zinc/22/19/92/146221992.db2.gz YFXCLFNPEZOGFE-NWDGAFQWSA-N 1 0 311.769 2.523 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000255436756 146232300 /nfs/dbraw/zinc/23/23/00/146232300.db2.gz NZECJVNEEHBFSK-WRLNGNIRSA-N 1 0 301.390 2.778 20 5 DFBDRO NC(=O)CC[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255361153 146232331 /nfs/dbraw/zinc/23/23/31/146232331.db2.gz UWVMNLWVGFLMHK-ZBKLQPJUSA-N 1 0 317.389 2.586 20 5 DFBDRO Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1[N+](=O)[O-] ZINC000261650838 146253724 /nfs/dbraw/zinc/25/37/24/146253724.db2.gz FIJQNEMBRDUWJT-OAHLLOKOSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1cc(F)cc(-c2nc(C3([NH3+])CCCC3)no2)c1[N+](=O)[O-] ZINC000261816123 146281560 /nfs/dbraw/zinc/28/15/60/146281560.db2.gz QFBKKKJZMYTKPZ-UHFFFAOYSA-N 1 0 306.297 2.820 20 5 DFBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000460361744 543395323 /nfs/dbraw/zinc/39/53/23/543395323.db2.gz IDHVZWJECQQUPQ-HUUCEWRRSA-N 1 0 319.405 2.998 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000261984077 146314989 /nfs/dbraw/zinc/31/49/89/146314989.db2.gz RYCRSEZJRUFDHH-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CN(Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000261982945 146315890 /nfs/dbraw/zinc/31/58/90/146315890.db2.gz JLUBUUWYMMVRBL-ABAIWWIYSA-N 1 0 301.346 2.634 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[NH2+]CC23CCCCC3)c(F)c1 ZINC000261986032 146316950 /nfs/dbraw/zinc/31/69/50/146316950.db2.gz AYXMVFALSRHSAU-UHFFFAOYSA-N 1 0 307.369 2.842 20 5 DFBDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262438800 146359818 /nfs/dbraw/zinc/35/98/18/146359818.db2.gz HASAUYQUJJTHLT-LLVKDONJSA-N 1 0 307.394 2.620 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354413752 147028057 /nfs/dbraw/zinc/02/80/57/147028057.db2.gz YFTXMSTZHHCUNW-JSGCOSHPSA-N 1 0 305.378 2.540 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000354422590 147030775 /nfs/dbraw/zinc/03/07/75/147030775.db2.gz GSQWGISGUKZTCJ-JSGCOSHPSA-N 1 0 319.405 2.848 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000354706574 147121285 /nfs/dbraw/zinc/12/12/85/147121285.db2.gz BFAOCWYYEDKIMZ-GXTWGEPZSA-N 1 0 319.405 2.542 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000354985380 147213315 /nfs/dbraw/zinc/21/33/15/147213315.db2.gz SMNUYQUGUCPMJW-UHOFOFEASA-N 1 0 308.378 2.748 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+](CCO)[C@H]1CCCSC1 ZINC000355498515 147338016 /nfs/dbraw/zinc/33/80/16/147338016.db2.gz NSXHXYYMEXANQT-VFQAQYNWSA-N 1 0 322.430 2.798 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000355596384 147378614 /nfs/dbraw/zinc/37/86/14/147378614.db2.gz CRHKKIYXWHZPPC-STQMWFEESA-N 1 0 320.393 2.816 20 5 DFBDRO CCc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000593188767 543463886 /nfs/dbraw/zinc/46/38/86/543463886.db2.gz PJSAIFHEBZGQHY-UPJWGTAASA-N 1 0 319.405 2.710 20 5 DFBDRO CCCC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000357548113 148032640 /nfs/dbraw/zinc/03/26/40/148032640.db2.gz ADJMBOSRLHPEET-UHFFFAOYSA-N 1 0 305.378 2.822 20 5 DFBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000357563293 148038564 /nfs/dbraw/zinc/03/85/64/148038564.db2.gz HFQMENDKMLHLCX-NSHDSACASA-N 1 0 303.366 2.679 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357668513 148078092 /nfs/dbraw/zinc/07/80/92/148078092.db2.gz VYXDZOYYMMSAFJ-NWDGAFQWSA-N 1 0 306.366 2.507 20 5 DFBDRO C[NH+](C)C1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000357777867 148118599 /nfs/dbraw/zinc/11/85/99/148118599.db2.gz KXXVSTVEXNSTNV-UHFFFAOYSA-N 1 0 317.345 2.507 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)c1cccc([N+](=O)[O-])c1 ZINC000358023055 148215819 /nfs/dbraw/zinc/21/58/19/148215819.db2.gz JWLORMLYUUMTDU-CYBMUJFWSA-N 1 0 316.357 2.817 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000358048237 148225064 /nfs/dbraw/zinc/22/50/64/148225064.db2.gz MOLROJSYKGPXNA-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccc([N+](=O)[O-])cc1 ZINC000361221516 149057870 /nfs/dbraw/zinc/05/78/70/149057870.db2.gz SSGPMGGSLSWGGG-CYBMUJFWSA-N 1 0 305.378 2.648 20 5 DFBDRO C[C@H]([NH2+]C1CCN(CC(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000361294687 149077262 /nfs/dbraw/zinc/07/72/62/149077262.db2.gz FYXRPJCJJNCZLD-NSHDSACASA-N 1 0 313.348 2.975 20 5 DFBDRO CC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC1CCC1 ZINC000361479893 149126690 /nfs/dbraw/zinc/12/66/90/149126690.db2.gz AOTDLSNTGQBZEX-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO CC[N@@H+](CC(=O)Nc1c(C)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361481242 149126945 /nfs/dbraw/zinc/12/69/45/149126945.db2.gz KPSLVIGTSCYEBA-UHFFFAOYSA-N 1 0 305.378 2.964 20 5 DFBDRO CC[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000361530074 149140376 /nfs/dbraw/zinc/14/03/76/149140376.db2.gz YHYKOCYQJLLVTC-UHFFFAOYSA-N 1 0 307.394 2.926 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C(F)F)CC2)cc1 ZINC000361689772 149193191 /nfs/dbraw/zinc/19/31/91/149193191.db2.gz RCKRGHFIQZBWNF-UHFFFAOYSA-N 1 0 300.305 2.951 20 5 DFBDRO CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)C1 ZINC000361854702 149238037 /nfs/dbraw/zinc/23/80/37/149238037.db2.gz AZFCWXWINRUOTB-CYBMUJFWSA-N 1 0 320.393 2.675 20 5 DFBDRO Cc1ccc(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000362618143 149324780 /nfs/dbraw/zinc/32/47/80/149324780.db2.gz WLXKXEBUXLBYKY-DZKIICNBSA-N 1 0 317.389 2.522 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000366857955 149504591 /nfs/dbraw/zinc/50/45/91/149504591.db2.gz NBOMAPKPZGEJQX-CZUORRHYSA-N 1 0 317.389 2.507 20 5 DFBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000373766636 150254576 /nfs/dbraw/zinc/25/45/76/150254576.db2.gz AAIDICDEAZTUCE-ZDUSSCGKSA-N 1 0 308.378 2.852 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374054203 150299897 /nfs/dbraw/zinc/29/98/97/150299897.db2.gz NGXDXMGRCNVZRT-CYBMUJFWSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@H]1C[C@H](c2cccs2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000374064867 150301135 /nfs/dbraw/zinc/30/11/35/150301135.db2.gz KTUCZSRYSILOFF-RYUDHWBXSA-N 1 0 306.391 2.731 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(OCC2CC2)CC1 ZINC000374131879 150309590 /nfs/dbraw/zinc/30/95/90/150309590.db2.gz PJQGCLSEODWKOP-UHFFFAOYSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3c[nH]cn3)CC2)c1 ZINC000374197351 150320921 /nfs/dbraw/zinc/32/09/21/150320921.db2.gz CKRMELMGLIDMCZ-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374413639 150362233 /nfs/dbraw/zinc/36/22/33/150362233.db2.gz XZKHADBJIZPGKZ-KBPBESRZSA-N 1 0 320.389 2.852 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)cc1[N+](=O)[O-] ZINC000374468580 150371618 /nfs/dbraw/zinc/37/16/18/150371618.db2.gz JJBLADVRZYAWIF-FZMZJTMJSA-N 1 0 300.362 2.834 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408464915 150899636 /nfs/dbraw/zinc/89/96/36/150899636.db2.gz GCEQZHRYHXSQIC-JHJVBQTASA-N 1 0 322.384 2.971 20 5 DFBDRO COc1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(F)cc1[N+](=O)[O-] ZINC000277046803 286229419 /nfs/dbraw/zinc/22/94/19/286229419.db2.gz PUZZNRIPNXADBE-AAEUAGOBSA-N 1 0 323.368 2.663 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000351937095 286249808 /nfs/dbraw/zinc/24/98/08/286249808.db2.gz RYGXIIHXWZSVDG-KGLIPLIRSA-N 1 0 321.421 2.906 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(N3CCC([NH+]4CCCC4)CC3)nc2c1 ZINC000427986703 296674401 /nfs/dbraw/zinc/67/44/01/296674401.db2.gz YRXHSLVVWFDCSW-UHFFFAOYSA-N 1 0 315.377 2.536 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000273211034 292283177 /nfs/dbraw/zinc/28/31/77/292283177.db2.gz JRTPFOCVUCWHMF-AWEZNQCLSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1nnc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])s1 ZINC000352465623 286381191 /nfs/dbraw/zinc/38/11/91/286381191.db2.gz MGOTZNIZJWWYIO-XQRVVYSFSA-N 1 0 304.375 2.600 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000067614122 292292434 /nfs/dbraw/zinc/29/24/34/292292434.db2.gz VQIHGDLIWLEJPQ-OAHLLOKOSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC000428572515 296705661 /nfs/dbraw/zinc/70/56/61/296705661.db2.gz MTCJUNAFVFPWPI-CYBMUJFWSA-N 1 0 314.341 2.566 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493390565 299771185 /nfs/dbraw/zinc/77/11/85/299771185.db2.gz VIPYVXNJGWCLJP-CABCVRRESA-N 1 0 314.389 2.829 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000493390568 299771227 /nfs/dbraw/zinc/77/12/27/299771227.db2.gz VIPYVXNJGWCLJP-GJZGRUSLSA-N 1 0 314.389 2.829 20 5 DFBDRO Cc1c(NC(=O)CC[NH2+][C@@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000352814824 286474769 /nfs/dbraw/zinc/47/47/69/286474769.db2.gz JYLMXVPLDKUVLO-GXFFZTMASA-N 1 0 323.418 2.573 20 5 DFBDRO Cc1c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)cccc1[N+](=O)[O-] ZINC000247282831 158127544 /nfs/dbraw/zinc/12/75/44/158127544.db2.gz SYCLCVSUYHAYJI-HUUCEWRRSA-N 1 0 308.403 2.610 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247432670 158135068 /nfs/dbraw/zinc/13/50/68/158135068.db2.gz OVKHTNVECVQARS-DZGCQCFKSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@@H]1CC[N@H+](Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)[C@H]1C ZINC000248371922 158169666 /nfs/dbraw/zinc/16/96/66/158169666.db2.gz ZHADCANHUDXMSR-MNOVXSKESA-N 1 0 302.334 2.875 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000357024418 158350650 /nfs/dbraw/zinc/35/06/50/158350650.db2.gz NDKPPXAHEHSAGL-UONOGXRCSA-N 1 0 321.421 2.906 20 5 DFBDRO CCCCO[C@@H]1C[C@H]([N@H+](C)CCn2cc([N+](=O)[O-])cn2)C1(C)C ZINC000357082059 158361840 /nfs/dbraw/zinc/36/18/40/158361840.db2.gz WRVQRPMQOBJTGQ-LSDHHAIUSA-N 1 0 324.425 2.707 20 5 DFBDRO C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000269000949 287039860 /nfs/dbraw/zinc/03/98/60/287039860.db2.gz UWQPCEFBJQFBBE-IUODEOHRSA-N 1 0 309.435 2.683 20 5 DFBDRO COc1cc(C[N@H+](C)[C@@H]2CCSC2)c([N+](=O)[O-])cc1OC ZINC000130550988 196089244 /nfs/dbraw/zinc/08/92/44/196089244.db2.gz RZUSNNXWUJOHRO-LLVKDONJSA-N 1 0 312.391 2.549 20 5 DFBDRO Cc1nccn1CCC[N@@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000130711701 196103470 /nfs/dbraw/zinc/10/34/70/196103470.db2.gz IZLAGRNGEWNKNO-UHFFFAOYSA-N 1 0 318.377 2.501 20 5 DFBDRO Cn1ccc(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000130730486 196105535 /nfs/dbraw/zinc/10/55/35/196105535.db2.gz SIRCIFLFVGGJFZ-UHFFFAOYSA-N 1 0 315.373 2.977 20 5 DFBDRO CC1(C)CC(NC(=O)c2ccc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC000054150346 425889529 /nfs/dbraw/zinc/88/95/29/425889529.db2.gz JVVPRLBITXMVNH-UHFFFAOYSA-N 1 0 323.368 2.773 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000131722420 196193654 /nfs/dbraw/zinc/19/36/54/196193654.db2.gz RWYHOWMSFMBTEF-HNNXBMFYSA-N 1 0 320.389 2.612 20 5 DFBDRO [NH3+][C@H](CNc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000132404713 196253776 /nfs/dbraw/zinc/25/37/76/196253776.db2.gz HXLCMFACFAAVCP-SECBINFHSA-N 1 0 300.156 2.507 20 5 DFBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000132956987 196299602 /nfs/dbraw/zinc/29/96/02/196299602.db2.gz URZKJIQWSYUREV-IRXDYDNUSA-N 1 0 319.405 2.775 20 5 DFBDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(F)cc1[N+](=O)[O-] ZINC000134349113 196380695 /nfs/dbraw/zinc/38/06/95/196380695.db2.gz BYODWSFSCLQBDQ-ZDUSSCGKSA-N 1 0 323.368 2.728 20 5 DFBDRO Cc1c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000135570864 196488320 /nfs/dbraw/zinc/48/83/20/196488320.db2.gz SYCLCVSUYHAYJI-LSDHHAIUSA-N 1 0 308.403 2.610 20 5 DFBDRO Cc1nc(NC[C@@H](c2ccco2)[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC000296624222 226060336 /nfs/dbraw/zinc/06/03/36/226060336.db2.gz VCROHOQQKTZLQI-ZDUSSCGKSA-N 1 0 317.349 2.535 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296759424 226202350 /nfs/dbraw/zinc/20/23/50/226202350.db2.gz QJAPCLVAWTVYDA-STQMWFEESA-N 1 0 305.378 2.504 20 5 DFBDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000290737382 221881049 /nfs/dbraw/zinc/88/10/49/221881049.db2.gz RFTNGIPHENWKKO-CYBMUJFWSA-N 1 0 322.409 2.514 20 5 DFBDRO C[NH+](C)CCCNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000291389808 222360140 /nfs/dbraw/zinc/36/01/40/222360140.db2.gz CKGNXTGOAIZHJJ-UHFFFAOYSA-N 1 0 320.176 2.583 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000291414470 222375295 /nfs/dbraw/zinc/37/52/95/222375295.db2.gz GZVMEMNTMKTFDF-UHFFFAOYSA-N 1 0 305.378 2.882 20 5 DFBDRO Cc1cccc(C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000299263781 229015986 /nfs/dbraw/zinc/01/59/86/229015986.db2.gz ZTSHRGFQEZBZSN-CYBMUJFWSA-N 1 0 307.394 2.609 20 5 DFBDRO C[NH2+]CCN(C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000435387178 296958972 /nfs/dbraw/zinc/95/89/72/296958972.db2.gz XVOULFHBSAMHSA-UHFFFAOYSA-N 1 0 319.361 2.515 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000299532984 229188431 /nfs/dbraw/zinc/18/84/31/229188431.db2.gz NOWUXZRUQNUYJI-HNNXBMFYSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cc(NCCCn2ccnn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302112445 230101318 /nfs/dbraw/zinc/10/13/18/230101318.db2.gz BDAYWJDHUUMMGJ-UHFFFAOYSA-N 1 0 312.333 2.545 20 5 DFBDRO Cc1cccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1[N+](=O)[O-] ZINC000302507685 230274597 /nfs/dbraw/zinc/27/45/97/230274597.db2.gz RGENSXNKABNGRD-ZIAGYGMSSA-N 1 0 307.394 2.814 20 5 DFBDRO CN(C(=O)C[N@H+](C1CC1)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000064809134 425901984 /nfs/dbraw/zinc/90/19/84/425901984.db2.gz DSUBEMRTHCKYCG-UHFFFAOYSA-N 1 0 317.389 2.965 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCCO)o2)c(Cl)c1 ZINC000067697287 425912822 /nfs/dbraw/zinc/91/28/22/425912822.db2.gz NMKIXKHYGOKYSO-UHFFFAOYSA-N 1 0 310.737 2.980 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000124536276 425924615 /nfs/dbraw/zinc/92/46/15/425924615.db2.gz YTWOLZMEPBUNTQ-RZEIDYGVSA-N 1 0 317.389 2.549 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177462253 267644072 /nfs/dbraw/zinc/64/40/72/267644072.db2.gz DRESLXFMWFHJHB-LSDHHAIUSA-N 1 0 319.405 2.760 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC000012670779 425734532 /nfs/dbraw/zinc/73/45/32/425734532.db2.gz MAQAAHDQKDFUJL-GHMZBOCLSA-N 1 0 309.366 2.565 20 5 DFBDRO CCCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000026161810 425810746 /nfs/dbraw/zinc/81/07/46/425810746.db2.gz NFWFEDDQPFBVJT-UHFFFAOYSA-N 1 0 309.366 2.664 20 5 DFBDRO Cc1cccc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cn3)CC2)c1 ZINC000022805600 425795735 /nfs/dbraw/zinc/79/57/35/425795735.db2.gz KDIOSFNKFGGWAD-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO C[NH+](C)[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000045775080 425862368 /nfs/dbraw/zinc/86/23/68/425862368.db2.gz HWHKIWQLBBCHCW-MRXNPFEDSA-N 1 0 319.405 2.835 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2ccc([N+](=O)[O-])cc2)CCCCCC1 ZINC000039515021 425851122 /nfs/dbraw/zinc/85/11/22/425851122.db2.gz VPPOXIBOVQQKSV-UHFFFAOYSA-N 1 0 319.405 2.979 20 5 DFBDRO CSC[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192891525 268053211 /nfs/dbraw/zinc/05/32/11/268053211.db2.gz ZFEGAWBIAOTULJ-DOMZBBRYSA-N 1 0 310.419 2.676 20 5 DFBDRO C[NH+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000263984549 268171635 /nfs/dbraw/zinc/17/16/35/268171635.db2.gz CUFKUIHLXXRRSI-JTQLQIEISA-N 1 0 303.284 2.754 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000263739034 268171849 /nfs/dbraw/zinc/17/18/49/268171849.db2.gz ZUZYMNQNJXUDKZ-AWEZNQCLSA-N 1 0 318.348 2.675 20 5 DFBDRO CC(=O)c1ccc(N(C)CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000264224930 268172802 /nfs/dbraw/zinc/17/28/02/268172802.db2.gz QBTHQSGPKAIJSP-UHFFFAOYSA-N 1 0 305.378 2.575 20 5 DFBDRO C[NH+](C)CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000270701224 268203145 /nfs/dbraw/zinc/20/31/45/268203145.db2.gz IQEMADHCQNGEMJ-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO CC[C@H]1CO[C@H](C)CN1Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271001390 268247312 /nfs/dbraw/zinc/24/73/12/268247312.db2.gz KZBOSHXGFOMEII-YPMHNXCESA-N 1 0 324.377 2.611 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1[N+](=O)[O-] ZINC000272843141 268252803 /nfs/dbraw/zinc/25/28/03/268252803.db2.gz UCBCEPINVYZJIP-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO CC(C)C1([NH2+]Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 ZINC000293204787 268288652 /nfs/dbraw/zinc/28/86/52/268288652.db2.gz XVAKQYBKSJCKKO-UHFFFAOYSA-N 1 0 302.334 2.923 20 5 DFBDRO CCC1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CCCC1 ZINC000296426448 268305883 /nfs/dbraw/zinc/30/58/83/268305883.db2.gz VCIPEZGDNZWGAS-UHFFFAOYSA-N 1 0 317.389 2.796 20 5 DFBDRO COc1cc(N(C)CC2([NH+](C)C)CCC2)c(F)cc1[N+](=O)[O-] ZINC000302524768 268324398 /nfs/dbraw/zinc/32/43/98/268324398.db2.gz ZLKQZMIZCCWQFA-UHFFFAOYSA-N 1 0 311.357 2.663 20 5 DFBDRO C[N@H+](CCO)Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000305739493 268333974 /nfs/dbraw/zinc/33/39/74/268333974.db2.gz XJLAHXGELOCPTB-UHFFFAOYSA-N 1 0 320.320 2.950 20 5 DFBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000331723579 268358591 /nfs/dbraw/zinc/35/85/91/268358591.db2.gz LUPYQAITKJJJTG-OCCSQVGLSA-N 1 0 317.389 2.604 20 5 DFBDRO CC[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000125642640 425983613 /nfs/dbraw/zinc/98/36/13/425983613.db2.gz AAOBKRQKROWALN-CYBMUJFWSA-N 1 0 305.378 2.964 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107526769 425994809 /nfs/dbraw/zinc/99/48/09/425994809.db2.gz LQLDRMNRHYQQCG-AWEZNQCLSA-N 1 0 317.389 2.685 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000336850445 268439066 /nfs/dbraw/zinc/43/90/66/268439066.db2.gz UBGHCKNBRQQJET-DCBWTQNWSA-N 1 0 305.378 2.598 20 5 DFBDRO C[C@@H](O)C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000125213143 425958466 /nfs/dbraw/zinc/95/84/66/425958466.db2.gz SAHGNJXHTFQYRA-SECBINFHSA-N 1 0 310.737 2.979 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105433820 425967691 /nfs/dbraw/zinc/96/76/91/425967691.db2.gz FMKFGMBKNGFMHJ-UHFFFAOYSA-N 1 0 309.366 2.599 20 5 DFBDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000337448747 268494805 /nfs/dbraw/zinc/49/48/05/268494805.db2.gz DKLSGOYLOILUOT-JOYOIKCWSA-N 1 0 311.769 2.965 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000161939940 426046489 /nfs/dbraw/zinc/04/64/89/426046489.db2.gz LLKFSSCBWKRTCZ-ZDUSSCGKSA-N 1 0 313.785 2.694 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CC[C@@H](CO)C3)o2)c1 ZINC000127230734 426057137 /nfs/dbraw/zinc/05/71/37/426057137.db2.gz QAZCCMQPDMHENY-GFCCVEGCSA-N 1 0 302.330 2.669 20 5 DFBDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000127308080 426060373 /nfs/dbraw/zinc/06/03/73/426060373.db2.gz LOIOEGOXVYSCFD-CHWSQXEVSA-N 1 0 305.378 2.901 20 5 DFBDRO CC[C@@H](C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000126377168 426017449 /nfs/dbraw/zinc/01/74/49/426017449.db2.gz NBTCPHNWNNKMRU-ZDUSSCGKSA-N 1 0 313.785 2.547 20 5 DFBDRO C[C@H]([NH2+]Cc1cccc(N(C)C)n1)c1ccc([N+](=O)[O-])cc1 ZINC000163135788 426089661 /nfs/dbraw/zinc/08/96/61/426089661.db2.gz QQUAOFFJDJTISD-LBPRGKRZSA-N 1 0 300.362 2.907 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076004865 426093538 /nfs/dbraw/zinc/09/35/38/426093538.db2.gz IOQZYBJPFDVDJO-OAHLLOKOSA-N 1 0 321.421 2.767 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000076481697 426113277 /nfs/dbraw/zinc/11/32/77/426113277.db2.gz JPZYEHMXUFGRMM-UKRRQHHQSA-N 1 0 319.405 2.706 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128525254 426121428 /nfs/dbraw/zinc/12/14/28/426121428.db2.gz KVPPFBMDILMLDL-PBHICJAKSA-N 1 0 320.389 2.730 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CO[C@@H]1CCOC1 ZINC000166459289 426126994 /nfs/dbraw/zinc/12/69/94/426126994.db2.gz FUBICMNLVMUECB-VNHYZAJKSA-N 1 0 308.378 2.748 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000075503409 426074875 /nfs/dbraw/zinc/07/48/75/426074875.db2.gz GSVCYITYFQYPIK-CQSZACIVSA-N 1 0 320.393 2.933 20 5 DFBDRO CC[N@H+](CCCO)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000162914476 426082874 /nfs/dbraw/zinc/08/28/74/426082874.db2.gz UWPDVEABNINOPT-UHFFFAOYSA-N 1 0 317.183 2.562 20 5 DFBDRO CC(C)C1CC[NH+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000075833468 426085905 /nfs/dbraw/zinc/08/59/05/426085905.db2.gz CSZVZNHEVKJJRU-MRXNPFEDSA-N 1 0 322.405 2.703 20 5 DFBDRO COCCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000116886479 426200902 /nfs/dbraw/zinc/20/09/02/426200902.db2.gz LFTQLAPYQIBRCP-ZDUSSCGKSA-N 1 0 308.378 2.783 20 5 DFBDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000338295845 268653369 /nfs/dbraw/zinc/65/33/69/268653369.db2.gz ICPMOUFLISNHLC-ZJUUUORDSA-N 1 0 314.769 2.926 20 5 DFBDRO O=C(C[NH+](CC1CC1)CC1CC1)Nc1ccccc1[N+](=O)[O-] ZINC000115563903 426167492 /nfs/dbraw/zinc/16/74/92/426167492.db2.gz LRFPLTRXLFZSQK-UHFFFAOYSA-N 1 0 303.362 2.655 20 5 DFBDRO CC[N@H+](CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1)C1CC1 ZINC000171141722 426171996 /nfs/dbraw/zinc/17/19/96/426171996.db2.gz YZYULBQSRHPYTN-UHFFFAOYSA-N 1 0 323.418 2.531 20 5 DFBDRO C[C@H](O)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512867 426173143 /nfs/dbraw/zinc/17/31/43/426173143.db2.gz XECWPCVLEINAJY-AWEZNQCLSA-N 1 0 322.405 2.989 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095792 426220767 /nfs/dbraw/zinc/22/07/67/426220767.db2.gz MCFIHFFWUABDSY-CJNGLKHVSA-N 1 0 321.421 2.766 20 5 DFBDRO O=C(Cc1cccc([N+](=O)[O-])c1)NCCC[NH+]1CCCCCC1 ZINC000172981986 426232950 /nfs/dbraw/zinc/23/29/50/426232950.db2.gz ASIDNMXJBXNFSS-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000173331029 426239875 /nfs/dbraw/zinc/23/98/75/426239875.db2.gz KVHDRVKZVBMEMZ-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000173819804 426248317 /nfs/dbraw/zinc/24/83/17/426248317.db2.gz WNZXYEZBWVZWTF-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CCc1cccc([N+](=O)[O-])c1 ZINC000087116613 426265884 /nfs/dbraw/zinc/26/58/84/426265884.db2.gz YKOBIKVCKXMLJT-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174869243 426266886 /nfs/dbraw/zinc/26/68/86/426266886.db2.gz FSWYSGVJTAQAGN-GXTWGEPZSA-N 1 0 318.352 2.808 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000150940989 426268405 /nfs/dbraw/zinc/26/84/05/426268405.db2.gz IPKALOOEPVHOFW-ZDUSSCGKSA-N 1 0 320.393 2.694 20 5 DFBDRO O=[N+]([O-])c1ccc(OC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000119195815 426269614 /nfs/dbraw/zinc/26/96/14/426269614.db2.gz YWTNSCSQUCGMLS-IAGOWNOFSA-N 1 0 320.389 2.742 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175258759 426292692 /nfs/dbraw/zinc/29/26/92/426292692.db2.gz NGURTVPDHFNKMK-CQSZACIVSA-N 1 0 321.421 2.767 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)c1ccccc1 ZINC000090538166 426328174 /nfs/dbraw/zinc/32/81/74/426328174.db2.gz VDRLSAJVMWZYBF-ZDUSSCGKSA-N 1 0 302.378 2.747 20 5 DFBDRO Cc1cc(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc([N+](=O)[O-])c1 ZINC000175795040 426328371 /nfs/dbraw/zinc/32/83/71/426328371.db2.gz HYQLXEZYPUOYTH-LBPRGKRZSA-N 1 0 307.394 2.609 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCn1ccnc1)C1CC1 ZINC000151112765 426278698 /nfs/dbraw/zinc/27/86/98/426278698.db2.gz HYRZKTUGIXNRQT-MRXNPFEDSA-N 1 0 314.389 2.792 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000175161819 426283841 /nfs/dbraw/zinc/28/38/41/426283841.db2.gz QRSCQQWPIPRTRD-INIZCTEOSA-N 1 0 319.405 2.664 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000175156868 426283911 /nfs/dbraw/zinc/28/39/11/426283911.db2.gz PGXBGSNLHOACJU-DGCLKSJQSA-N 1 0 306.366 2.589 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[C@@H]3CO)o2)cc1 ZINC000119385364 426284713 /nfs/dbraw/zinc/28/47/13/426284713.db2.gz MSPGIAKCTNBBEO-CQSZACIVSA-N 1 0 302.330 2.812 20 5 DFBDRO CSC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000153675827 426399136 /nfs/dbraw/zinc/39/91/36/426399136.db2.gz DIJKNFLCCUHANJ-WFASDCNBSA-N 1 0 312.435 2.620 20 5 DFBDRO Cn1cc(C[N@H+](C)CC2CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000122883507 426402078 /nfs/dbraw/zinc/40/20/78/426402078.db2.gz SDNOTGGAWLETHJ-UHFFFAOYSA-N 1 0 300.362 2.837 20 5 DFBDRO Cc1cc(NCCn2cc([N+](=O)[O-])cn2)c2cc(F)ccc2[nH+]1 ZINC000152551299 426345975 /nfs/dbraw/zinc/34/59/75/426345975.db2.gz OERRITTWIKKDNP-UHFFFAOYSA-N 1 0 315.308 2.899 20 5 DFBDRO COc1cc(C(=O)Nc2ccc(C)nc2C)ccc1[N+](=O)[O-] ZINC000121606475 426351534 /nfs/dbraw/zinc/35/15/34/426351534.db2.gz KCUYVKBYJKBDLT-UHFFFAOYSA-N 1 0 301.302 2.868 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCc1ccccn1 ZINC000176128769 426355011 /nfs/dbraw/zinc/35/50/11/426355011.db2.gz BPETTWBDLNQRQO-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000122131373 426360130 /nfs/dbraw/zinc/36/01/30/426360130.db2.gz PVNIWKMZHDQRRK-GFCCVEGCSA-N 1 0 321.377 2.866 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153223203 426376079 /nfs/dbraw/zinc/37/60/79/426376079.db2.gz ZPFCPGNUKPUGPS-YNEHKIRRSA-N 1 0 303.362 2.654 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[NH+]3C[C@@H]4CCC[C@H]4C3)n2)cc1 ZINC000153273344 426378852 /nfs/dbraw/zinc/37/88/52/426378852.db2.gz NJQNWFJSNRUHNW-STQMWFEESA-N 1 0 314.345 2.877 20 5 DFBDRO CC(C)CC[NH+]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])CC1 ZINC000153589782 426393272 /nfs/dbraw/zinc/39/32/72/426393272.db2.gz VTQDKFINQAWLSR-UHFFFAOYSA-N 1 0 312.801 2.811 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000123062935 426411566 /nfs/dbraw/zinc/41/15/66/426411566.db2.gz IJOKBUCPHSYNKI-CQSZACIVSA-N 1 0 319.405 2.816 20 5 DFBDRO CCOC(=O)N[C@@H]1CCCN(Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000153975210 426415809 /nfs/dbraw/zinc/41/58/09/426415809.db2.gz FYUREFYIRCAXPO-CQSZACIVSA-N 1 0 321.377 2.614 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123299027 426424960 /nfs/dbraw/zinc/42/49/60/426424960.db2.gz DIDZDWUJYSNJDN-OCCSQVGLSA-N 1 0 307.394 2.518 20 5 DFBDRO Cc1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc([N+](=O)[O-])c1 ZINC000176932740 426426399 /nfs/dbraw/zinc/42/63/99/426426399.db2.gz RYPIHVWNAGZTCL-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H](C)[NH2+]1 ZINC000154163381 426427744 /nfs/dbraw/zinc/42/77/44/426427744.db2.gz JVEOOKPSSHNQEY-TXEJJXNPSA-N 1 0 319.405 2.715 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000176963539 426428626 /nfs/dbraw/zinc/42/86/26/426428626.db2.gz QDEWSUZXESLAGF-SCOAYWHSSA-N 1 0 317.389 2.551 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123349858 426429071 /nfs/dbraw/zinc/42/90/71/426429071.db2.gz BEPIJYQIZMEMLF-TXEJJXNPSA-N 1 0 321.377 2.805 20 5 DFBDRO CC[C@](C)(O)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000123625891 426444438 /nfs/dbraw/zinc/44/44/38/426444438.db2.gz SGAZFNHENFBQII-INIZCTEOSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@@]1(C)COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340869174 269024845 /nfs/dbraw/zinc/02/48/45/269024845.db2.gz KXNZMRGLFCXZNH-INIZCTEOSA-N 1 0 308.378 2.865 20 5 DFBDRO CC[C@]1(C)COCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000340869175 269024942 /nfs/dbraw/zinc/02/49/42/269024942.db2.gz KXNZMRGLFCXZNH-MRXNPFEDSA-N 1 0 308.378 2.865 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000340880057 269026115 /nfs/dbraw/zinc/02/61/15/269026115.db2.gz LCTCBSCCGKRVOV-ZFWWWQNUSA-N 1 0 307.369 2.793 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1csc([N+](=O)[O-])c1 ZINC000341066033 269037926 /nfs/dbraw/zinc/03/79/26/269037926.db2.gz VSPHTPDIGKTXLS-PHIMTYICSA-N 1 0 311.407 2.649 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000341151832 269048716 /nfs/dbraw/zinc/04/87/16/269048716.db2.gz ZYVMRYLPRGNFQD-KRWDZBQOSA-N 1 0 303.406 2.698 20 5 DFBDRO C[C@H]([N@H+](C)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000177242494 426459460 /nfs/dbraw/zinc/45/94/60/426459460.db2.gz METKULGFNWRHPU-LBPRGKRZSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000177250315 426460594 /nfs/dbraw/zinc/46/05/94/426460594.db2.gz LOEOOYCSPKHXCK-LLVKDONJSA-N 1 0 321.377 2.662 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c(F)cccc1[N+](=O)[O-] ZINC000177344584 426470014 /nfs/dbraw/zinc/47/00/14/426470014.db2.gz RAKOMLYLXTVPRZ-OLZOCXBDSA-N 1 0 307.369 2.793 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410141 426470838 /nfs/dbraw/zinc/47/08/38/426470838.db2.gz CYLSPINEKLKUSF-VXGBXAGGSA-N 1 0 323.418 2.521 20 5 DFBDRO Cc1sc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000155410481 426471110 /nfs/dbraw/zinc/47/11/10/426471110.db2.gz CYLSPINEKLKUSF-RYUDHWBXSA-N 1 0 323.418 2.521 20 5 DFBDRO CCc1ccc(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000155430447 426471327 /nfs/dbraw/zinc/47/13/27/426471327.db2.gz HSEGGJICVOSJAC-WFASDCNBSA-N 1 0 319.405 2.616 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177462197 426480875 /nfs/dbraw/zinc/48/08/75/426480875.db2.gz DRESLXFMWFHJHB-CABCVRRESA-N 1 0 319.405 2.760 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000264163167 426509271 /nfs/dbraw/zinc/50/92/71/426509271.db2.gz IRDVMRCLTUDCBE-LLVKDONJSA-N 1 0 318.377 2.536 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@H](C)C[NH2+]1 ZINC000272539753 426551519 /nfs/dbraw/zinc/55/15/19/426551519.db2.gz JLXAACCJVFEKMM-VXGBXAGGSA-N 1 0 319.405 2.715 20 5 DFBDRO O=C(C[NH+]1C[C@@H]2CCCC[C@H]2C1)Nc1ccccc1[N+](=O)[O-] ZINC000177545418 426493781 /nfs/dbraw/zinc/49/37/81/426493781.db2.gz OYRSLUCPDIFARM-STQMWFEESA-N 1 0 303.362 2.655 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177584811 426497615 /nfs/dbraw/zinc/49/76/15/426497615.db2.gz HHSYEWGCPHEHOD-CHWSQXEVSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccccc2)cc1[N+](=O)[O-] ZINC000265105022 426582900 /nfs/dbraw/zinc/58/29/00/426582900.db2.gz AMGOKEZSRDEDIP-QGZVFWFLSA-N 1 0 300.358 2.901 20 5 DFBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273112710 426595611 /nfs/dbraw/zinc/59/56/11/426595611.db2.gz GNNRJFGUIVGIKP-MCIONIFRSA-N 1 0 308.378 2.597 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000280601618 426611115 /nfs/dbraw/zinc/61/11/15/426611115.db2.gz YGZGPIJFOALAPR-GRDNDAEWSA-N 1 0 320.389 2.672 20 5 DFBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000273212712 426616204 /nfs/dbraw/zinc/61/62/04/426616204.db2.gz LULYCBUTOBVKIK-NSHDSACASA-N 1 0 305.378 2.651 20 5 DFBDRO C[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)[C@@H](C)C[NH2+]1 ZINC000272562029 426558114 /nfs/dbraw/zinc/55/81/14/426558114.db2.gz LVHGZVRRWLHYEC-UWVGGRQHSA-N 1 0 319.386 2.632 20 5 DFBDRO COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000280381178 426562479 /nfs/dbraw/zinc/56/24/79/426562479.db2.gz UETVQQVWOAADSC-CORIIIEPSA-N 1 0 306.362 2.662 20 5 DFBDRO COCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000273274947 426631392 /nfs/dbraw/zinc/63/13/92/426631392.db2.gz MXARQNOKMPFGGW-GJZGRUSLSA-N 1 0 320.345 2.589 20 5 DFBDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000273369317 426652514 /nfs/dbraw/zinc/65/25/14/426652514.db2.gz GMPGPRXZPDLIMR-UHFFFAOYSA-N 1 0 324.356 2.539 20 5 DFBDRO COc1ccc(C[NH2+]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000265603367 426660182 /nfs/dbraw/zinc/66/01/82/426660182.db2.gz MDIUTKXIWTYBMS-UHFFFAOYSA-N 1 0 307.375 2.782 20 5 DFBDRO [NH3+]C1(CNc2ccc(Br)cc2[N+](=O)[O-])CCC1 ZINC000236184608 426663089 /nfs/dbraw/zinc/66/30/89/426663089.db2.gz FWGBHNADLKIKOH-UHFFFAOYSA-N 1 0 300.156 2.651 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273468254 426669212 /nfs/dbraw/zinc/66/92/12/426669212.db2.gz NZBBXHUZJRHBPS-UHFFFAOYSA-N 1 0 312.345 2.587 20 5 DFBDRO CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1cccc([N+](=O)[O-])c1 ZINC000178674620 426672451 /nfs/dbraw/zinc/67/24/51/426672451.db2.gz QQGXNHXJDSFYQC-HUUCEWRRSA-N 1 0 305.378 2.645 20 5 DFBDRO C[C@H](CCO)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000265679930 426673728 /nfs/dbraw/zinc/67/37/28/426673728.db2.gz ZOIIUZQTQMMIOT-SNVBAGLBSA-N 1 0 307.375 2.579 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C(C)C)cc1[N+](=O)[O-] ZINC000178682857 426674216 /nfs/dbraw/zinc/67/42/16/426674216.db2.gz SDJMJKBFNCMKJI-CHWSQXEVSA-N 1 0 307.394 2.809 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227694539 426628053 /nfs/dbraw/zinc/62/80/53/426628053.db2.gz LKFVOBLZFLHFEG-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cc1O ZINC000289329791 426629602 /nfs/dbraw/zinc/62/96/02/426629602.db2.gz GOWNEOLMZPULIV-UHFFFAOYSA-N 1 0 316.357 2.984 20 5 DFBDRO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178447902 426630043 /nfs/dbraw/zinc/63/00/43/426630043.db2.gz AYQSLHQVEOADMI-BLLLJJGKSA-N 1 0 316.357 2.988 20 5 DFBDRO CC[NH+](CC)Cc1cccc(CNc2ncc([N+](=O)[O-])cn2)c1 ZINC000273577401 426690936 /nfs/dbraw/zinc/69/09/36/426690936.db2.gz FHCMEXSQQHMTIH-UHFFFAOYSA-N 1 0 315.377 2.839 20 5 DFBDRO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1[N+](=O)[O-] ZINC000273694340 426710135 /nfs/dbraw/zinc/71/01/35/426710135.db2.gz HNVNRYDUAHFBHL-NSHDSACASA-N 1 0 314.345 2.547 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)[C@]12CCCO2 ZINC000273620519 426698583 /nfs/dbraw/zinc/69/85/83/426698583.db2.gz QNNSHRPTTFHNJM-GVDBMIGSSA-N 1 0 320.389 2.719 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1CCOc1ccccc1[N+](=O)[O-] ZINC000245441336 426739350 /nfs/dbraw/zinc/73/93/50/426739350.db2.gz VHNSCIZZVOVJPT-CABCVRRESA-N 1 0 319.405 2.532 20 5 DFBDRO CCc1ccc(C(=O)N(C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000281664317 426740008 /nfs/dbraw/zinc/74/00/08/426740008.db2.gz JFPCBVILNOJCJT-UHFFFAOYSA-N 1 0 319.405 2.715 20 5 DFBDRO COc1cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000274311734 426740122 /nfs/dbraw/zinc/74/01/22/426740122.db2.gz MNSGAUUTEOZVQQ-CVEARBPZSA-N 1 0 324.352 2.790 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N(C)CCC[NH+]1CCCC1 ZINC000281910136 426789060 /nfs/dbraw/zinc/78/90/60/426789060.db2.gz PUIZMOUZAIGUQH-UHFFFAOYSA-N 1 0 307.394 2.663 20 5 DFBDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3C)C2)c1 ZINC000290380753 426754320 /nfs/dbraw/zinc/75/43/20/426754320.db2.gz BBDITUVSEXMTCK-INIZCTEOSA-N 1 0 300.362 2.855 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000266687703 426761291 /nfs/dbraw/zinc/76/12/91/426761291.db2.gz CPWUTHRURUEVJE-KGLIPLIRSA-N 1 0 304.394 2.750 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266693153 426762431 /nfs/dbraw/zinc/76/24/31/426762431.db2.gz AZIQZTHTNVZSSU-UHFFFAOYSA-N 1 0 316.361 2.576 20 5 DFBDRO Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000188968588 426805784 /nfs/dbraw/zinc/80/57/84/426805784.db2.gz YWMBMHUQOCHEEJ-KRWDZBQOSA-N 1 0 314.385 2.905 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1O ZINC000246390456 426827994 /nfs/dbraw/zinc/82/79/94/426827994.db2.gz KUENEFIPKNAOFN-QEWYBTABSA-N 1 0 304.390 2.809 20 5 DFBDRO COCCn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000281929076 426795012 /nfs/dbraw/zinc/79/50/12/426795012.db2.gz AXIKNAUDEPODHW-ZDUSSCGKSA-N 1 0 318.377 2.597 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(Cl)cc(Cl)c1[N+](=O)[O-])[NH+](C)C ZINC000291562595 426914766 /nfs/dbraw/zinc/91/47/66/426914766.db2.gz YBMFZPCNMDOJCD-ZETCQYMHSA-N 1 0 320.176 2.582 20 5 DFBDRO CCOCCC[N@@H+]1CC[C@@H](Nc2ncccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246932396 426879967 /nfs/dbraw/zinc/87/99/67/426879967.db2.gz XBLAWABBXXSSKU-UONOGXRCSA-N 1 0 322.409 2.539 20 5 DFBDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246997292 426888681 /nfs/dbraw/zinc/88/86/81/426888681.db2.gz KMIDKJYSDFKBDR-XQQFMLRXSA-N 1 0 307.394 2.857 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H](O)c1ccccc1F ZINC000282358877 426892106 /nfs/dbraw/zinc/89/21/06/426892106.db2.gz DAOUHWPLLLONFH-KRWDZBQOSA-N 1 0 318.348 2.942 20 5 DFBDRO CCC1(CC)CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000268050106 426899979 /nfs/dbraw/zinc/89/99/79/426899979.db2.gz UUWUFVZEQSXVJQ-UHFFFAOYSA-N 1 0 305.378 2.706 20 5 DFBDRO CC(C)c1ccc(C(=O)NCC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000189592248 426900438 /nfs/dbraw/zinc/90/04/38/426900438.db2.gz UYSYMCKNQLIAJY-UHFFFAOYSA-N 1 0 319.405 2.790 20 5 DFBDRO CC1CC[NH+](CCn2cc([N+](=O)[O-])c(=O)c3ccccc32)CC1 ZINC000291547197 426911981 /nfs/dbraw/zinc/91/19/81/426911981.db2.gz AJVCJIRTXBYRRJ-UHFFFAOYSA-N 1 0 315.373 2.642 20 5 DFBDRO CC[C@H]([NH2+]CC1(OC)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000181548658 426962632 /nfs/dbraw/zinc/96/26/32/426962632.db2.gz PALLBPJDHGHKPI-HNNXBMFYSA-N 1 0 308.378 2.831 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1C ZINC000248399971 426994531 /nfs/dbraw/zinc/99/45/31/426994531.db2.gz PKUNAISVHJJHKJ-WBVHZDCISA-N 1 0 303.406 2.962 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)C1(C)C ZINC000181695379 426976750 /nfs/dbraw/zinc/97/67/50/426976750.db2.gz WQAZNABRQVADOH-CABCVRRESA-N 1 0 308.378 2.897 20 5 DFBDRO COc1cc(C[NH2+]CCc2ccco2)c([N+](=O)[O-])cc1OC ZINC000337832403 426989605 /nfs/dbraw/zinc/98/96/05/426989605.db2.gz BLMPIKTYLBPUIP-UHFFFAOYSA-N 1 0 306.318 2.537 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247331651 426927661 /nfs/dbraw/zinc/92/76/61/426927661.db2.gz ISPDZGGQDJAQTD-BBRMVZONSA-N 1 0 319.405 2.706 20 5 DFBDRO CC(=O)c1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC000268158126 426929620 /nfs/dbraw/zinc/92/96/20/426929620.db2.gz OACANTCUCLXCIC-ZUZCIYMTSA-N 1 0 303.362 2.692 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCC(C)(C)O2)c([N+](=O)[O-])cc1OC ZINC000189734076 426935871 /nfs/dbraw/zinc/93/58/71/426935871.db2.gz GNBFJBOKNMDIPI-LBPRGKRZSA-N 1 0 324.377 2.659 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181298812 426935873 /nfs/dbraw/zinc/93/58/73/426935873.db2.gz CFKRXLUNHGLVBS-LBPRGKRZSA-N 1 0 314.345 2.588 20 5 DFBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000248374516 426993563 /nfs/dbraw/zinc/99/35/63/426993563.db2.gz REFDPUZOAXQQII-RBSFLKMASA-N 1 0 322.405 2.845 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276150342 426995412 /nfs/dbraw/zinc/99/54/12/426995412.db2.gz CHLZTQVTBAFDJC-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO CN(C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000291840776 427003127 /nfs/dbraw/zinc/00/31/27/427003127.db2.gz TXDNLJCOPUUTOE-INIZCTEOSA-N 1 0 323.368 2.770 20 5 DFBDRO CCc1ccc(C(=O)N(CC)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000276204886 427006681 /nfs/dbraw/zinc/00/66/81/427006681.db2.gz KNHDMCJWXACXDV-UHFFFAOYSA-N 1 0 307.394 2.571 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000276196842 427006701 /nfs/dbraw/zinc/00/67/01/427006701.db2.gz IFKWHAJFZVSHOM-CYBMUJFWSA-N 1 0 322.409 2.639 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337870999 427010952 /nfs/dbraw/zinc/01/09/52/427010952.db2.gz NRBLGOSLSWYOEV-GJZGRUSLSA-N 1 0 319.405 2.710 20 5 DFBDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295832579 427017394 /nfs/dbraw/zinc/01/73/94/427017394.db2.gz WEJBUCJKDVRQDG-BDAKNGLRSA-N 1 0 306.284 2.720 20 5 DFBDRO Cc1nc(N2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000268450079 427020390 /nfs/dbraw/zinc/02/03/90/427020390.db2.gz FPVCAAUPAPHBDS-MRXNPFEDSA-N 1 0 312.373 2.791 20 5 DFBDRO CCC(CC)(CC(=O)OC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000268460282 427023447 /nfs/dbraw/zinc/02/34/47/427023447.db2.gz KIKRZWNDVHVLGR-UHFFFAOYSA-N 1 0 312.341 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1F ZINC000276286976 427027965 /nfs/dbraw/zinc/02/79/65/427027965.db2.gz GZPMUVLGWCQGFY-UHFFFAOYSA-N 1 0 304.325 2.837 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](n3cccn3)C2)ccc1[N+](=O)[O-] ZINC000291929830 427031008 /nfs/dbraw/zinc/03/10/08/427031008.db2.gz SVWFOOOBUKEZEI-AWEZNQCLSA-N 1 0 316.361 2.637 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268518410 427042259 /nfs/dbraw/zinc/04/22/59/427042259.db2.gz ZIYGZOSPDCWUIU-MRXNPFEDSA-N 1 0 312.373 2.701 20 5 DFBDRO CO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000296007052 427044345 /nfs/dbraw/zinc/04/43/45/427044345.db2.gz MKUUHRWERGTRJY-HNNXBMFYSA-N 1 0 308.378 2.721 20 5 DFBDRO C[C@H](CO)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000276431517 427064810 /nfs/dbraw/zinc/06/48/10/427064810.db2.gz JWWSHWNTIYERKP-CYBMUJFWSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C(C)=O)c2)C1 ZINC000283777867 427074278 /nfs/dbraw/zinc/07/42/78/427074278.db2.gz PWIXZAJNQRKTST-CYBMUJFWSA-N 1 0 305.378 2.575 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1cccc([N+](=O)[O-])c1C ZINC000276481897 427079261 /nfs/dbraw/zinc/07/92/61/427079261.db2.gz ZXRMPAIPPNGONG-UHFFFAOYSA-N 1 0 307.394 2.707 20 5 DFBDRO Cc1sccc1CN1CCN(c2ncccc2[N+](=O)[O-])CC1 ZINC000296117458 427081075 /nfs/dbraw/zinc/08/10/75/427081075.db2.gz VGXHZNANVTZRHZ-UHFFFAOYSA-N 1 0 318.402 2.682 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000283886440 427092929 /nfs/dbraw/zinc/09/29/29/427092929.db2.gz AVBGFJIDHICXOX-OAHLLOKOSA-N 1 0 323.349 2.630 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182562328 427099965 /nfs/dbraw/zinc/09/99/65/427099965.db2.gz IADJIPZEVBNDMQ-RYUDHWBXSA-N 1 0 322.386 2.747 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000249262117 427102226 /nfs/dbraw/zinc/10/22/26/427102226.db2.gz HGGAQXGWAYVOHT-SWLSCSKDSA-N 1 0 316.405 2.630 20 5 DFBDRO COc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000268735835 427105241 /nfs/dbraw/zinc/10/52/41/427105241.db2.gz DFKYDUUPFQDJES-PXAZEXFGSA-N 1 0 316.357 2.988 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])o1 ZINC000182603505 427110690 /nfs/dbraw/zinc/11/06/90/427110690.db2.gz NBLCZGUXPTUGQW-CHWSQXEVSA-N 1 0 320.345 2.587 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000249517002 427122091 /nfs/dbraw/zinc/12/20/91/427122091.db2.gz GMUQWZUTSVCYKM-AGIUHOORSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000249531794 427124979 /nfs/dbraw/zinc/12/49/79/427124979.db2.gz ZMASXSPBCPEROE-QWHCGFSZSA-N 1 0 320.393 2.837 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000338066964 427125410 /nfs/dbraw/zinc/12/54/10/427125410.db2.gz KHVWOEMTVPEHGG-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO COCC(C)(C)[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000292193769 427127537 /nfs/dbraw/zinc/12/75/37/427127537.db2.gz RQBLOZJPIKZGDH-UHFFFAOYSA-N 1 0 323.393 2.589 20 5 DFBDRO C[C@H]1CN(C(=O)c2csc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292227544 427136651 /nfs/dbraw/zinc/13/66/51/427136651.db2.gz CBSWGRIDSGPFGO-LLVKDONJSA-N 1 0 323.418 2.603 20 5 DFBDRO COCC[N@@H+]1CCN([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000182751404 427139168 /nfs/dbraw/zinc/13/91/68/427139168.db2.gz NQGSZTYMFSSKQH-HUUCEWRRSA-N 1 0 321.421 2.617 20 5 DFBDRO Cc1cc([C@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c(C)s1 ZINC000182765634 427141376 /nfs/dbraw/zinc/14/13/76/427141376.db2.gz JUHRXTKDVSXZBQ-NSHDSACASA-N 1 0 321.402 2.786 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000182761326 427141409 /nfs/dbraw/zinc/14/14/09/427141409.db2.gz BLHGKDFWRCEJDX-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO CS[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000296311700 427145709 /nfs/dbraw/zinc/14/57/09/427145709.db2.gz OFBWUVDXUYSMHP-CYBMUJFWSA-N 1 0 323.418 2.669 20 5 DFBDRO CCn1ccnc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000296316942 427148361 /nfs/dbraw/zinc/14/83/61/427148361.db2.gz GQXBQFRUEFOPFI-CYBMUJFWSA-N 1 0 302.378 2.922 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284197346 427154767 /nfs/dbraw/zinc/15/47/67/427154767.db2.gz RXPCLNFNZKRKOX-SNVBAGLBSA-N 1 0 309.366 2.559 20 5 DFBDRO CC[NH+](CC)[C@@H]1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)C1 ZINC000174171749 271130183 /nfs/dbraw/zinc/13/01/83/271130183.db2.gz DLDWCWXTNDDETN-OJXHRBAXSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000175042115 271145329 /nfs/dbraw/zinc/14/53/29/271145329.db2.gz OKLQPZXGGKRBDN-GOEBONIOSA-N 1 0 319.405 2.662 20 5 DFBDRO Cc1cccc(C[C@@H](CO)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000189021094 271203251 /nfs/dbraw/zinc/20/32/51/271203251.db2.gz NZOPXANBHMQLNL-INIZCTEOSA-N 1 0 300.358 2.596 20 5 DFBDRO CC[N@H+](CCNC(=O)c1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000189700738 271205835 /nfs/dbraw/zinc/20/58/35/271205835.db2.gz WYYCSQYJWXXBOA-UHFFFAOYSA-N 1 0 319.405 2.932 20 5 DFBDRO CCOC(=O)N1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000236882458 271241318 /nfs/dbraw/zinc/24/13/18/271241318.db2.gz HQQCHWGAFBDCCH-UHFFFAOYSA-N 1 0 321.377 2.614 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000270494250 271299375 /nfs/dbraw/zinc/29/93/75/271299375.db2.gz DNUWXBALSUOVBI-NSHDSACASA-N 1 0 311.357 2.521 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1COC2(CCCC2)O1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284872640 271340842 /nfs/dbraw/zinc/34/08/42/271340842.db2.gz BASGNDZMHKRWTQ-DGCLKSJQSA-N 1 0 321.377 2.513 20 5 DFBDRO C[N@H+](CCNC(=O)OC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000285397094 427220158 /nfs/dbraw/zinc/22/01/58/427220158.db2.gz SZAHNCMAOLTOQZ-UHFFFAOYSA-N 1 0 323.393 2.594 20 5 DFBDRO CC[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000183029977 427185158 /nfs/dbraw/zinc/18/51/58/427185158.db2.gz GPXCVUMCXSXGBF-RYUDHWBXSA-N 1 0 305.378 2.508 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000277430422 427201141 /nfs/dbraw/zinc/20/11/41/427201141.db2.gz CHYRUHVOPXABIQ-UHFFFAOYSA-N 1 0 324.274 2.910 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000183270390 427235617 /nfs/dbraw/zinc/23/56/17/427235617.db2.gz GFNFDJXRMIHWAR-OAHLLOKOSA-N 1 0 300.362 2.612 20 5 DFBDRO Cc1c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC000285471895 427241923 /nfs/dbraw/zinc/24/19/23/427241923.db2.gz KNSUJMTWCUPFDB-XYPWUTKMSA-N 1 0 303.406 2.960 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cc([N+](=O)[O-])cc(C)c1F ZINC000285472728 427243946 /nfs/dbraw/zinc/24/39/46/427243946.db2.gz QIDQPDLMXFLOFT-LBPRGKRZSA-N 1 0 323.368 2.599 20 5 DFBDRO CN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285481950 427247470 /nfs/dbraw/zinc/24/74/70/427247470.db2.gz BTSIUBITAKJIPO-YIONKMFJSA-N 1 0 318.377 2.684 20 5 DFBDRO Cn1cc(Cl)cc1C[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269667484 427247843 /nfs/dbraw/zinc/24/78/43/427247843.db2.gz SVBSSTQUJOMCHS-HNNXBMFYSA-N 1 0 323.780 2.752 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000293225630 427252068 /nfs/dbraw/zinc/25/20/68/427252068.db2.gz YYYRDIPJVBANFT-MLGOLLRUSA-N 1 0 308.378 2.634 20 5 DFBDRO CCOCCO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000269722141 427260691 /nfs/dbraw/zinc/26/06/91/427260691.db2.gz VKXCLUYWOMUXOM-KBPBESRZSA-N 1 0 308.378 2.783 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000255417203 427266565 /nfs/dbraw/zinc/26/65/65/427266565.db2.gz QYAUGUASUHAATR-CKXPSTMWSA-N 1 0 317.389 2.599 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330671057 427287208 /nfs/dbraw/zinc/28/72/08/427287208.db2.gz MJYOJMIOWKQFMH-GXTWGEPZSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000269758880 427271929 /nfs/dbraw/zinc/27/19/29/427271929.db2.gz ILWWKSQDAFYYDD-KGLIPLIRSA-N 1 0 315.377 2.660 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000183478489 427275910 /nfs/dbraw/zinc/27/59/10/427275910.db2.gz FLKAXCHGFSBUIO-KRWDZBQOSA-N 1 0 300.358 2.901 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000285587531 427283014 /nfs/dbraw/zinc/28/30/14/427283014.db2.gz OSIOPELUWVZBOJ-JSGCOSHPSA-N 1 0 307.369 2.793 20 5 DFBDRO CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000285665636 427304026 /nfs/dbraw/zinc/30/40/26/427304026.db2.gz PZVUCMZWJMZGHL-OAHLLOKOSA-N 1 0 321.377 2.695 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C(C)(C)O)ccc1[N+](=O)[O-] ZINC000331132882 427352938 /nfs/dbraw/zinc/35/29/38/427352938.db2.gz BKIYFTLOJIONPX-HNNXBMFYSA-N 1 0 308.378 2.729 20 5 DFBDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000338440994 427322762 /nfs/dbraw/zinc/32/27/62/427322762.db2.gz VVKJJALDJMFPJO-UHFFFAOYSA-N 1 0 321.421 2.962 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000191338036 427325745 /nfs/dbraw/zinc/32/57/45/427325745.db2.gz KFCHKGTVRXKOTO-UHFFFAOYSA-N 1 0 320.393 2.819 20 5 DFBDRO C[C@@]1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CCO[C@@H]1C1CC1 ZINC000285756610 427329580 /nfs/dbraw/zinc/32/95/80/427329580.db2.gz VUZYBRQGPAWKPV-HUUCEWRRSA-N 1 0 312.316 2.920 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc([N+](=O)[O-])c4cnccc43)C[C@@H]21 ZINC000261911741 427344469 /nfs/dbraw/zinc/34/44/69/427344469.db2.gz QIWPWQOPPZFXBP-TUKIKUTGSA-N 1 0 312.373 2.707 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3ccc4cc([N+](=O)[O-])ccc4n3)C[C@H]21 ZINC000261937095 427348336 /nfs/dbraw/zinc/34/83/36/427348336.db2.gz UBXUTFZTJVWIAJ-NWANDNLSSA-N 1 0 312.373 2.707 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000331121302 427350987 /nfs/dbraw/zinc/35/09/87/427350987.db2.gz PPGIGWOWMXTGNL-MCIONIFRSA-N 1 0 319.405 2.953 20 5 DFBDRO C[C@H](C(=O)OC(C)(C)C)N(C)CCc1cccc([N+](=O)[O-])c1 ZINC000338380606 427290348 /nfs/dbraw/zinc/29/03/48/427290348.db2.gz LMVUEVPWGXYJHI-GFCCVEGCSA-N 1 0 308.378 2.799 20 5 DFBDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285626759 427293602 /nfs/dbraw/zinc/29/36/02/427293602.db2.gz KOSISGHCBPEFCF-WFASDCNBSA-N 1 0 318.377 2.685 20 5 DFBDRO Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)N[C@H](C)CC[NH+](C)C ZINC000277957698 427369583 /nfs/dbraw/zinc/36/95/83/427369583.db2.gz KEUJBQKEOZNOFG-SNVBAGLBSA-N 1 0 313.785 2.627 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](c1ccco1)N(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293632814 427386740 /nfs/dbraw/zinc/38/67/40/427386740.db2.gz HRSNRMMBZNRMRS-ABAIWWIYSA-N 1 0 318.377 2.724 20 5 DFBDRO C[C@@H]([NH2+]CCN1CCC[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293628345 427388961 /nfs/dbraw/zinc/38/89/61/427388961.db2.gz HJGVYOGFVONQJO-QWHCGFSZSA-N 1 0 306.410 2.560 20 5 DFBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000191639588 427396826 /nfs/dbraw/zinc/39/68/26/427396826.db2.gz SQYWKXBEBYZAEJ-QGZVFWFLSA-N 1 0 322.405 2.847 20 5 DFBDRO COc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c(F)cc1[N+](=O)[O-] ZINC000271091781 427401089 /nfs/dbraw/zinc/40/10/89/427401089.db2.gz LDUJTNARXHIZAT-GFCCVEGCSA-N 1 0 323.368 2.807 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000338598107 427402723 /nfs/dbraw/zinc/40/27/23/427402723.db2.gz OLWKMZAURGBXOW-BXUZGUMPSA-N 1 0 305.378 2.611 20 5 DFBDRO COc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(F)cc1[N+](=O)[O-] ZINC000271097696 427404213 /nfs/dbraw/zinc/40/42/13/427404213.db2.gz NNDMKVFHHSKZDC-AAEUAGOBSA-N 1 0 323.368 2.663 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000297445001 427404729 /nfs/dbraw/zinc/40/47/29/427404729.db2.gz IYYOQSHWHDZSSC-WCQYABFASA-N 1 0 315.377 2.534 20 5 DFBDRO CSc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1[N+](=O)[O-] ZINC000293703863 427409802 /nfs/dbraw/zinc/40/98/02/427409802.db2.gz QLTHKSZSDIBYSV-UHFFFAOYSA-N 1 0 311.407 2.564 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1(CO)CC1 ZINC000293546303 427358767 /nfs/dbraw/zinc/35/87/67/427358767.db2.gz KSFIBAJRDYVAGD-UHFFFAOYSA-N 1 0 304.268 2.570 20 5 DFBDRO CO[C@H](C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000338717710 427453216 /nfs/dbraw/zinc/45/32/16/427453216.db2.gz NKAXCDDFCBWFAL-SECBINFHSA-N 1 0 304.293 2.711 20 5 DFBDRO CCOc1ccc([C@H](C)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000293836663 427457134 /nfs/dbraw/zinc/45/71/34/427457134.db2.gz WRXBYQGBMLZASN-STQMWFEESA-N 1 0 309.410 2.842 20 5 DFBDRO CC(=O)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000286233162 427460181 /nfs/dbraw/zinc/46/01/81/427460181.db2.gz OGARXBIRVSILQB-XJKSGUPXSA-N 1 0 317.389 2.718 20 5 DFBDRO CC[N@H+](CCNC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)C(C)C ZINC000338767264 427476485 /nfs/dbraw/zinc/47/64/85/427476485.db2.gz PUSBYGYEDMEJGW-UHFFFAOYSA-N 1 0 318.377 2.536 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000184533859 427480727 /nfs/dbraw/zinc/48/07/27/427480727.db2.gz HTZGNWWCUKYQRI-LBPRGKRZSA-N 1 0 308.378 2.807 20 5 DFBDRO C[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCO1 ZINC000271298304 427486697 /nfs/dbraw/zinc/48/66/97/427486697.db2.gz UBWRJGPQLPEMOI-ONGXEEELSA-N 1 0 316.304 2.853 20 5 DFBDRO CCOC[C@H]1CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000184229335 427419937 /nfs/dbraw/zinc/41/99/37/427419937.db2.gz BEDRSTYYNJYWNI-NSHDSACASA-N 1 0 312.341 2.601 20 5 DFBDRO COc1cc(C[N@H+](C)CCc2ccncc2)c([N+](=O)[O-])cc1F ZINC000184293592 427431064 /nfs/dbraw/zinc/43/10/64/427431064.db2.gz PECZJDGGDVEXLB-UHFFFAOYSA-N 1 0 319.336 2.812 20 5 DFBDRO Nc1ccc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c([N+](=O)[O-])c1 ZINC000286323708 427492816 /nfs/dbraw/zinc/49/28/16/427492816.db2.gz UXGRWRBPLWWYAF-DOMZBBRYSA-N 1 0 316.405 2.630 20 5 DFBDRO COC(=O)c1coc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000278908160 427495966 /nfs/dbraw/zinc/49/59/66/427495966.db2.gz ZXKWAEPVYUBCDS-NSHDSACASA-N 1 0 318.329 2.868 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NCCC[NH+]1CCC(O)CC1 ZINC000286362244 427504643 /nfs/dbraw/zinc/50/46/43/427504643.db2.gz LOQFMZQTYZVWAP-UHFFFAOYSA-N 1 0 313.785 2.507 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000271352460 427507388 /nfs/dbraw/zinc/50/73/88/427507388.db2.gz HSLPBMJXWQZRHH-STQMWFEESA-N 1 0 308.378 2.898 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000271368595 427514435 /nfs/dbraw/zinc/51/44/35/427514435.db2.gz JKDWOGCXKLPBSE-VXGBXAGGSA-N 1 0 324.377 2.517 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000271434420 427535228 /nfs/dbraw/zinc/53/52/28/427535228.db2.gz DLVMJSZSPJJZIA-BXKDBHETSA-N 1 0 306.284 2.867 20 5 DFBDRO O=C(Cc1ccccc1[N+](=O)[O-])NCCCCC[NH+]1CCCC1 ZINC000294053382 427535673 /nfs/dbraw/zinc/53/56/73/427535673.db2.gz YJNWNAGWMPJLNO-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO C[NH+](C)CCN(Cc1ccc(F)cc1)c1ncc([N+](=O)[O-])s1 ZINC000192488587 427551854 /nfs/dbraw/zinc/55/18/54/427551854.db2.gz QAXVTJOTVMKFFI-UHFFFAOYSA-N 1 0 324.381 2.759 20 5 DFBDRO C[C@@H]1C[N@H+](C)CCN1Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338993678 427612053 /nfs/dbraw/zinc/61/20/53/427612053.db2.gz WWVNWHYWJLVESI-SNVBAGLBSA-N 1 0 317.311 2.750 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)[C@@H](O)c1ccccc1 ZINC000294302109 427614678 /nfs/dbraw/zinc/61/46/78/427614678.db2.gz NKQDPLPTZBVIFJ-XWCIJXRUSA-N 1 0 315.373 2.950 20 5 DFBDRO Cc1noc(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000271487022 427557541 /nfs/dbraw/zinc/55/75/41/427557541.db2.gz OHLLCSPMOOCBPN-LLVKDONJSA-N 1 0 304.350 2.878 20 5 DFBDRO COc1cc(CNc2ccc(C)nc2C)c([N+](=O)[O-])cc1O ZINC000184896754 427559802 /nfs/dbraw/zinc/55/98/02/427559802.db2.gz KOXJDVVZVDTDMC-UHFFFAOYSA-N 1 0 303.318 2.933 20 5 DFBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H](O)Cc1ccccc1 ZINC000298295558 427561154 /nfs/dbraw/zinc/56/11/54/427561154.db2.gz UJJNLRZTQAIAKI-QGZVFWFLSA-N 1 0 300.358 2.630 20 5 DFBDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000279154154 427579375 /nfs/dbraw/zinc/57/93/75/427579375.db2.gz ZDERIQOFCMNDTO-OCCSQVGLSA-N 1 0 314.769 2.532 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000332341367 427584139 /nfs/dbraw/zinc/58/41/39/427584139.db2.gz QZQUHAFCFVSLMO-QWHCGFSZSA-N 1 0 315.377 2.962 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000192680799 427585612 /nfs/dbraw/zinc/58/56/12/427585612.db2.gz PMYCNCPJYRUFHT-ZDUSSCGKSA-N 1 0 309.414 2.509 20 5 DFBDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000287381163 427596527 /nfs/dbraw/zinc/59/65/27/427596527.db2.gz BFZKTSUTIQKGAP-WFASDCNBSA-N 1 0 318.377 2.685 20 5 DFBDRO CS[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1[NH+](C)C ZINC000272034211 427605918 /nfs/dbraw/zinc/60/59/18/427605918.db2.gz NKKVGOAXZUHHJK-TUKIKUTGSA-N 1 0 309.435 2.633 20 5 DFBDRO CCN(CCC[NH+](CC)CC)c1c([N+](=O)[O-])c(C)nn1CC ZINC000192885147 427629920 /nfs/dbraw/zinc/62/99/20/427629920.db2.gz ZBRZTGZLKUUXSH-UHFFFAOYSA-N 1 0 311.430 2.678 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000287535742 427631821 /nfs/dbraw/zinc/63/18/21/427631821.db2.gz DUNODYPEXJJOIJ-DGCLKSJQSA-N 1 0 318.295 2.837 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000264024828 427636920 /nfs/dbraw/zinc/63/69/20/427636920.db2.gz XYOHZCSLOQOYJF-NVXWUHKLSA-N 1 0 320.389 2.599 20 5 DFBDRO Cc1cc([C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)C2CC2)ccc1F ZINC000272145281 427649618 /nfs/dbraw/zinc/64/96/18/427649618.db2.gz YWBLYDIPWICGHU-MRXNPFEDSA-N 1 0 318.352 2.980 20 5 DFBDRO Cc1cccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000343069203 272081786 /nfs/dbraw/zinc/08/17/86/272081786.db2.gz XMBIRQXGLOMDHI-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1ccc(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000343313943 272116851 /nfs/dbraw/zinc/11/68/51/272116851.db2.gz IZJDYDOSOCDTGC-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H]([NH2+]C(C)(C)CNc1ccncc1[N+](=O)[O-])c1ccccc1 ZINC000343570565 272173055 /nfs/dbraw/zinc/17/30/55/272173055.db2.gz XWJNYFFPIAIWLT-ZDUSSCGKSA-N 1 0 314.389 2.953 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(CC)c([N+](=O)[O-])c1 ZINC000343665525 272197647 /nfs/dbraw/zinc/19/76/47/272197647.db2.gz MTDLXCGKXOZVLY-OAHLLOKOSA-N 1 0 319.405 2.761 20 5 DFBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000343910372 272235680 /nfs/dbraw/zinc/23/56/80/272235680.db2.gz KSJREMLMOYCNIB-SNVBAGLBSA-N 1 0 321.406 2.886 20 5 DFBDRO Cc1c(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000343918038 272237496 /nfs/dbraw/zinc/23/74/96/272237496.db2.gz HCUFUMBKMAAYJE-BBRMVZONSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343937640 272240691 /nfs/dbraw/zinc/24/06/91/272240691.db2.gz STBDTBIAPOMHEM-GOEBONIOSA-N 1 0 319.405 2.532 20 5 DFBDRO C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344027722 272251399 /nfs/dbraw/zinc/25/13/99/272251399.db2.gz JETBCGKMYAOYJA-WCQYABFASA-N 1 0 303.362 2.654 20 5 DFBDRO CCC(CC)[N@H+](CC)C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000344048407 272252168 /nfs/dbraw/zinc/25/21/68/272252168.db2.gz YVTDLHZUQAUXGO-CQSZACIVSA-N 1 0 310.394 2.845 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)o1 ZINC000193282135 427681277 /nfs/dbraw/zinc/68/12/77/427681277.db2.gz GCJBLETYOSWSAX-JSGCOSHPSA-N 1 0 320.345 2.587 20 5 DFBDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000193216502 427678131 /nfs/dbraw/zinc/67/81/31/427678131.db2.gz FTMFOBUMNYZEMK-WCQYABFASA-N 1 0 322.386 2.747 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 ZINC000344177201 272280859 /nfs/dbraw/zinc/28/08/59/272280859.db2.gz JNAVLIYISFRBGL-UHFFFAOYSA-N 1 0 323.368 2.586 20 5 DFBDRO C[C@H](CNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000344220687 272290470 /nfs/dbraw/zinc/29/04/70/272290470.db2.gz UWNLCRBKVJXFQD-GFCCVEGCSA-N 1 0 323.368 2.584 20 5 DFBDRO CC[C@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220418 272291090 /nfs/dbraw/zinc/29/10/90/272291090.db2.gz QOPLNBVJRJCQGD-NVXWUHKLSA-N 1 0 317.389 2.822 20 5 DFBDRO CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000344278499 272303022 /nfs/dbraw/zinc/30/30/22/272303022.db2.gz URWXLOJVBZGOIW-XPKDYRNWSA-N 1 0 319.405 2.892 20 5 DFBDRO Cc1ncc(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)c(=O)[nH]1 ZINC000344330476 272314639 /nfs/dbraw/zinc/31/46/39/272314639.db2.gz VFUVSBZLLBXVDC-UHFFFAOYSA-N 1 0 316.361 2.812 20 5 DFBDRO Nc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000193451786 427691804 /nfs/dbraw/zinc/69/18/04/427691804.db2.gz ZMXSKDNURBNLNG-UHFFFAOYSA-N 1 0 304.394 2.632 20 5 DFBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H](O)C(F)F ZINC000295100693 427691892 /nfs/dbraw/zinc/69/18/92/427691892.db2.gz SRZULGORKAOTIG-VAFIWLDWSA-N 1 0 300.305 2.602 20 5 DFBDRO Cc1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ncc1[N+](=O)[O-] ZINC000295108016 427696722 /nfs/dbraw/zinc/69/67/22/427696722.db2.gz UYNPFFDBJFWVOT-AAEUAGOBSA-N 1 0 319.409 2.758 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000193517077 427696885 /nfs/dbraw/zinc/69/68/85/427696885.db2.gz SSSFYQZLMIUTRP-UHFFFAOYSA-N 1 0 323.418 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185861330 427720339 /nfs/dbraw/zinc/72/03/39/427720339.db2.gz SCNMMIJMLFQTFQ-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301345072 427790932 /nfs/dbraw/zinc/79/09/32/427790932.db2.gz KBUFUVNSGKRQMO-JTQLQIEISA-N 1 0 310.354 2.891 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000336874497 427769744 /nfs/dbraw/zinc/76/97/44/427769744.db2.gz ZEAGENMDOSGJAE-OAGGEKHMSA-N 1 0 320.389 2.729 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000336874496 427770011 /nfs/dbraw/zinc/77/00/11/427770011.db2.gz ZEAGENMDOSGJAE-BZUAXINKSA-N 1 0 320.389 2.729 20 5 DFBDRO C[C@H]1C[NH+](CCCNc2cccc(F)c2[N+](=O)[O-])C[C@H](C)O1 ZINC000301072059 427773591 /nfs/dbraw/zinc/77/35/91/427773591.db2.gz FXFZESNEURSQSY-RYUDHWBXSA-N 1 0 311.357 2.645 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301112937 427776184 /nfs/dbraw/zinc/77/61/84/427776184.db2.gz SFYBTQCXVBZKJG-CYBMUJFWSA-N 1 0 320.349 2.568 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])C1CC1 ZINC000301237918 427783505 /nfs/dbraw/zinc/78/35/05/427783505.db2.gz MUJTZEUMWOUHTE-OAHLLOKOSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000301271924 427786144 /nfs/dbraw/zinc/78/61/44/427786144.db2.gz QZMHNDAEQYJEGU-GFCCVEGCSA-N 1 0 308.338 2.789 20 5 DFBDRO CC(=O)c1cc(N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000288025482 427730225 /nfs/dbraw/zinc/73/02/25/427730225.db2.gz WRWRGJGYIVMUAD-IAQYHMDHSA-N 1 0 305.378 2.938 20 5 DFBDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000339209350 427731619 /nfs/dbraw/zinc/73/16/19/427731619.db2.gz NIOQRXWICDQAFN-UFBFGSQYSA-N 1 0 304.268 2.881 20 5 DFBDRO CCCNC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000298949410 427732336 /nfs/dbraw/zinc/73/23/36/427732336.db2.gz OMDKMGPHABFJEE-ZDUSSCGKSA-N 1 0 307.394 2.860 20 5 DFBDRO COC(=O)c1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301576211 427807635 /nfs/dbraw/zinc/80/76/35/427807635.db2.gz MFTRYSUUBODCBZ-AAEUAGOBSA-N 1 0 321.377 2.666 20 5 DFBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2nc3sccn3c2[N+](=O)[O-])C1 ZINC000301603317 427808751 /nfs/dbraw/zinc/80/87/51/427808751.db2.gz KYCZYARNQADSCA-NSHDSACASA-N 1 0 323.422 2.694 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(c2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000301638704 427811542 /nfs/dbraw/zinc/81/15/42/427811542.db2.gz MKWQKTMZQOATPR-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339725577 427818730 /nfs/dbraw/zinc/81/87/30/427818730.db2.gz FWNJVUGQOODMKX-MRXNPFEDSA-N 1 0 322.405 2.880 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H]1CNc1nc2sccn2c1[N+](=O)[O-] ZINC000301775540 427823873 /nfs/dbraw/zinc/82/38/73/427823873.db2.gz NRYSEVJWGHBONB-LLVKDONJSA-N 1 0 323.422 2.836 20 5 DFBDRO COc1cc(NCC[N@@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC000301899339 427834479 /nfs/dbraw/zinc/83/44/79/427834479.db2.gz XVSFQOPESFQKHF-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO COc1cc(N[C@H]2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1OC ZINC000301934983 427844724 /nfs/dbraw/zinc/84/47/24/427844724.db2.gz REBRBMHGUGRLOX-QWRGUYRKSA-N 1 0 309.366 2.507 20 5 DFBDRO CCCN(CC[NH+](CC)CC)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000359450691 427857056 /nfs/dbraw/zinc/85/70/56/427857056.db2.gz MOBOOVPVZWCBCE-UHFFFAOYSA-N 1 0 321.421 2.718 20 5 DFBDRO Cc1nccnc1CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340489457 427860705 /nfs/dbraw/zinc/86/07/05/427860705.db2.gz NQEPADHAAJHYBC-KRWDZBQOSA-N 1 0 312.373 2.903 20 5 DFBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000302744203 427861679 /nfs/dbraw/zinc/86/16/79/427861679.db2.gz DTFACJWWLIMXQO-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CC(C)C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)[NH+](C)C ZINC000302857686 427879477 /nfs/dbraw/zinc/87/94/77/427879477.db2.gz SOVDQZLTJSMWOV-GFCCVEGCSA-N 1 0 306.410 2.951 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777560 427885710 /nfs/dbraw/zinc/88/57/10/427885710.db2.gz CDHAUPBSAANHDX-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)OCC[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000349903763 427893991 /nfs/dbraw/zinc/89/39/91/427893991.db2.gz AXWWYUVQWRSSTA-KRWDZBQOSA-N 1 0 322.405 2.735 20 5 DFBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000355794400 427896509 /nfs/dbraw/zinc/89/65/09/427896509.db2.gz YZNWICZLNVREFB-UTUOFQBUSA-N 1 0 305.378 2.560 20 5 DFBDRO C[C@H]1C[C@@]1([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(Cl)cc1 ZINC000337445888 427909046 /nfs/dbraw/zinc/90/90/46/427909046.db2.gz QBQIMJKRROVPAL-NHYWBVRUSA-N 1 0 320.780 2.970 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000337471706 427922190 /nfs/dbraw/zinc/92/21/90/427922190.db2.gz PVWINZCGHBNIKD-GVXVVHGQSA-N 1 0 321.377 2.709 20 5 DFBDRO CC[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC ZINC000340673928 427922427 /nfs/dbraw/zinc/92/24/27/427922427.db2.gz DNJKRBCTKLJMEX-GFCCVEGCSA-N 1 0 321.377 2.806 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376767755 427995936 /nfs/dbraw/zinc/99/59/36/427995936.db2.gz KKPZHELDCCAZEO-UHFFFAOYSA-N 1 0 300.362 2.726 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000369513549 427984515 /nfs/dbraw/zinc/98/45/15/427984515.db2.gz ZOQXZMFHAFKHEM-UHFFFAOYSA-N 1 0 321.421 2.637 20 5 DFBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc([N+](=O)[O-])cc2F)C1 ZINC000413197436 427988357 /nfs/dbraw/zinc/98/83/57/427988357.db2.gz GRBOZNIFJSXWST-LBPRGKRZSA-N 1 0 310.373 2.909 20 5 DFBDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000346143209 428036561 /nfs/dbraw/zinc/03/65/61/428036561.db2.gz SSQSHKTWBNWMDJ-LLVKDONJSA-N 1 0 307.394 2.572 20 5 DFBDRO CC[N@H+](CCNc1ncc([N+](=O)[O-])cc1F)CCC(F)(F)F ZINC000413265583 428005538 /nfs/dbraw/zinc/00/55/38/428005538.db2.gz OMZFDBRJYYCZCH-UHFFFAOYSA-N 1 0 324.278 2.815 20 5 DFBDRO Cc1c(C[N@H+](C)C[C@H]2CCc3nccn3C2)cccc1[N+](=O)[O-] ZINC000369617749 428017414 /nfs/dbraw/zinc/01/74/14/428017414.db2.gz QXLADPHPGJWPEH-CQSZACIVSA-N 1 0 314.389 2.794 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccoc1 ZINC000341454218 428069458 /nfs/dbraw/zinc/06/94/58/428069458.db2.gz JLJNUTXOIGMOFL-NSHDSACASA-N 1 0 303.318 2.695 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000413534716 428074660 /nfs/dbraw/zinc/07/46/60/428074660.db2.gz RNWOMAHCCGNWHY-AWEZNQCLSA-N 1 0 312.373 2.701 20 5 DFBDRO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369886979 428084286 /nfs/dbraw/zinc/08/42/86/428084286.db2.gz IGABZRNWZIKMAG-NHYWBVRUSA-N 1 0 312.373 2.901 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCCC[N@H+](C)C(C)C ZINC000341529065 428093514 /nfs/dbraw/zinc/09/35/14/428093514.db2.gz HLXFKZYLJIYQMI-UHFFFAOYSA-N 1 0 323.393 2.832 20 5 DFBDRO COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000346290840 428111669 /nfs/dbraw/zinc/11/16/69/428111669.db2.gz AWKMUPBRFCYZMF-UHFFFAOYSA-N 1 0 312.753 2.824 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC[C@H]1c1ccccc1 ZINC000370046246 428119173 /nfs/dbraw/zinc/11/91/73/428119173.db2.gz QMRTWJXFOXXPKF-UKRRQHHQSA-N 1 0 314.389 2.954 20 5 DFBDRO CC(C)[N@H+](C)CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC000352359339 428134484 /nfs/dbraw/zinc/13/44/84/428134484.db2.gz GGMKYYIOJHDHDH-UHFFFAOYSA-N 1 0 302.378 3.285 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3cn[nH]c3)CC2)cc1 ZINC000377498015 428142990 /nfs/dbraw/zinc/14/29/90/428142990.db2.gz VVNYKIAVQWCYQM-UHFFFAOYSA-N 1 0 300.362 2.740 20 5 DFBDRO CCC[NH+]1CCC(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352545118 428145398 /nfs/dbraw/zinc/14/53/98/428145398.db2.gz GASBMMFJCIQHCB-UHFFFAOYSA-N 1 0 321.421 2.910 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH+]2CCC(=Cc3ccccc3)CC2)n1 ZINC000370167653 428150825 /nfs/dbraw/zinc/15/08/25/428150825.db2.gz SHCKKIAWMFEVKW-UHFFFAOYSA-N 1 0 312.373 2.971 20 5 DFBDRO C[N@@H+]1CCCC[C@@H]1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707545 428215669 /nfs/dbraw/zinc/21/56/69/428215669.db2.gz SMSFNENTIWGBMG-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ccc([N+](=O)[O-])cc1 ZINC000377749489 428216176 /nfs/dbraw/zinc/21/61/76/428216176.db2.gz ZUCCXRUMIMKRHQ-XYPHTWIQSA-N 1 0 319.405 2.896 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000370516106 428228703 /nfs/dbraw/zinc/22/87/03/428228703.db2.gz AFSVMYKXWBRMDX-CRAIPNDOSA-N 1 0 312.369 2.980 20 5 DFBDRO CCC[N@@H+](CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)CC(C)C ZINC000346592179 428231578 /nfs/dbraw/zinc/23/15/78/428231578.db2.gz KUGKIBIXTPWTNP-UHFFFAOYSA-N 1 0 319.405 2.852 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000346488552 428192004 /nfs/dbraw/zinc/19/20/04/428192004.db2.gz NOHDLAQKBLWSTF-INIZCTEOSA-N 1 0 313.357 2.952 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000377937972 428265778 /nfs/dbraw/zinc/26/57/78/428265778.db2.gz AKPIGOJYMCAMHX-OAHLLOKOSA-N 1 0 314.389 2.783 20 5 DFBDRO CC[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000414361230 428270738 /nfs/dbraw/zinc/27/07/38/428270738.db2.gz HSJDNYHVSKKVOX-HNNXBMFYSA-N 1 0 317.393 2.635 20 5 DFBDRO C[N@@H+]1C[C@@H]2CN(c3ccc([N+](=O)[O-])cn3)C[C@H]2[C@@H]1c1ccccc1 ZINC000377836661 428243511 /nfs/dbraw/zinc/24/35/11/428243511.db2.gz DDYWDUXXWFAZLZ-KYJSFNMBSA-N 1 0 324.384 2.729 20 5 DFBDRO CS[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@@H]1[NH+](C)C ZINC000352776979 428243767 /nfs/dbraw/zinc/24/37/67/428243767.db2.gz FINULYWTLLYHEN-VBNZEHGJSA-N 1 0 323.462 2.942 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352780024 428246416 /nfs/dbraw/zinc/24/64/16/428246416.db2.gz RCHPITXEWHUOQP-CHWSQXEVSA-N 1 0 307.394 2.518 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1[N+](=O)[O-] ZINC000414331071 428261205 /nfs/dbraw/zinc/26/12/05/428261205.db2.gz CSISNFKDIYPZSR-VXGBXAGGSA-N 1 0 323.393 2.557 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H](CO)c2ccc(F)cc2)cs1 ZINC000414525122 428331459 /nfs/dbraw/zinc/33/14/59/428331459.db2.gz JFAWWSCMYFTVGI-LBPRGKRZSA-N 1 0 310.350 2.661 20 5 DFBDRO Cc1c(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000360526324 428333391 /nfs/dbraw/zinc/33/33/91/428333391.db2.gz FDKUIMWIIKJEEM-OBJOEFQTSA-N 1 0 319.405 2.781 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000273371321 273641517 /nfs/dbraw/zinc/64/15/17/273641517.db2.gz GUOYCQHMFZTIQE-SNVBAGLBSA-N 1 0 312.345 2.586 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134929152 273641693 /nfs/dbraw/zinc/64/16/93/273641693.db2.gz LHQPEFZWDJDQJD-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO COC(=O)C(C)(C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000352899753 428304527 /nfs/dbraw/zinc/30/45/27/428304527.db2.gz DIZBGZDKSRPMGP-VURMDHGXSA-N 1 0 306.362 2.787 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC2(CCOC2=O)CC1 ZINC000371493459 428392753 /nfs/dbraw/zinc/39/27/53/428392753.db2.gz QAMKGORLHVYGRL-CYBMUJFWSA-N 1 0 318.373 2.993 20 5 DFBDRO CC(C)Oc1cc(-c2nc(C3([NH3+])CCC3)no2)ccc1[N+](=O)[O-] ZINC000414626669 428358561 /nfs/dbraw/zinc/35/85/61/428358561.db2.gz KGAVDOVIVCDRPK-UHFFFAOYSA-N 1 0 318.333 2.770 20 5 DFBDRO CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000414651290 428365224 /nfs/dbraw/zinc/36/52/24/428365224.db2.gz BRNHUUDPERTVER-CYBMUJFWSA-N 1 0 306.366 2.509 20 5 DFBDRO Cc1ccc(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000414667496 428367628 /nfs/dbraw/zinc/36/76/28/428367628.db2.gz XXINYNQCJRUUQB-RYUDHWBXSA-N 1 0 306.366 2.542 20 5 DFBDRO C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000342275510 428378022 /nfs/dbraw/zinc/37/80/22/428378022.db2.gz CUNXNZNZUBWWLD-QWHCGFSZSA-N 1 0 305.378 2.646 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357073194 428379890 /nfs/dbraw/zinc/37/98/90/428379890.db2.gz DTNRKJSQAHHVKQ-CYBMUJFWSA-N 1 0 307.369 2.555 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC3CCC2CC3)c2c(c1)COCO2 ZINC000378374581 428381502 /nfs/dbraw/zinc/38/15/02/428381502.db2.gz DQNHDKNKFFBZMC-UHFFFAOYSA-N 1 0 304.346 2.836 20 5 DFBDRO Cc1ccc(CNCCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414885097 428444100 /nfs/dbraw/zinc/44/41/00/428444100.db2.gz VHBKOQRKQSHDFK-UHFFFAOYSA-N 1 0 314.389 2.568 20 5 DFBDRO [NH3+]C[C@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414799583 428415297 /nfs/dbraw/zinc/41/52/97/428415297.db2.gz KDDCKZPGFJKING-AWEZNQCLSA-N 1 0 301.346 2.682 20 5 DFBDRO [NH3+]C[C@@H](NCc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414802260 428416925 /nfs/dbraw/zinc/41/69/25/428416925.db2.gz MQITWTUUCJUBBN-CQSZACIVSA-N 1 0 318.402 2.545 20 5 DFBDRO C[NH+](C)C1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCC1 ZINC000278495576 273791878 /nfs/dbraw/zinc/79/18/78/273791878.db2.gz WTJWFBRLEODERD-UHFFFAOYSA-N 1 0 318.299 2.905 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000360901764 428485664 /nfs/dbraw/zinc/48/56/64/428485664.db2.gz OZKAEBHIIPKOOG-RYUDHWBXSA-N 1 0 309.414 2.794 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 ZINC000277121493 273815548 /nfs/dbraw/zinc/81/55/48/273815548.db2.gz FMMWIIUCMXLVDQ-VSGCLNPGSA-N 1 0 317.389 2.551 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)C1 ZINC000078617700 273816426 /nfs/dbraw/zinc/81/64/26/273816426.db2.gz BYOATMFICKXHDR-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1O ZINC000357361644 428500698 /nfs/dbraw/zinc/50/06/98/428500698.db2.gz YLNACFWNUPXYCR-SWLSCSKDSA-N 1 0 324.377 2.602 20 5 DFBDRO Cn1ccnc1[C@H](NC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000353356461 428500674 /nfs/dbraw/zinc/50/06/74/428500674.db2.gz VOIXNHVOZXUIFA-CYBMUJFWSA-N 1 0 315.333 2.601 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000360959092 428510589 /nfs/dbraw/zinc/51/05/89/428510589.db2.gz FCRQIJAAKIICAW-NWDGAFQWSA-N 1 0 309.414 2.652 20 5 DFBDRO Cc1cc(NC[C@H]2CC[C@@H](C)O2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397938326 428516196 /nfs/dbraw/zinc/51/61/96/428516196.db2.gz YLHWIGOWSMHPIX-DGCLKSJQSA-N 1 0 301.346 2.853 20 5 DFBDRO C[C@H](CNC(=O)Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000343076707 428517122 /nfs/dbraw/zinc/51/71/22/428517122.db2.gz NSUUTVQMZUPTCL-ZIAGYGMSSA-N 1 0 319.405 2.516 20 5 DFBDRO CN(CC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000415108662 428523526 /nfs/dbraw/zinc/52/35/26/428523526.db2.gz MRRCQTXAKNGLRV-UHFFFAOYSA-N 1 0 309.753 2.899 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000415486411 428586729 /nfs/dbraw/zinc/58/67/29/428586729.db2.gz RULNRDANWQEWTK-AWEZNQCLSA-N 1 0 320.393 2.721 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415480559 428587740 /nfs/dbraw/zinc/58/77/40/428587740.db2.gz HOOSJGRQNLBMCP-QWHCGFSZSA-N 1 0 320.393 2.721 20 5 DFBDRO CCOC(=O)CC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000343873076 428588290 /nfs/dbraw/zinc/58/82/90/428588290.db2.gz GXSJWVCMXAXVLW-UHFFFAOYSA-N 1 0 324.377 2.767 20 5 DFBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@]2(CCOC2)O1 ZINC000373477674 428588375 /nfs/dbraw/zinc/58/83/75/428588375.db2.gz ATMSDBFBENZLJM-DLBZAZTESA-N 1 0 320.389 2.673 20 5 DFBDRO CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000415499189 428591536 /nfs/dbraw/zinc/59/15/36/428591536.db2.gz JSVDMIDVNXJIHZ-ZDUSSCGKSA-N 1 0 306.366 2.509 20 5 DFBDRO C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cn2)[C@H]1c1cccs1 ZINC000361153368 428540632 /nfs/dbraw/zinc/54/06/32/428540632.db2.gz HZNANOBHFNWGRA-NHYWBVRUSA-N 1 0 318.402 3.156 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347350094 428560334 /nfs/dbraw/zinc/56/03/34/428560334.db2.gz CJTVGMTVCXVMHE-IDKBZEPQSA-N 1 0 301.390 2.778 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000415294526 428562907 /nfs/dbraw/zinc/56/29/07/428562907.db2.gz KUYHQLCDCHLJJB-GFCCVEGCSA-N 1 0 306.366 2.557 20 5 DFBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000343800407 428573624 /nfs/dbraw/zinc/57/36/24/428573624.db2.gz YFFGCALEHWONNQ-LLVKDONJSA-N 1 0 318.352 3.158 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000415588961 428600840 /nfs/dbraw/zinc/60/08/40/428600840.db2.gz YEVFOMBUUKUKFY-LBPRGKRZSA-N 1 0 308.382 2.851 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2cc(F)cc([N+](=O)[O-])c2)CCCCC1 ZINC000415630346 428606073 /nfs/dbraw/zinc/60/60/73/428606073.db2.gz KSEUNPARAQYQFY-UHFFFAOYSA-N 1 0 310.329 2.517 20 5 DFBDRO C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347573356 428607029 /nfs/dbraw/zinc/60/70/29/428607029.db2.gz VJRBFZYNVNJUJR-AGIUHOORSA-N 1 0 305.378 2.900 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000415627902 428607088 /nfs/dbraw/zinc/60/70/88/428607088.db2.gz DBVVVWYATZBDOE-ZDUSSCGKSA-N 1 0 312.345 2.571 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347578502 428609356 /nfs/dbraw/zinc/60/93/56/428609356.db2.gz ICSVFLRITAPLGK-FRRDWIJNSA-N 1 0 305.378 2.900 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344031981 428612472 /nfs/dbraw/zinc/61/24/72/428612472.db2.gz OBDWBSGCYRQIIF-DGCLKSJQSA-N 1 0 303.362 2.654 20 5 DFBDRO Cn1cc(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000353628286 428631919 /nfs/dbraw/zinc/63/19/19/428631919.db2.gz HSIFFKGHXNCTCD-MRXNPFEDSA-N 1 0 300.362 2.538 20 5 DFBDRO COC[C@H](C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])OC ZINC000290781565 274048940 /nfs/dbraw/zinc/04/89/40/274048940.db2.gz CIRHLEPPIJFLKU-JTQLQIEISA-N 1 0 323.176 2.653 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(N2CC[NH+](CC(C)C)CC2)c1 ZINC000301656403 274095860 /nfs/dbraw/zinc/09/58/60/274095860.db2.gz VIRPUBIXZOBMDD-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO COc1cc(N2CCC([NH2+]CC3CC3)CC2)c([N+](=O)[O-])cc1F ZINC000261805532 274096112 /nfs/dbraw/zinc/09/61/12/274096112.db2.gz VCTSGIIQWBNUND-UHFFFAOYSA-N 1 0 323.368 2.711 20 5 DFBDRO COc1cc(N2CCC3(CCC[N@@H+]3C)CC2)c([N+](=O)[O-])cc1F ZINC000364632684 274096284 /nfs/dbraw/zinc/09/62/84/274096284.db2.gz JAMSMNAJNLKJCO-UHFFFAOYSA-N 1 0 323.368 2.807 20 5 DFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1[NH+]1CCCC1 ZINC000356115589 274186617 /nfs/dbraw/zinc/18/66/17/274186617.db2.gz KMRRZEFTBUGNGD-HOTGVXAUSA-N 1 0 321.446 2.919 20 5 DFBDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2ncc([N+](=O)[O-])cc2F)C1 ZINC000408464917 428666381 /nfs/dbraw/zinc/66/63/81/428666381.db2.gz GCEQZHRYHXSQIC-UPJWGTAASA-N 1 0 322.384 2.971 20 5 DFBDRO CN(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+]1CCCC1 ZINC000416100505 428667729 /nfs/dbraw/zinc/66/77/29/428667729.db2.gz WNPALMIRXVTXKZ-UHFFFAOYSA-N 1 0 305.378 2.541 20 5 DFBDRO C[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)[C@@H]1C[NH3+] ZINC000261943869 274291959 /nfs/dbraw/zinc/29/19/59/274291959.db2.gz LXUNEICOPMUTJW-IAQYHMDHSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CCN(c2ccc([N+](=O)[O-])c3cnccc32)[C@H](C[NH3+])C1 ZINC000262501328 274304482 /nfs/dbraw/zinc/30/44/82/274304482.db2.gz MBVJRZBEZYMTPN-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116281021 274373956 /nfs/dbraw/zinc/37/39/56/274373956.db2.gz HZVKJCZOUKDXDV-BXUZGUMPSA-N 1 0 309.797 2.917 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCN1CCSCC1 ZINC000344823940 428708996 /nfs/dbraw/zinc/70/89/96/428708996.db2.gz MBVOASRFSNEFOP-KAMYIIQDSA-N 1 0 321.446 2.637 20 5 DFBDRO C[C@H](CCNC(=O)c1cc(F)cc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000344945879 428727011 /nfs/dbraw/zinc/72/70/11/428727011.db2.gz UYADNABXDKHBME-GFCCVEGCSA-N 1 0 323.368 2.728 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000358914242 428729783 /nfs/dbraw/zinc/72/97/83/428729783.db2.gz KYIUJGJBCQYUNY-CYBMUJFWSA-N 1 0 307.398 2.548 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ncc([N+](=O)[O-])s2)[C@H]1c1cccs1 ZINC000374493059 428683876 /nfs/dbraw/zinc/68/38/76/428683876.db2.gz UGWQTBQPCBCILL-SKDRFNHKSA-N 1 0 324.431 3.218 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2OC(F)F)cc1 ZINC000348535815 428775179 /nfs/dbraw/zinc/77/51/79/428775179.db2.gz RJOKOUPZIKJPLV-OLZOCXBDSA-N 1 0 316.304 2.724 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCC[C@@H]1O ZINC000348545713 428783988 /nfs/dbraw/zinc/78/39/88/428783988.db2.gz LBLKIKOKMJLWOX-NEPJUHHUSA-N 1 0 316.304 2.541 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000411368969 428785911 /nfs/dbraw/zinc/78/59/11/428785911.db2.gz WPORCOSCAFJFCZ-LLVKDONJSA-N 1 0 309.366 2.662 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000375304443 428847354 /nfs/dbraw/zinc/84/73/54/428847354.db2.gz SUOHHDLXNXDAIP-YLVFBTJISA-N 1 0 317.389 2.611 20 5 DFBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000375102126 428799680 /nfs/dbraw/zinc/79/96/80/428799680.db2.gz WAOVOVJIRLKFJT-CQSZACIVSA-N 1 0 308.378 2.852 20 5 DFBDRO O=C(CC[N@@H+]1CC[C@@H]2CCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000411568334 428820671 /nfs/dbraw/zinc/82/06/71/428820671.db2.gz KCOLBZLJFXIANI-SWLSCSKDSA-N 1 0 303.362 2.798 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000251723662 274593885 /nfs/dbraw/zinc/59/38/85/274593885.db2.gz KAPFUSPZHHIVRX-GZMMTYOYSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000354023506 428828227 /nfs/dbraw/zinc/82/82/27/428828227.db2.gz CTPMCMRWGQAOLT-KGLIPLIRSA-N 1 0 322.405 2.703 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC2(C)C)c([N+](=O)[O-])c1 ZINC000411682708 428838254 /nfs/dbraw/zinc/83/82/54/428838254.db2.gz GGKMWYMEVQXQLI-CQSZACIVSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1n[nH]c(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3C)CC2)n1 ZINC000363193231 428880603 /nfs/dbraw/zinc/88/06/03/428880603.db2.gz UAWWCSVFVGSAFO-UHFFFAOYSA-N 1 0 315.377 2.709 20 5 DFBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000411969468 428895300 /nfs/dbraw/zinc/89/53/00/428895300.db2.gz LOHRNQXRCFSJHO-QLJPJBMISA-N 1 0 318.377 2.764 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000345516793 428918077 /nfs/dbraw/zinc/91/80/77/428918077.db2.gz AETINKMNLVDDRV-ZDUSSCGKSA-N 1 0 307.394 2.753 20 5 DFBDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(c2ncc([N+](=O)[O-])s2)C1 ZINC000375601646 428920419 /nfs/dbraw/zinc/92/04/19/428920419.db2.gz ZLEWYZILJVCNLV-CYBMUJFWSA-N 1 0 318.402 2.762 20 5 DFBDRO C[NH+](C)C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000419009708 428926354 /nfs/dbraw/zinc/92/63/54/428926354.db2.gz NWHUTEOOVMIMHJ-UHFFFAOYSA-N 1 0 318.402 3.224 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000354224672 428927615 /nfs/dbraw/zinc/92/76/15/428927615.db2.gz ONELPOLZXUBGQD-GJZGRUSLSA-N 1 0 321.421 2.778 20 5 DFBDRO C[C@@H]1CC(C)(C)C[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049342 428927638 /nfs/dbraw/zinc/92/76/38/428927638.db2.gz WEQVKXQEZAUCFY-IUODEOHRSA-N 1 0 317.389 2.821 20 5 DFBDRO C[C@H]1CC(C)(C)C[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000412049343 428928626 /nfs/dbraw/zinc/92/86/26/428928626.db2.gz WEQVKXQEZAUCFY-SWLSCSKDSA-N 1 0 317.389 2.821 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)C2CC2)cc1[N+](=O)[O-] ZINC000349208289 428939598 /nfs/dbraw/zinc/93/95/98/428939598.db2.gz KQTBRNFGWJKXDP-BZNIZROVSA-N 1 0 308.378 2.805 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1([NH+](C)C)CCCCC1 ZINC000359365547 428940032 /nfs/dbraw/zinc/94/00/32/428940032.db2.gz QIZPCWJKUIZVBU-UHFFFAOYSA-N 1 0 309.414 2.796 20 5 DFBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2c([N+](=O)[O-])ncn2C)C12CCCCC2 ZINC000375701229 428947860 /nfs/dbraw/zinc/94/78/60/428947860.db2.gz MQAWISRXECNOKG-KGLIPLIRSA-N 1 0 322.409 2.546 20 5 DFBDRO [NH3+]C[C@H]1CCC[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420210986 428948084 /nfs/dbraw/zinc/94/80/84/428948084.db2.gz WSAVAULYDKUMMS-DGCLKSJQSA-N 1 0 318.402 3.258 20 5 DFBDRO CC(C)c1ccc([C@@H]([NH3+])CNc2ncc([N+](=O)[O-])s2)cc1 ZINC000420220168 428950922 /nfs/dbraw/zinc/95/09/22/428950922.db2.gz PJNLZOWFDLHRFN-LBPRGKRZSA-N 1 0 306.391 3.287 20 5 DFBDRO CC[NH2+][C@H](C)CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420238515 428951409 /nfs/dbraw/zinc/95/14/09/428951409.db2.gz DIOBRBGZGDWPEP-SNVBAGLBSA-N 1 0 306.391 3.128 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1NCCC[C@H]1CCC[NH2+]1 ZINC000420290518 428955433 /nfs/dbraw/zinc/95/54/33/428955433.db2.gz UPAUNXCCHAMFAC-CYBMUJFWSA-N 1 0 300.362 3.087 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420278852 428955938 /nfs/dbraw/zinc/95/59/38/428955938.db2.gz SAPILIDZCRNBSH-JQWIXIFHSA-N 1 0 318.402 3.258 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@]4(CCOC4)C3)nc2c1 ZINC000451909843 429017873 /nfs/dbraw/zinc/01/78/73/429017873.db2.gz XOINAPDTQYPJRQ-INIZCTEOSA-N 1 0 317.345 2.739 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCCC[NH+]1CCCCC1 ZINC000421740016 429025101 /nfs/dbraw/zinc/02/51/01/429025101.db2.gz GMEJJHFWBHQQCA-UHFFFAOYSA-N 1 0 319.405 2.817 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000375965004 429030451 /nfs/dbraw/zinc/03/04/51/429030451.db2.gz ZGXPCGBGRQXVII-DOMZBBRYSA-N 1 0 318.377 2.685 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1CCc1ccc([N+](=O)[O-])cc1 ZINC000375808613 428983264 /nfs/dbraw/zinc/98/32/64/428983264.db2.gz DCNYQRXJSIONCI-DLBZAZTESA-N 1 0 303.406 2.696 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451825361 428989503 /nfs/dbraw/zinc/98/95/03/428989503.db2.gz CYTQBOVDGYPCLV-HZPDHXFCSA-N 1 0 320.389 2.993 20 5 DFBDRO CC1(C)C[C@H]([NH2+]CCCn2ccnn2)c2cc([N+](=O)[O-])ccc21 ZINC000433219583 429012490 /nfs/dbraw/zinc/01/24/90/429012490.db2.gz JYEDSDMYLJWRBP-HNNXBMFYSA-N 1 0 315.377 2.589 20 5 DFBDRO C[N@H+](CCn1ccc([N+](=O)[O-])n1)Cc1ccc(F)c(Cl)c1 ZINC000433232208 429013376 /nfs/dbraw/zinc/01/33/76/429013376.db2.gz BNRROVYGSREAAG-UHFFFAOYSA-N 1 0 312.732 2.716 20 5 DFBDRO CC[C@H]([NH2+]C[C@H]1CCNCC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000423475891 429094398 /nfs/dbraw/zinc/09/43/98/429094398.db2.gz KSBCKXQRURCWTM-OCCSQVGLSA-N 1 0 313.348 2.880 20 5 DFBDRO O=[N+]([O-])c1c(NC2CC([NH+]3CCCCC3)C2)nc2sccn21 ZINC000376016875 429041215 /nfs/dbraw/zinc/04/12/15/429041215.db2.gz YUJAETYYIYZCFN-UHFFFAOYSA-N 1 0 321.406 2.733 20 5 DFBDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000421861132 429041294 /nfs/dbraw/zinc/04/12/94/429041294.db2.gz UAKYRNLREDFJLY-XJKCOSOUSA-N 1 0 319.405 2.927 20 5 DFBDRO COC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000452094273 429055687 /nfs/dbraw/zinc/05/56/87/429055687.db2.gz WCBMEWKBABPMSR-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000452098943 429056217 /nfs/dbraw/zinc/05/62/17/429056217.db2.gz GJZDUYIOYVOQRU-CYBMUJFWSA-N 1 0 308.378 2.852 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000376155214 429066712 /nfs/dbraw/zinc/06/67/12/429066712.db2.gz CYWMWHHYFNGRMM-HNNXBMFYSA-N 1 0 317.389 2.862 20 5 DFBDRO COCc1cc([N+](=O)[O-])ccc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376205492 429075352 /nfs/dbraw/zinc/07/53/52/429075352.db2.gz QTDXZYWUDFYZIR-XJKSGUPXSA-N 1 0 319.405 2.804 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424073144 429087036 /nfs/dbraw/zinc/08/70/36/429087036.db2.gz MDIXLCVORGEQLN-SWHYSGLUSA-N 1 0 319.405 2.657 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000363937011 429143620 /nfs/dbraw/zinc/14/36/20/429143620.db2.gz IVXYCDQKODYDTB-NSHDSACASA-N 1 0 306.753 2.618 20 5 DFBDRO Cc1cccc(C(=O)NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000376588339 429145316 /nfs/dbraw/zinc/14/53/16/429145316.db2.gz BYDGZRKZMGEFDZ-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO CCOC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000434611809 429098842 /nfs/dbraw/zinc/09/88/42/429098842.db2.gz LAEJIDOCMUHFOX-UHFFFAOYSA-N 1 0 306.362 2.950 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000434791926 429112483 /nfs/dbraw/zinc/11/24/83/429112483.db2.gz DUGGLCOETKMXOF-OCCSQVGLSA-N 1 0 314.769 2.532 20 5 DFBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000434791927 429113068 /nfs/dbraw/zinc/11/30/68/429113068.db2.gz DUGGLCOETKMXOF-TZMCWYRMSA-N 1 0 314.769 2.532 20 5 DFBDRO [NH3+][C@@H]1CCC[C@H]2CN(c3c4ccccc4ncc3[N+](=O)[O-])C[C@@H]21 ZINC000261642351 274958297 /nfs/dbraw/zinc/95/82/97/274958297.db2.gz FAVGRUDBRZFHJQ-FPMFFAJLSA-N 1 0 312.373 2.707 20 5 DFBDRO O=[N+]([O-])c1ccnn1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000412990850 429120321 /nfs/dbraw/zinc/12/03/21/429120321.db2.gz ISDBWYVDNICSOX-UHFFFAOYSA-N 1 0 300.362 2.826 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1cccs1 ZINC000413030348 429124851 /nfs/dbraw/zinc/12/48/51/429124851.db2.gz UXHDYYRQGHJAFW-LLVKDONJSA-N 1 0 310.354 2.905 20 5 DFBDRO CC[C@@H]([NH2+]C1CC(CC(=O)OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000424327717 429126015 /nfs/dbraw/zinc/12/60/15/429126015.db2.gz ZJKCSUKEWNLMQN-ABIUDSBCSA-N 1 0 306.362 2.977 20 5 DFBDRO COc1cc(C[NH2+][C@@H](CO)c2sccc2C)ccc1[N+](=O)[O-] ZINC000494627187 429134654 /nfs/dbraw/zinc/13/46/54/429134654.db2.gz WOQAURNOMAOZJW-LBPRGKRZSA-N 1 0 322.386 2.797 20 5 DFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000494654927 429137755 /nfs/dbraw/zinc/13/77/55/429137755.db2.gz ZBLKOCSAJFPPNP-CQSZACIVSA-N 1 0 306.387 2.830 20 5 DFBDRO CN(C(=O)C[N@@H+]1C[C@H]2CCCCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000363926382 429140438 /nfs/dbraw/zinc/14/04/38/429140438.db2.gz WAZQYKWJPSYIFF-CJNGLKHVSA-N 1 0 317.389 2.822 20 5 DFBDRO CCN(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000494850388 429159723 /nfs/dbraw/zinc/15/97/23/429159723.db2.gz SXLLARLOZZCZPK-UHFFFAOYSA-N 1 0 319.327 2.959 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)cc1N1CC[NH+](C2CCCCC2)CC1 ZINC000302079552 275035577 /nfs/dbraw/zinc/03/55/77/275035577.db2.gz ZOICGCIMXJXDDY-UHFFFAOYSA-N 1 0 319.405 2.542 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CCC2 ZINC000368102956 275038469 /nfs/dbraw/zinc/03/84/69/275038469.db2.gz RAQBZRXJFOAUQX-IUODEOHRSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CCC2 ZINC000365735536 275038593 /nfs/dbraw/zinc/03/85/93/275038593.db2.gz LMGCRYOAOHMAPL-XJKSGUPXSA-N 1 0 312.373 2.842 20 5 DFBDRO O=[N+]([O-])c1cnc2ccccc2c1NCC[NH+]1CCSCC1 ZINC000318904939 275041835 /nfs/dbraw/zinc/04/18/35/275041835.db2.gz KLHVSPFUIMVQIG-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000364020401 429159633 /nfs/dbraw/zinc/15/96/33/429159633.db2.gz PVFFTWUONCPFPD-HZPDHXFCSA-N 1 0 317.389 2.602 20 5 DFBDRO [NH3+][C@@H]1CCC[C@]12CCN(C(=O)c1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC000364198822 429173214 /nfs/dbraw/zinc/17/32/14/429173214.db2.gz GRHWAKNDHVYNHX-UKRRQHHQSA-N 1 0 323.780 2.592 20 5 DFBDRO O=[N+]([O-])c1cnn([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)c1 ZINC000364335413 429186225 /nfs/dbraw/zinc/18/62/25/429186225.db2.gz ITJYFURRNQEBLC-LBPRGKRZSA-N 1 0 322.315 2.907 20 5 DFBDRO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000364436442 429202678 /nfs/dbraw/zinc/20/26/78/429202678.db2.gz YBKNUCNQGHWVSZ-SFHVURJKSA-N 1 0 323.352 2.691 20 5 DFBDRO O=c1[nH]ccc2c1C[N@H+](CC=Cc1ccccc1[N+](=O)[O-])CC2 ZINC000365243477 429287032 /nfs/dbraw/zinc/28/70/32/429287032.db2.gz RBTRKEVCWDQJHD-HWKANZROSA-N 1 0 311.341 2.767 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC(C[NH+]3CCCCC3)CC2)s1 ZINC000443512484 429254994 /nfs/dbraw/zinc/25/49/94/429254994.db2.gz URCWMBZDOUQSAT-UHFFFAOYSA-N 1 0 310.423 2.754 20 5 DFBDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc4ncccc4c3[N+](=O)[O-])[C@@H]2C1 ZINC000425289574 429257411 /nfs/dbraw/zinc/25/74/11/429257411.db2.gz VQCMKHGWXTUHMR-BLLLJJGKSA-N 1 0 312.373 2.673 20 5 DFBDRO C[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489860397 429265021 /nfs/dbraw/zinc/26/50/21/429265021.db2.gz CHHKTHOGCRKKAP-CYBMUJFWSA-N 1 0 308.378 2.599 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000365024709 429273696 /nfs/dbraw/zinc/27/36/96/429273696.db2.gz DBAZZWCOVJSWNC-UONOGXRCSA-N 1 0 312.373 3.182 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425353984 429274618 /nfs/dbraw/zinc/27/46/18/429274618.db2.gz JNAAOUXVVYJMFX-XJKSGUPXSA-N 1 0 319.405 2.520 20 5 DFBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](c3nnc[nH]3)C2)cc1[N+](=O)[O-] ZINC000425361407 429277729 /nfs/dbraw/zinc/27/77/29/429277729.db2.gz XWNKWRZFPUYLAR-ZDUSSCGKSA-N 1 0 315.377 2.826 20 5 DFBDRO Cc1ccc([C@H]2CCC[N@@H+]2CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000365567616 429342233 /nfs/dbraw/zinc/34/22/33/429342233.db2.gz CFJKLEWEYWHEOQ-MRXNPFEDSA-N 1 0 300.362 2.937 20 5 DFBDRO Cc1sc(C(=O)N[C@H]2C[C@@H](C)n3ccnc32)cc1[N+](=O)[O-] ZINC000456400234 429298493 /nfs/dbraw/zinc/29/84/93/429298493.db2.gz VECOPFPCKPLYLB-APPZFPTMSA-N 1 0 306.347 2.597 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426454378 429391558 /nfs/dbraw/zinc/39/15/58/429391558.db2.gz OXNORQKDMNIUID-DOMZBBRYSA-N 1 0 303.362 2.716 20 5 DFBDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000426455664 429392751 /nfs/dbraw/zinc/39/27/51/429392751.db2.gz BODRYQZNXRPRCD-MRXNPFEDSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000365891739 429398264 /nfs/dbraw/zinc/39/82/64/429398264.db2.gz LSBYDOGSDYBGPR-CZUORRHYSA-N 1 0 321.446 2.779 20 5 DFBDRO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000426521618 429400416 /nfs/dbraw/zinc/40/04/16/429400416.db2.gz HXMFOUMRCOMZEF-OAHLLOKOSA-N 1 0 322.405 2.956 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000449178778 429349993 /nfs/dbraw/zinc/34/99/93/429349993.db2.gz UPKKEVYGBLLJBX-BBRMVZONSA-N 1 0 323.462 2.553 20 5 DFBDRO CC(C)N1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194637 429355042 /nfs/dbraw/zinc/35/50/42/429355042.db2.gz VAURTIBPDHEAAS-SQWLQELKSA-N 1 0 305.422 2.844 20 5 DFBDRO CC1=CCN(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449241526 429365346 /nfs/dbraw/zinc/36/53/46/429365346.db2.gz BOHLRGOBABSXRA-HNNXBMFYSA-N 1 0 303.406 2.767 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3CCO)co2)cc1 ZINC000426247729 429376725 /nfs/dbraw/zinc/37/67/25/429376725.db2.gz GLHGDOKPMIOTBR-CQSZACIVSA-N 1 0 317.345 2.597 20 5 DFBDRO CC1(C)CN(Cc2cccc([N+](=O)[O-])c2)C[C@]2(CCCOC2)O1 ZINC000366466033 429458302 /nfs/dbraw/zinc/45/83/02/429458302.db2.gz PVVZEPULIGEHSD-KRWDZBQOSA-N 1 0 320.389 2.755 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449461037 429424212 /nfs/dbraw/zinc/42/42/12/429424212.db2.gz PBYUQGDAVLHYPL-UKPHBRMFSA-N 1 0 322.405 2.557 20 5 DFBDRO CC(C)c1ccc(CN2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000353708473 275740502 /nfs/dbraw/zinc/74/05/02/275740502.db2.gz GEPYIJLHOAKMJO-HOCLYGCPSA-N 1 0 303.406 2.902 20 5 DFBDRO CC[C@@](C)(C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449479133 429430379 /nfs/dbraw/zinc/43/03/79/429430379.db2.gz UKMWLOGSJZWILI-WBMJQRKESA-N 1 0 323.393 2.717 20 5 DFBDRO CC[C@](C)(C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)OC ZINC000449479130 429431545 /nfs/dbraw/zinc/43/15/45/429431545.db2.gz UKMWLOGSJZWILI-BLLLJJGKSA-N 1 0 323.393 2.717 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000366854568 429527688 /nfs/dbraw/zinc/52/76/88/429527688.db2.gz QFPHLTDSXUHDQU-MRXNPFEDSA-N 1 0 304.390 2.886 20 5 DFBDRO COC1([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000520792092 429528989 /nfs/dbraw/zinc/52/89/89/429528989.db2.gz GYSSBWFNBSBANF-CYBMUJFWSA-N 1 0 308.378 2.911 20 5 DFBDRO C[C@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613316 429471663 /nfs/dbraw/zinc/47/16/63/429471663.db2.gz NLZBYLORHNYZFG-WCQYABFASA-N 1 0 312.373 3.180 20 5 DFBDRO C[C@@H]1C[C@@H](Nc2ccc3cc([N+](=O)[O-])ccc3n2)C[N@@H+]1C1CC1 ZINC000519613310 429472152 /nfs/dbraw/zinc/47/21/52/429472152.db2.gz NLZBYLORHNYZFG-DGCLKSJQSA-N 1 0 312.373 3.180 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1[N+](=O)[O-] ZINC000449675278 429475082 /nfs/dbraw/zinc/47/50/82/429475082.db2.gz ZEJIGTAYUHHDLH-DGCLKSJQSA-N 1 0 318.295 2.648 20 5 DFBDRO O=C(NCCC[C@H]1CCC[NH2+]1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000449682340 429478149 /nfs/dbraw/zinc/47/81/49/429478149.db2.gz NRMLNZBPSGRXOW-GFCCVEGCSA-N 1 0 311.769 2.510 20 5 DFBDRO Cc1c(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000366835976 429523773 /nfs/dbraw/zinc/52/37/73/429523773.db2.gz CLHGBTSQYUOYSG-XJKSGUPXSA-N 1 0 317.389 2.507 20 5 DFBDRO CN1Cc2ccccc2[C@@H](NC(=O)c2ccccc2[N+](=O)[O-])C1 ZINC000366963642 429549634 /nfs/dbraw/zinc/54/96/34/429549634.db2.gz VDWIBMDAZQNKFC-HNNXBMFYSA-N 1 0 311.341 2.511 20 5 DFBDRO CC(C)(C)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000236578232 275846791 /nfs/dbraw/zinc/84/67/91/275846791.db2.gz OMTISHWUJMRTKP-TZMCWYRMSA-N 1 0 319.405 2.750 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000521845502 429566866 /nfs/dbraw/zinc/56/68/66/429566866.db2.gz QTNZTTYJEWDRSL-RHSMWYFYSA-N 1 0 319.405 2.626 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000367068016 429569081 /nfs/dbraw/zinc/56/90/81/429569081.db2.gz PILXFAWAXWBPAP-KRWDZBQOSA-N 1 0 320.389 2.866 20 5 DFBDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000429011642 429571592 /nfs/dbraw/zinc/57/15/92/429571592.db2.gz SYAXLUIRTSEDRY-CKEIUWERSA-N 1 0 303.406 2.757 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[NH+](CC2CC2)CC1 ZINC000450266591 429589861 /nfs/dbraw/zinc/58/98/61/429589861.db2.gz RUOXKCMSLCPYCT-UHFFFAOYSA-N 1 0 312.373 2.675 20 5 DFBDRO C[C@@H](C[NH+]1CCCCC1)Nc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450250733 429585897 /nfs/dbraw/zinc/58/58/97/429585897.db2.gz NBHVKPKRKYNYDB-ZDUSSCGKSA-N 1 0 314.389 3.429 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492661051 429588588 /nfs/dbraw/zinc/58/85/88/429588588.db2.gz ZZCSLBIEHQQTBK-HUUCEWRRSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)C1 ZINC000429558348 429616890 /nfs/dbraw/zinc/61/68/90/429616890.db2.gz FCJMJAJFVHZQMV-OCCSQVGLSA-N 1 0 317.389 2.604 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429575041 429617754 /nfs/dbraw/zinc/61/77/54/429617754.db2.gz CDWGGGZDBAIVGM-DGCLKSJQSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)cc1[N+](=O)[O-] ZINC000367246522 429603560 /nfs/dbraw/zinc/60/35/60/429603560.db2.gz MVHMSDHRJBOMNJ-WFASDCNBSA-N 1 0 317.389 2.755 20 5 DFBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000429396925 429604729 /nfs/dbraw/zinc/60/47/29/429604729.db2.gz XTWSOKOGWXWBHL-LBPRGKRZSA-N 1 0 309.435 2.963 20 5 DFBDRO Cc1c(C[N@H+](C)CCCNC(=O)C2CCC2)cccc1[N+](=O)[O-] ZINC000429545932 429613761 /nfs/dbraw/zinc/61/37/61/429613761.db2.gz GSHPRTPJRLYOMW-UHFFFAOYSA-N 1 0 319.405 2.641 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCn1ccnc1C ZINC000430216842 429663823 /nfs/dbraw/zinc/66/38/23/429663823.db2.gz IKBDULLSEFKLKA-UHFFFAOYSA-N 1 0 318.377 2.630 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000525706422 429666929 /nfs/dbraw/zinc/66/69/29/429666929.db2.gz AOGPVRFMECEJQA-UHFFFAOYSA-N 1 0 307.394 2.914 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243987 429667138 /nfs/dbraw/zinc/66/71/38/429667138.db2.gz NGPZXLITABSPLM-HIFRSBDPSA-N 1 0 321.421 2.908 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000246785189 276212992 /nfs/dbraw/zinc/21/29/92/276212992.db2.gz NRMBAAJCGHTNGP-DZGCQCFKSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2nc(C)cc(C)c2[N+](=O)[O-])C[C@H]1C ZINC000359083720 276214608 /nfs/dbraw/zinc/21/46/08/276214608.db2.gz PJBKMDFTIQFPJZ-ZIAGYGMSSA-N 1 0 306.410 2.916 20 5 DFBDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C)ccc1[N+](=O)[O-] ZINC000267594776 276233299 /nfs/dbraw/zinc/23/32/99/276233299.db2.gz QYVLTZSFFJHUDU-KGLIPLIRSA-N 1 0 317.389 2.602 20 5 DFBDRO CCOc1cccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1[N+](=O)[O-] ZINC000262316123 276381403 /nfs/dbraw/zinc/38/14/03/276381403.db2.gz QITRLGBDPDVHMU-RWMBFGLXSA-N 1 0 305.378 2.557 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266191289 276394379 /nfs/dbraw/zinc/39/43/79/276394379.db2.gz BQRHPUBKPYCJJZ-WCQYABFASA-N 1 0 322.365 2.670 20 5 DFBDRO CC[NH+](CC)[C@H](CNc1ncc([N+](=O)[O-])s1)CC(C)C ZINC000472340612 429714614 /nfs/dbraw/zinc/71/46/14/429714614.db2.gz NPLBAPSVLPHXNA-NSHDSACASA-N 1 0 300.428 3.220 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000430923617 429725499 /nfs/dbraw/zinc/72/54/99/429725499.db2.gz FGTLNTPWOSGKCI-CHWSQXEVSA-N 1 0 307.394 2.564 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000451263710 429799909 /nfs/dbraw/zinc/79/99/09/429799909.db2.gz IGYIQCYLTHRAMK-KGLIPLIRSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CC[N@@H+]1C ZINC000487081873 429765222 /nfs/dbraw/zinc/76/52/22/429765222.db2.gz AIMBHOJTJRAFMM-INIZCTEOSA-N 1 0 314.389 2.919 20 5 DFBDRO C[C@]1(F)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451117109 429770641 /nfs/dbraw/zinc/77/06/41/429770641.db2.gz UEARCNVVKLSUDP-HNNXBMFYSA-N 1 0 309.341 2.747 20 5 DFBDRO C[C@@]1(F)CCC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000451117110 429771470 /nfs/dbraw/zinc/77/14/70/429771470.db2.gz UEARCNVVKLSUDP-OAHLLOKOSA-N 1 0 309.341 2.747 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC12CCOCC2 ZINC000431655669 429774931 /nfs/dbraw/zinc/77/49/31/429774931.db2.gz ZZROKGODIPXRMM-CQSZACIVSA-N 1 0 320.389 2.900 20 5 DFBDRO O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000451472392 429832033 /nfs/dbraw/zinc/83/20/33/429832033.db2.gz SEZXLPRPSJXRMS-HOCLYGCPSA-N 1 0 320.389 2.647 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]2CCCO[C@@H]21 ZINC000451480255 429833651 /nfs/dbraw/zinc/83/36/51/429833651.db2.gz PVXXRSIAIWJGQL-WQVCFCJDSA-N 1 0 320.389 2.767 20 5 DFBDRO COc1cc(C[NH2+][C@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000451500582 429837407 /nfs/dbraw/zinc/83/74/07/429837407.db2.gz YHVJBEQCQPNERO-GOEBONIOSA-N 1 0 308.378 2.897 20 5 DFBDRO C[NH+](C)[C@@H]1CCCN(C(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000493849653 429840998 /nfs/dbraw/zinc/84/09/98/429840998.db2.gz IKKHKFYQTUVLGC-WHLNPGIBSA-N 1 0 317.389 2.551 20 5 DFBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000451548627 429850115 /nfs/dbraw/zinc/85/01/15/429850115.db2.gz VFJNEFGPMDIYKQ-IUODEOHRSA-N 1 0 308.378 2.850 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000451588411 429858681 /nfs/dbraw/zinc/85/86/81/429858681.db2.gz QCNYWOHGCSGRSI-MFKMUULPSA-N 1 0 310.325 2.555 20 5 DFBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@]2(C)CO)ccc1[N+](=O)[O-] ZINC000493706966 429813328 /nfs/dbraw/zinc/81/33/28/429813328.db2.gz MQOGXWWSQGNTKC-HOTGVXAUSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc([N+](=O)[O-])c1 ZINC000368660965 429884542 /nfs/dbraw/zinc/88/45/42/429884542.db2.gz WXZYTAKCUDOUDH-UKRRQHHQSA-N 1 0 317.389 2.602 20 5 DFBDRO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000368670612 429885479 /nfs/dbraw/zinc/88/54/79/429885479.db2.gz FGHMPIMFPISTHR-DLBZAZTESA-N 1 0 317.389 2.570 20 5 DFBDRO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000368690957 429887800 /nfs/dbraw/zinc/88/78/00/429887800.db2.gz YAYUFATVOWWTIA-HOTGVXAUSA-N 1 0 317.389 2.602 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3C[C@H](O)C4(CC4)C3)o2)cc1 ZINC000368800534 429894873 /nfs/dbraw/zinc/89/48/73/429894873.db2.gz PGAHUVWSZPQIKI-INIZCTEOSA-N 1 0 314.341 2.812 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000368904156 429901364 /nfs/dbraw/zinc/90/13/64/429901364.db2.gz IPNGXTYIQVKVLR-JKSUJKDBSA-N 1 0 306.362 2.521 20 5 DFBDRO Cc1c(C[N@@H+]2CCCC[C@H]2Cn2ccnn2)cccc1[N+](=O)[O-] ZINC000369281219 429922430 /nfs/dbraw/zinc/92/24/30/429922430.db2.gz VNBRFTAYWXOCNN-HNNXBMFYSA-N 1 0 315.377 2.549 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000573458689 429954952 /nfs/dbraw/zinc/95/49/52/429954952.db2.gz COYQTFSZTMLVFK-SOLBZPMBSA-N 1 0 316.401 2.969 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCn3ccnc3C2)c(Cl)c1 ZINC000369366206 429931848 /nfs/dbraw/zinc/93/18/48/429931848.db2.gz LIMQLOAFNLDNSS-NSHDSACASA-N 1 0 320.780 2.797 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000369471654 429952528 /nfs/dbraw/zinc/95/25/28/429952528.db2.gz OYCGQJQIQCYUBE-DZGCQCFKSA-N 1 0 306.362 2.617 20 5 DFBDRO C[NH+](C)C1(CNC(=O)c2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000299671020 276769787 /nfs/dbraw/zinc/76/97/87/276769787.db2.gz HPLWTJZEWZIGHY-UHFFFAOYSA-N 1 0 323.368 2.728 20 5 DFBDRO O=C(CC[NH2+]C[C@H]1CC=CCC1)Nc1ccccc1[N+](=O)[O-] ZINC000573953581 429997206 /nfs/dbraw/zinc/99/72/06/429997206.db2.gz CPNQOMGDVABFPK-ZDUSSCGKSA-N 1 0 303.362 2.869 20 5 DFBDRO CN(C)c1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000573981539 430001316 /nfs/dbraw/zinc/00/13/16/430001316.db2.gz REXIEDHGILKXAX-HNNXBMFYSA-N 1 0 312.373 2.833 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3cccc(F)c3[N+](=O)[O-])C2)CC1 ZINC000270215399 276889121 /nfs/dbraw/zinc/88/91/21/276889121.db2.gz SLOMEOKDKYRNTG-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000580770145 430150384 /nfs/dbraw/zinc/15/03/84/430150384.db2.gz QUUITWOWWTUVSG-KBXIAJHMSA-N 1 0 322.405 2.749 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@@H]1CCC[NH2+]CC1 ZINC000580903176 430161001 /nfs/dbraw/zinc/16/10/01/430161001.db2.gz RABVSLMUZRFQPB-LLVKDONJSA-N 1 0 311.407 2.569 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000562293843 430117927 /nfs/dbraw/zinc/11/79/27/430117927.db2.gz TZUHFTCMPMYJHP-YGRLFVJLSA-N 1 0 321.377 2.709 20 5 DFBDRO C[NH+]1CCC([C@@H]2CCN(c3ccc([N+](=O)[O-])cc3F)C2)CC1 ZINC000270208114 277033207 /nfs/dbraw/zinc/03/32/07/277033207.db2.gz RIWVTMHTCVUVMS-CYBMUJFWSA-N 1 0 307.369 2.902 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000541220599 430185453 /nfs/dbraw/zinc/18/54/53/430185453.db2.gz SVDDXPZGXMBXRX-MELADBBJSA-N 1 0 322.430 2.992 20 5 DFBDRO C[C@H](C(=O)NCC[NH+]1CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000581228373 430190832 /nfs/dbraw/zinc/19/08/32/430190832.db2.gz OUBQNIQSGNKHEZ-AWEZNQCLSA-N 1 0 319.405 2.546 20 5 DFBDRO C[NH2+]CC1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 ZINC000261989665 277265215 /nfs/dbraw/zinc/26/52/15/277265215.db2.gz STWMMICOOCGZQB-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO COCCOCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000581694531 430231832 /nfs/dbraw/zinc/23/18/32/430231832.db2.gz VRNXBZICSXYZFX-UHFFFAOYSA-N 1 0 310.394 2.813 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@@]3(CC[NH2+]C3)C2)c2ncccc12 ZINC000582411105 430298028 /nfs/dbraw/zinc/29/80/28/430298028.db2.gz SFVDQRMLJUCANL-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000582542471 430310753 /nfs/dbraw/zinc/31/07/53/430310753.db2.gz XKCQFTJHPLNVGJ-YCPHGPKFSA-N 1 0 322.405 2.893 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000547305978 430384162 /nfs/dbraw/zinc/38/41/62/430384162.db2.gz PJRSSIOKBFKKGA-DYVFJYSZSA-N 1 0 322.405 2.731 20 5 DFBDRO [NH3+]CC1(CCNc2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000593235523 430496973 /nfs/dbraw/zinc/49/69/73/430496973.db2.gz VSLOJCSAEAYZEA-UHFFFAOYSA-N 1 0 312.373 3.198 20 5 DFBDRO C[C@@H]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000570564889 430554349 /nfs/dbraw/zinc/55/43/49/430554349.db2.gz MHWZQJJYMGOVRS-CHWSQXEVSA-N 1 0 305.378 2.949 20 5 DFBDRO Cc1ccc(NC(=O)N2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000571027287 430597799 /nfs/dbraw/zinc/59/77/99/430597799.db2.gz UIKCIVKLNXZGKR-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO Cn1cncc1CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000571103983 430602892 /nfs/dbraw/zinc/60/28/92/430602892.db2.gz IZBHVTIJGMMNLR-UHFFFAOYSA-N 1 0 302.378 2.786 20 5 DFBDRO COC(=O)COc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000571648360 430643227 /nfs/dbraw/zinc/64/32/27/430643227.db2.gz NUVHNKXIVUEICE-LLVKDONJSA-N 1 0 324.377 2.671 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC23CCOCC3)cc1 ZINC000554558956 430643799 /nfs/dbraw/zinc/64/37/99/430643799.db2.gz QQXZPYJKDKBZBP-OAHLLOKOSA-N 1 0 306.362 2.522 20 5 DFBDRO COc1cccc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1[N+](=O)[O-] ZINC000292659393 278016885 /nfs/dbraw/zinc/01/68/85/278016885.db2.gz CFVDWEYUCLHOKS-INIZCTEOSA-N 1 0 305.378 2.526 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000180392449 278255149 /nfs/dbraw/zinc/25/51/49/278255149.db2.gz DQAJAFZYGHPTQR-ZDUSSCGKSA-N 1 0 305.378 2.648 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CSC[C@H]1C ZINC000556924062 430695935 /nfs/dbraw/zinc/69/59/35/430695935.db2.gz HNOFUZWQXXBXNC-JTNHKYCSSA-N 1 0 323.418 2.653 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc3cc([N+](=O)[O-])ccc3n2)C1 ZINC000261989686 278313752 /nfs/dbraw/zinc/31/37/52/278313752.db2.gz SUGWCJVNFGAUHC-DGCLKSJQSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCN(c2c3ccccc3ncc2[N+](=O)[O-])C1 ZINC000262344703 278317661 /nfs/dbraw/zinc/31/76/61/278317661.db2.gz URKNOBATWFACIA-NEPJUHHUSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000132440434 278318494 /nfs/dbraw/zinc/31/84/94/278318494.db2.gz WWWDKWPRQDPXFZ-BDAKNGLRSA-N 1 0 303.284 2.787 20 5 DFBDRO C[C@@H](NC(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1=CC[N@H+](C)CC1 ZINC000272737326 278330786 /nfs/dbraw/zinc/33/07/86/278330786.db2.gz CIILSROFVRCGCD-SNVBAGLBSA-N 1 0 323.780 2.628 20 5 DFBDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000161801945 278334376 /nfs/dbraw/zinc/33/43/76/278334376.db2.gz UUKFROLTCGUAJE-GFCCVEGCSA-N 1 0 306.362 2.931 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc(NC(N)=O)cc1 ZINC000079000757 278358042 /nfs/dbraw/zinc/35/80/42/278358042.db2.gz ZVADKAQUUFLCAZ-LLVKDONJSA-N 1 0 314.345 2.936 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365665268 278931458 /nfs/dbraw/zinc/93/14/58/278931458.db2.gz AVPKOAIBYJGJLG-CQSZACIVSA-N 1 0 317.389 2.604 20 5 DFBDRO CCC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278614886 278944606 /nfs/dbraw/zinc/94/46/06/278944606.db2.gz BTWTZRXHTMYVNH-RCBQFDQVSA-N 1 0 308.378 2.566 20 5 DFBDRO Cc1cnc(N2CCC[C@H]([NH+]3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000266213368 279014975 /nfs/dbraw/zinc/01/49/75/279014975.db2.gz NSDJECQHQFEJCZ-AWEZNQCLSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000295677394 279116617 /nfs/dbraw/zinc/11/66/17/279116617.db2.gz LFWCSXCYTYXCMX-IAQYHMDHSA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCCC1 ZINC000302823963 279354870 /nfs/dbraw/zinc/35/48/70/279354870.db2.gz FYIDQXDXRLJTJY-GFCCVEGCSA-N 1 0 304.394 2.707 20 5 DFBDRO [NH3+]CCCOC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000236225411 279627476 /nfs/dbraw/zinc/62/74/76/279627476.db2.gz CLOYOXKSLGUYOC-UHFFFAOYSA-N 1 0 313.785 2.582 20 5 DFBDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000262712967 279910367 /nfs/dbraw/zinc/91/03/67/279910367.db2.gz CYIPQRUWAZNPBV-SMDDNHRTSA-N 1 0 319.405 2.620 20 5 DFBDRO O=C(c1ccccc1[N+](=O)[O-])N1CCC([NH2+]C2CCCC2)CC1 ZINC000109926857 280213794 /nfs/dbraw/zinc/21/37/94/280213794.db2.gz VIIHPODWAZBHCO-UHFFFAOYSA-N 1 0 317.389 2.732 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CCCOC1)C1CC1 ZINC000178424962 280374836 /nfs/dbraw/zinc/37/48/36/280374836.db2.gz SRUOOXUXJIFIJP-CJNGLKHVSA-N 1 0 304.390 2.932 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000277943718 281257632 /nfs/dbraw/zinc/25/76/32/281257632.db2.gz OGEXUGLCUUUGAG-GXTWGEPZSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NC[C@@H]1CCC[N@H+]1CC(C)C ZINC000362791190 281257696 /nfs/dbraw/zinc/25/76/96/281257696.db2.gz WRMSCDFHCZNULL-AWEZNQCLSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364884798 281260589 /nfs/dbraw/zinc/26/05/89/281260589.db2.gz GXVBLXLLHOUBOQ-RRFJBIMHSA-N 1 0 301.390 2.824 20 5 DFBDRO Cc1ccccc1[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000271986266 281386097 /nfs/dbraw/zinc/38/60/97/281386097.db2.gz FMGOTXXJXFUEML-MRXNPFEDSA-N 1 0 300.362 2.841 20 5 DFBDRO CC[N@H+](CC(C)C)[C@@H](C)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000153739172 289058091 /nfs/dbraw/zinc/05/80/91/289058091.db2.gz HXKWPSRLXBRJTI-LBPRGKRZSA-N 1 0 323.393 2.908 20 5 DFBDRO C[C@@H]1CN(C(=O)Nc2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C[C@H]1[NH3+] ZINC000415687830 289120642 /nfs/dbraw/zinc/12/06/42/289120642.db2.gz BLCLEBZKSTUZIY-ZWNOBZJWSA-N 1 0 320.393 2.703 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000415691793 289120735 /nfs/dbraw/zinc/12/07/35/289120735.db2.gz GHSSGCQQALJOKM-UHFFFAOYSA-N 1 0 320.393 2.847 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000415700987 289121341 /nfs/dbraw/zinc/12/13/41/289121341.db2.gz NQHPKYFQINTYBI-ZWNOBZJWSA-N 1 0 320.393 2.846 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415767288 289133366 /nfs/dbraw/zinc/13/33/66/289133366.db2.gz UEHDVSDUXZWNIJ-NSHDSACASA-N 1 0 320.393 2.748 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H]1CCCO1 ZINC000278907462 293165699 /nfs/dbraw/zinc/16/56/99/293165699.db2.gz VOISPVXIAOGZBG-KCXAZCMYSA-N 1 0 308.378 2.748 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000436507842 297007603 /nfs/dbraw/zinc/00/76/03/297007603.db2.gz GPNIBDJJYMLOPF-AWEZNQCLSA-N 1 0 320.393 2.899 20 5 DFBDRO Cc1cccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)n1 ZINC000437908497 297073918 /nfs/dbraw/zinc/07/39/18/297073918.db2.gz VWLVGEGVJGGUSA-UHFFFAOYSA-N 1 0 301.346 2.809 20 5 DFBDRO Cc1ccsc1[C@@H](CO)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000494644044 299877196 /nfs/dbraw/zinc/87/71/96/299877196.db2.gz XRMBKCQAVWIJNW-GFCCVEGCSA-N 1 0 322.386 2.667 20 5 DFBDRO COc1cccc(N2CCC[C@@H]([NH+]3CCCC3)C2)c1[N+](=O)[O-] ZINC000368389369 295304972 /nfs/dbraw/zinc/30/49/72/295304972.db2.gz IENHIEHABAEZDU-CYBMUJFWSA-N 1 0 305.378 2.668 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000411388669 295536922 /nfs/dbraw/zinc/53/69/22/295536922.db2.gz NIPWDFMHELIPIH-VBNZEHGJSA-N 1 0 319.405 2.545 20 5 DFBDRO CCCCNC(=O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000411472282 295541577 /nfs/dbraw/zinc/54/15/77/295541577.db2.gz HANCARRDHNFMNR-HNNXBMFYSA-N 1 0 307.394 2.942 20 5 DFBDRO CO[C@](C)([C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000411941349 295569800 /nfs/dbraw/zinc/56/98/00/295569800.db2.gz GXLJMBPDDDUMKL-MLGOLLRUSA-N 1 0 308.378 2.767 20 5 DFBDRO CO[C@](C)([C@@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000411953671 295570769 /nfs/dbraw/zinc/57/07/69/295570769.db2.gz SAICKLWEOCMUHC-MLGOLLRUSA-N 1 0 308.378 2.767 20 5 DFBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440816790 297165961 /nfs/dbraw/zinc/16/59/61/297165961.db2.gz ZLGOBHJIJUOKBW-UHFFFAOYSA-N 1 0 314.267 2.669 20 5 DFBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000444770492 297250242 /nfs/dbraw/zinc/25/02/42/297250242.db2.gz LLAFCHKLYOPJRY-MRXNPFEDSA-N 1 0 308.378 2.730 20 5 DFBDRO COC(=O)c1cc(NCC2([NH+](C)C)CCC2)cc(C)c1[N+](=O)[O-] ZINC000445606328 297263642 /nfs/dbraw/zinc/26/36/42/297263642.db2.gz ZPSHKMANBVCPRJ-UHFFFAOYSA-N 1 0 321.377 2.586 20 5 DFBDRO Cc1ncc(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000447543508 297307478 /nfs/dbraw/zinc/30/74/78/297307478.db2.gz RMQMZSVVJUGJBM-STQMWFEESA-N 1 0 321.406 2.830 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)CCC2 ZINC000447580242 297309219 /nfs/dbraw/zinc/30/92/19/297309219.db2.gz NQNXNSWEFWLVFC-MFKMUULPSA-N 1 0 318.295 2.875 20 5 DFBDRO CCC(CC)(CO)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447585869 297309565 /nfs/dbraw/zinc/30/95/65/297309565.db2.gz KLXPZUFBSLGZIF-ZIAGYGMSSA-N 1 0 324.425 2.663 20 5 DFBDRO CC(C)(C)NC(=O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447587016 297309613 /nfs/dbraw/zinc/30/96/13/297309613.db2.gz PVJVGKSAUKWSSV-HNNXBMFYSA-N 1 0 319.405 2.867 20 5 DFBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447583723 297309667 /nfs/dbraw/zinc/30/96/67/297309667.db2.gz CLXYHYCMZHAJBF-LXTVHRRPSA-N 1 0 322.409 2.680 20 5 DFBDRO COCCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447600293 297310376 /nfs/dbraw/zinc/31/03/76/297310376.db2.gz LSJHRHFAWWBJHH-KGLIPLIRSA-N 1 0 324.425 2.927 20 5 DFBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000447897763 297324756 /nfs/dbraw/zinc/32/47/56/297324756.db2.gz OYQHJZOAVKLUFT-CQSZACIVSA-N 1 0 320.393 2.837 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOCC(F)(F)F ZINC000449069760 297400103 /nfs/dbraw/zinc/40/01/03/297400103.db2.gz ICBMKSNEDRZDBT-SNVBAGLBSA-N 1 0 306.284 2.694 20 5 DFBDRO Cc1cccc(NCC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449227968 297425885 /nfs/dbraw/zinc/42/58/85/297425885.db2.gz WZHCBLPCCUZAAK-AWEZNQCLSA-N 1 0 314.389 2.931 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](CO)Cc1ccccc1 ZINC000449263336 297431556 /nfs/dbraw/zinc/43/15/56/297431556.db2.gz HSKXRBFPXCBRRA-PBHICJAKSA-N 1 0 314.385 2.719 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CCOCC2 ZINC000449267205 297432515 /nfs/dbraw/zinc/43/25/15/297432515.db2.gz YXAVQQRWCUIQCN-HIFRSBDPSA-N 1 0 304.390 2.932 20 5 DFBDRO CC(C)(NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000449307692 297442389 /nfs/dbraw/zinc/44/23/89/297442389.db2.gz QVLJKKHJKXFICP-DOMZBBRYSA-N 1 0 319.405 2.854 20 5 DFBDRO CO[C@@H]1COCC[C@H]1C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449455243 297471180 /nfs/dbraw/zinc/47/11/80/297471180.db2.gz BXOSSQVZDSMILD-LOSYYMKXSA-N 1 0 320.389 2.639 20 5 DFBDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000449713100 297517652 /nfs/dbraw/zinc/51/76/52/297517652.db2.gz VXVIBQFLVPRSCP-KOLCDFICSA-N 1 0 319.386 2.667 20 5 DFBDRO Cc1c(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000451599780 297842603 /nfs/dbraw/zinc/84/26/03/297842603.db2.gz GIYOHKAEZQOWPF-DOTOQJQBSA-N 1 0 304.390 2.790 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000451774459 297873367 /nfs/dbraw/zinc/87/33/67/297873367.db2.gz OJFQJSVBEZHGQA-YUTCNCBUSA-N 1 0 306.362 2.977 20 5 DFBDRO CC(F)(F)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000453220736 298072632 /nfs/dbraw/zinc/07/26/32/298072632.db2.gz ODUUKLZRSYWFEX-QWRGUYRKSA-N 1 0 302.325 2.910 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453286818 298080376 /nfs/dbraw/zinc/08/03/76/298080376.db2.gz IKDNBTLFCBCBIG-XNRPHZJLSA-N 1 0 308.378 2.605 20 5 DFBDRO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000453286815 298080577 /nfs/dbraw/zinc/08/05/77/298080577.db2.gz IKDNBTLFCBCBIG-JGGQBBKZSA-N 1 0 308.378 2.605 20 5 DFBDRO Cc1ccncc1C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453319973 298083186 /nfs/dbraw/zinc/08/31/86/298083186.db2.gz FGEVYLXRRNVPCG-HUUCEWRRSA-N 1 0 315.377 2.768 20 5 DFBDRO COCC(COC)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453335363 298084252 /nfs/dbraw/zinc/08/42/52/298084252.db2.gz KKSKDHNRBFGRTH-CZUORRHYSA-N 1 0 322.405 2.557 20 5 DFBDRO COCC(COC)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000453335355 298084456 /nfs/dbraw/zinc/08/44/56/298084456.db2.gz KKSKDHNRBFGRTH-BBRMVZONSA-N 1 0 322.405 2.557 20 5 DFBDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000453373669 298087683 /nfs/dbraw/zinc/08/76/83/298087683.db2.gz SZDUKYUQTKYUSN-CHWSQXEVSA-N 1 0 324.425 2.662 20 5 DFBDRO CCC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1cccc([N+](=O)[O-])c1 ZINC000453415094 298092112 /nfs/dbraw/zinc/09/21/12/298092112.db2.gz XCGZYEDOOBKDLP-HOCLYGCPSA-N 1 0 305.378 2.694 20 5 DFBDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000454138237 298124940 /nfs/dbraw/zinc/12/49/40/298124940.db2.gz CAXSAWVKQRGSDB-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc([N+](=O)[O-])c[nH]3)ccc21 ZINC000454328448 298156157 /nfs/dbraw/zinc/15/61/57/298156157.db2.gz RNDCVEDYMPBDHH-HNNXBMFYSA-N 1 0 314.345 2.724 20 5 DFBDRO CC1(C)CCC[N@@H+]1CCNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000454357786 298161451 /nfs/dbraw/zinc/16/14/51/298161451.db2.gz PHGQOHYVOYUHMB-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000514678059 300266595 /nfs/dbraw/zinc/26/65/95/300266595.db2.gz MBMWMNSXYIJJJJ-UHFFFAOYSA-N 1 0 320.393 2.804 20 5 DFBDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000515413263 300305640 /nfs/dbraw/zinc/30/56/40/300305640.db2.gz JNJMSAGHIIQQRZ-GJZGRUSLSA-N 1 0 317.389 2.782 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643225 300316505 /nfs/dbraw/zinc/31/65/05/300316505.db2.gz GZNHUDCOPPAAES-HUUCEWRRSA-N 1 0 320.389 2.994 20 5 DFBDRO CC(C)Oc1nc(N2CC[N@H+](C)[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000515870109 300324022 /nfs/dbraw/zinc/32/40/22/300324022.db2.gz RMCQCZPFHHQLDD-AWEZNQCLSA-N 1 0 322.409 2.553 20 5 DFBDRO CC(C)(C)[C@@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516052163 300327808 /nfs/dbraw/zinc/32/78/08/300327808.db2.gz YMWOEEIRNHLYGV-HNNXBMFYSA-N 1 0 305.378 2.615 20 5 DFBDRO [NH3+]C[C@H]1CCCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000517342738 300393370 /nfs/dbraw/zinc/39/33/70/300393370.db2.gz SHCNNNMBYQYYDK-LLVKDONJSA-N 1 0 318.402 2.893 20 5 DFBDRO CC(C)C[C@@H](CNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000520703360 300506446 /nfs/dbraw/zinc/50/64/46/300506446.db2.gz HLYVATOWRSNGLV-CJNGLKHVSA-N 1 0 321.421 2.791 20 5 DFBDRO C[N@H+](CCn1cc([N+](=O)[O-])cn1)[C@@H]1CCCc2ccccc21 ZINC000530864832 301069253 /nfs/dbraw/zinc/06/92/53/301069253.db2.gz HTFJOQVIRDMYEY-MRXNPFEDSA-N 1 0 300.362 2.801 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000532572204 301160922 /nfs/dbraw/zinc/16/09/22/301160922.db2.gz NQBUTMBQXMBFFC-YPMHNXCESA-N 1 0 305.378 2.962 20 5 DFBDRO CC[N@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CCC1 ZINC000532584622 301161347 /nfs/dbraw/zinc/16/13/47/301161347.db2.gz QNVQWXIQARKXMX-UHFFFAOYSA-N 1 0 319.361 2.767 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000532648643 301165076 /nfs/dbraw/zinc/16/50/76/301165076.db2.gz PLKZEOKBOIFMHC-ZIAGYGMSSA-N 1 0 318.373 2.998 20 5 DFBDRO O=C1CCCN1CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000533539317 301206159 /nfs/dbraw/zinc/20/61/59/301206159.db2.gz JDAUZODBBCUCLC-UHFFFAOYSA-N 1 0 317.389 2.572 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1cc[nH]n1 ZINC000536627966 301283860 /nfs/dbraw/zinc/28/38/60/301283860.db2.gz CIZOPBRIGJGQSL-LLVKDONJSA-N 1 0 306.391 2.978 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC(=O)N(C(C)C)C1 ZINC000537979237 301315180 /nfs/dbraw/zinc/31/51/80/301315180.db2.gz YTUGVSGTWAOELP-OLZOCXBDSA-N 1 0 305.378 2.563 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21)C(C)(C)C ZINC000538391350 301321021 /nfs/dbraw/zinc/32/10/21/301321021.db2.gz XTKFMQGYDXXYDD-OAHLLOKOSA-N 1 0 319.405 2.898 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H]1CC1(C)C ZINC000539075464 301337809 /nfs/dbraw/zinc/33/78/09/301337809.db2.gz FWMNHWPWDDZZRZ-NWDGAFQWSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000540157173 301358994 /nfs/dbraw/zinc/35/89/94/301358994.db2.gz XGPWLZKOCQRCEM-JOYOIKCWSA-N 1 0 306.284 2.867 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1(C2CC2)CC1 ZINC000540751344 301368591 /nfs/dbraw/zinc/36/85/91/301368591.db2.gz CQJLSBAVMWLLSL-LLVKDONJSA-N 1 0 303.362 2.844 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000562691749 301990725 /nfs/dbraw/zinc/99/07/25/301990725.db2.gz LJRJZVQVOWKLPI-CYBMUJFWSA-N 1 0 312.373 2.818 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000562783073 302002430 /nfs/dbraw/zinc/00/24/30/302002430.db2.gz YVWHQCZDJDNOQX-ZDUSSCGKSA-N 1 0 300.362 2.895 20 5 DFBDRO CCCN1C[C@@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1=O ZINC000562949134 302016532 /nfs/dbraw/zinc/01/65/32/302016532.db2.gz HFRKDLGNAIFBLD-ZIAGYGMSSA-N 1 0 319.405 2.812 20 5 DFBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CO1 ZINC000563121491 302038811 /nfs/dbraw/zinc/03/88/11/302038811.db2.gz CINHYSZKGBGSJP-CMPLNLGQSA-N 1 0 319.386 2.985 20 5 DFBDRO Cc1ccccc1C[C@@H](C)N(C)Cc1c([N+](=O)[O-])ncn1C ZINC000564039817 302114822 /nfs/dbraw/zinc/11/48/22/302114822.db2.gz MMWSTWZPTJDBGB-CYBMUJFWSA-N 1 0 302.378 2.700 20 5 DFBDRO CSCCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000564077223 302117472 /nfs/dbraw/zinc/11/74/72/302117472.db2.gz KDXHFBKIFHFRNG-UHFFFAOYSA-N 1 0 311.407 2.656 20 5 DFBDRO CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000564325296 302128841 /nfs/dbraw/zinc/12/88/41/302128841.db2.gz LZVRNQNUYVYBAF-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO CCCC1(C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000564854928 302165277 /nfs/dbraw/zinc/16/52/77/302165277.db2.gz UHHKKPBTWLGOSP-AWEZNQCLSA-N 1 0 308.378 2.504 20 5 DFBDRO [NH3+]CCC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000565058842 302190147 /nfs/dbraw/zinc/19/01/47/302190147.db2.gz LIBKREDTHSUNRH-UHFFFAOYSA-N 1 0 300.362 2.708 20 5 DFBDRO CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1=O ZINC000565219591 302209080 /nfs/dbraw/zinc/20/90/80/302209080.db2.gz YZDCPISAMXBBKP-SMDDNHRTSA-N 1 0 317.389 2.571 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN1CCN(C(C)C)C(=O)C1 ZINC000565628525 302233515 /nfs/dbraw/zinc/23/35/15/302233515.db2.gz ZWTUREXKJYFWCR-NTEUORMPSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000565992501 302251926 /nfs/dbraw/zinc/25/19/26/302251926.db2.gz ITPDEZLOLOCYCS-KBXCAEBGSA-N 1 0 314.385 2.892 20 5 DFBDRO Cc1ccnc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1[N+](=O)[O-] ZINC000269384167 302274253 /nfs/dbraw/zinc/27/42/53/302274253.db2.gz ADLZSASRSVWQDM-ZFWWWQNUSA-N 1 0 316.405 2.751 20 5 DFBDRO CC1(C)[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])[C@@H]2CCO[C@H]21 ZINC000566474734 302290756 /nfs/dbraw/zinc/29/07/56/302290756.db2.gz INBGBDMHTGNRCD-SJXGUFTOSA-N 1 0 302.374 2.985 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000567614120 302373474 /nfs/dbraw/zinc/37/34/74/302373474.db2.gz UPDJPDSTJQBUHY-AWEZNQCLSA-N 1 0 319.405 2.768 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1 ZINC000567892643 302397145 /nfs/dbraw/zinc/39/71/45/302397145.db2.gz AXKPXCXTCKDARX-YCPHGPKFSA-N 1 0 322.405 2.893 20 5 DFBDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568500803 302454333 /nfs/dbraw/zinc/45/43/33/302454333.db2.gz GJXLHYOBOONYKT-OCCSQVGLSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC1(C[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000568990737 302489639 /nfs/dbraw/zinc/48/96/39/302489639.db2.gz HPIYNKSPORDZND-OAHLLOKOSA-N 1 0 322.405 2.895 20 5 DFBDRO CC(F)(F)CC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000571552247 302623033 /nfs/dbraw/zinc/62/30/33/302623033.db2.gz RGTGOHWFTUIHKG-UHFFFAOYSA-N 1 0 301.293 2.558 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000572115926 302643652 /nfs/dbraw/zinc/64/36/52/302643652.db2.gz DUYRGTHLZJXVET-AWEZNQCLSA-N 1 0 318.421 2.789 20 5 DFBDRO CC[NH+](CC)CCCCNC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000573149520 302693673 /nfs/dbraw/zinc/69/36/73/302693673.db2.gz RQJGZZZFUTXNCB-CQSZACIVSA-N 1 0 321.421 2.937 20 5 DFBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000171766867 315929543 /nfs/dbraw/zinc/92/95/43/315929543.db2.gz YRFHXMAHXSUVIU-YWPYICTPSA-N 1 0 305.378 2.724 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180393752 316033002 /nfs/dbraw/zinc/03/30/02/316033002.db2.gz DPGJWIIQBKQFDW-CYBMUJFWSA-N 1 0 313.357 2.908 20 5 DFBDRO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000181903740 316077592 /nfs/dbraw/zinc/07/75/92/316077592.db2.gz XKCUPFJRUCXHOM-GJZGRUSLSA-N 1 0 322.405 2.989 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCCCC1 ZINC000182939658 316124228 /nfs/dbraw/zinc/12/42/28/316124228.db2.gz VRXFBVWAHHKCED-LLVKDONJSA-N 1 0 305.378 2.752 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)CCC[NH+](C)C ZINC000183014212 316127150 /nfs/dbraw/zinc/12/71/50/316127150.db2.gz XMCGRVDITSEKPX-UHFFFAOYSA-N 1 0 308.382 2.627 20 5 DFBDRO CC[C@@H](C)[C@H](C)[NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000183039045 316128001 /nfs/dbraw/zinc/12/80/01/316128001.db2.gz CCODYFYMUSHKAQ-NEPJUHHUSA-N 1 0 323.393 2.956 20 5 DFBDRO CCOC(=O)C[C@@H](C)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000183182454 316133265 /nfs/dbraw/zinc/13/32/65/316133265.db2.gz YYQNVRZPZQYJSX-BUUCAEBMSA-N 1 0 306.362 2.882 20 5 DFBDRO C[C@@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H](C)C1CCCCC1 ZINC000185529186 316188120 /nfs/dbraw/zinc/18/81/20/316188120.db2.gz IOOGMXQQHRDDDU-UONOGXRCSA-N 1 0 321.421 2.951 20 5 DFBDRO O=[N+]([O-])c1ccc(CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000316485144 316245204 /nfs/dbraw/zinc/24/52/04/316245204.db2.gz XEIREMWNBMPNLY-DLBZAZTESA-N 1 0 303.406 2.744 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000414565684 316631867 /nfs/dbraw/zinc/63/18/67/316631867.db2.gz FHDHTRYDBOIENY-TZMCWYRMSA-N 1 0 308.378 2.634 20 5 DFBDRO Cc1cc(OCc2nc([C@H]([NH3+])CC(C)C)no2)ccc1[N+](=O)[O-] ZINC000414623757 316633938 /nfs/dbraw/zinc/63/39/38/316633938.db2.gz UROUBXZMFLZJCE-GFCCVEGCSA-N 1 0 320.349 2.911 20 5 DFBDRO CCc1ccc(C(=O)NC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000421679155 316744019 /nfs/dbraw/zinc/74/40/19/316744019.db2.gz HVHUEFRTCYHSSG-UHFFFAOYSA-N 1 0 319.405 2.760 20 5 DFBDRO COC1([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000421880246 316779091 /nfs/dbraw/zinc/77/90/91/316779091.db2.gz QEODSNFJSSNWKI-CHWSQXEVSA-N 1 0 308.378 2.830 20 5 DFBDRO CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@@H](C[NH3+])C1CC1 ZINC000423955028 316784406 /nfs/dbraw/zinc/78/44/06/316784406.db2.gz SLLBDTDJXZZMMV-LBPRGKRZSA-N 1 0 319.386 2.619 20 5 DFBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(Cn2cncn2)CC1 ZINC000426769196 316825657 /nfs/dbraw/zinc/82/56/57/316825657.db2.gz GTUPRYMWAVKKHR-ZDUSSCGKSA-N 1 0 315.377 2.660 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)c(F)c1 ZINC000449558104 317044597 /nfs/dbraw/zinc/04/45/97/317044597.db2.gz VUTHZIUQLRNAOL-JMSVASOKSA-N 1 0 308.353 2.717 20 5 DFBDRO COc1ccc(C[N@@H+](C)[C@H]2C[C@H](OC)C23CCC3)cc1[N+](=O)[O-] ZINC000449629863 317045368 /nfs/dbraw/zinc/04/53/68/317045368.db2.gz GRXNBUHBLWBONW-HOTGVXAUSA-N 1 0 320.389 2.993 20 5 DFBDRO CC(C)(C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1 ZINC000449643083 317046782 /nfs/dbraw/zinc/04/67/82/317046782.db2.gz HQMFIVLARMYVIP-GXTWGEPZSA-N 1 0 319.405 2.506 20 5 DFBDRO CCC[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450218459 317070948 /nfs/dbraw/zinc/07/09/48/317070948.db2.gz VRQSLXGZMHKHEW-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO CCC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C(C)(C)C ZINC000451442422 317112181 /nfs/dbraw/zinc/11/21/81/317112181.db2.gz VYCCSMRFGLRCPA-AWEZNQCLSA-N 1 0 307.394 2.998 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2COC)ccc1[N+](=O)[O-] ZINC000452036362 317120209 /nfs/dbraw/zinc/12/02/09/317120209.db2.gz IUIFSBAHBSJXGW-CQSZACIVSA-N 1 0 308.378 2.994 20 5 DFBDRO CC(C)[C@@H]1CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000488047957 317363030 /nfs/dbraw/zinc/36/30/30/317363030.db2.gz XHANDBXQSYUOIL-AWEZNQCLSA-N 1 0 318.377 2.508 20 5 DFBDRO CC(C)CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000491531266 317581162 /nfs/dbraw/zinc/58/11/62/317581162.db2.gz FTHOQZJGEOHUFZ-KTKRTIGZSA-N 1 0 319.405 2.654 20 5 DFBDRO COC(=O)N1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000497280936 317675943 /nfs/dbraw/zinc/67/59/43/317675943.db2.gz IGLUHVZALNTOGO-GFCCVEGCSA-N 1 0 321.377 2.724 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000525947432 317734099 /nfs/dbraw/zinc/73/40/99/317734099.db2.gz LDNAONBOGHIJDZ-OLZOCXBDSA-N 1 0 307.394 2.545 20 5 DFBDRO CC(C)OC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000531403526 317801178 /nfs/dbraw/zinc/80/11/78/317801178.db2.gz QFUODBRGELESMZ-UHFFFAOYSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1cc(NC[C@H]2CCOC[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000572746792 318002228 /nfs/dbraw/zinc/00/22/28/318002228.db2.gz MLOOWZTTZWUHQS-WCQYABFASA-N 1 0 315.373 2.958 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCOCC2CCC2)n1 ZINC000573410646 318018506 /nfs/dbraw/zinc/01/85/06/318018506.db2.gz MKNBGHIAWDYGAU-GJZGRUSLSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H](CO)Cc1ccccc1 ZINC000574926672 318051791 /nfs/dbraw/zinc/05/17/91/318051791.db2.gz JZKNXAGNWORTGG-YOEHRIQHSA-N 1 0 312.369 2.775 20 5 DFBDRO CC[NH+]1CCC(Nc2nc3c(cc2[N+](=O)[O-])CCCC3)CC1 ZINC000575119287 318064331 /nfs/dbraw/zinc/06/43/31/318064331.db2.gz KNCMQZAGWHNUJL-UHFFFAOYSA-N 1 0 304.394 2.765 20 5 DFBDRO Cc1nccn1CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576052627 318100886 /nfs/dbraw/zinc/10/08/86/318100886.db2.gz QISINBFJMUILIZ-OAHLLOKOSA-N 1 0 300.362 2.767 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000576241830 318113900 /nfs/dbraw/zinc/11/39/00/318113900.db2.gz GXWAUDMSLHZMLC-AWEZNQCLSA-N 1 0 321.421 2.958 20 5 DFBDRO C[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000576296042 318117202 /nfs/dbraw/zinc/11/72/02/318117202.db2.gz ZECYIBYIUQJKLH-KGLIPLIRSA-N 1 0 319.405 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000576471200 318129041 /nfs/dbraw/zinc/12/90/41/318129041.db2.gz DKAVPLOHFOGWTJ-QWHCGFSZSA-N 1 0 302.378 2.919 20 5 DFBDRO CN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccccc1[N+](=O)[O-] ZINC000577117557 318172258 /nfs/dbraw/zinc/17/22/58/318172258.db2.gz WNPSDDYWUTXTIG-UHFFFAOYSA-N 1 0 311.385 2.873 20 5 DFBDRO C[C@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000577864728 318223138 /nfs/dbraw/zinc/22/31/38/318223138.db2.gz STFHZRSCYDRBDH-LBPRGKRZSA-N 1 0 305.378 2.504 20 5 DFBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H](O)C(F)(F)F ZINC000578906171 318294881 /nfs/dbraw/zinc/29/48/81/318294881.db2.gz JWCRXJUVMAGIBB-GMXVVIOVSA-N 1 0 318.295 2.874 20 5 DFBDRO Cc1cnc(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)s1 ZINC000579182442 318311862 /nfs/dbraw/zinc/31/18/62/318311862.db2.gz PUHQVMXLWNTFIR-VXGBXAGGSA-N 1 0 321.406 2.830 20 5 DFBDRO COC1(C[C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000579665686 318345231 /nfs/dbraw/zinc/34/52/31/318345231.db2.gz PGRAJGPZQVCBTO-ZDUSSCGKSA-N 1 0 308.378 2.911 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000579706134 318348882 /nfs/dbraw/zinc/34/88/82/318348882.db2.gz YBRAIXJHDBKVOL-CZUORRHYSA-N 1 0 320.389 2.994 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CCO1 ZINC000579876405 318360163 /nfs/dbraw/zinc/36/01/63/318360163.db2.gz APUCLEUZUADORD-DGCLKSJQSA-N 1 0 303.362 2.776 20 5 DFBDRO C[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+]1CCCC1 ZINC000580093181 318375794 /nfs/dbraw/zinc/37/57/94/318375794.db2.gz BJGUHNOCTVISGQ-BBRMVZONSA-N 1 0 303.406 2.904 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)NCCC[NH+]1CCCCCC1 ZINC000192703746 323246672 /nfs/dbraw/zinc/24/66/72/323246672.db2.gz GBKWGOJVEUSSBL-UHFFFAOYSA-N 1 0 319.405 2.899 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000194362296 323267557 /nfs/dbraw/zinc/26/75/57/323267557.db2.gz RNAYWLLCQYHTOL-IVMMDQJWSA-N 1 0 308.378 2.503 20 5 DFBDRO [NH3+]C[C@H]1CC[C@@H](Nc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000382435840 323298646 /nfs/dbraw/zinc/29/86/46/323298646.db2.gz VNZYYQSRMJWDOD-WCBMZHEXSA-N 1 0 314.183 2.897 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc([N+](=O)[O-])cc1Br ZINC000389713848 323336452 /nfs/dbraw/zinc/33/64/52/323336452.db2.gz ZPWJSIHKKFKVRK-PRHODGIISA-N 1 0 314.183 2.767 20 5 DFBDRO C[N@@H+]1CCC[C@H](CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])C1 ZINC000389600215 323336534 /nfs/dbraw/zinc/33/65/34/323336534.db2.gz STLHNERSHBHXRZ-SECBINFHSA-N 1 0 318.299 2.762 20 5 DFBDRO Cc1cc(N2CC[C@@H]3[NH2+]CC[C@H]3C2)c2cccc([N+](=O)[O-])c2n1 ZINC000580534026 323399126 /nfs/dbraw/zinc/39/91/26/323399126.db2.gz KKQIMZWUDXVOAC-JSGCOSHPSA-N 1 0 312.373 2.640 20 5 DFBDRO COC1(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000583969570 323941436 /nfs/dbraw/zinc/94/14/36/323941436.db2.gz SGTABNLTFAYDFC-UHFFFAOYSA-N 1 0 308.378 2.913 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3ccccc3c3cccnc23)C[C@H]1[NH3+] ZINC000423958598 337729954 /nfs/dbraw/zinc/72/99/54/337729954.db2.gz DSYJMNUTVFHKNG-SJKOYZFVSA-N 1 0 305.381 2.807 20 5 DFBDRO COc1cc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000305812908 533787465 /nfs/dbraw/zinc/78/74/65/533787465.db2.gz IRGLEORNTWBYML-UKRRQHHQSA-N 1 0 308.378 2.586 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294645073 533981435 /nfs/dbraw/zinc/98/14/35/533981435.db2.gz GLGYNFGUANJUJX-JPYFCXBMSA-N 1 0 305.378 2.785 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294645075 533986743 /nfs/dbraw/zinc/98/67/43/533986743.db2.gz GLGYNFGUANJUJX-PNEXNCLXSA-N 1 0 305.378 2.785 20 5 DFBDRO Cc1nc(NC2CC[NH+](C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000297347085 534487156 /nfs/dbraw/zinc/48/71/56/534487156.db2.gz BEWKIVMPQSRRHV-UHFFFAOYSA-N 1 0 305.382 2.512 20 5 DFBDRO [NH3+]C[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 ZINC000297430464 534689285 /nfs/dbraw/zinc/68/92/85/534689285.db2.gz SUVKJUZOWDGPIU-SNVBAGLBSA-N 1 0 319.386 2.620 20 5 DFBDRO C[N@@H+]1CCCC12CCN(c1c3c(ccc1[N+](=O)[O-])NCC3)CC2 ZINC000364972311 523791036 /nfs/dbraw/zinc/79/10/36/523791036.db2.gz MZWLHDVNXOSRRM-UHFFFAOYSA-N 1 0 316.405 2.627 20 5 DFBDRO COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369271 523830230 /nfs/dbraw/zinc/83/02/30/523830230.db2.gz IILNBVHTTGZNDL-LSDHHAIUSA-N 1 0 321.421 2.665 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000317198493 534810191 /nfs/dbraw/zinc/81/01/91/534810191.db2.gz LBWLUNUIAQVDJU-WDEREUQCSA-N 1 0 323.780 2.605 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364793181 525456889 /nfs/dbraw/zinc/45/68/89/525456889.db2.gz PHODNSRWYCCXAH-FVQBIDKESA-N 1 0 320.389 2.849 20 5 DFBDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](Cc2c([N+](=O)[O-])ncn2C)C1 ZINC000368608158 525464394 /nfs/dbraw/zinc/46/43/94/525464394.db2.gz LXISTTJEZVBHNE-TZMCWYRMSA-N 1 0 300.362 2.911 20 5 DFBDRO Cc1ccn(C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)n1 ZINC000364890181 525588901 /nfs/dbraw/zinc/58/89/01/525588901.db2.gz URCZHSGDZJNBFE-UHFFFAOYSA-N 1 0 300.362 2.937 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1O ZINC000330716366 526672046 /nfs/dbraw/zinc/67/20/46/526672046.db2.gz UHBDLHQVZZYKIY-HIFRSBDPSA-N 1 0 322.405 2.703 20 5 DFBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1O ZINC000330701508 526732622 /nfs/dbraw/zinc/73/26/22/526732622.db2.gz HUCLHEZFHXNBGK-HOTGVXAUSA-N 1 0 322.405 2.703 20 5 DFBDRO O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000365167189 527375119 /nfs/dbraw/zinc/37/51/19/527375119.db2.gz CIQMIMOZIQTULD-ZDUSSCGKSA-N 1 0 318.377 2.733 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000330938386 527825659 /nfs/dbraw/zinc/82/56/59/527825659.db2.gz BRDWTOXQMAUUBZ-DOMZBBRYSA-N 1 0 320.393 2.931 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000298439471 528231415 /nfs/dbraw/zinc/23/14/15/528231415.db2.gz OTDAPDWLYDBVBW-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3ccc([N+](=O)[O-])cn3)C2)CC1 ZINC000299612531 528250495 /nfs/dbraw/zinc/25/04/95/528250495.db2.gz XSSJJOHHZJUEON-HNNXBMFYSA-N 1 0 318.421 2.938 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)ccc1[N+](=O)[O-] ZINC000292837590 528265269 /nfs/dbraw/zinc/26/52/69/528265269.db2.gz UPUAUDSXFCAVNJ-MRXNPFEDSA-N 1 0 320.389 2.873 20 5 DFBDRO CC(C)[C@@H]([NH3+])CCN(C)c1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000317340224 528509630 /nfs/dbraw/zinc/50/96/30/528509630.db2.gz XXUDBRPMFPIYJS-AWEZNQCLSA-N 1 0 302.378 2.953 20 5 DFBDRO CC(C)[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])CCCO1 ZINC000293015818 528746158 /nfs/dbraw/zinc/74/61/58/528746158.db2.gz KVDVMTSUCBVUMF-INIZCTEOSA-N 1 0 308.378 2.721 20 5 DFBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)[C@H](C)CO ZINC000293567525 528768617 /nfs/dbraw/zinc/76/86/17/528768617.db2.gz MRNMHGGELGVBQR-SECBINFHSA-N 1 0 306.284 2.816 20 5 DFBDRO CC[N@@H+]1CCCC[C@H]1CNc1c2c(ccc1[N+](=O)[O-])NCC2 ZINC000302404196 529015365 /nfs/dbraw/zinc/01/53/65/529015365.db2.gz FMOPNAXSSYGKEF-LBPRGKRZSA-N 1 0 304.394 2.849 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)C(F)F ZINC000295117389 529185012 /nfs/dbraw/zinc/18/50/12/529185012.db2.gz VZKZUWLSKMJSJL-MNOVXSKESA-N 1 0 308.712 2.742 20 5 DFBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000318636861 529343662 /nfs/dbraw/zinc/34/36/62/529343662.db2.gz OETHJSYGAMIOLA-LLVKDONJSA-N 1 0 309.366 2.524 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000361417030 535021887 /nfs/dbraw/zinc/02/18/87/535021887.db2.gz VRMUGHQLDLTKNR-HNNXBMFYSA-N 1 0 308.378 2.727 20 5 DFBDRO CCCN(C(=O)Nc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000261794131 535226325 /nfs/dbraw/zinc/22/63/25/535226325.db2.gz YCMIVZOXQIKTLX-UHFFFAOYSA-N 1 0 306.366 2.591 20 5 DFBDRO CCC[NH+]1CCC(CNC(=O)c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000354549492 535353047 /nfs/dbraw/zinc/35/30/47/535353047.db2.gz JFGFUZAAHNPAPF-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000245511128 535420960 /nfs/dbraw/zinc/42/09/60/535420960.db2.gz XOJJHWFEBRQBOT-CORIIIEPSA-N 1 0 308.378 2.948 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cccn2)cc1[N+](=O)[O-] ZINC000357999550 535421281 /nfs/dbraw/zinc/42/12/81/535421281.db2.gz ACVYKOUXZNOXRE-OLZOCXBDSA-N 1 0 318.377 2.929 20 5 DFBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000358214538 535997050 /nfs/dbraw/zinc/99/70/50/535997050.db2.gz VHWGCHVKUMKJBL-HOTGVXAUSA-N 1 0 308.378 2.599 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cccc([N+](=O)[O-])c1 ZINC000361377112 536164032 /nfs/dbraw/zinc/16/40/32/536164032.db2.gz IIYTYCLWRKJABC-HOCLYGCPSA-N 1 0 317.389 2.684 20 5 DFBDRO CCc1nn(C)c(NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000361044331 536180798 /nfs/dbraw/zinc/18/07/98/536180798.db2.gz SRBOWWADVSXSBN-ZDUSSCGKSA-N 1 0 323.441 2.671 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736135207 598274630 /nfs/dbraw/zinc/27/46/30/598274630.db2.gz OCHUUYLQNACEKR-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO C[C@@H](NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000278390917 214136167 /nfs/dbraw/zinc/13/61/67/214136167.db2.gz CWMKSHLFTCZRHY-LSDHHAIUSA-N 1 0 321.421 2.746 20 5 DFBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1 ZINC000278548398 214227702 /nfs/dbraw/zinc/22/77/02/214227702.db2.gz BCJLHTFOKSINLD-KBPBESRZSA-N 1 0 314.769 2.532 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CCO)c2ccccc2)cc1F ZINC000278548924 214229115 /nfs/dbraw/zinc/22/91/15/214229115.db2.gz HCADTKHLGNKDQU-HNNXBMFYSA-N 1 0 304.321 2.947 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1F)c1ccsc1 ZINC000413034358 295669992 /nfs/dbraw/zinc/66/99/92/295669992.db2.gz BDIUMWZZLOUCOH-GFCCVEGCSA-N 1 0 310.354 2.905 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000078877818 185121934 /nfs/dbraw/zinc/12/19/34/185121934.db2.gz ORIGUUIQWOOMSV-MRXNPFEDSA-N 1 0 304.321 2.866 20 5 DFBDRO Cc1ccc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000278644057 214297977 /nfs/dbraw/zinc/29/79/77/214297977.db2.gz LSRIJWKKSKLJID-UHFFFAOYSA-N 1 0 304.390 2.936 20 5 DFBDRO CC[NH+](CC)CC1CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000413059834 295672895 /nfs/dbraw/zinc/67/28/95/295672895.db2.gz HMMQJPHIAAOCTC-UHFFFAOYSA-N 1 0 310.373 2.687 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000278729946 214360589 /nfs/dbraw/zinc/36/05/89/214360589.db2.gz JBGUMXLKSCADKB-IVMMDQJWSA-N 1 0 308.378 2.748 20 5 DFBDRO C[C@H]1C[C@H](Nc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC[N@@H+]1C ZINC000318281531 231167668 /nfs/dbraw/zinc/16/76/68/231167668.db2.gz LKDDPPUKTDUYFL-DTWKUNHWSA-N 1 0 318.299 2.903 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1NCCC[NH2+]Cc1cccnc1 ZINC000316796270 231153788 /nfs/dbraw/zinc/15/37/88/231153788.db2.gz BZFWKHDGOPPUGM-UHFFFAOYSA-N 1 0 300.362 2.890 20 5 DFBDRO C[N@@H+]1CCC[C@@H]2CN(c3c(Cl)cncc3[N+](=O)[O-])CC[C@@H]21 ZINC000596167634 398346223 /nfs/dbraw/zinc/34/62/23/398346223.db2.gz FPAIDCYWVKILOK-PWSUYJOCSA-N 1 0 310.785 2.564 20 5 DFBDRO O=[N+]([O-])c1ccc(N[C@H]2CCN(c3[nH+]ccc4[nH]ccc43)C2)nc1 ZINC000596176012 398348191 /nfs/dbraw/zinc/34/81/91/398348191.db2.gz ZEIBLXCHGPNMTK-NSHDSACASA-N 1 0 324.344 2.557 20 5 DFBDRO CCC[C@H]([NH3+])c1cn(Cc2ccc(Cl)cc2[N+](=O)[O-])nn1 ZINC000229964461 398355608 /nfs/dbraw/zinc/35/56/08/398355608.db2.gz GLQUNXZCRWDXON-NSHDSACASA-N 1 0 309.757 2.688 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000007365402 398361370 /nfs/dbraw/zinc/36/13/70/398361370.db2.gz BYZQXYRMSIQCOO-UHFFFAOYSA-N 1 0 318.764 2.970 20 5 DFBDRO Cc1cc(NCC[NH2+]C2CC2)c(Br)cc1[N+](=O)[O-] ZINC000235881118 398362058 /nfs/dbraw/zinc/36/20/58/398362058.db2.gz AEFJLSGZZNTGIC-UHFFFAOYSA-N 1 0 314.183 2.830 20 5 DFBDRO CC[C@H](C)[NH2+][C@@H](CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccco1 ZINC000596229719 398363131 /nfs/dbraw/zinc/36/31/31/398363131.db2.gz DWKAMJKHZMJDGX-JQWIXIFHSA-N 1 0 320.349 2.830 20 5 DFBDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000596244417 398366116 /nfs/dbraw/zinc/36/61/16/398366116.db2.gz QJLYKEWLIKEEEE-RISCZKNCSA-N 1 0 300.362 2.672 20 5 DFBDRO CN(CCCC[NH+](C)C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000081791475 398370281 /nfs/dbraw/zinc/37/02/81/398370281.db2.gz UCZNEZDLYGLOOM-UHFFFAOYSA-N 1 0 313.785 2.662 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)C1 ZINC000170856134 282200106 /nfs/dbraw/zinc/20/01/06/282200106.db2.gz LYGJWJXCKOGTKE-CYBMUJFWSA-N 1 0 319.405 2.668 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000008350944 398372101 /nfs/dbraw/zinc/37/21/01/398372101.db2.gz XGOYOXLTAZSMAB-ZDUSSCGKSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000596268113 398372117 /nfs/dbraw/zinc/37/21/17/398372117.db2.gz GHNYWKROPZHFQD-UHFFFAOYSA-N 1 0 319.405 2.594 20 5 DFBDRO CCc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000081849283 398373639 /nfs/dbraw/zinc/37/36/39/398373639.db2.gz JHDGDKJADKTPIF-HUUCEWRRSA-N 1 0 317.389 2.514 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090068825 185280501 /nfs/dbraw/zinc/28/05/01/185280501.db2.gz BIHULIPOQNEBDS-WFASDCNBSA-N 1 0 307.394 2.891 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ncnc2sc([N+](=O)[O-])cc21 ZINC000596309425 398382705 /nfs/dbraw/zinc/38/27/05/398382705.db2.gz RJLNKGRHCVKXML-VIFPVBQESA-N 1 0 321.406 2.884 20 5 DFBDRO C[NH+]1CCC(C)(CNc2ncnc3sc([N+](=O)[O-])cc32)CC1 ZINC000286596703 219073725 /nfs/dbraw/zinc/07/37/25/219073725.db2.gz ULLFXKNVTFWCKF-UHFFFAOYSA-N 1 0 321.406 2.743 20 5 DFBDRO CCCC[N@H+](CCOC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171318 398383922 /nfs/dbraw/zinc/38/39/22/398383922.db2.gz JJCIKWALXKSWBB-UHFFFAOYSA-N 1 0 307.350 2.985 20 5 DFBDRO O=[N+]([O-])c1ccccc1NCC1CC[NH+](C2CCOCC2)CC1 ZINC000596314481 398384254 /nfs/dbraw/zinc/38/42/54/398384254.db2.gz GYZCSDUJOFSEJF-UHFFFAOYSA-N 1 0 319.405 2.898 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)cc1[N+](=O)[O-] ZINC000090453928 185297331 /nfs/dbraw/zinc/29/73/31/185297331.db2.gz WJYZJUISOWAYPK-SMDDNHRTSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1ccc2c(c1)[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)CCCO2 ZINC000090539428 185301673 /nfs/dbraw/zinc/30/16/73/185301673.db2.gz NAQSVMONBVTROB-OAHLLOKOSA-N 1 0 316.361 2.603 20 5 DFBDRO C[NH+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c3ncccc23)C1 ZINC000413242405 295689963 /nfs/dbraw/zinc/68/99/63/295689963.db2.gz LCJIHVDXWVDORX-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO C[C@@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C[NH+](C)C ZINC000413296573 295694935 /nfs/dbraw/zinc/69/49/35/295694935.db2.gz DKDVNNXLUOTNHG-QMMMGPOBSA-N 1 0 306.288 2.618 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[NH2+]C2(c3ccccc3Cl)CC2)n1 ZINC000592137076 398390055 /nfs/dbraw/zinc/39/00/55/398390055.db2.gz ABJVIEPAYVVYFC-UHFFFAOYSA-N 1 0 306.753 2.724 20 5 DFBDRO CC(=O)c1ccc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000014327092 398390069 /nfs/dbraw/zinc/39/00/69/398390069.db2.gz TYSMITTYHBMDHH-UHFFFAOYSA-N 1 0 303.362 2.836 20 5 DFBDRO COc1ccc(C[N@@H+]2CC3(C[C@H]2C)CCOCC3)cc1[N+](=O)[O-] ZINC000592181817 398397770 /nfs/dbraw/zinc/39/77/70/398397770.db2.gz IDOPSTYJMMKZRM-CYBMUJFWSA-N 1 0 320.389 2.994 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3cccn3)C2)cc1[N+](=O)[O-] ZINC000092967451 185350642 /nfs/dbraw/zinc/35/06/42/185350642.db2.gz PDSZQYPRELCSOV-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO O=C(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592180275 398397457 /nfs/dbraw/zinc/39/74/57/398397457.db2.gz CMSDDLJJAHAMSZ-MVWJERBFSA-N 1 0 323.780 2.965 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000181550272 199316001 /nfs/dbraw/zinc/31/60/01/199316001.db2.gz VHZQOMUTXQZQGJ-CZUORRHYSA-N 1 0 319.405 2.894 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1[N+](=O)[O-] ZINC000592247952 398407724 /nfs/dbraw/zinc/40/77/24/398407724.db2.gz QJBGQPWQAAUETK-WFASDCNBSA-N 1 0 317.389 2.542 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000248535072 398406945 /nfs/dbraw/zinc/40/69/45/398406945.db2.gz XBLBIDLBFJJAOK-FRFSOERESA-N 1 0 322.405 2.845 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592254481 398408323 /nfs/dbraw/zinc/40/83/23/398408323.db2.gz FCSJILXRQKFETJ-NWDGAFQWSA-N 1 0 323.418 2.508 20 5 DFBDRO C[C@@H](CCNc1ncc(Br)cc1[N+](=O)[O-])[NH+](C)C ZINC000596433229 398410516 /nfs/dbraw/zinc/41/05/16/398410516.db2.gz SJXVJDUBUGOADI-QMMMGPOBSA-N 1 0 317.187 2.504 20 5 DFBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])c(OC(F)F)c1)[NH+](C)C ZINC000596428716 398409708 /nfs/dbraw/zinc/40/97/08/398409708.db2.gz GZENBEFULLVORN-VIFPVBQESA-N 1 0 303.309 2.948 20 5 DFBDRO C[C@H](CCNc1ncc([N+](=O)[O-])cc1C(F)(F)F)[NH+](C)C ZINC000596433251 398410210 /nfs/dbraw/zinc/41/02/10/398410210.db2.gz SRJSEZYYPYRBEP-MRVPVSSYSA-N 1 0 306.288 2.761 20 5 DFBDRO C[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000592326574 398412444 /nfs/dbraw/zinc/41/24/44/398412444.db2.gz QCZJLXRLQITPNB-SNVBAGLBSA-N 1 0 323.418 2.707 20 5 DFBDRO CC[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1[NH3+] ZINC000592330463 398412538 /nfs/dbraw/zinc/41/25/38/398412538.db2.gz AYLYOGRIGOERKN-MFKMUULPSA-N 1 0 317.345 2.540 20 5 DFBDRO CC[C@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1[NH3+] ZINC000592330462 398412541 /nfs/dbraw/zinc/41/25/41/398412541.db2.gz AYLYOGRIGOERKN-GXFFZTMASA-N 1 0 317.345 2.540 20 5 DFBDRO CC[C@@H](NC(=O)NCC[C@H](C)[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000596454189 398416426 /nfs/dbraw/zinc/41/64/26/398416426.db2.gz NCOCINQQJBKCPL-SWLSCSKDSA-N 1 0 322.409 2.685 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)NCC[C@H](C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000596451784 398416513 /nfs/dbraw/zinc/41/65/13/398416513.db2.gz AZWMMYLNAUUAAH-QWHCGFSZSA-N 1 0 322.409 2.604 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](CO)C[C@@H](C)CC ZINC000592375125 398417115 /nfs/dbraw/zinc/41/71/15/398417115.db2.gz RLTMCAZUMPDPDD-GXTWGEPZSA-N 1 0 310.394 2.880 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H](C)CC(F)F)c([N+](=O)[O-])cc1OC ZINC000592372813 398417123 /nfs/dbraw/zinc/41/71/23/398417123.db2.gz RMNAODXRGWPYNR-VIFPVBQESA-N 1 0 318.320 2.993 20 5 DFBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000596443441 398413613 /nfs/dbraw/zinc/41/36/13/398413613.db2.gz ZSIAPZUDSKJPCQ-LBPRGKRZSA-N 1 0 320.393 2.837 20 5 DFBDRO O=[N+]([O-])c1ccc(SCc2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000592357891 398415590 /nfs/dbraw/zinc/41/55/90/398415590.db2.gz SNMLZKOFHSMJQF-NSHDSACASA-N 1 0 306.347 2.695 20 5 DFBDRO O=c1[nH]ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)c1[N+](=O)[O-] ZINC000596478694 398424177 /nfs/dbraw/zinc/42/41/77/398424177.db2.gz JCSFCUNZDXHTSZ-NSHDSACASA-N 1 0 306.366 2.514 20 5 DFBDRO Cc1c(NC(=O)N[C@H]2CC[NH2+]C23CCCC3)cccc1[N+](=O)[O-] ZINC000592422289 398424510 /nfs/dbraw/zinc/42/45/10/398424510.db2.gz KMJCFMGXYOPXQO-AWEZNQCLSA-N 1 0 318.377 2.699 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000592438327 398425572 /nfs/dbraw/zinc/42/55/72/398425572.db2.gz KVDJDNAHLZATLW-GMNBZTITSA-N 1 0 301.390 2.872 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1[N+](=O)[O-] ZINC000592397535 398421043 /nfs/dbraw/zinc/42/10/43/398421043.db2.gz NCEVJYKYFVUAMN-SUMWQHHRSA-N 1 0 322.405 2.731 20 5 DFBDRO C[N@H+](CC(C)(C)C)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000067379533 398432071 /nfs/dbraw/zinc/43/20/71/398432071.db2.gz KWFBKJITKFDZSI-AWEZNQCLSA-N 1 0 305.378 2.678 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000088725535 398440910 /nfs/dbraw/zinc/44/09/10/398440910.db2.gz SQCPNJFSSAHRMM-RRFJBIMHSA-N 1 0 301.390 2.824 20 5 DFBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H](O)C(F)(F)F ZINC000585727001 398441762 /nfs/dbraw/zinc/44/17/62/398441762.db2.gz SEMYFPFZGTUQDL-UWVGGRQHSA-N 1 0 312.313 2.694 20 5 DFBDRO Cc1ccnc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)c1[N+](=O)[O-] ZINC000596558308 398447108 /nfs/dbraw/zinc/44/71/08/398447108.db2.gz QDPKPZPYRWOEQO-OAHLLOKOSA-N 1 0 312.373 2.985 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562328 398447979 /nfs/dbraw/zinc/44/79/79/398447979.db2.gz LNUKFRHDYVAICD-UHFFFAOYSA-N 1 0 321.425 2.654 20 5 DFBDRO Nc1c(F)c(NC[C@H]2CCC[N@H+](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000596570464 398449830 /nfs/dbraw/zinc/44/98/30/398449830.db2.gz LZGKOTYDROFXCA-GFCCVEGCSA-N 1 0 322.384 2.850 20 5 DFBDRO O=[N+]([O-])c1cncc(Cl)c1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570042 398450070 /nfs/dbraw/zinc/45/00/70/398450070.db2.gz HOXFLFZFTVBUGB-LBPRGKRZSA-N 1 0 324.812 2.599 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CCC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000026159421 398450555 /nfs/dbraw/zinc/45/05/55/398450555.db2.gz WVHHKSJMYUNAOZ-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000026159257 398450579 /nfs/dbraw/zinc/45/05/79/398450579.db2.gz FRHSDVCVFZQDMZ-LBPRGKRZSA-N 1 0 305.378 2.964 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)CC1 ZINC000026219111 398450972 /nfs/dbraw/zinc/45/09/72/398450972.db2.gz BXLZBYLDBXNROR-UHFFFAOYSA-N 1 0 321.377 2.664 20 5 DFBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000026478526 398454782 /nfs/dbraw/zinc/45/47/82/398454782.db2.gz LTUCECYJGOTXDH-IJEWVQPXSA-N 1 0 322.405 2.845 20 5 DFBDRO C[N@@H+]1CCC[C@]2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834881 530065496 /nfs/dbraw/zinc/06/54/96/530065496.db2.gz ATVCSYLXCIRSJZ-INIZCTEOSA-N 1 0 307.369 2.652 20 5 DFBDRO C[N@@H+]1CCC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834883 530059724 /nfs/dbraw/zinc/05/97/24/530059724.db2.gz ATVCSYLXCIRSJZ-MRXNPFEDSA-N 1 0 307.369 2.652 20 5 DFBDRO CC1(C)Cc2n[nH]cc2CN(Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000596596525 398456501 /nfs/dbraw/zinc/45/65/01/398456501.db2.gz CBDQMFBVBIBQPX-UHFFFAOYSA-N 1 0 316.361 2.608 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000067949192 398467766 /nfs/dbraw/zinc/46/77/66/398467766.db2.gz WXAFBLFRCRROHO-ZDUSSCGKSA-N 1 0 320.305 2.811 20 5 DFBDRO CCOc1ccc([C@@H](C)NCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000596648235 398471627 /nfs/dbraw/zinc/47/16/27/398471627.db2.gz MXEIDUDIVJPDJA-GFCCVEGCSA-N 1 0 307.394 2.916 20 5 DFBDRO CC(=O)c1cc(N2CCC[C@H]([NH2+]C(C)C)C2)ccc1[N+](=O)[O-] ZINC000587626495 398472010 /nfs/dbraw/zinc/47/20/10/398472010.db2.gz ZPZBQBYUSNDRQC-ZDUSSCGKSA-N 1 0 305.378 2.764 20 5 DFBDRO CCOc1ccccc1[C@@H](C)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000090537747 398489386 /nfs/dbraw/zinc/48/93/86/398489386.db2.gz ZOZSNSGOTKVEGQ-GFCCVEGCSA-N 1 0 304.350 2.541 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCOc1cccc([N+](=O)[O-])c1 ZINC000286780765 219162094 /nfs/dbraw/zinc/16/20/94/219162094.db2.gz HIHZFCCMEVQCBZ-RHSMWYFYSA-N 1 0 319.405 2.532 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000090800202 398493077 /nfs/dbraw/zinc/49/30/77/398493077.db2.gz IVRJTPSDFBOYPU-XGNXJENSSA-N 1 0 308.378 2.948 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000181812506 199356258 /nfs/dbraw/zinc/35/62/58/199356258.db2.gz ISMZZKWGIXHBRY-CQSZACIVSA-N 1 0 319.405 2.812 20 5 DFBDRO C[C@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000272539750 290767069 /nfs/dbraw/zinc/76/70/69/290767069.db2.gz JLXAACCJVFEKMM-RYUDHWBXSA-N 1 0 319.405 2.715 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccc(CO)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000305767822 398506586 /nfs/dbraw/zinc/50/65/86/398506586.db2.gz FYFRNIASADGMBW-CYBMUJFWSA-N 1 0 300.358 2.980 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689097 210095502 /nfs/dbraw/zinc/09/55/02/210095502.db2.gz WUGCVZDNJVIHEU-BWTRYIQHSA-N 1 0 301.390 2.634 20 5 DFBDRO Cc1ccc(C[N@H+](CCO)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000181963851 199368024 /nfs/dbraw/zinc/36/80/24/199368024.db2.gz DRGVIQXZCOPMFG-UHFFFAOYSA-N 1 0 300.358 2.898 20 5 DFBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c3cnccc23)C1 ZINC000068722773 398522751 /nfs/dbraw/zinc/52/27/51/398522751.db2.gz FUNGIVZMBKVKMP-LBPRGKRZSA-N 1 0 300.362 2.897 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000279660695 215040415 /nfs/dbraw/zinc/04/04/15/215040415.db2.gz CNHNSDCDLIPTDT-JSGCOSHPSA-N 1 0 308.378 2.729 20 5 DFBDRO C[C@@H](CSc1ccccc1)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000593045456 398529693 /nfs/dbraw/zinc/52/96/93/398529693.db2.gz IYIVGBAKSQHYEU-ZDUSSCGKSA-N 1 0 320.418 2.904 20 5 DFBDRO CCC[N@@H+]1CC[C@H](CNc2cc(OC)c([N+](=O)[O-])cc2F)C1 ZINC000091457696 398530188 /nfs/dbraw/zinc/53/01/88/398530188.db2.gz QNLOPZOQCOSWFO-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO COc1ccc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1[N+](=O)[O-] ZINC000286893721 219214191 /nfs/dbraw/zinc/21/41/91/219214191.db2.gz LGXRGUSJESLGGI-UKRRQHHQSA-N 1 0 319.405 2.662 20 5 DFBDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206497 398538142 /nfs/dbraw/zinc/53/81/42/398538142.db2.gz OVHDIQGNISMXBA-BBRMVZONSA-N 1 0 307.369 2.650 20 5 DFBDRO COCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000068911172 398537611 /nfs/dbraw/zinc/53/76/11/398537611.db2.gz SCQFUGQMNRDXAI-LBPRGKRZSA-N 1 0 313.785 2.771 20 5 DFBDRO COc1ccc(CN2CCC[N@@H+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000069081753 398547293 /nfs/dbraw/zinc/54/72/93/398547293.db2.gz VAXLGHBQEBQLHK-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[N@H+](CC)C[C@H]1C ZINC000589371603 398549122 /nfs/dbraw/zinc/54/91/22/398549122.db2.gz PAIQOUCKTJOGCY-ABAIWWIYSA-N 1 0 320.393 2.619 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000589374608 398549268 /nfs/dbraw/zinc/54/92/68/398549268.db2.gz FIWFJHJXWZWFCF-GFCCVEGCSA-N 1 0 320.393 2.715 20 5 DFBDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000279776427 215135491 /nfs/dbraw/zinc/13/54/91/215135491.db2.gz NIWNRPOWBHNBGD-KGLIPLIRSA-N 1 0 308.378 2.599 20 5 DFBDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286998769 219262800 /nfs/dbraw/zinc/26/28/00/219262800.db2.gz QVRJVTSJCAVJRT-SWLSCSKDSA-N 1 0 307.369 2.793 20 5 DFBDRO CSC1(CNc2sccc2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000589605353 398563193 /nfs/dbraw/zinc/56/31/93/398563193.db2.gz UKDOXWXJMSJYKY-UHFFFAOYSA-N 1 0 301.437 2.896 20 5 DFBDRO Cc1cccc(C(=O)NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000041670699 398571610 /nfs/dbraw/zinc/57/16/10/398571610.db2.gz PNBMZRXLCOJFSH-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H]2CN(c3ccnc4cc([N+](=O)[O-])ccc43)C[C@@H]21 ZINC000593229659 398576180 /nfs/dbraw/zinc/57/61/80/398576180.db2.gz PKVSKBLLNBQSTJ-BYCMXARLSA-N 1 0 312.373 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593232464 398577015 /nfs/dbraw/zinc/57/70/15/398577015.db2.gz OLPLLUXJIPRAIO-VXGBXAGGSA-N 1 0 300.362 2.707 20 5 DFBDRO CCCN(c1ccnc2cc([N+](=O)[O-])ccc21)[C@H]1CC[NH2+]C1 ZINC000593232783 398576704 /nfs/dbraw/zinc/57/67/04/398576704.db2.gz PUCOLYKIADBQTH-ZDUSSCGKSA-N 1 0 300.362 2.721 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000071148319 190936286 /nfs/dbraw/zinc/93/62/86/190936286.db2.gz PGRCZDCIVYXCND-VIFPVBQESA-N 1 0 303.284 2.659 20 5 DFBDRO C[NH2+]Cc1ccccc1CNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000593234366 398577401 /nfs/dbraw/zinc/57/74/01/398577401.db2.gz GBLWBFUHTASNNI-UHFFFAOYSA-N 1 0 300.362 2.938 20 5 DFBDRO C[NH2+]C[C@@H]1CCCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593233853 398577514 /nfs/dbraw/zinc/57/75/14/398577514.db2.gz YCTYSFINNZGBPU-LBPRGKRZSA-N 1 0 300.362 2.579 20 5 DFBDRO CC[N@@H+]1CCN(c2c3ccccc3ncc2[N+](=O)[O-])C[C@@H]1C ZINC000589864895 398581223 /nfs/dbraw/zinc/58/12/23/398581223.db2.gz HVTFJUDQGDWMSI-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CCN1CC[NH+](C[C@H](C)CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000092612757 398587184 /nfs/dbraw/zinc/58/71/84/398587184.db2.gz ZMCHMBGZJNEXET-CQSZACIVSA-N 1 0 320.437 2.589 20 5 DFBDRO CN(C[C@@H]1CC[N@H+](C)C1)c1ccc([N+](=O)[O-])c2cccnc21 ZINC000092650311 398589335 /nfs/dbraw/zinc/58/93/35/398589335.db2.gz LNXOCOARFNVVMK-GFCCVEGCSA-N 1 0 300.362 2.531 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)CN(C)Cc1nnc(C)o1 ZINC000597200814 398589348 /nfs/dbraw/zinc/58/93/48/398589348.db2.gz ZIYBLPPRNQMARU-YRNVUSSQSA-N 1 0 302.334 2.822 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c(OC(F)F)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000092657438 398590971 /nfs/dbraw/zinc/59/09/71/398590971.db2.gz QWNADEZNYDDWCB-LLVKDONJSA-N 1 0 315.320 2.727 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593317254 398596710 /nfs/dbraw/zinc/59/67/10/398596710.db2.gz TYXRGVQGVSXBIZ-AWEZNQCLSA-N 1 0 313.357 2.730 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000597232768 398598954 /nfs/dbraw/zinc/59/89/54/398598954.db2.gz VWZKBGUOASCQEO-OPPWZJLSSA-N 1 0 302.374 2.966 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000597229919 398598975 /nfs/dbraw/zinc/59/89/75/398598975.db2.gz DNERBCMOJDPPTL-OAHLLOKOSA-N 1 0 319.405 2.640 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597232769 398599093 /nfs/dbraw/zinc/59/90/93/398599093.db2.gz VWZKBGUOASCQEO-VFGVELGVSA-N 1 0 302.374 2.966 20 5 DFBDRO CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000597242069 398603882 /nfs/dbraw/zinc/60/38/82/398603882.db2.gz UONQCTGTTQGHQC-FZMZJTMJSA-N 1 0 312.391 2.868 20 5 DFBDRO Cc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1[N+](=O)[O-] ZINC000071040329 398609328 /nfs/dbraw/zinc/60/93/28/398609328.db2.gz JTMVKCKBTMQRFG-UHFFFAOYSA-N 1 0 323.312 2.736 20 5 DFBDRO C[NH+](C)C1(CNC(=O)Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000072525034 398618936 /nfs/dbraw/zinc/61/89/36/398618936.db2.gz DOBXCROQFOBRKY-UHFFFAOYSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1sc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1[N+](=O)[O-] ZINC000590375836 398617812 /nfs/dbraw/zinc/61/78/12/398617812.db2.gz NHURWLKBDQOYSR-UHFFFAOYSA-N 1 0 323.418 2.523 20 5 DFBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(CO)CCSCC1 ZINC000459689365 299165870 /nfs/dbraw/zinc/16/58/70/299165870.db2.gz DJRWGTJUEHKAKG-UHFFFAOYSA-N 1 0 316.810 2.596 20 5 DFBDRO Cc1sc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000155696033 186103945 /nfs/dbraw/zinc/10/39/45/186103945.db2.gz ATHJJZFYGVTCNX-NSHDSACASA-N 1 0 311.407 2.602 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CC[C@H](C)[N@@H+]1C ZINC000590567477 398631609 /nfs/dbraw/zinc/63/16/09/398631609.db2.gz ILYXPMBCAMRKGK-RYUDHWBXSA-N 1 0 321.377 2.584 20 5 DFBDRO CC[C@@H](NC(=O)CCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000155802322 186114000 /nfs/dbraw/zinc/11/40/00/186114000.db2.gz PSOFMFYHTWFLHQ-MRXNPFEDSA-N 1 0 319.405 2.942 20 5 DFBDRO C[NH+](C)[C@@H](CNc1ccnc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000593461558 398635518 /nfs/dbraw/zinc/63/55/18/398635518.db2.gz RADYBVKFRRCEQX-INIZCTEOSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccnc3cc([N+](=O)[O-])ccc32)C1 ZINC000593466118 398637586 /nfs/dbraw/zinc/63/75/86/398637586.db2.gz VZQYDVQSKQLYQX-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)[C@H]1CN(c2ccnc3cc([N+](=O)[O-])ccc32)CC[N@@H+]1C ZINC000593470675 398639308 /nfs/dbraw/zinc/63/93/08/398639308.db2.gz CFOMXSDUIUDMBH-QGZVFWFLSA-N 1 0 314.389 2.919 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(/C(C)=C\c2ccc([N+](=O)[O-])cc2)n1 ZINC000414645685 295811274 /nfs/dbraw/zinc/81/12/74/295811274.db2.gz OEGRMQCVBOZNTE-IEHMKBBKSA-N 1 0 302.334 2.689 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000414656587 295812397 /nfs/dbraw/zinc/81/23/97/295812397.db2.gz IQLHPBPSNURMQT-CQSZACIVSA-N 1 0 320.393 2.803 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)C(=O)c2csc([N+](=O)[O-])c2)CC1 ZINC000044467117 398645444 /nfs/dbraw/zinc/64/54/44/398645444.db2.gz WNHNCYYKMDOCRB-UHFFFAOYSA-N 1 0 311.407 2.601 20 5 DFBDRO CC1(C)CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1 ZINC000181912516 186218706 /nfs/dbraw/zinc/21/87/06/186218706.db2.gz TXVOQTFCBUZSCK-AWEZNQCLSA-N 1 0 322.405 2.847 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C2)OCCO1 ZINC000183887239 186227664 /nfs/dbraw/zinc/22/76/64/186227664.db2.gz LAUXRMAMCNQYCD-OAHLLOKOSA-N 1 0 320.389 2.612 20 5 DFBDRO COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H](C)[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000072869685 398643885 /nfs/dbraw/zinc/64/38/85/398643885.db2.gz YEWMBXWKKSJQAK-TUAOUCFPSA-N 1 0 321.377 2.518 20 5 DFBDRO Cc1ccc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cc1[N+](=O)[O-] ZINC000093865877 398647670 /nfs/dbraw/zinc/64/76/70/398647670.db2.gz KJSWIQYVHBDIAR-MRXNPFEDSA-N 1 0 313.357 2.952 20 5 DFBDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000590657715 398646433 /nfs/dbraw/zinc/64/64/33/398646433.db2.gz OMYTUTCEJNXEFL-UMGRQFOVSA-N 1 0 304.346 2.539 20 5 DFBDRO Cc1cc(N2CCC([NH+]3CCCCC3)CC2)ncc1[N+](=O)[O-] ZINC000266834106 186353727 /nfs/dbraw/zinc/35/37/27/186353727.db2.gz IZHQQRHZNDPDBR-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cc1 ZINC000459730334 299174903 /nfs/dbraw/zinc/17/49/03/299174903.db2.gz SKYOQTYSNRCSCY-HOTGVXAUSA-N 1 0 302.374 2.638 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000292502545 186642857 /nfs/dbraw/zinc/64/28/57/186642857.db2.gz XLYQUMSGWFOAOU-LBPRGKRZSA-N 1 0 307.394 2.646 20 5 DFBDRO Cc1cc(Br)cc([N+](=O)[O-])c1OC[C@H]1CC[NH2+]C1 ZINC000094296484 398656816 /nfs/dbraw/zinc/65/68/16/398656816.db2.gz ZQOMIAKJFWNRLA-VIFPVBQESA-N 1 0 315.167 2.654 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC[C@@H]2CCC[NH2+]2)o1 ZINC000414854410 295826484 /nfs/dbraw/zinc/82/64/84/295826484.db2.gz ZJIAJVUFUCGQNS-LBPRGKRZSA-N 1 0 301.346 2.696 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2ccc(CN[C@@H]3CC[NH2+]C3)o2)c(Cl)c1 ZINC000414864139 295827812 /nfs/dbraw/zinc/82/78/12/295827812.db2.gz BIWIOTGHWMWBRK-SNVBAGLBSA-N 1 0 321.764 2.960 20 5 DFBDRO [NH3+][C@@H](CNCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414889191 295830799 /nfs/dbraw/zinc/83/07/99/295830799.db2.gz GAIGGDQRFVFXJE-HNNXBMFYSA-N 1 0 301.346 2.682 20 5 DFBDRO O=[N+]([O-])c1cnc(NC2CC[NH+](CC3CC3)CC2)c(Cl)c1 ZINC000172408887 198093437 /nfs/dbraw/zinc/09/34/37/198093437.db2.gz JAKOBFCOCQDLKP-UHFFFAOYSA-N 1 0 310.785 2.930 20 5 DFBDRO CC1(C)[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]2CCO[C@@H]21 ZINC000590756126 398666853 /nfs/dbraw/zinc/66/68/53/398666853.db2.gz JAGQKMWOAUSGLR-KMUNFCNLSA-N 1 0 317.345 2.639 20 5 DFBDRO C[C@H](CO)C1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000593677242 398669667 /nfs/dbraw/zinc/66/96/67/398669667.db2.gz VQDVPFDFRXQXQB-YVARQFDVSA-N 1 0 304.390 2.948 20 5 DFBDRO CCN1C[C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1=O ZINC000593687302 398670368 /nfs/dbraw/zinc/67/03/68/398670368.db2.gz LMPLFENRSLHOLX-CQSZACIVSA-N 1 0 319.405 2.676 20 5 DFBDRO CCC(C)(C)OCC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000590781528 398672773 /nfs/dbraw/zinc/67/27/73/398672773.db2.gz CPLNXFOVKJLEFY-UHFFFAOYSA-N 1 0 324.377 2.661 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 ZINC000459771318 299188251 /nfs/dbraw/zinc/18/82/51/299188251.db2.gz TUFGYTCXQNZXOX-DLBZAZTESA-N 1 0 304.390 2.968 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000459777633 299189656 /nfs/dbraw/zinc/18/96/56/299189656.db2.gz LEKYHXSKPBVRSY-FVCCEPFGSA-N 1 0 303.362 2.700 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000172832728 198155575 /nfs/dbraw/zinc/15/55/75/198155575.db2.gz BGBWNDCIKYAGOL-CQSZACIVSA-N 1 0 319.405 2.850 20 5 DFBDRO Cc1c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172958747 198170528 /nfs/dbraw/zinc/17/05/28/198170528.db2.gz VCQGQNBIAGCVHT-RWMBFGLXSA-N 1 0 317.389 2.818 20 5 DFBDRO Cc1c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cccc1[N+](=O)[O-] ZINC000172958741 198170609 /nfs/dbraw/zinc/17/06/09/198170609.db2.gz VCQGQNBIAGCVHT-UPJWGTAASA-N 1 0 317.389 2.818 20 5 DFBDRO CC1(C)[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000172973480 198172251 /nfs/dbraw/zinc/17/22/51/198172251.db2.gz SKGOCXPUNQXPRY-TXEJJXNPSA-N 1 0 303.362 2.511 20 5 DFBDRO CC[C@@]1(C)CCC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000072802706 191229534 /nfs/dbraw/zinc/22/95/34/191229534.db2.gz BUNPPEWMJXJICE-INIZCTEOSA-N 1 0 305.378 2.706 20 5 DFBDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000173188689 198193236 /nfs/dbraw/zinc/19/32/36/198193236.db2.gz OPNKDVFOFNHWCW-RISCZKNCSA-N 1 0 306.366 2.541 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593762298 398682882 /nfs/dbraw/zinc/68/28/82/398682882.db2.gz CITRYOCUPLUQTK-UHFFFAOYSA-N 1 0 320.393 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCCC1CC[NH2+]CC1 ZINC000593760470 398683095 /nfs/dbraw/zinc/68/30/95/398683095.db2.gz RCGRDAQUAABVNQ-UHFFFAOYSA-N 1 0 320.393 2.723 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459795948 299195739 /nfs/dbraw/zinc/19/57/39/299195739.db2.gz YJIIJYXSPQXDFM-JLUCKKNBSA-N 1 0 303.362 2.700 20 5 DFBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000459795946 299195742 /nfs/dbraw/zinc/19/57/42/299195742.db2.gz YJIIJYXSPQXDFM-HKCMKHECSA-N 1 0 303.362 2.700 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[NH+](C2CC2)CC1 ZINC000104678938 398688968 /nfs/dbraw/zinc/68/89/68/398688968.db2.gz QEWXYZWLUVQACL-UHFFFAOYSA-N 1 0 319.405 2.662 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CCSC1 ZINC000280159881 215419321 /nfs/dbraw/zinc/41/93/21/215419321.db2.gz SFWSOMSRFUKXJN-VXGBXAGGSA-N 1 0 323.418 2.655 20 5 DFBDRO CCc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC000174035881 198283997 /nfs/dbraw/zinc/28/39/97/198283997.db2.gz IUXPEXJYUMEURT-UHFFFAOYSA-N 1 0 317.389 2.514 20 5 DFBDRO CC[NH+]1CCC(CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000174100400 198291240 /nfs/dbraw/zinc/29/12/40/198291240.db2.gz QTGWLHXFKGJFHV-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000174180037 198302915 /nfs/dbraw/zinc/30/29/15/198302915.db2.gz NGUKUFCVMAHDCP-AWEZNQCLSA-N 1 0 306.366 2.543 20 5 DFBDRO C[C@H](C1CC1)[N@H+](C)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000073800210 398702068 /nfs/dbraw/zinc/70/20/68/398702068.db2.gz KDQQUCYXMXCESA-SNVBAGLBSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000597854647 398704631 /nfs/dbraw/zinc/70/46/31/398704631.db2.gz KNUGDUSDDGSKJC-ZDUSSCGKSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000597854411 398704705 /nfs/dbraw/zinc/70/47/05/398704705.db2.gz HFYORIQEETWLAA-CYBMUJFWSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@H]1CCCN(C(=O)CCc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593914178 398703121 /nfs/dbraw/zinc/70/31/21/398703121.db2.gz AHVLWMWSFPZFDT-XJKSGUPXSA-N 1 0 319.405 2.503 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000597859773 398705748 /nfs/dbraw/zinc/70/57/48/398705748.db2.gz XMXSCTRUTIXUPB-AWEZNQCLSA-N 1 0 319.405 2.760 20 5 DFBDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCn2cc([N+](=O)[O-])cn2)s1 ZINC000174873260 198395739 /nfs/dbraw/zinc/39/57/39/198395739.db2.gz GXHCEIKBJGCQMB-LLVKDONJSA-N 1 0 323.422 2.812 20 5 DFBDRO CCCNC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000593967419 398709483 /nfs/dbraw/zinc/70/94/83/398709483.db2.gz RQAIKJOIYOVESE-UHFFFAOYSA-N 1 0 319.405 2.866 20 5 DFBDRO Cc1c(C[N@@H+]2CC3(CCC3)[C@H]3COC[C@@H]32)cccc1[N+](=O)[O-] ZINC000590970362 398710675 /nfs/dbraw/zinc/71/06/75/398710675.db2.gz ZYYABWORPFFWCP-HOCLYGCPSA-N 1 0 302.374 2.904 20 5 DFBDRO C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CC(C)(C)C1 ZINC000590971387 398711144 /nfs/dbraw/zinc/71/11/44/398711144.db2.gz XXHBBFUXPQXGAS-UHFFFAOYSA-N 1 0 306.362 2.986 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415252038 295872529 /nfs/dbraw/zinc/87/25/29/295872529.db2.gz AQJZEVXYMVBRTE-NWDGAFQWSA-N 1 0 306.366 2.603 20 5 DFBDRO C[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)[NH+]1CCCCCC1 ZINC000074042842 398719291 /nfs/dbraw/zinc/71/92/91/398719291.db2.gz RDOMPSLCDHWNSY-CYBMUJFWSA-N 1 0 317.389 2.748 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415303007 295876131 /nfs/dbraw/zinc/87/61/31/295876131.db2.gz UMDKIEBQAFSPDI-MRXNPFEDSA-N 1 0 320.393 2.723 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000176486668 198592495 /nfs/dbraw/zinc/59/24/95/198592495.db2.gz ROOOKNSMWLHSGM-JTQLQIEISA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc([N+](=O)[O-])c1 ZINC000597921837 398721268 /nfs/dbraw/zinc/72/12/68/398721268.db2.gz CLAICMVIXLWZEF-ZDUSSCGKSA-N 1 0 305.378 2.506 20 5 DFBDRO CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccc([N+](=O)[O-])o2)cc1 ZINC000236777159 202004676 /nfs/dbraw/zinc/00/46/76/202004676.db2.gz HZJQDCQLYDEYER-CYBMUJFWSA-N 1 0 317.345 2.741 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111294328 398726135 /nfs/dbraw/zinc/72/61/35/398726135.db2.gz SXCWVQWFCWBMJD-CJNGLKHVSA-N 1 0 317.389 2.743 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415487201 295887131 /nfs/dbraw/zinc/88/71/31/295887131.db2.gz SUHCQRVPSROKCQ-OLZOCXBDSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415491394 295887369 /nfs/dbraw/zinc/88/73/69/295887369.db2.gz ZOBNNZXVOUBJSY-CHWSQXEVSA-N 1 0 320.393 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000130518088 283051541 /nfs/dbraw/zinc/05/15/41/283051541.db2.gz FJJDWGUQEJQBPQ-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO CCC(CC)(C[NH3+])NC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C ZINC000415579982 295891928 /nfs/dbraw/zinc/89/19/28/295891928.db2.gz KXYHWOXONNJTBU-UHFFFAOYSA-N 1 0 308.382 2.851 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415579829 295892030 /nfs/dbraw/zinc/89/20/30/295892030.db2.gz KRGHWKNBFUEUSJ-CQSZACIVSA-N 1 0 320.393 2.851 20 5 DFBDRO O=[N+]([O-])c1ccc2ccnc(N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000591138776 398730836 /nfs/dbraw/zinc/73/08/36/398730836.db2.gz PLFNUFPUDDMFKE-HNNXBMFYSA-N 1 0 312.373 2.818 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2CCO)ccc1[N+](=O)[O-] ZINC000276982697 213217794 /nfs/dbraw/zinc/21/77/94/213217794.db2.gz YMPMIERUDJRNLU-CQSZACIVSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)ccc1[N+](=O)[O-] ZINC000276977814 213214401 /nfs/dbraw/zinc/21/44/01/213214401.db2.gz XVNDCNUBAHWHNL-UKRRQHHQSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOc1cc(CN2C[C@H]3CCC[N@@H+]3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000276977808 213214418 /nfs/dbraw/zinc/21/44/18/213214418.db2.gz XVNDCNUBAHWHNL-DZGCQCFKSA-N 1 0 319.405 2.662 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2CCO)ccc1[N+](=O)[O-] ZINC000276982695 213218695 /nfs/dbraw/zinc/21/86/95/213218695.db2.gz YMPMIERUDJRNLU-AWEZNQCLSA-N 1 0 308.378 2.730 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000074313771 398739027 /nfs/dbraw/zinc/73/90/27/398739027.db2.gz NSJNLRDBUAWRGX-UHFFFAOYSA-N 1 0 323.356 2.524 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594094190 398742153 /nfs/dbraw/zinc/74/21/53/398742153.db2.gz IGFUXJKYNJUGIK-GJZGRUSLSA-N 1 0 318.377 2.733 20 5 DFBDRO CCN(C(=O)c1cc([N+](=O)[O-])c(C)s1)[C@H]1CC[N@H+](CC)C1 ZINC000598039862 398741960 /nfs/dbraw/zinc/74/19/60/398741960.db2.gz AVDMLQCFPBXFFK-NSHDSACASA-N 1 0 311.407 2.521 20 5 DFBDRO CC(C)c1ccc(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000594103264 398743506 /nfs/dbraw/zinc/74/35/06/398743506.db2.gz XJZRYQCMCHFWHP-XBXGTLAGSA-N 1 0 319.405 2.788 20 5 DFBDRO Cc1c(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-] ZINC000591272265 398744921 /nfs/dbraw/zinc/74/49/21/398744921.db2.gz SJCKYTUCUWIPNP-MRXNPFEDSA-N 1 0 318.377 2.511 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000591307953 398746931 /nfs/dbraw/zinc/74/69/31/398746931.db2.gz KHYFCKTXPVUXPY-GXTWGEPZSA-N 1 0 320.393 2.748 20 5 DFBDRO CC[C@H]1CN(C(=O)Nc2cc([N+](=O)[O-])c(C)cc2C)CC[C@H]1[NH3+] ZINC000591298633 398746279 /nfs/dbraw/zinc/74/62/79/398746279.db2.gz GEGWCTMKUXBJHP-QWHCGFSZSA-N 1 0 320.393 2.803 20 5 DFBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000591357452 398752022 /nfs/dbraw/zinc/75/20/22/398752022.db2.gz QYISHWLYVYEGGN-QJPTWQEYSA-N 1 0 306.362 2.858 20 5 DFBDRO CC(C)[C@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[NH2+]1 ZINC000591435787 398760081 /nfs/dbraw/zinc/76/00/81/398760081.db2.gz WOMSDMCESRMIBW-CQSZACIVSA-N 1 0 300.362 2.577 20 5 DFBDRO CC(C)[C@H]1CN(c2ccc([N+](=O)[O-])c3cnccc32)CC[NH2+]1 ZINC000591435378 398760234 /nfs/dbraw/zinc/76/02/34/398760234.db2.gz PWSTUJXAVAPOBA-CQSZACIVSA-N 1 0 300.362 2.577 20 5 DFBDRO [NH3+]C[C@@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1c1ccccc1 ZINC000591436358 398760432 /nfs/dbraw/zinc/76/04/32/398760432.db2.gz BNMCDYIDRCDHIC-OLZOCXBDSA-N 1 0 303.387 2.835 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591438672 398760913 /nfs/dbraw/zinc/76/09/13/398760913.db2.gz PHYDXQRTDWEXAZ-MWLCHTKSSA-N 1 0 315.295 2.802 20 5 DFBDRO CC[C@@H]1CN(c2nc3ccccc3cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000591437829 398761039 /nfs/dbraw/zinc/76/10/39/398761039.db2.gz OVXTZNXPFXTHGN-DGCLKSJQSA-N 1 0 300.362 2.707 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(Cl)c1 ZINC000591442236 398761727 /nfs/dbraw/zinc/76/17/27/398761727.db2.gz LJHJQGGXSXVHEL-NEPJUHHUSA-N 1 0 324.812 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc2nc(N3CCC[C@]4(CC[NH2+]C4)C3)ccc2c1 ZINC000591440878 398761738 /nfs/dbraw/zinc/76/17/38/398761738.db2.gz WCEWIAIJEMITIT-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO COc1cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)ccc1[N+](=O)[O-] ZINC000591443330 398762401 /nfs/dbraw/zinc/76/24/01/398762401.db2.gz ZPOSKDWVYNZMKI-UONOGXRCSA-N 1 0 319.405 2.819 20 5 DFBDRO Cc1cc(N2CCC([NH2+]C3CCCC3)CC2)ncc1[N+](=O)[O-] ZINC000074750479 398764092 /nfs/dbraw/zinc/76/40/92/398764092.db2.gz KHAIVLCRDJTAMY-UHFFFAOYSA-N 1 0 304.394 2.799 20 5 DFBDRO CC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000047966195 398765766 /nfs/dbraw/zinc/76/57/66/398765766.db2.gz DEDUZJHOZOFGAB-OAHLLOKOSA-N 1 0 308.378 2.599 20 5 DFBDRO Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000591651814 398778549 /nfs/dbraw/zinc/77/85/49/398778549.db2.gz WZESQGVKJBNQGS-ZDUSSCGKSA-N 1 0 317.389 2.507 20 5 DFBDRO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000598260311 398779661 /nfs/dbraw/zinc/77/96/61/398779661.db2.gz AILCBIIURQSPOM-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO COC(=O)C1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000237122706 202158598 /nfs/dbraw/zinc/15/85/98/202158598.db2.gz KJRAFBLFZHYWOS-DCBWTQNWSA-N 1 0 306.362 2.977 20 5 DFBDRO CCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)C1 ZINC000598342731 398796481 /nfs/dbraw/zinc/79/64/81/398796481.db2.gz LVEUQCJEAJLDFK-GFCCVEGCSA-N 1 0 323.418 2.531 20 5 DFBDRO CCOC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000276828446 213119298 /nfs/dbraw/zinc/11/92/98/213119298.db2.gz ARGGHLVQXGLZSX-AWEZNQCLSA-N 1 0 308.378 2.852 20 5 DFBDRO CCc1ccc(C(=O)N(CC)[C@@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000594442294 398803200 /nfs/dbraw/zinc/80/32/00/398803200.db2.gz NYUPNZSVTCXQLZ-OAHLLOKOSA-N 1 0 319.405 2.761 20 5 DFBDRO CC[C@H](NC(=O)C[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000594445758 398804899 /nfs/dbraw/zinc/80/48/99/398804899.db2.gz LLRFRXYJVXZBSD-DOMZBBRYSA-N 1 0 305.378 2.552 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000075609109 398812591 /nfs/dbraw/zinc/81/25/91/398812591.db2.gz DHBACOQYYJFXIC-SNVBAGLBSA-N 1 0 313.785 2.708 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-] ZINC000594519627 398815596 /nfs/dbraw/zinc/81/55/96/398815596.db2.gz RWRVDWHAFSXFTA-GFCCVEGCSA-N 1 0 308.378 2.971 20 5 DFBDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000050995336 398815699 /nfs/dbraw/zinc/81/56/99/398815699.db2.gz RVPHJFLOAGVTGS-OAHLLOKOSA-N 1 0 319.405 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c(F)c1 ZINC000594522066 398815923 /nfs/dbraw/zinc/81/59/23/398815923.db2.gz XRWDPKJAGCHXBR-HOTGVXAUSA-N 1 0 307.369 2.840 20 5 DFBDRO COc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1[N+](=O)[O-] ZINC000594522486 398816309 /nfs/dbraw/zinc/81/63/09/398816309.db2.gz YQLIJVUAHVAAKT-HUUCEWRRSA-N 1 0 319.405 2.710 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCn2ccnc2)C2CC2)cc1 ZINC000179650171 199070472 /nfs/dbraw/zinc/07/04/72/199070472.db2.gz IIPKLZMPQLZCTL-UHFFFAOYSA-N 1 0 300.362 2.846 20 5 DFBDRO CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1C ZINC000598464978 398817175 /nfs/dbraw/zinc/81/71/75/398817175.db2.gz AHZDFWSJLIAYPT-UHFFFAOYSA-N 1 0 307.394 2.753 20 5 DFBDRO COC(=O)c1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000594608701 398831104 /nfs/dbraw/zinc/83/11/04/398831104.db2.gz ZAYSJNCAHAPEQX-UHFFFAOYSA-N 1 0 318.329 2.615 20 5 DFBDRO C[N@H+](Cc1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCCCC1 ZINC000594639802 398835428 /nfs/dbraw/zinc/83/54/28/398835428.db2.gz CQEBUMWUVMFTSR-UHFFFAOYSA-N 1 0 315.377 2.940 20 5 DFBDRO Cc1ccnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1[N+](=O)[O-] ZINC000594693069 398843146 /nfs/dbraw/zinc/84/31/46/398843146.db2.gz KCOUGYKFHILDMX-CQSZACIVSA-N 1 0 304.394 2.514 20 5 DFBDRO C[C@@]1(O)CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000180190597 199128594 /nfs/dbraw/zinc/12/85/94/199128594.db2.gz VILWYQNIFOMVNW-MRXNPFEDSA-N 1 0 302.330 2.812 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000594693810 398844171 /nfs/dbraw/zinc/84/41/71/398844171.db2.gz VLYGEUPZGBULRZ-GFCCVEGCSA-N 1 0 324.812 2.859 20 5 DFBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000594698452 398844595 /nfs/dbraw/zinc/84/45/95/398844595.db2.gz ITZHICUGBLTCPF-OAHLLOKOSA-N 1 0 314.341 2.629 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC3(C2)CCOCC3)cc1 ZINC000076177516 398845832 /nfs/dbraw/zinc/84/58/32/398845832.db2.gz FSJCBKKSVUZCKA-UHFFFAOYSA-N 1 0 320.389 2.866 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000598647135 398846965 /nfs/dbraw/zinc/84/69/65/398846965.db2.gz BWWXKTTXJCMLQE-ZFWWWQNUSA-N 1 0 322.405 2.832 20 5 DFBDRO O=[N+]([O-])c1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000594738068 398852352 /nfs/dbraw/zinc/85/23/52/398852352.db2.gz FCLPMHFWSZLTLM-QZTJIDSGSA-N 1 0 311.385 2.830 20 5 DFBDRO CCOC(=O)c1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000467780196 299274610 /nfs/dbraw/zinc/27/46/10/299274610.db2.gz MHDVFXWTTBBTLM-AAEUAGOBSA-N 1 0 321.377 2.666 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000180435309 199158444 /nfs/dbraw/zinc/15/84/44/199158444.db2.gz WPMDHSMLZIBWMQ-CHWSQXEVSA-N 1 0 305.378 2.504 20 5 DFBDRO O=C(CC[NH+]1CC(CC2CC2)C1)Nc1ccccc1[N+](=O)[O-] ZINC000598705734 398859049 /nfs/dbraw/zinc/85/90/49/398859049.db2.gz MWPRXKYXWHJAAL-UHFFFAOYSA-N 1 0 303.362 2.655 20 5 DFBDRO Cc1cc(NC(=O)CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)no1 ZINC000180401016 199154914 /nfs/dbraw/zinc/15/49/14/199154914.db2.gz HFQMSMDRXDGPPV-LLVKDONJSA-N 1 0 318.333 2.571 20 5 DFBDRO O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000076693966 398866001 /nfs/dbraw/zinc/86/60/01/398866001.db2.gz KGMVTALKZLYPJU-LBPRGKRZSA-N 1 0 323.780 2.559 20 5 DFBDRO CCCOc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)c(C)c1 ZINC000594930114 398874136 /nfs/dbraw/zinc/87/41/36/398874136.db2.gz BSINVQHSTQNOIB-UHFFFAOYSA-N 1 0 318.377 2.678 20 5 DFBDRO CC(C)[N@H+](CCNc1nc2sccn2c1[N+](=O)[O-])C1CC1 ZINC000076924733 398875658 /nfs/dbraw/zinc/87/56/58/398875658.db2.gz CZDYVNDZFYRVKI-UHFFFAOYSA-N 1 0 309.395 2.589 20 5 DFBDRO C[C@@]1(C[NH2+]Cc2cc3c(cc2[N+](=O)[O-])OCCO3)CC1(F)F ZINC000594988124 398887190 /nfs/dbraw/zinc/88/71/90/398887190.db2.gz ZFDMHJWEDPJDBS-ZDUSSCGKSA-N 1 0 314.288 2.501 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C/C=C\CO)o2)c([N+](=O)[O-])c1 ZINC000594975881 398885456 /nfs/dbraw/zinc/88/54/56/398885456.db2.gz WHVOKROSACJSCW-IHWYPQMZSA-N 1 0 318.329 2.502 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](CO)CC1CC1 ZINC000594983129 398886533 /nfs/dbraw/zinc/88/65/33/398886533.db2.gz LBHWDYPKRQLEBP-ROCHPLJESA-N 1 0 304.390 2.996 20 5 DFBDRO COc1cc(C[NH2+]C[C@@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OC ZINC000594997229 398888428 /nfs/dbraw/zinc/88/84/28/398888428.db2.gz ZLAUDCYQISDBES-LBPRGKRZSA-N 1 0 324.377 2.517 20 5 DFBDRO COc1cc(C[NH2+]C[C@H]2CCOC2(C)C)c([N+](=O)[O-])cc1OC ZINC000594997228 398888565 /nfs/dbraw/zinc/88/85/65/398888565.db2.gz ZLAUDCYQISDBES-GFCCVEGCSA-N 1 0 324.377 2.517 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)NCCC[N@H+](C)C(C)C ZINC000595004433 398889261 /nfs/dbraw/zinc/88/92/61/398889261.db2.gz RLIDLCHVZVZVHE-ZDUSSCGKSA-N 1 0 309.410 2.984 20 5 DFBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCNC(=O)C(C)(C)C ZINC000468637505 299280809 /nfs/dbraw/zinc/28/08/09/299280809.db2.gz JARUVUQBJHIQSI-RAXLEYEMSA-N 1 0 319.405 2.750 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000595013635 398892015 /nfs/dbraw/zinc/89/20/15/398892015.db2.gz QMZRULQYIIZFBU-VBNZEHGJSA-N 1 0 319.405 2.881 20 5 DFBDRO COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000595014309 398891822 /nfs/dbraw/zinc/89/18/22/398891822.db2.gz NVIBAMWELFQQEW-OAHLLOKOSA-N 1 0 308.378 2.516 20 5 DFBDRO [NH3+]C1(CNC(=O)Nc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000598917016 398892936 /nfs/dbraw/zinc/89/29/36/398892936.db2.gz OANORGWKNVEKJV-UHFFFAOYSA-N 1 0 310.329 2.517 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915195 398892968 /nfs/dbraw/zinc/89/29/68/398892968.db2.gz JYIXUWAUWPMZSF-VIFPVBQESA-N 1 0 314.773 2.743 20 5 DFBDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598915503 398892974 /nfs/dbraw/zinc/89/29/74/398892974.db2.gz NGMQGIFAUDMKET-BDAKNGLRSA-N 1 0 312.757 2.592 20 5 DFBDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000598914147 398893001 /nfs/dbraw/zinc/89/30/01/398893001.db2.gz ZZNXJRDGOCMTTG-ZYHUDNBSSA-N 1 0 312.757 2.640 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](C)C1 ZINC000595015977 398892492 /nfs/dbraw/zinc/89/24/92/398892492.db2.gz FRXKYJPOWWSUBW-OLZOCXBDSA-N 1 0 307.394 2.596 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(CCO)CCC1 ZINC000595022322 398893559 /nfs/dbraw/zinc/89/35/59/398893559.db2.gz LFFFEHSNRNQVND-GFCCVEGCSA-N 1 0 308.378 2.807 20 5 DFBDRO CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595019508 398893358 /nfs/dbraw/zinc/89/33/58/398893358.db2.gz XCYPVBULHVBBQV-STQMWFEESA-N 1 0 307.394 2.738 20 5 DFBDRO COC[C@@H](CC1CCOCC1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000595029855 398895296 /nfs/dbraw/zinc/89/52/96/398895296.db2.gz ZPPRFSSFJDXHRV-MRXNPFEDSA-N 1 0 322.405 2.559 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000595037793 398895981 /nfs/dbraw/zinc/89/59/81/398895981.db2.gz ILYHXMUTNPOTCF-NHYWBVRUSA-N 1 0 308.378 2.805 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOCC(F)F ZINC000595043445 398897383 /nfs/dbraw/zinc/89/73/83/398897383.db2.gz YIILFJXBMQZMRK-VIFPVBQESA-N 1 0 304.293 2.536 20 5 DFBDRO COc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000598961772 398897572 /nfs/dbraw/zinc/89/75/72/398897572.db2.gz BJWSRYAVGHKBEH-CYBMUJFWSA-N 1 0 307.394 2.566 20 5 DFBDRO C[C@@H]1C[NH+](C(C)(C)CNc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000054449456 398899531 /nfs/dbraw/zinc/89/95/31/398899531.db2.gz LWGWSJCWGRPLOI-CHWSQXEVSA-N 1 0 307.394 2.895 20 5 DFBDRO CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000595065869 398901338 /nfs/dbraw/zinc/90/13/38/398901338.db2.gz WFOLLBNOVBRMSV-JWZBEHFJSA-N 1 0 322.405 2.812 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000186794628 200012193 /nfs/dbraw/zinc/01/21/93/200012193.db2.gz XOJJHWFEBRQBOT-UXIGCNINSA-N 1 0 308.378 2.948 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000595068349 398902021 /nfs/dbraw/zinc/90/20/21/398902021.db2.gz KWOBLUPXEMXMTO-ZWNOBZJWSA-N 1 0 300.305 2.978 20 5 DFBDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1ccoc1 ZINC000595076367 398902461 /nfs/dbraw/zinc/90/24/61/398902461.db2.gz FWEFAIPFEJTOJK-GFCCVEGCSA-N 1 0 317.345 2.737 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000595099148 398905380 /nfs/dbraw/zinc/90/53/80/398905380.db2.gz DZKMGBATYBTGBQ-DYVFJYSZSA-N 1 0 322.405 2.813 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)CC1([NH+](C)C)CCC1 ZINC000186925534 200032190 /nfs/dbraw/zinc/03/21/90/200032190.db2.gz JTUMDAVQILLXAZ-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000595099237 398905504 /nfs/dbraw/zinc/90/55/04/398905504.db2.gz GARDWDTXDGNTPB-DYVFJYSZSA-N 1 0 322.405 2.813 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)C1CC1 ZINC000595090966 398903754 /nfs/dbraw/zinc/90/37/54/398903754.db2.gz QCXUBZIEVIHJJS-USXIJHARSA-N 1 0 316.401 2.809 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H](CO)CC1CC1)C1CC1 ZINC000595090795 398903760 /nfs/dbraw/zinc/90/37/60/398903760.db2.gz RBXQBODBTOPWDT-YOEHRIQHSA-N 1 0 318.417 2.914 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCC(O)CC1 ZINC000595090465 398903881 /nfs/dbraw/zinc/90/38/81/398903881.db2.gz CQZYTGJEVQAAFP-DCBWTQNWSA-N 1 0 308.378 2.805 20 5 DFBDRO O=[N+]([O-])c1cc2c(cc1C[NH2+]C[C@@H]1CC[C@@H]3C[C@@H]3C1)OCCO2 ZINC000598987644 398903953 /nfs/dbraw/zinc/90/39/53/398903953.db2.gz KUXMYPYVDQIVTM-UPJWGTAASA-N 1 0 318.373 2.892 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CC(CO)C1 ZINC000595102471 398906196 /nfs/dbraw/zinc/90/61/96/398906196.db2.gz INHBCMIXCZFJET-FQSHHYAASA-N 1 0 304.390 2.667 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1[N+](=O)[O-] ZINC000598999964 398906466 /nfs/dbraw/zinc/90/64/66/398906466.db2.gz PJTPGYGZHXIWGC-HNNXBMFYSA-N 1 0 319.405 2.710 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599007633 398906902 /nfs/dbraw/zinc/90/69/02/398906902.db2.gz RPKSIONJOQAPTD-BBRMVZONSA-N 1 0 306.362 2.651 20 5 DFBDRO C[NH+]1CCC(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599043179 398912139 /nfs/dbraw/zinc/91/21/39/398912139.db2.gz VXAVNNNENIXMSC-UHFFFAOYSA-N 1 0 300.362 2.897 20 5 DFBDRO O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000595254469 398913599 /nfs/dbraw/zinc/91/35/99/398913599.db2.gz XBZBUDUGXFMDKT-MRXNPFEDSA-N 1 0 323.352 2.719 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000187677016 200143427 /nfs/dbraw/zinc/14/34/27/200143427.db2.gz YAEBVGDJKPULEA-ONERCXAPSA-N 1 0 308.378 2.804 20 5 DFBDRO C[C@H](O)C[C@@H]1CCCN1c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599057060 398914501 /nfs/dbraw/zinc/91/45/01/398914501.db2.gz CDYIHQJMGVWNSS-AAEUAGOBSA-N 1 0 301.346 2.883 20 5 DFBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1nc2sccn2c1[N+](=O)[O-] ZINC000054981081 398914938 /nfs/dbraw/zinc/91/49/38/398914938.db2.gz FNFVTYGJMRWMFD-WDEREUQCSA-N 1 0 323.422 2.836 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)C2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000237552373 202280463 /nfs/dbraw/zinc/28/04/63/202280463.db2.gz XHYHQOSVVWRKQB-LBPRGKRZSA-N 1 0 305.378 2.742 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188079654 200190566 /nfs/dbraw/zinc/19/05/66/200190566.db2.gz BNTWLWOQLFRKTG-HOCLYGCPSA-N 1 0 318.398 2.864 20 5 DFBDRO CCC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000599066556 398916523 /nfs/dbraw/zinc/91/65/23/398916523.db2.gz SYGILNVHPFSGHD-JYJNAYRXSA-N 1 0 308.378 2.566 20 5 DFBDRO O=[N+]([O-])c1cc(F)ccc1CN1CC[NH+](C2CCCC2)CC1 ZINC000595289424 398916634 /nfs/dbraw/zinc/91/66/34/398916634.db2.gz DYJCHAIVQSPOIL-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000599077887 398918037 /nfs/dbraw/zinc/91/80/37/398918037.db2.gz AFONRZUDMCFZPF-CYBMUJFWSA-N 1 0 319.405 2.894 20 5 DFBDRO CCOC(=O)CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595297906 398918945 /nfs/dbraw/zinc/91/89/45/398918945.db2.gz KMJJTXXEYOHMHD-UHFFFAOYSA-N 1 0 324.352 2.899 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)cc1[N+](=O)[O-] ZINC000599092449 398920216 /nfs/dbraw/zinc/92/02/16/398920216.db2.gz HOYBAOAHNLRILT-IUODEOHRSA-N 1 0 317.389 2.707 20 5 DFBDRO CN(CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)CC(F)F ZINC000599095482 398920984 /nfs/dbraw/zinc/92/09/84/398920984.db2.gz WJHIECTXPKQTTG-AWEZNQCLSA-N 1 0 313.348 2.759 20 5 DFBDRO COc1ccccc1[C@@H]1CC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595329354 398922995 /nfs/dbraw/zinc/92/29/95/398922995.db2.gz QZYWHMVMATYMCN-GFCCVEGCSA-N 1 0 317.345 2.889 20 5 DFBDRO Cc1noc(C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1[N+](=O)[O-] ZINC000595327665 398922598 /nfs/dbraw/zinc/92/25/98/398922598.db2.gz QFDBKRRYQMWUBY-CQSZACIVSA-N 1 0 301.346 2.956 20 5 DFBDRO [NH3+]C1(CNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)CCCCC1 ZINC000237835856 202365439 /nfs/dbraw/zinc/36/54/39/202365439.db2.gz NRRWKOIJQDGSBB-UHFFFAOYSA-N 1 0 311.769 2.640 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000188802580 200304798 /nfs/dbraw/zinc/30/47/98/200304798.db2.gz JOMXQQKFCSBHHZ-CYBMUJFWSA-N 1 0 322.409 2.639 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595381076 398929900 /nfs/dbraw/zinc/92/99/00/398929900.db2.gz ITUPSLHMGZAIDX-CABCVRRESA-N 1 0 307.369 2.793 20 5 DFBDRO COc1ccc(C[NH+]2CCC([C@@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000189227195 200366385 /nfs/dbraw/zinc/36/63/85/200366385.db2.gz BLCOKGYJABCRLT-INIZCTEOSA-N 1 0 320.389 2.994 20 5 DFBDRO COc1ccc(C[NH+]2CCC([C@H]3CCCO3)CC2)cc1[N+](=O)[O-] ZINC000189227219 200366677 /nfs/dbraw/zinc/36/66/77/200366677.db2.gz BLCOKGYJABCRLT-MRXNPFEDSA-N 1 0 320.389 2.994 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599165738 398932426 /nfs/dbraw/zinc/93/24/26/398932426.db2.gz RTJRODDFPXMUNT-ZDUSSCGKSA-N 1 0 307.398 2.548 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C(F)(F)F)CCCC2 ZINC000417344499 296012240 /nfs/dbraw/zinc/01/22/40/296012240.db2.gz SFFHTZXIQBKLTR-STQMWFEESA-N 1 0 318.295 2.875 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](CO)C1CC1)CCCC2 ZINC000417351373 296012734 /nfs/dbraw/zinc/01/27/34/296012734.db2.gz RPLLMZOSPGBWQN-YOEHRIQHSA-N 1 0 304.390 2.970 20 5 DFBDRO Cn1cc(CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cn1 ZINC000153255624 398935198 /nfs/dbraw/zinc/93/51/98/398935198.db2.gz WAPRCUBMDCDFIN-UHFFFAOYSA-N 1 0 314.389 2.926 20 5 DFBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1ccccc1[N+](=O)[O-] ZINC000595423175 398935250 /nfs/dbraw/zinc/93/52/50/398935250.db2.gz MJJGZLPYODIRQL-MYZSUADSSA-N 1 0 317.389 2.693 20 5 DFBDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000417363281 296013794 /nfs/dbraw/zinc/01/37/94/296013794.db2.gz ATQCCXGSPOAUQR-OCCSQVGLSA-N 1 0 313.348 2.975 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(CC(F)F)C2)cccc1[N+](=O)[O-] ZINC000417362639 296013885 /nfs/dbraw/zinc/01/38/85/296013885.db2.gz AIIWBUQHCDAGQC-RYUDHWBXSA-N 1 0 313.348 2.893 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1CC12CC2 ZINC000417367139 296014088 /nfs/dbraw/zinc/01/40/88/296014088.db2.gz POZFHYYXEYIOOE-NWDGAFQWSA-N 1 0 303.362 2.702 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC12CC2 ZINC000417367141 296014094 /nfs/dbraw/zinc/01/40/94/296014094.db2.gz POZFHYYXEYIOOE-RYUDHWBXSA-N 1 0 303.362 2.702 20 5 DFBDRO Cc1noc(CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429069 398936837 /nfs/dbraw/zinc/93/68/37/398936837.db2.gz BGYCWKJQXLPLSP-DGCLKSJQSA-N 1 0 322.409 2.634 20 5 DFBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCc2nccn2C1 ZINC000595444109 398939705 /nfs/dbraw/zinc/93/97/05/398939705.db2.gz KZGCBZZUKFYMDY-GFCCVEGCSA-N 1 0 318.352 2.625 20 5 DFBDRO Cc1noc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1[N+](=O)[O-] ZINC000595470527 398945796 /nfs/dbraw/zinc/94/57/96/398945796.db2.gz ONNWDGHFNOETBX-YXCITZCRSA-N 1 0 323.393 2.653 20 5 DFBDRO CC(C)CNC(=O)CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595485236 398948375 /nfs/dbraw/zinc/94/83/75/398948375.db2.gz SOZVKRXUDKFRAJ-UHFFFAOYSA-N 1 0 321.421 2.622 20 5 DFBDRO COCC1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOCC1 ZINC000595502220 398951337 /nfs/dbraw/zinc/95/13/37/398951337.db2.gz XIHXPUSPSFMMNW-UHFFFAOYSA-N 1 0 314.769 2.533 20 5 DFBDRO CC(C)[C@]1(CO)CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595504556 398951690 /nfs/dbraw/zinc/95/16/90/398951690.db2.gz GCDHRNGKCUKIPT-MRXNPFEDSA-N 1 0 310.369 2.964 20 5 DFBDRO CCc1ccc(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1[N+](=O)[O-] ZINC000471946747 299316031 /nfs/dbraw/zinc/31/60/31/299316031.db2.gz AVPCVKBLFLDWHX-OAHLLOKOSA-N 1 0 321.421 2.863 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000157590599 398954869 /nfs/dbraw/zinc/95/48/69/398954869.db2.gz ZKCFCDGVXGQPPB-WDEREUQCSA-N 1 0 321.377 2.709 20 5 DFBDRO COc1ccc(NC(=O)[C@@H](C)[NH2+][C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC000157611109 398955028 /nfs/dbraw/zinc/95/50/28/398955028.db2.gz CESXARURWLCMDO-WDEREUQCSA-N 1 0 321.377 2.709 20 5 DFBDRO Cn1cnc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000595519741 398956206 /nfs/dbraw/zinc/95/62/06/398956206.db2.gz CADFTHHNKYIRQF-CQSZACIVSA-N 1 0 300.362 2.708 20 5 DFBDRO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000056196136 398957236 /nfs/dbraw/zinc/95/72/36/398957236.db2.gz WGZUNBHTCDNQOD-AVGNSLFASA-N 1 0 307.394 2.939 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000078456151 398957537 /nfs/dbraw/zinc/95/75/37/398957537.db2.gz QRXRLAKNRIWOMX-LBPRGKRZSA-N 1 0 322.365 2.814 20 5 DFBDRO CC[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])c(OC)c2)[C@@H](C)C1 ZINC000595535977 398959345 /nfs/dbraw/zinc/95/93/45/398959345.db2.gz LEDLPFHORQKEKN-ZDUSSCGKSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1sc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1[N+](=O)[O-] ZINC000604561725 398958771 /nfs/dbraw/zinc/95/87/71/398958771.db2.gz UNVIQJRCBVJDEV-NSHDSACASA-N 1 0 311.407 2.567 20 5 DFBDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000613389243 398969320 /nfs/dbraw/zinc/96/93/20/398969320.db2.gz FTKGHFANIFTYNU-KDOFPFPSSA-N 1 0 314.385 2.892 20 5 DFBDRO CC(C)[N@@H+](Cc1ccc(C(N)=O)cc1[N+](=O)[O-])CC1CCC1 ZINC000193205799 201007240 /nfs/dbraw/zinc/00/72/40/201007240.db2.gz CQQYNRPTKUGSMU-UHFFFAOYSA-N 1 0 305.378 2.704 20 5 DFBDRO CC(C)[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000193215212 201008468 /nfs/dbraw/zinc/00/84/68/201008468.db2.gz MABBIRXGBVXUKV-OAHLLOKOSA-N 1 0 322.405 2.845 20 5 DFBDRO Cc1cc(NC(=O)N2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000193545914 201072346 /nfs/dbraw/zinc/07/23/46/201072346.db2.gz WRDORLIVSFQVEF-UHFFFAOYSA-N 1 0 320.393 2.709 20 5 DFBDRO Cc1cnc(N2CCC[N@@H+](C3CCCC3)CC2)c([N+](=O)[O-])c1 ZINC000078665758 398977647 /nfs/dbraw/zinc/97/76/47/398977647.db2.gz UYJRBVOBQMTONO-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2CCCC[C@@H]21 ZINC000595568493 398976825 /nfs/dbraw/zinc/97/68/25/398976825.db2.gz VQKYACBCLOKAEZ-XUJVJEKNSA-N 1 0 303.362 2.796 20 5 DFBDRO COC(=O)c1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000194414816 201222728 /nfs/dbraw/zinc/22/27/28/201222728.db2.gz UCTFGTIMZPEASG-UHFFFAOYSA-N 1 0 314.341 2.714 20 5 DFBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000194724256 201279127 /nfs/dbraw/zinc/27/91/27/201279127.db2.gz MLMYIXHQHBQYRD-NWDGAFQWSA-N 1 0 314.345 2.668 20 5 DFBDRO COCCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000599507485 398998918 /nfs/dbraw/zinc/99/89/18/398998918.db2.gz XAXOWPUPIOPQGZ-UHFFFAOYSA-N 1 0 308.378 2.722 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 ZINC000271845544 209262805 /nfs/dbraw/zinc/26/28/05/209262805.db2.gz HOQRLZGNVZYKGA-XHSDSOJGSA-N 1 0 318.373 2.521 20 5 DFBDRO Cc1ccc([C@H](C)NC(=O)N(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000417820597 296054649 /nfs/dbraw/zinc/05/46/49/296054649.db2.gz CRSPOKSOIAOXPU-LBPRGKRZSA-N 1 0 322.409 2.591 20 5 DFBDRO CC[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1 ZINC000417821755 296054841 /nfs/dbraw/zinc/05/48/41/296054841.db2.gz DZIKVORDWLYGQA-GUTXKFCHSA-N 1 0 320.393 2.615 20 5 DFBDRO CC[C@H](NC(=O)N[C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417854875 296058154 /nfs/dbraw/zinc/05/81/54/296058154.db2.gz QJUDWEZGHVAUBC-HIFRSBDPSA-N 1 0 322.409 2.719 20 5 DFBDRO CC[C@@H](NC(=O)N[C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000417854876 296058218 /nfs/dbraw/zinc/05/82/18/296058218.db2.gz QJUDWEZGHVAUBC-UKRRQHHQSA-N 1 0 322.409 2.719 20 5 DFBDRO CC[C@@H](NC(=O)N1CCCC[C@@H]1C[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000417860941 296058536 /nfs/dbraw/zinc/05/85/36/296058536.db2.gz ZLSIVUDHJBIJOD-HUUCEWRRSA-N 1 0 320.393 2.569 20 5 DFBDRO CCOc1cc(N2CC[NH+](C[C@H]3C[C@@H]3C)CC2)ccc1[N+](=O)[O-] ZINC000475485931 299348045 /nfs/dbraw/zinc/34/80/45/299348045.db2.gz JNXGMBICLSCJRS-UONOGXRCSA-N 1 0 319.405 2.772 20 5 DFBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595642094 399015770 /nfs/dbraw/zinc/01/57/70/399015770.db2.gz NWOUHWXKULAROU-CHWSQXEVSA-N 1 0 310.394 2.749 20 5 DFBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000595642097 399016186 /nfs/dbraw/zinc/01/61/86/399016186.db2.gz NWOUHWXKULAROU-STQMWFEESA-N 1 0 310.394 2.749 20 5 DFBDRO CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000057156394 399019819 /nfs/dbraw/zinc/01/98/19/399019819.db2.gz PJVDSYMCZJWQOR-CYBMUJFWSA-N 1 0 307.394 2.835 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000595670590 399027586 /nfs/dbraw/zinc/02/75/86/399027586.db2.gz FILGNGDCVINWQT-IUODEOHRSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3nc(C4CC4)ncc3C2)cc1 ZINC000599619656 399030991 /nfs/dbraw/zinc/03/09/91/399030991.db2.gz NEFQCYFIDOWRJU-UHFFFAOYSA-N 1 0 324.384 2.863 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000595680336 399032667 /nfs/dbraw/zinc/03/26/67/399032667.db2.gz ZMPRKHJDGDCHSY-SWLSCSKDSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000595680337 399032861 /nfs/dbraw/zinc/03/28/61/399032861.db2.gz ZMPRKHJDGDCHSY-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091855784 193117670 /nfs/dbraw/zinc/11/76/70/193117670.db2.gz SIZNCXGRBSWQQG-TVKHYIBRSA-N 1 0 320.414 2.814 20 5 DFBDRO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CCO ZINC000595701115 399044676 /nfs/dbraw/zinc/04/46/76/399044676.db2.gz PWHFWUBJPCWGLG-RHSMWYFYSA-N 1 0 322.405 2.847 20 5 DFBDRO CN(C(=O)C[N@@H+]1CCCC2(CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000599672088 399055037 /nfs/dbraw/zinc/05/50/37/399055037.db2.gz AIRRTWMTCOWJTB-UHFFFAOYSA-N 1 0 317.389 2.824 20 5 DFBDRO COC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271797014 209224091 /nfs/dbraw/zinc/22/40/91/209224091.db2.gz LMHQEHNSGKFPAD-IRXDYDNUSA-N 1 0 316.357 2.606 20 5 DFBDRO COC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000271797018 209224000 /nfs/dbraw/zinc/22/40/00/209224000.db2.gz LMHQEHNSGKFPAD-SJORKVTESA-N 1 0 316.357 2.606 20 5 DFBDRO CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000418467739 296098409 /nfs/dbraw/zinc/09/84/09/296098409.db2.gz PCOQYOPXKQSDJJ-CYBMUJFWSA-N 1 0 322.409 2.647 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358250437 283940969 /nfs/dbraw/zinc/94/09/69/283940969.db2.gz PEHHSZRRQUOVEV-PMPSAXMXSA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755262 399069907 /nfs/dbraw/zinc/06/99/07/399069907.db2.gz JXFTTXWQEKSDTI-CHWSQXEVSA-N 1 0 323.368 2.993 20 5 DFBDRO O=C(CC[N@@H+]1CCC[C@@H](CCF)C1)Nc1ccccc1[N+](=O)[O-] ZINC000595754393 399070706 /nfs/dbraw/zinc/07/07/06/399070706.db2.gz ATSARXFRYBDGHE-ZDUSSCGKSA-N 1 0 323.368 2.995 20 5 DFBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000595780364 399080960 /nfs/dbraw/zinc/08/09/60/399080960.db2.gz JIBAIQVOTGXSPT-KGLIPLIRSA-N 1 0 308.378 2.863 20 5 DFBDRO Cc1cc(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000613779823 399081287 /nfs/dbraw/zinc/08/12/87/399081287.db2.gz WEQQAGZMZLKJJR-GFCCVEGCSA-N 1 0 320.393 2.755 20 5 DFBDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000613779209 399081382 /nfs/dbraw/zinc/08/13/82/399081382.db2.gz OBEZDINUFLWKMI-ZDUSSCGKSA-N 1 0 320.393 2.899 20 5 DFBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](c3ccsc3)[C@H](CO)C2)cs1 ZINC000249546326 202804573 /nfs/dbraw/zinc/80/45/73/202804573.db2.gz GIMNFOSQMBSFOA-STQMWFEESA-N 1 0 324.427 2.926 20 5 DFBDRO COc1cccc([C@@H](CNc2ccncc2[N+](=O)[O-])[NH+](C)C)c1 ZINC000058733233 399093685 /nfs/dbraw/zinc/09/36/85/399093685.db2.gz PADGXPZDYNWLIC-OAHLLOKOSA-N 1 0 316.361 2.713 20 5 DFBDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCC(F)CC1 ZINC000595817652 399097192 /nfs/dbraw/zinc/09/71/92/399097192.db2.gz ALHHJAFGAYFTJU-CDWSIMAYSA-N 1 0 323.368 2.700 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826970 399100952 /nfs/dbraw/zinc/10/09/52/399100952.db2.gz BNPRAPDDWDWBJC-HIFRSBDPSA-N 1 0 320.389 2.850 20 5 DFBDRO CC[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000419314737 296134096 /nfs/dbraw/zinc/13/40/96/296134096.db2.gz IQFGNIMOXNQRKN-STQMWFEESA-N 1 0 305.378 2.608 20 5 DFBDRO CC(C)CC1([NH2+]CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1 ZINC000595831456 399104443 /nfs/dbraw/zinc/10/44/43/399104443.db2.gz ORFFADPAYNGCDO-UHFFFAOYSA-N 1 0 317.389 2.652 20 5 DFBDRO COCCCC[N@H+](C)CCC(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000419391048 296139294 /nfs/dbraw/zinc/13/92/94/296139294.db2.gz QNUGWIJSAUBQIB-UHFFFAOYSA-N 1 0 323.393 2.590 20 5 DFBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCSC2)n1 ZINC000448027826 297330049 /nfs/dbraw/zinc/33/00/49/297330049.db2.gz NWCQSGIISIVART-FRRDWIJNSA-N 1 0 310.423 2.618 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])N[C@H]1CC[NH2+]C12CCC2 ZINC000600678634 399115771 /nfs/dbraw/zinc/11/57/71/399115771.db2.gz NRJWFIXATPVVRM-CJNGLKHVSA-N 1 0 303.406 2.790 20 5 DFBDRO Cc1ccc(CNc2ccc3c(c2)OCC[NH2+]C3)cc1[N+](=O)[O-] ZINC000600679771 399115784 /nfs/dbraw/zinc/11/57/84/399115784.db2.gz OLUMGPQWSXYEJW-UHFFFAOYSA-N 1 0 313.357 2.997 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CCCC[C@H]1CC1CCC1 ZINC000595873208 399118847 /nfs/dbraw/zinc/11/88/47/399118847.db2.gz YJOVXFITHWQBRT-HNNXBMFYSA-N 1 0 319.405 2.801 20 5 DFBDRO Cn1ccnc1[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000275021287 212077279 /nfs/dbraw/zinc/07/72/79/212077279.db2.gz DIZRFWDCYJUBFD-OAHLLOKOSA-N 1 0 300.362 2.612 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N(C)CC1=CCSC1 ZINC000595888806 399124620 /nfs/dbraw/zinc/12/46/20/399124620.db2.gz OVNRLFFKMUNDSB-LLVKDONJSA-N 1 0 321.402 2.527 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1=CCSC1 ZINC000595895318 399126120 /nfs/dbraw/zinc/12/61/20/399126120.db2.gz IQNQSRIRNKGGMZ-UHFFFAOYSA-N 1 0 308.403 2.969 20 5 DFBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C[C@H]1CCOC1 ZINC000093840419 193316282 /nfs/dbraw/zinc/31/62/82/193316282.db2.gz IRVRMXQTZUBQBR-SNVBAGLBSA-N 1 0 316.304 2.665 20 5 DFBDRO COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595904048 399129480 /nfs/dbraw/zinc/12/94/80/399129480.db2.gz XIRUBLFSCDWDLI-APLKWVCFSA-N 1 0 318.373 2.833 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N(C)[C@@H](C[NH3+])C(F)(F)F ZINC000595906923 399130472 /nfs/dbraw/zinc/13/04/72/399130472.db2.gz CSCUNOXOEHSRJE-SKDRFNHKSA-N 1 0 305.300 2.786 20 5 DFBDRO C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CC1(C)C ZINC000595910291 399131513 /nfs/dbraw/zinc/13/15/13/399131513.db2.gz STVMGOUGDQMZEZ-NEPJUHHUSA-N 1 0 305.378 2.900 20 5 DFBDRO C[NH2+][C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420173901 296160373 /nfs/dbraw/zinc/16/03/73/296160373.db2.gz VZOAUDZVYWYODT-SECBINFHSA-N 1 0 303.284 2.720 20 5 DFBDRO C[NH2+]C[C@@H]1CCN(c2cc(C)c([N+](=O)[O-])cc2C(F)(F)F)C1 ZINC000420180120 296160643 /nfs/dbraw/zinc/16/06/43/296160643.db2.gz CCEVAXIXKFDZBC-JTQLQIEISA-N 1 0 317.311 2.968 20 5 DFBDRO C[C@]1(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)CCCS1 ZINC000600114776 399140243 /nfs/dbraw/zinc/14/02/43/399140243.db2.gz AXTIEQODGWYLTK-IUODEOHRSA-N 1 0 322.434 2.762 20 5 DFBDRO C[C@@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@H]1C[NH3+] ZINC000420191540 296161533 /nfs/dbraw/zinc/16/15/33/296161533.db2.gz RRVVYMUYEILEGU-ABAIWWIYSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@H]([NH3+])[C@H]1CCCN(c2nccc3cc([N+](=O)[O-])ccc32)C1 ZINC000420185552 296160997 /nfs/dbraw/zinc/16/09/97/296160997.db2.gz KZIUJPIZXACANH-AAEUAGOBSA-N 1 0 300.362 2.707 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[C@@H]1[NH3+] ZINC000420188750 296161292 /nfs/dbraw/zinc/16/12/92/296161292.db2.gz OSLCGEXGQRJWTJ-OCCSQVGLSA-N 1 0 312.373 2.830 20 5 DFBDRO O=C(c1csc([N+](=O)[O-])c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595936225 399139620 /nfs/dbraw/zinc/13/96/20/399139620.db2.gz YJSULUDPJDPZBQ-GFCCVEGCSA-N 1 0 323.418 2.508 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1c1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC000420207492 296162446 /nfs/dbraw/zinc/16/24/46/296162446.db2.gz LDUFJIXQXFWQDW-CQSZACIVSA-N 1 0 312.373 2.845 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420210192 296162468 /nfs/dbraw/zinc/16/24/68/296162468.db2.gz NJNGSZGXAZRCBK-JTQLQIEISA-N 1 0 303.366 2.751 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC[NH2+]1 ZINC000420203349 296162176 /nfs/dbraw/zinc/16/21/76/296162176.db2.gz OEBQMLHNYOQXEW-NSHDSACASA-N 1 0 316.336 2.594 20 5 DFBDRO O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000060722328 399142736 /nfs/dbraw/zinc/14/27/36/399142736.db2.gz SGHKBBCGTYGYGL-GXTWGEPZSA-N 1 0 323.780 2.605 20 5 DFBDRO CN(c1nc2ccccc2cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420213799 296162755 /nfs/dbraw/zinc/16/27/55/296162755.db2.gz HZXVGDWTABACJR-PBWFPOADSA-N 1 0 312.373 2.862 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420215120 296162836 /nfs/dbraw/zinc/16/28/36/296162836.db2.gz RVNKNKYZMIVUML-JTQLQIEISA-N 1 0 303.366 2.751 20 5 DFBDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000600776874 399141917 /nfs/dbraw/zinc/14/19/17/399141917.db2.gz YAWNQNWCMQRTHY-VWEWPCDYSA-N 1 0 301.390 2.539 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c(OC(F)F)c1 ZINC000420218491 296163059 /nfs/dbraw/zinc/16/30/59/296163059.db2.gz XZMRLZILVXKJJH-SNVBAGLBSA-N 1 0 315.320 2.998 20 5 DFBDRO C[NH2+]CCC1CCN(c2nccc3cc([N+](=O)[O-])ccc32)CC1 ZINC000420225157 296163666 /nfs/dbraw/zinc/16/36/66/296163666.db2.gz IHUPIJARKFDBBI-UHFFFAOYSA-N 1 0 314.389 2.969 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)[C@H](C)C[NH2+]1 ZINC000420228774 296163869 /nfs/dbraw/zinc/16/38/69/296163869.db2.gz FSPZEVSXBCWYGU-CHWSQXEVSA-N 1 0 312.373 2.843 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000420237812 296164634 /nfs/dbraw/zinc/16/46/34/296164634.db2.gz CQPHHRXUVUSWTK-SCZZXKLOSA-N 1 0 301.293 2.749 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCN(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420243925 296165142 /nfs/dbraw/zinc/16/51/42/296165142.db2.gz XYNOKIUJXQIFTD-ZYHUDNBSSA-N 1 0 318.402 2.892 20 5 DFBDRO C[C@H]1CCN(c2nccc3cc([N+](=O)[O-])ccc32)[C@@H](C[NH3+])C1 ZINC000420253234 296165881 /nfs/dbraw/zinc/16/58/81/296165881.db2.gz AKMPYZQYRNSPGN-SMDDNHRTSA-N 1 0 300.362 2.707 20 5 DFBDRO CC(=O)c1cc(NC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000420260802 296166742 /nfs/dbraw/zinc/16/67/42/296166742.db2.gz OFESCVCCOJNYLZ-JOCQHMNTSA-N 1 0 305.378 2.974 20 5 DFBDRO COc1ccc2c(c1)ncc([N+](=O)[O-])c2N[C@@H](C)CCCC[NH3+] ZINC000420264344 296166972 /nfs/dbraw/zinc/16/69/72/296166972.db2.gz UWXDQFCKAGQFME-NSHDSACASA-N 1 0 318.377 2.503 20 5 DFBDRO Cc1c(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)cccc1[N+](=O)[O-] ZINC000264635828 204045607 /nfs/dbraw/zinc/04/56/07/204045607.db2.gz WGPFNDKRQNOQLZ-QWHCGFSZSA-N 1 0 318.295 2.791 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000420258514 296166516 /nfs/dbraw/zinc/16/65/16/296166516.db2.gz XTQRANHAQQIHFX-ZWNOBZJWSA-N 1 0 316.336 2.722 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNc1ccc([N+](=O)[O-])cc1OC(F)F ZINC000596030385 399152016 /nfs/dbraw/zinc/15/20/16/399152016.db2.gz WWICQZVIKMZSAU-SNVBAGLBSA-N 1 0 303.309 2.982 20 5 DFBDRO [NH3+][C@@H]1CN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC[C@H]1F ZINC000596030050 399152060 /nfs/dbraw/zinc/15/20/60/399152060.db2.gz GJVVQTRUIDLAHR-CHWSQXEVSA-N 1 0 316.336 2.532 20 5 DFBDRO C[N@H+](CC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1)C1CCC1 ZINC000600819208 399154380 /nfs/dbraw/zinc/15/43/80/399154380.db2.gz AGEJUDAJACVFBO-UHFFFAOYSA-N 1 0 317.389 2.570 20 5 DFBDRO COCC[C@@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000618551095 399155896 /nfs/dbraw/zinc/15/58/96/399155896.db2.gz SANOABGLYVHJQK-CQSZACIVSA-N 1 0 314.769 2.533 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)NCC1([NH2+]C)CCC1 ZINC000600824155 399156359 /nfs/dbraw/zinc/15/63/59/399156359.db2.gz KTNXFBLYQQIPKB-UHFFFAOYSA-N 1 0 323.418 2.579 20 5 DFBDRO Cc1cc(N2C[C@@H](C)[C@](C)(C[NH3+])C2)c2cccc([N+](=O)[O-])c2n1 ZINC000420290773 296169938 /nfs/dbraw/zinc/16/99/38/296169938.db2.gz WGUOVSLSUCOCLX-PIGZYNQJSA-N 1 0 314.389 2.873 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420292502 296170134 /nfs/dbraw/zinc/17/01/34/296170134.db2.gz WPNAWDCNKRJALZ-VXGBXAGGSA-N 1 0 321.377 2.619 20 5 DFBDRO Cc1cc(N2CC[NH+](Cc3ccccc3)CC2)ncc1[N+](=O)[O-] ZINC000080584505 399160729 /nfs/dbraw/zinc/16/07/29/399160729.db2.gz GZDATQBVCDUWJJ-UHFFFAOYSA-N 1 0 312.373 2.620 20 5 DFBDRO Cc1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])s1 ZINC000596069560 399162414 /nfs/dbraw/zinc/16/24/14/399162414.db2.gz MMPHGXBHIDKJRI-GHMZBOCLSA-N 1 0 313.423 2.876 20 5 DFBDRO CCc1cc(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)on1 ZINC000618569151 399162954 /nfs/dbraw/zinc/16/29/54/399162954.db2.gz MKYCHHRIMGRAJQ-KGLIPLIRSA-N 1 0 319.365 2.615 20 5 DFBDRO COCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000080611142 399163913 /nfs/dbraw/zinc/16/39/13/399163913.db2.gz BALITCMRPNVTHI-UHFFFAOYSA-N 1 0 307.394 2.816 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420337885 296176978 /nfs/dbraw/zinc/17/69/78/296176978.db2.gz KFTSSHMKBFBETJ-HNNXBMFYSA-N 1 0 307.369 2.698 20 5 DFBDRO Cn1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C(F)F)n1 ZINC000282477884 217025374 /nfs/dbraw/zinc/02/53/74/217025374.db2.gz OLOWSEXBEREXNV-UHFFFAOYSA-N 1 0 324.331 2.940 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)Cn1cccn1 ZINC000282521245 217058295 /nfs/dbraw/zinc/05/82/95/217058295.db2.gz GLMZZQHLAZMXMD-ZIAGYGMSSA-N 1 0 302.378 2.791 20 5 DFBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])N(C)C(=O)OC(C)(C)C ZINC000282635906 217141303 /nfs/dbraw/zinc/14/13/03/217141303.db2.gz GQGYYYNZFAAQQP-LBPRGKRZSA-N 1 0 323.393 2.940 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000420379963 296183729 /nfs/dbraw/zinc/18/37/29/296183729.db2.gz BWSDRAOGHLOMIC-QWHCGFSZSA-N 1 0 307.394 2.564 20 5 DFBDRO C[NH+](C)[C@@H]1CCN(c2ccc(C(F)(F)F)c([N+](=O)[O-])c2)C1 ZINC000596111063 399176946 /nfs/dbraw/zinc/17/69/46/399176946.db2.gz WDIFJENRLPIKSM-SNVBAGLBSA-N 1 0 303.284 2.754 20 5 DFBDRO COc1cc(N(C)C[C@H]2CC[N@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000596113295 399178335 /nfs/dbraw/zinc/17/83/35/399178335.db2.gz TYVGOSAEZIKRRY-JTQLQIEISA-N 1 0 313.785 2.645 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400529 296186405 /nfs/dbraw/zinc/18/64/05/296186405.db2.gz IPCCJGFIMRNHAL-UKRRQHHQSA-N 1 0 321.421 2.799 20 5 DFBDRO CCOc1cc(N2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000080785434 399179846 /nfs/dbraw/zinc/17/98/46/399179846.db2.gz RQZQENJUIZWGOR-UHFFFAOYSA-N 1 0 305.378 2.526 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000265966366 205005154 /nfs/dbraw/zinc/00/51/54/205005154.db2.gz HZRSSEWSDLDNOU-CYBMUJFWSA-N 1 0 321.421 2.719 20 5 DFBDRO CN(c1ccc([N+](=O)[O-])c2cnccc21)[C@@H]1CCC[N@H+](C)C1 ZINC000266000031 205014144 /nfs/dbraw/zinc/01/41/44/205014144.db2.gz KLLMZYMZBDURDT-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000266033130 205044199 /nfs/dbraw/zinc/04/41/99/205044199.db2.gz SVRUXWIMYURXON-UHFFFAOYSA-N 1 0 320.389 2.996 20 5 DFBDRO [NH3+]C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600950841 399184172 /nfs/dbraw/zinc/18/41/72/399184172.db2.gz AOJNGXJPVIXHFX-YUMQZZPRSA-N 1 0 309.313 2.620 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000600950866 399184262 /nfs/dbraw/zinc/18/42/62/399184262.db2.gz AWIZIGVGTGCWRN-QWRGUYRKSA-N 1 0 317.311 2.867 20 5 DFBDRO Cc1cc(N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1[N+](=O)[O-] ZINC000600950932 399183864 /nfs/dbraw/zinc/18/38/64/399183864.db2.gz BRTRLWUTAKWTFQ-ZYHUDNBSSA-N 1 0 317.311 2.867 20 5 DFBDRO CC(C)[C@H]1C[NH2+]CCN1c1ccnc2cc([N+](=O)[O-])ccc21 ZINC000600947803 399184650 /nfs/dbraw/zinc/18/46/50/399184650.db2.gz NSHNPLWNVFAWSH-MRXNPFEDSA-N 1 0 300.362 2.577 20 5 DFBDRO CCN(CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+]1CC ZINC000614236481 399185389 /nfs/dbraw/zinc/18/53/89/399185389.db2.gz UWQCMPGRNWOSOZ-OAHLLOKOSA-N 1 0 321.421 2.780 20 5 DFBDRO Cc1ccc([C@H](O)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000266073807 205076290 /nfs/dbraw/zinc/07/62/90/205076290.db2.gz XLZYOPGFYSFZJU-CYBMUJFWSA-N 1 0 310.737 2.973 20 5 DFBDRO Cc1ccc([C@@H](O)C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000266073810 205077742 /nfs/dbraw/zinc/07/77/42/205077742.db2.gz XLZYOPGFYSFZJU-ZDUSSCGKSA-N 1 0 310.737 2.973 20 5 DFBDRO Cc1cnc(NCC[C@@H]([NH3+])Cc2ccccc2)c([N+](=O)[O-])c1 ZINC000600961942 399188281 /nfs/dbraw/zinc/18/82/81/399188281.db2.gz XKTKWBBEMMSHGC-CQSZACIVSA-N 1 0 300.362 2.670 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000600960300 399188299 /nfs/dbraw/zinc/18/82/99/399188299.db2.gz CMHACYRDAPNZGC-DTWKUNHWSA-N 1 0 303.284 2.645 20 5 DFBDRO Cc1cc(N2C[C@H]([NH3+])C[C@@H]2C)c(Br)cc1[N+](=O)[O-] ZINC000600962684 399188312 /nfs/dbraw/zinc/18/83/12/399188312.db2.gz JOICXYQUMDAGHZ-DTWKUNHWSA-N 1 0 314.183 2.592 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1cccc(O)c1 ZINC000080919464 399188457 /nfs/dbraw/zinc/18/84/57/399188457.db2.gz NHSLFICRIJPQAK-UHFFFAOYSA-N 1 0 302.330 2.811 20 5 DFBDRO C[C@@H]1CN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000600960975 399188695 /nfs/dbraw/zinc/18/86/95/399188695.db2.gz KITMFKLSZLXISK-BDAKNGLRSA-N 1 0 303.284 2.645 20 5 DFBDRO C[C@@H]1C[C@H]([NH3+])CN1c1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC000600963266 399189509 /nfs/dbraw/zinc/18/95/09/399189509.db2.gz TXUWWPLBFHNHJE-MFKMUULPSA-N 1 0 316.336 2.722 20 5 DFBDRO C[C@@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2OC(F)F)C[NH2+]1 ZINC000600956052 399186822 /nfs/dbraw/zinc/18/68/22/399186822.db2.gz VLZIMZVIERNBSN-BDAKNGLRSA-N 1 0 301.293 2.749 20 5 DFBDRO Cc1cc([C@](C)(O)C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000266179553 205162908 /nfs/dbraw/zinc/16/29/08/205162908.db2.gz UUEPNVGDMJMHGD-MRXNPFEDSA-N 1 0 304.346 2.802 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(OC)ccc2[N+](=O)[O-])C1 ZINC000266200010 205178980 /nfs/dbraw/zinc/17/89/80/205178980.db2.gz JBAKTRIPIDWEFF-ZDUSSCGKSA-N 1 0 307.394 2.772 20 5 DFBDRO Cc1c(NC(=O)N(C)CCCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000614285430 399197121 /nfs/dbraw/zinc/19/71/21/399197121.db2.gz QANFINIIKNRSQI-UHFFFAOYSA-N 1 0 308.382 2.709 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(C(C)=O)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000266256266 205219497 /nfs/dbraw/zinc/21/94/97/205219497.db2.gz OBFNDUGAQBNXJP-WFASDCNBSA-N 1 0 319.405 2.964 20 5 DFBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCc1ccccc1[N+](=O)[O-] ZINC000288488385 220175686 /nfs/dbraw/zinc/17/56/86/220175686.db2.gz VVKYKXFXKMWHDR-CYBMUJFWSA-N 1 0 321.421 2.762 20 5 DFBDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000018182179 182097231 /nfs/dbraw/zinc/09/72/31/182097231.db2.gz SPBQZGVGQUNOPN-CYBMUJFWSA-N 1 0 320.393 2.981 20 5 DFBDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2ncc(F)cc2[N+](=O)[O-])C1 ZINC000601105698 399229028 /nfs/dbraw/zinc/22/90/28/399229028.db2.gz MIMXXRYVJLMRNG-SCRDCRAPSA-N 1 0 322.384 2.971 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000601130030 399235453 /nfs/dbraw/zinc/23/54/53/399235453.db2.gz CPFXCADUXWOFFN-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO O=[N+]([O-])c1cc(F)cnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000601132108 399236778 /nfs/dbraw/zinc/23/67/78/399236778.db2.gz AMGMPZVSXYGTMX-RISCZKNCSA-N 1 0 320.368 2.582 20 5 DFBDRO CN(CC1(O)CCCC1)c1ccnc2ccc([N+](=O)[O-])cc21 ZINC000601135080 399237492 /nfs/dbraw/zinc/23/74/92/399237492.db2.gz RPTVYHDILPECRH-UHFFFAOYSA-N 1 0 301.346 2.884 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 ZINC000267458838 206081466 /nfs/dbraw/zinc/08/14/66/206081466.db2.gz UHYSPTKJHXZZAW-GFCCVEGCSA-N 1 0 304.325 2.837 20 5 DFBDRO C[NH+]1CCC(n2cc(NCc3ccc([N+](=O)[O-])cc3)cn2)CC1 ZINC000601148642 399241019 /nfs/dbraw/zinc/24/10/19/399241019.db2.gz GBSPSQFHWRBADR-UHFFFAOYSA-N 1 0 315.377 2.670 20 5 DFBDRO C[NH+]1CCC(n2cc(NCc3cccc([N+](=O)[O-])c3)cn2)CC1 ZINC000601150444 399241862 /nfs/dbraw/zinc/24/18/62/399241862.db2.gz XDEOKRDHCMRFFD-UHFFFAOYSA-N 1 0 315.377 2.670 20 5 DFBDRO COc1ccc(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 ZINC000601150483 399241926 /nfs/dbraw/zinc/24/19/26/399241926.db2.gz YAUFYNSBMMVHEK-QGZVFWFLSA-N 1 0 316.357 2.601 20 5 DFBDRO C[C@@](CO)(Cc1ccc(F)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000601154071 399243452 /nfs/dbraw/zinc/24/34/52/399243452.db2.gz YEPVBGMFJVDALL-KRWDZBQOSA-N 1 0 318.348 2.817 20 5 DFBDRO CCOc1cc(CN(C)C[C@H]2CCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000421001890 296223115 /nfs/dbraw/zinc/22/31/15/296223115.db2.gz QEGRKGMQBGJPLB-CQSZACIVSA-N 1 0 307.394 2.520 20 5 DFBDRO Cc1ccnc(N2CCC(C)([NH+]3CCCC3)CC2)c1[N+](=O)[O-] ZINC000601216623 399256736 /nfs/dbraw/zinc/25/67/36/399256736.db2.gz TXQLUOVEOOQSPT-UHFFFAOYSA-N 1 0 304.394 2.753 20 5 DFBDRO CCC1([NH+]2CCCC2)CCN(c2ncc([N+](=O)[O-])cc2F)CC1 ZINC000601218099 399257542 /nfs/dbraw/zinc/25/75/42/399257542.db2.gz RYPSGFARNLQRNM-UHFFFAOYSA-N 1 0 322.384 2.974 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421065696 296232715 /nfs/dbraw/zinc/23/27/15/296232715.db2.gz KNPQDISFRGJYLE-ZDUSSCGKSA-N 1 0 320.393 2.770 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421117865 296236745 /nfs/dbraw/zinc/23/67/45/296236745.db2.gz YSCIEVKJWKDHGA-CYBMUJFWSA-N 1 0 320.393 2.770 20 5 DFBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 ZINC000601273568 399268547 /nfs/dbraw/zinc/26/85/47/399268547.db2.gz WKHTVUHRKWISOQ-JYJNAYRXSA-N 1 0 302.374 2.685 20 5 DFBDRO C[NH+](C)C1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000421240267 296242819 /nfs/dbraw/zinc/24/28/19/296242819.db2.gz ORDJHKOJQFBLCU-UHFFFAOYSA-N 1 0 324.356 2.728 20 5 DFBDRO C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000601295505 399272070 /nfs/dbraw/zinc/27/20/70/399272070.db2.gz WHNQJJGTRGGLKS-GFCCVEGCSA-N 1 0 324.377 2.604 20 5 DFBDRO C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000601294375 399272251 /nfs/dbraw/zinc/27/22/51/399272251.db2.gz NIQXHKRFFIVENN-LBPRGKRZSA-N 1 0 324.377 2.604 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F)cc1[N+](=O)[O-] ZINC000601300996 399273569 /nfs/dbraw/zinc/27/35/69/399273569.db2.gz OJYXAPCDBGRANM-SBMIAAHKSA-N 1 0 306.284 2.866 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000421435853 296255198 /nfs/dbraw/zinc/25/51/98/296255198.db2.gz QCQVENXREBENGU-CABCVRRESA-N 1 0 317.389 2.568 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000421458263 296257180 /nfs/dbraw/zinc/25/71/80/296257180.db2.gz LBFXHPFQBGYJLO-AWEZNQCLSA-N 1 0 317.389 2.520 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000421488549 296259775 /nfs/dbraw/zinc/25/97/75/296259775.db2.gz TWVCDVYDCPERFF-CQSZACIVSA-N 1 0 319.405 2.768 20 5 DFBDRO CS[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1[NH+]1CCCC1 ZINC000614978015 399287729 /nfs/dbraw/zinc/28/77/29/399287729.db2.gz RZGIHKPMRHWFME-MNOVXSKESA-N 1 0 313.448 2.672 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000421551832 296265205 /nfs/dbraw/zinc/26/52/05/296265205.db2.gz JSZPCDQCJWUARF-CQSZACIVSA-N 1 0 319.405 2.766 20 5 DFBDRO CCCN(CCC[NH+](C)C)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601518891 399295635 /nfs/dbraw/zinc/29/56/35/399295635.db2.gz HHTUTJNAFDTILT-UHFFFAOYSA-N 1 0 311.357 2.538 20 5 DFBDRO CCN(CCC[NH+]1CCCC1)C(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601515766 399295953 /nfs/dbraw/zinc/29/59/53/399295953.db2.gz CVNFIDWUOQQHAN-UHFFFAOYSA-N 1 0 323.368 2.682 20 5 DFBDRO C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000608886391 399300507 /nfs/dbraw/zinc/30/05/07/399300507.db2.gz HVTIKUAPELLKII-LBPRGKRZSA-N 1 0 307.394 2.750 20 5 DFBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ccncc3[N+](=O)[O-])C2)c1 ZINC000608974064 399302220 /nfs/dbraw/zinc/30/22/20/399302220.db2.gz WBLBPWWNVHZJIN-ZDUSSCGKSA-N 1 0 313.361 2.632 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000601590346 399304913 /nfs/dbraw/zinc/30/49/13/399304913.db2.gz VQOABWDTHQSVMW-LLVKDONJSA-N 1 0 311.357 2.584 20 5 DFBDRO COCCC[N@H+](CCOC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000042422083 183267301 /nfs/dbraw/zinc/26/73/01/183267301.db2.gz NWQATKPXFCRXPK-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000609449110 399318886 /nfs/dbraw/zinc/31/88/86/399318886.db2.gz ZSGDPGZXMUWSEY-CQSZACIVSA-N 1 0 321.425 2.785 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000609552415 399322824 /nfs/dbraw/zinc/32/28/24/399322824.db2.gz YRWOFDMAUDQQTH-CYBMUJFWSA-N 1 0 320.393 2.898 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC([NH+]2CCCC2)CC1 ZINC000051953313 425883607 /nfs/dbraw/zinc/88/36/07/425883607.db2.gz JLZXVJIIBXZEIQ-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO CON1CCC([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000421879905 296278415 /nfs/dbraw/zinc/27/84/15/296278415.db2.gz PLPFTUFNXNAAAD-QGZVFWFLSA-N 1 0 319.405 2.978 20 5 DFBDRO COCCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104678788 194024977 /nfs/dbraw/zinc/02/49/77/194024977.db2.gz JQUVTPBOAZQUCK-UHFFFAOYSA-N 1 0 319.361 2.761 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](CCO)C(C)C ZINC000273957489 211212275 /nfs/dbraw/zinc/21/22/75/211212275.db2.gz GATHHBMTDKUKTG-OAHLLOKOSA-N 1 0 310.394 2.879 20 5 DFBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284757446 218164922 /nfs/dbraw/zinc/16/49/22/218164922.db2.gz LXGQQXYSFFOONC-CZUORRHYSA-N 1 0 306.362 2.747 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105433804 194104911 /nfs/dbraw/zinc/10/49/11/194104911.db2.gz XCYBUCYVJAMJRA-UHFFFAOYSA-N 1 0 309.366 2.599 20 5 DFBDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000284842746 218202899 /nfs/dbraw/zinc/20/28/99/218202899.db2.gz RBICNQQXZHQGGZ-CYBMUJFWSA-N 1 0 323.368 2.615 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCO[C@H](C(F)F)CC1 ZINC000601972374 399372127 /nfs/dbraw/zinc/37/21/27/399372127.db2.gz ZOGKTCBYGFLVMR-KQIUPUNMSA-N 1 0 312.316 2.964 20 5 DFBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000601974740 399372173 /nfs/dbraw/zinc/37/21/73/399372173.db2.gz VYVBWSZZZUVBCM-PHIMTYICSA-N 1 0 316.279 2.692 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000601971815 399372276 /nfs/dbraw/zinc/37/22/76/399372276.db2.gz WPMFEXKFERRHPA-CZUORRHYSA-N 1 0 319.405 2.907 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\CN1CCO[C@H](C(F)F)CC1 ZINC000601972377 399372473 /nfs/dbraw/zinc/37/24/73/399372473.db2.gz ZOGKTCBYGFLVMR-MFBWXBCUSA-N 1 0 312.316 2.964 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000610585495 399383911 /nfs/dbraw/zinc/38/39/11/399383911.db2.gz QZLDBBPTEDAAKG-SWLSCSKDSA-N 1 0 303.362 2.716 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]CCn2ccc(C(F)(F)F)n2)cs1 ZINC000602017645 399385279 /nfs/dbraw/zinc/38/52/79/399385279.db2.gz QJPWGFBIGPUPEW-UHFFFAOYSA-N 1 0 320.296 2.661 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106789552 194253958 /nfs/dbraw/zinc/25/39/58/194253958.db2.gz UTFPNISFMKTQFA-ZDUSSCGKSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@H+](CCO[C@@H]1CCCCO1)CCc1ccccc1[N+](=O)[O-] ZINC000285361218 218397894 /nfs/dbraw/zinc/39/78/94/218397894.db2.gz QGTZZRSOLDGLNU-MRXNPFEDSA-N 1 0 308.378 2.612 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000610674845 399390887 /nfs/dbraw/zinc/39/08/87/399390887.db2.gz KCNVBWJGAOKYHM-DGCLKSJQSA-N 1 0 320.393 2.673 20 5 DFBDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619782589 399391657 /nfs/dbraw/zinc/39/16/57/399391657.db2.gz FJNDWCCZKBUOJC-FZMZJTMJSA-N 1 0 322.386 2.747 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(n3ccnc3)CC2)cc1 ZINC000109792387 194284902 /nfs/dbraw/zinc/28/49/02/194284902.db2.gz BTRQXSQMAWJDOA-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)cc1[N+](=O)[O-] ZINC000109792362 194284985 /nfs/dbraw/zinc/28/49/85/194284985.db2.gz ZFNVXYPKWUKXEZ-UHFFFAOYSA-N 1 0 316.361 2.637 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC2(CC[NH2+]2)CC1 ZINC000422536601 296311363 /nfs/dbraw/zinc/31/13/63/296311363.db2.gz FUFDZPOLVUUJIU-UHFFFAOYSA-N 1 0 315.295 2.946 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCOCC1CC1)C1CC1 ZINC000268843141 207007678 /nfs/dbraw/zinc/00/76/78/207007678.db2.gz BCTLBLKJCGTBJN-INIZCTEOSA-N 1 0 304.390 2.932 20 5 DFBDRO C[C@@H](C[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(C)(C)C ZINC000619843832 399395386 /nfs/dbraw/zinc/39/53/86/399395386.db2.gz QSJZJNCZPXDJBG-ZDUSSCGKSA-N 1 0 306.410 2.794 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000268869293 207037845 /nfs/dbraw/zinc/03/78/45/207037845.db2.gz JOPGKESHXBYXSX-DYVFJYSZSA-N 1 0 300.358 2.849 20 5 DFBDRO CCC[C@@H]([NH2+]CCN(C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000268872947 207042054 /nfs/dbraw/zinc/04/20/54/207042054.db2.gz VAJVYJKLURNIBL-MRXNPFEDSA-N 1 0 309.410 2.604 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)cccc1[N+](=O)[O-] ZINC000268886713 207056830 /nfs/dbraw/zinc/05/68/30/207056830.db2.gz IZLXQUPVQFXDHM-GFCCVEGCSA-N 1 0 305.378 2.600 20 5 DFBDRO O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000602168132 399404619 /nfs/dbraw/zinc/40/46/19/399404619.db2.gz SVVIDKLJQLHHQH-BETUJISGSA-N 1 0 323.780 2.605 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000610815169 399409290 /nfs/dbraw/zinc/40/92/90/399409290.db2.gz ZHQHCFAEJJTZRM-KBPBESRZSA-N 1 0 308.378 2.607 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)[C@@H](Nc2nc3ccccc3cc2[N+](=O)[O-])C1 ZINC000616060708 399417519 /nfs/dbraw/zinc/41/75/19/399417519.db2.gz GNOXDAJPKINRBH-RISCZKNCSA-N 1 0 300.362 2.895 20 5 DFBDRO CC[N@H+]1C[C@H](NC(=O)Nc2cc(C)c([N+](=O)[O-])cc2C)[C@@H](C)C1 ZINC000616121604 399424296 /nfs/dbraw/zinc/42/42/96/399424296.db2.gz OZFGUVYJMZPARG-JSGCOSHPSA-N 1 0 320.393 2.673 20 5 DFBDRO CO[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C(C)C ZINC000269002344 207159433 /nfs/dbraw/zinc/15/94/33/207159433.db2.gz VAZDTYAQOIGIQC-IUODEOHRSA-N 1 0 323.393 2.573 20 5 DFBDRO O=[N+]([O-])c1cccc(C[N@H+](CCCO)Cc2ccccc2)c1 ZINC000269012021 207164539 /nfs/dbraw/zinc/16/45/39/207164539.db2.gz VNCVTJOAIVSIRH-UHFFFAOYSA-N 1 0 300.358 2.979 20 5 DFBDRO C[C@H]1CCC[C@](CNC(=O)c2cccc([N+](=O)[O-])c2)([NH+](C)C)C1 ZINC000060410672 184149185 /nfs/dbraw/zinc/14/91/85/184149185.db2.gz SPDYQOZTCCFBRR-GUYCJALGSA-N 1 0 319.405 2.835 20 5 DFBDRO O=C(Cc1ccc([N+](=O)[O-])cc1)NCCC[NH+]1CCCCCC1 ZINC000060635011 184153443 /nfs/dbraw/zinc/15/34/43/184153443.db2.gz FSFUPCMLDDKTGX-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO CCC[NH+]1CCC(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000061031571 184159989 /nfs/dbraw/zinc/15/99/89/184159989.db2.gz IJPRKGPYSNAQFH-UHFFFAOYSA-N 1 0 305.378 2.507 20 5 DFBDRO COc1ccc(OCC[N@@H+]2CC[C@H](C(F)F)C2)c([N+](=O)[O-])c1 ZINC000611179694 399443122 /nfs/dbraw/zinc/44/31/22/399443122.db2.gz HTLIFLPCDAMHRN-JTQLQIEISA-N 1 0 316.304 2.569 20 5 DFBDRO Cc1ccc(C[N@@H+]2CCC[C@H](n3ccnc3)C2)cc1[N+](=O)[O-] ZINC000611268068 399454503 /nfs/dbraw/zinc/45/45/03/399454503.db2.gz CQILZCDZRIXVNA-HNNXBMFYSA-N 1 0 300.362 2.937 20 5 DFBDRO C[C@@H]([N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1(C)CC1 ZINC000611285785 399458416 /nfs/dbraw/zinc/45/84/16/399458416.db2.gz YUDXHTBOGJIUMC-LLVKDONJSA-N 1 0 306.362 2.986 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H](CC2CC2)c2ccccc2)c1 ZINC000611336972 399462987 /nfs/dbraw/zinc/46/29/87/399462987.db2.gz WVVWENIOMWOASC-MRXNPFEDSA-N 1 0 300.362 2.922 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CC=CCC3)CC2)cn1 ZINC000602527108 399467731 /nfs/dbraw/zinc/46/77/31/399467731.db2.gz YPOMQQKPJHUYEQ-AWEZNQCLSA-N 1 0 316.405 2.905 20 5 DFBDRO C[C@@H](COCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602533449 399469500 /nfs/dbraw/zinc/46/95/00/399469500.db2.gz HHNFIAJVIRQEKX-JTQLQIEISA-N 1 0 306.284 2.694 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000065668057 184376851 /nfs/dbraw/zinc/37/68/51/184376851.db2.gz HSEYTBREFWBTHZ-UHFFFAOYSA-N 1 0 317.311 2.711 20 5 DFBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000611409141 399471879 /nfs/dbraw/zinc/47/18/79/399471879.db2.gz SWGDYHIVVSYUCN-JTQLQIEISA-N 1 0 305.334 2.929 20 5 DFBDRO Cc1nccn1CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602552049 399473919 /nfs/dbraw/zinc/47/39/19/399473919.db2.gz RQNHTVRFFNODQL-UHFFFAOYSA-N 1 0 302.378 2.712 20 5 DFBDRO C[C@@H]1CN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC[C@@H]1[NH3+] ZINC000269223634 207343108 /nfs/dbraw/zinc/34/31/08/207343108.db2.gz SNUPJLSKIHQQBC-SKDRFNHKSA-N 1 0 319.386 2.619 20 5 DFBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602559752 399475130 /nfs/dbraw/zinc/47/51/30/399475130.db2.gz QKFFFADWCVAXTM-DTWKUNHWSA-N 1 0 306.284 2.720 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000422754667 296327441 /nfs/dbraw/zinc/32/74/41/296327441.db2.gz JTICXQNFKDTDEP-GXTWGEPZSA-N 1 0 319.405 2.836 20 5 DFBDRO CC1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CCC1 ZINC000602563945 399477486 /nfs/dbraw/zinc/47/74/86/399477486.db2.gz IXHDBNJXIXHRMX-UHFFFAOYSA-N 1 0 304.394 2.738 20 5 DFBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@H]4OCC[C@@H]43)nc2c1 ZINC000602567912 399477932 /nfs/dbraw/zinc/47/79/32/399477932.db2.gz LVCFHYMMJXRLDL-YRGRVCCFSA-N 1 0 317.345 2.783 20 5 DFBDRO CCc1ccc(C(=O)N2CCCCC[C@H]([NH3+])C2)cc1[N+](=O)[O-] ZINC000602579818 399481524 /nfs/dbraw/zinc/48/15/24/399481524.db2.gz KPZJWWLOTDEITL-AWEZNQCLSA-N 1 0 305.378 2.501 20 5 DFBDRO CO[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000602580354 399481587 /nfs/dbraw/zinc/48/15/87/399481587.db2.gz MGLMFROATLKYEJ-SFHVURJKSA-N 1 0 314.385 2.985 20 5 DFBDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000602580032 399481671 /nfs/dbraw/zinc/48/16/71/399481671.db2.gz CCCUUWXJWMHBMF-JHJVBQTASA-N 1 0 305.378 2.693 20 5 DFBDRO CC(C)(CO)C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602582392 399482137 /nfs/dbraw/zinc/48/21/37/399482137.db2.gz NULOXVZEYMTHCW-UHFFFAOYSA-N 1 0 306.284 2.722 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000602581887 399482561 /nfs/dbraw/zinc/48/25/61/399482561.db2.gz TYTWBMGOXPZQOI-AWEZNQCLSA-N 1 0 319.405 2.864 20 5 DFBDRO Cc1c(NC(=O)CC[N@H+]2CC[C@@H](C)[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000611502301 399483134 /nfs/dbraw/zinc/48/31/34/399483134.db2.gz RAXUMVOURRWGIO-DGCLKSJQSA-N 1 0 323.368 2.912 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000611501835 399483305 /nfs/dbraw/zinc/48/33/05/399483305.db2.gz ITWJHLGVJYFVKW-RISCZKNCSA-N 1 0 323.368 2.912 20 5 DFBDRO O=C(CC[NH2+]CCc1ccc([N+](=O)[O-])cc1)N1CCCCCC1 ZINC000602586440 399483999 /nfs/dbraw/zinc/48/39/99/399483999.db2.gz RBTSBLPMUBYGTR-UHFFFAOYSA-N 1 0 319.405 2.520 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000602604396 399488082 /nfs/dbraw/zinc/48/80/82/399488082.db2.gz MTKNAHRLNSUZTA-JOCQHMNTSA-N 1 0 305.378 2.520 20 5 DFBDRO C[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@H]1O ZINC000602623805 399494046 /nfs/dbraw/zinc/49/40/46/399494046.db2.gz QWZYBJQLVFDGDN-NOZJJQNGSA-N 1 0 318.295 2.816 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC[C@@H]1O ZINC000602623808 399494319 /nfs/dbraw/zinc/49/43/19/399494319.db2.gz QWZYBJQLVFDGDN-ZANVPECISA-N 1 0 318.295 2.816 20 5 DFBDRO Cc1ccc(C[C@H](CO)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602628470 399495430 /nfs/dbraw/zinc/49/54/30/399495430.db2.gz GVGMJBJZKKLJDJ-QGZVFWFLSA-N 1 0 314.385 2.639 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)n1 ZINC000611616431 399498870 /nfs/dbraw/zinc/49/88/70/399498870.db2.gz OAEHXLWAOHETOR-UONOGXRCSA-N 1 0 304.394 2.670 20 5 DFBDRO C[C@H]1CCC[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000602650547 399502401 /nfs/dbraw/zinc/50/24/01/399502401.db2.gz YACNHVHNSNLYLQ-KBPBESRZSA-N 1 0 318.421 2.984 20 5 DFBDRO COc1cc(N2CC[NH+](CC(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000301971761 532955588 /nfs/dbraw/zinc/95/55/88/532955588.db2.gz SQOSUDZWGIKIDR-UHFFFAOYSA-N 1 0 311.357 2.521 20 5 DFBDRO C[C@H](Nc1ncnc2ccc([N+](=O)[O-])cc21)C(C)(C)C[NH+](C)C ZINC000611709903 399509820 /nfs/dbraw/zinc/50/98/20/399509820.db2.gz XFWOFVOSBFQIBN-NSHDSACASA-N 1 0 317.393 2.926 20 5 DFBDRO CC(=O)N1CCC[N@@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347361494 285014410 /nfs/dbraw/zinc/01/44/10/285014410.db2.gz OZAUIFCOBZXYEY-SDNWHVSQSA-N 1 0 317.389 2.552 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000422852840 296345025 /nfs/dbraw/zinc/34/50/25/296345025.db2.gz RIMBDABAHDJBLX-BLLLJJGKSA-N 1 0 319.405 2.918 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-] ZINC000422858338 296345976 /nfs/dbraw/zinc/34/59/76/296345976.db2.gz ZUPWSRGRYDTEBP-OCCSQVGLSA-N 1 0 319.405 2.918 20 5 DFBDRO CCOC(=O)C1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347382217 285022221 /nfs/dbraw/zinc/02/22/21/285022221.db2.gz UPRBLERHFDUHSY-UKTHLTGXSA-N 1 0 318.373 2.931 20 5 DFBDRO O=[N+]([O-])c1cccc2ncnc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c21 ZINC000347401349 285034182 /nfs/dbraw/zinc/03/41/82/285034182.db2.gz CUZLAEIEMPLALP-VXGBXAGGSA-N 1 0 313.361 2.577 20 5 DFBDRO CO[C@H](C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000602671154 399513326 /nfs/dbraw/zinc/51/33/26/399513326.db2.gz RBIHUTQSIMTLBH-MRXNPFEDSA-N 1 0 303.362 2.633 20 5 DFBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCCO1 ZINC000119722632 195025446 /nfs/dbraw/zinc/02/54/46/195025446.db2.gz HXTHVOTZWXNRET-GJZGRUSLSA-N 1 0 322.361 2.509 20 5 DFBDRO C[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000602687005 399520467 /nfs/dbraw/zinc/52/04/67/399520467.db2.gz UEIHVHMCUXKKLU-BXKDBHETSA-N 1 0 318.295 2.816 20 5 DFBDRO CO[C@]1(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)CCOC1 ZINC000602684629 399518987 /nfs/dbraw/zinc/51/89/87/399518987.db2.gz ICTBEGWYYGLWRP-WBVHZDCISA-N 1 0 320.389 2.580 20 5 DFBDRO Cn1ccnc1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000270046826 208101584 /nfs/dbraw/zinc/10/15/84/208101584.db2.gz TZGUBTKBAXUGFY-ZFWWWQNUSA-N 1 0 314.389 2.829 20 5 DFBDRO COc1cc(NCC[N@H+]2CC=C(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000302158838 533029535 /nfs/dbraw/zinc/02/95/35/533029535.db2.gz OQEKFPQLYGAJDC-UHFFFAOYSA-N 1 0 309.341 2.806 20 5 DFBDRO O=[N+]([O-])c1c(F)cccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000301333250 285077101 /nfs/dbraw/zinc/07/71/01/285077101.db2.gz FIXGSKGZAUPMIZ-OUCADQQQSA-N 1 0 305.353 2.654 20 5 DFBDRO COc1cc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000347558994 285078043 /nfs/dbraw/zinc/07/80/43/285078043.db2.gz OXDJJNIGQVNJGG-LBPRGKRZSA-N 1 0 317.345 2.728 20 5 DFBDRO COc1cc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])cc1F ZINC000302690144 533034361 /nfs/dbraw/zinc/03/43/61/533034361.db2.gz VBFONHSNAUGSPY-LLVKDONJSA-N 1 0 311.357 2.886 20 5 DFBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CC[NH+](C2CCC2)CC1 ZINC000264963845 285079714 /nfs/dbraw/zinc/07/97/14/285079714.db2.gz OGVPRBUXJXQBBB-UHFFFAOYSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000602707189 399531671 /nfs/dbraw/zinc/53/16/71/399531671.db2.gz DNQSYVHTGRKQJR-IAGOWNOFSA-N 1 0 303.406 2.744 20 5 DFBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)O1 ZINC000602709606 399532902 /nfs/dbraw/zinc/53/29/02/399532902.db2.gz GUFZMUJCBVTZLR-PWSUYJOCSA-N 1 0 305.334 2.783 20 5 DFBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000262503173 285085917 /nfs/dbraw/zinc/08/59/17/285085917.db2.gz MFEALNKVBOTABA-NXEZZACHSA-N 1 0 315.295 2.659 20 5 DFBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602721104 399538971 /nfs/dbraw/zinc/53/89/71/399538971.db2.gz GQRPYCDLKUHXSQ-SNVBAGLBSA-N 1 0 305.334 2.641 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)cn1 ZINC000602729192 399544000 /nfs/dbraw/zinc/54/40/00/399544000.db2.gz SZUFRLQOEJOHGB-HNNXBMFYSA-N 1 0 316.405 2.881 20 5 DFBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000270320106 208391652 /nfs/dbraw/zinc/39/16/52/208391652.db2.gz XUBLCWAJOQQICL-CQSZACIVSA-N 1 0 310.350 2.793 20 5 DFBDRO COCC1(C2CC2)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000602732520 399545143 /nfs/dbraw/zinc/54/51/43/399545143.db2.gz RDSLWFNWUBUQEN-GQCTYLIASA-N 1 0 302.374 2.966 20 5 DFBDRO [NH3+][C@H]1CCC[C@H]1NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090208 296377173 /nfs/dbraw/zinc/37/71/73/296377173.db2.gz UWYMRLVBGGAFDR-NWDGAFQWSA-N 1 0 303.284 2.583 20 5 DFBDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OCC)c2)C1 ZINC000288661956 220331818 /nfs/dbraw/zinc/33/18/18/220331818.db2.gz BSZNUZFFAIDUGP-KRWDZBQOSA-N 1 0 322.405 2.978 20 5 DFBDRO COc1ccc([C@H](C)[N@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000602756843 399558568 /nfs/dbraw/zinc/55/85/68/399558568.db2.gz ALIHKXGAUIMMTP-LBPRGKRZSA-N 1 0 318.377 2.801 20 5 DFBDRO CC(C)[N@H+](CCc1cnccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602762245 399559969 /nfs/dbraw/zinc/55/99/69/399559969.db2.gz DADOWBRJSCEMHN-UHFFFAOYSA-N 1 0 300.362 2.838 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000158569746 197285093 /nfs/dbraw/zinc/28/50/93/197285093.db2.gz RCLSKGXLMPHDPK-NWDGAFQWSA-N 1 0 323.418 2.564 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000602779364 399569158 /nfs/dbraw/zinc/56/91/58/399569158.db2.gz FZTROSRVNVTZRV-GFCCVEGCSA-N 1 0 300.362 2.547 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000602783118 399572004 /nfs/dbraw/zinc/57/20/04/399572004.db2.gz YQQQHKLARPSVPX-CJNGLKHVSA-N 1 0 314.389 2.978 20 5 DFBDRO CCc1ccc([C@H](NCCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423181081 296388889 /nfs/dbraw/zinc/38/88/89/296388889.db2.gz FIHMWBQZYMREAC-MRXNPFEDSA-N 1 0 303.362 2.778 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@H+](Cc2cccc(F)c2)C2CC2)c1 ZINC000157728860 197211268 /nfs/dbraw/zinc/21/12/68/197211268.db2.gz VHQNHWOKQOBKMN-UHFFFAOYSA-N 1 0 304.325 2.595 20 5 DFBDRO CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000347787063 285174253 /nfs/dbraw/zinc/17/42/53/285174253.db2.gz GRMAGCFQPAODOE-CQSZACIVSA-N 1 0 320.368 2.824 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000602804981 399582071 /nfs/dbraw/zinc/58/20/71/399582071.db2.gz IYYCPHQXMUABEB-UHFFFAOYSA-N 1 0 324.331 2.903 20 5 DFBDRO CC[C@H]([NH2+]CC(=O)Nc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000602805621 399582607 /nfs/dbraw/zinc/58/26/07/399582607.db2.gz OYXUAXQZVDJXDA-AWEZNQCLSA-N 1 0 314.345 2.669 20 5 DFBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](CN)C1CC1 ZINC000423274434 296399481 /nfs/dbraw/zinc/39/94/81/296399481.db2.gz KLXKYQXMKLSDHK-STQMWFEESA-N 1 0 309.435 2.792 20 5 DFBDRO Cc1ccc([C@@H](C)NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1[N+](=O)[O-] ZINC000423273780 296399500 /nfs/dbraw/zinc/39/95/00/296399500.db2.gz JJCHVGGGQYVOGD-IUODEOHRSA-N 1 0 319.405 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCc3cnccn3)C2)cc1 ZINC000602843983 399599025 /nfs/dbraw/zinc/59/90/25/399599025.db2.gz ZQZOBUKXMPJEEJ-OAHLLOKOSA-N 1 0 312.373 2.807 20 5 DFBDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2C)C1 ZINC000156071929 197084498 /nfs/dbraw/zinc/08/44/98/197084498.db2.gz NHUSREOEFKFDEM-ZDUSSCGKSA-N 1 0 320.393 2.709 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-] ZINC000423386734 296411481 /nfs/dbraw/zinc/41/14/81/296411481.db2.gz RNMLFFMWKMXINP-OBJOEFQTSA-N 1 0 307.394 2.785 20 5 DFBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)c1 ZINC000294706720 224182088 /nfs/dbraw/zinc/18/20/88/224182088.db2.gz BNXZMEBQZMWHRQ-DOTOQJQBSA-N 1 0 313.357 3.000 20 5 DFBDRO CC[N@H+]1[C@H](C)CN(Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000602874023 399611083 /nfs/dbraw/zinc/61/10/83/399611083.db2.gz MXHRTHISBVSLPR-TXEJJXNPSA-N 1 0 318.377 2.651 20 5 DFBDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000153946677 196924429 /nfs/dbraw/zinc/92/44/29/196924429.db2.gz QMIUFYPOYISYNI-CQDKDKBSSA-N 1 0 306.362 2.507 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120403723 195159609 /nfs/dbraw/zinc/15/96/09/195159609.db2.gz PHODNSRWYCCXAH-IMJJTQAJSA-N 1 0 320.389 2.849 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423508646 296424036 /nfs/dbraw/zinc/42/40/36/296424036.db2.gz IXDKFNHMSMFJHC-WDEREUQCSA-N 1 0 323.418 2.516 20 5 DFBDRO C[N@H+](CCC1CCOCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000120514531 195181982 /nfs/dbraw/zinc/18/19/82/195181982.db2.gz MYJJGEYZNGDWQJ-UHFFFAOYSA-N 1 0 319.361 2.985 20 5 DFBDRO C[C@H](c1cccnc1)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000271598641 209047395 /nfs/dbraw/zinc/04/73/95/209047395.db2.gz UWAXVCRXDDTJIM-MLGOLLRUSA-N 1 0 301.346 2.716 20 5 DFBDRO CCOc1cc(C[NH2+][C@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000289500687 221021823 /nfs/dbraw/zinc/02/18/23/221021823.db2.gz KVKIMRGIVZJFNP-CQSZACIVSA-N 1 0 308.378 2.634 20 5 DFBDRO CCOc1cc(C[NH2+][C@@H](CO)C2CCCC2)ccc1[N+](=O)[O-] ZINC000289500682 221021510 /nfs/dbraw/zinc/02/15/10/221021510.db2.gz KVKIMRGIVZJFNP-AWEZNQCLSA-N 1 0 308.378 2.634 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N(CC[NH+](C)C)C(C)C ZINC000289629514 221115228 /nfs/dbraw/zinc/11/52/28/221115228.db2.gz BZOCUPCYCAQJCC-UHFFFAOYSA-N 1 0 322.409 2.961 20 5 DFBDRO C[N@H+]1CC=C(CNC(=O)Nc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC000289767112 221212869 /nfs/dbraw/zinc/21/28/69/221212869.db2.gz SBWIFGXTDAUQAB-UHFFFAOYSA-N 1 0 324.768 2.632 20 5 DFBDRO Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC2(CCSCC2)CC1 ZINC000602949299 399636275 /nfs/dbraw/zinc/63/62/75/399636275.db2.gz GVQCRDROYJHHJW-UHFFFAOYSA-N 1 0 324.450 2.709 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000602950985 399637756 /nfs/dbraw/zinc/63/77/56/399637756.db2.gz SBJFVJYMRZNPNM-UHFFFAOYSA-N 1 0 320.393 2.770 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000292880016 533226819 /nfs/dbraw/zinc/22/68/19/533226819.db2.gz BZUIECXQTPMCRW-LLVKDONJSA-N 1 0 321.377 2.709 20 5 DFBDRO COc1cc(C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000602997266 399654703 /nfs/dbraw/zinc/65/47/03/399654703.db2.gz GROANOISUPWCGJ-YCPHGPKFSA-N 1 0 320.389 2.729 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](O)C[C@@H]1C1CC1 ZINC000602974505 399644376 /nfs/dbraw/zinc/64/43/76/399644376.db2.gz PFSLRUFHFPONNQ-JKSUJKDBSA-N 1 0 320.389 2.727 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000612578176 399680220 /nfs/dbraw/zinc/68/02/20/399680220.db2.gz ASKZBEPDHFXERE-INIZCTEOSA-N 1 0 300.362 2.937 20 5 DFBDRO CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612580296 399681410 /nfs/dbraw/zinc/68/14/10/399681410.db2.gz NVULQECGVIFFAR-WMLDXEAASA-N 1 0 319.405 2.640 20 5 DFBDRO CCC[C@H]([NH3+])c1cn([C@H](C)c2cc([N+](=O)[O-])ccc2C)nn1 ZINC000603248378 399722319 /nfs/dbraw/zinc/72/23/19/399722319.db2.gz CGNIDEMOWIJNBF-RISCZKNCSA-N 1 0 303.366 2.904 20 5 DFBDRO CSc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000122083720 195397862 /nfs/dbraw/zinc/39/78/62/195397862.db2.gz BSYIBZGNLXEVLT-CMPLNLGQSA-N 1 0 323.418 2.659 20 5 DFBDRO Cc1c(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000423792255 296448805 /nfs/dbraw/zinc/44/88/05/296448805.db2.gz BLBGTAQXNHRTBO-LSDHHAIUSA-N 1 0 319.405 2.817 20 5 DFBDRO COc1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000124042347 195598136 /nfs/dbraw/zinc/59/81/36/195598136.db2.gz XPLFNKMBZSUPQH-INIZCTEOSA-N 1 0 310.394 2.880 20 5 DFBDRO CCC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125653363 195773570 /nfs/dbraw/zinc/77/35/70/195773570.db2.gz PHIXFEQWHFMJNM-SJORKVTESA-N 1 0 322.405 2.815 20 5 DFBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000603407977 399768096 /nfs/dbraw/zinc/76/80/96/399768096.db2.gz KDJMOWMTFGBFID-UHFFFAOYSA-N 1 0 305.378 2.650 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000617742722 399785671 /nfs/dbraw/zinc/78/56/71/399785671.db2.gz VMSCNTBIVARQMX-ZDUSSCGKSA-N 1 0 307.394 2.546 20 5 DFBDRO CCC[C@H](C)C(=O)NCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000292435247 131650381 /nfs/dbraw/zinc/65/03/81/131650381.db2.gz MFLBXWVSHLQJRZ-STQMWFEESA-N 1 0 307.394 2.798 20 5 DFBDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc([N+](=O)[O-])o1 ZINC000603589932 399792095 /nfs/dbraw/zinc/79/20/95/399792095.db2.gz QAUKYNAXXLSFDC-UHFFFAOYSA-N 1 0 319.317 2.510 20 5 DFBDRO C[NH+](C)CCOc1ccc(CNc2cccnc2[N+](=O)[O-])cc1 ZINC000603866252 399809886 /nfs/dbraw/zinc/80/98/86/399809886.db2.gz QBTKYSJGFVEGBZ-UHFFFAOYSA-N 1 0 316.361 2.542 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCSCC2)cc1[N+](=O)[O-] ZINC000223466919 542886394 /nfs/dbraw/zinc/88/63/94/542886394.db2.gz SPTXKRZNFKDPRU-ZDUSSCGKSA-N 1 0 309.435 2.603 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)ccc1[N+](=O)[O-] ZINC000348534104 285591292 /nfs/dbraw/zinc/59/12/92/285591292.db2.gz OXIDTESGSSTQNM-JQWIXIFHSA-N 1 0 316.304 2.853 20 5 DFBDRO CC1CC[NH+](C[C@@H]2CCCN(c3cccnc3[N+](=O)[O-])C2)CC1 ZINC000604525117 399852564 /nfs/dbraw/zinc/85/25/64/399852564.db2.gz PUMMPUZAQYSPOI-HNNXBMFYSA-N 1 0 318.421 2.938 20 5 DFBDRO C[C@@H](O)C[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000072713978 145189138 /nfs/dbraw/zinc/18/91/38/145189138.db2.gz WKMLEHUKGYGDAJ-CYBMUJFWSA-N 1 0 315.373 2.833 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000072896941 145192116 /nfs/dbraw/zinc/19/21/16/145192116.db2.gz SERXLNWZNRTMSB-AAEUAGOBSA-N 1 0 305.378 2.962 20 5 DFBDRO O=C(Nc1cccc2c1C[NH2+]CC2)c1ccc([N+](=O)[O-])s1 ZINC000167387826 145240082 /nfs/dbraw/zinc/24/00/82/145240082.db2.gz BMPYEAHRNOAFIS-UHFFFAOYSA-N 1 0 303.343 2.554 20 5 DFBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000172858319 145321496 /nfs/dbraw/zinc/32/14/96/145321496.db2.gz VCSKNIATIRKVHT-QWHCGFSZSA-N 1 0 317.389 2.604 20 5 DFBDRO CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173395391 145342047 /nfs/dbraw/zinc/34/20/47/145342047.db2.gz HQDRUOZMPBNSRS-GFCCVEGCSA-N 1 0 305.378 2.504 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)c1ccsc1 ZINC000349571633 285889788 /nfs/dbraw/zinc/88/97/88/285889788.db2.gz WKSBBQSGLZGAKZ-KQIUPUNMSA-N 1 0 304.371 2.993 20 5 DFBDRO Cc1cc(NCC[C@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235489142 146019405 /nfs/dbraw/zinc/01/94/05/146019405.db2.gz SBECVQALBLQYCD-QMMMGPOBSA-N 1 0 302.172 2.815 20 5 DFBDRO Cc1cc(NCC[C@@H](C)[NH3+])c(Br)cc1[N+](=O)[O-] ZINC000235156159 146019728 /nfs/dbraw/zinc/01/97/28/146019728.db2.gz SBECVQALBLQYCD-MRVPVSSYSA-N 1 0 302.172 2.815 20 5 DFBDRO Cc1cccc(C(=O)NCC2([NH3+])CCCCCC2)c1[N+](=O)[O-] ZINC000237604186 146048074 /nfs/dbraw/zinc/04/80/74/146048074.db2.gz USXJRGNWYIRXIS-UHFFFAOYSA-N 1 0 305.378 2.685 20 5 DFBDRO Cc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000237743464 146051157 /nfs/dbraw/zinc/05/11/57/146051157.db2.gz IBGDVPNSGCZLRY-MRXNPFEDSA-N 1 0 300.358 2.596 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC2(O)CCC2)o1 ZINC000238144851 146059217 /nfs/dbraw/zinc/05/92/17/146059217.db2.gz PAQYULPULBMGJS-UHFFFAOYSA-N 1 0 302.330 2.859 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427699 146069490 /nfs/dbraw/zinc/06/94/90/146069490.db2.gz MCFIHFFWUABDSY-BBRMVZONSA-N 1 0 321.421 2.766 20 5 DFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245534662 146080657 /nfs/dbraw/zinc/08/06/57/146080657.db2.gz WEEVFMMIGDYVDV-WBMJQRKESA-N 1 0 306.362 2.849 20 5 DFBDRO O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000261642199 146252566 /nfs/dbraw/zinc/25/25/66/146252566.db2.gz DXQIGFHSHPOBON-UHFFFAOYSA-N 1 0 318.377 2.592 20 5 DFBDRO C[NH2+][C@H](C)Cc1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000261770798 146273518 /nfs/dbraw/zinc/27/35/18/146273518.db2.gz NBVCFMQSKBYKFK-NXEZZACHSA-N 1 0 322.390 2.982 20 5 DFBDRO C[C@H]([NH3+])C1CCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000262005829 146320487 /nfs/dbraw/zinc/32/04/87/146320487.db2.gz VUYYRZRFHJUZDS-NSHDSACASA-N 1 0 300.362 2.707 20 5 DFBDRO C[NH2+]CC1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1 ZINC000262026423 146323835 /nfs/dbraw/zinc/32/38/35/146323835.db2.gz YIHMYGBMCQINIH-UHFFFAOYSA-N 1 0 300.362 2.579 20 5 DFBDRO C[C@]1(CNc2ccc([N+](=O)[O-])c3cnccc23)CCC[NH2+]C1 ZINC000262376742 146354856 /nfs/dbraw/zinc/35/48/56/146354856.db2.gz YDZXRLHRDYNABI-INIZCTEOSA-N 1 0 300.362 2.945 20 5 DFBDRO [NH3+]C[C@@H](Nc1ncnc2sc([N+](=O)[O-])cc21)C1CCCCC1 ZINC000262448581 146360520 /nfs/dbraw/zinc/36/05/20/146360520.db2.gz HNZMLTNHROAWBW-LLVKDONJSA-N 1 0 321.406 2.919 20 5 DFBDRO C[C@H](CC(=O)N1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000262618355 146377794 /nfs/dbraw/zinc/37/77/94/146377794.db2.gz FAOHGJYWGPZONC-OLZOCXBDSA-N 1 0 317.389 2.510 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@@H]1C ZINC000354383660 147017126 /nfs/dbraw/zinc/01/71/26/147017126.db2.gz AXSKLBWAYJZWSE-DZGCQCFKSA-N 1 0 319.405 2.848 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)C[C@H]1C ZINC000354383664 147017193 /nfs/dbraw/zinc/01/71/93/147017193.db2.gz AXSKLBWAYJZWSE-HIFRSBDPSA-N 1 0 319.405 2.848 20 5 DFBDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](Nc2ncc([N+](=O)[O-])cn2)C1 ZINC000354508429 147062210 /nfs/dbraw/zinc/06/22/10/147062210.db2.gz NLCQFKJSHGVBGV-TZMCWYRMSA-N 1 0 313.361 2.632 20 5 DFBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OCC(=O)OC)c([N+](=O)[O-])c1 ZINC000355597897 147378398 /nfs/dbraw/zinc/37/83/98/147378398.db2.gz LENHFAQBWANHGS-GFCCVEGCSA-N 1 0 324.377 2.767 20 5 DFBDRO CSC1(CNc2nc(C)cc(C)c2[N+](=O)[O-])CC[NH+](C)CC1 ZINC000357571558 148042714 /nfs/dbraw/zinc/04/27/14/148042714.db2.gz SEWKOQHJGGSTGP-UHFFFAOYSA-N 1 0 324.450 2.846 20 5 DFBDRO CSC1(CNc2cc(C)c([N+](=O)[O-])cn2)CC[NH+](C)CC1 ZINC000357572360 148043163 /nfs/dbraw/zinc/04/31/63/148043163.db2.gz UKPDYQKWARQAGI-UHFFFAOYSA-N 1 0 310.423 2.538 20 5 DFBDRO Cn1cncc1CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000357592132 148050032 /nfs/dbraw/zinc/05/00/32/148050032.db2.gz GIOALJDOJSBHDW-UHFFFAOYSA-N 1 0 300.240 2.959 20 5 DFBDRO COc1ccc(CNc2cc[nH+]c(C)c2Cl)cc1[N+](=O)[O-] ZINC000350255716 286022027 /nfs/dbraw/zinc/02/20/27/286022027.db2.gz STKNVYRVYCTHRE-UHFFFAOYSA-N 1 0 307.737 2.994 20 5 DFBDRO C[C@H](C[C@H](C)O)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000361026028 149011651 /nfs/dbraw/zinc/01/16/51/149011651.db2.gz GZEKWIYGIMGHRR-MNOVXSKESA-N 1 0 321.402 2.967 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C[NH+](C)C)ccn2)c1 ZINC000361058587 149019355 /nfs/dbraw/zinc/01/93/55/149019355.db2.gz JIPGGEUQOAPBDM-UHFFFAOYSA-N 1 0 314.345 2.612 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000361134131 149036216 /nfs/dbraw/zinc/03/62/16/149036216.db2.gz CMLXTJNHQACALL-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO Cc1c([C@@H](C)[NH2+]CCCN2CCCCC2=O)cccc1[N+](=O)[O-] ZINC000361218539 149057089 /nfs/dbraw/zinc/05/70/89/149057089.db2.gz ZSAVZPSJZWKBTB-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO CC[N@H+](CC1CCC1)[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000361482013 149126597 /nfs/dbraw/zinc/12/65/97/149126597.db2.gz SYMFCKGAGHUKND-MRXNPFEDSA-N 1 0 317.389 2.822 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000361652148 149180268 /nfs/dbraw/zinc/18/02/68/149180268.db2.gz HUIUKXXQKFUYER-UONOGXRCSA-N 1 0 318.377 2.652 20 5 DFBDRO C[C@@](CO)(C[NH2+]Cc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000361731674 149203894 /nfs/dbraw/zinc/20/38/94/149203894.db2.gz HGJHATFXGSIFBU-SFHVURJKSA-N 1 0 314.385 2.926 20 5 DFBDRO CCO[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362029616 149279173 /nfs/dbraw/zinc/27/91/73/149279173.db2.gz ULHBEQHNRGQFCQ-TZMCWYRMSA-N 1 0 314.769 2.532 20 5 DFBDRO CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000362029613 149279220 /nfs/dbraw/zinc/27/92/20/149279220.db2.gz ULHBEQHNRGQFCQ-GXTWGEPZSA-N 1 0 314.769 2.532 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCO[C@H](COCC2CC2)C1 ZINC000362590049 149316795 /nfs/dbraw/zinc/31/67/95/149316795.db2.gz IPHOXVWABXBFDH-DYVFJYSZSA-N 1 0 320.389 2.783 20 5 DFBDRO COc1ccc(CNc2nc3cc(F)ccc3[nH]2)cc1[N+](=O)[O-] ZINC000362640372 149330676 /nfs/dbraw/zinc/33/06/76/149330676.db2.gz AXFJNYSBYCGKDS-UHFFFAOYSA-N 1 0 316.292 2.653 20 5 DFBDRO CCc1cnccc1NC(=O)c1cccc(SC)c1[N+](=O)[O-] ZINC000362759560 149359812 /nfs/dbraw/zinc/35/98/12/149359812.db2.gz MIHYYWNLTCULJS-UHFFFAOYSA-N 1 0 317.370 2.948 20 5 DFBDRO Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]CCC[C@H]32)cc1[N+](=O)[O-] ZINC000366835009 149501010 /nfs/dbraw/zinc/50/10/10/149501010.db2.gz AWGUJAWUCKNUQY-LSDHHAIUSA-N 1 0 317.389 2.507 20 5 DFBDRO COC[C@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000368764071 149695579 /nfs/dbraw/zinc/69/55/79/149695579.db2.gz YADOOWYDNWHGIL-AWEZNQCLSA-N 1 0 308.378 2.722 20 5 DFBDRO COc1ccc(C[N@@H+]2CCCC23CCOCC3)cc1[N+](=O)[O-] ZINC000371337867 150027274 /nfs/dbraw/zinc/02/72/74/150027274.db2.gz ZQSQHAZGWGQXRR-UHFFFAOYSA-N 1 0 306.362 2.748 20 5 DFBDRO CN1Cc2ccccc2[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000371368137 150031814 /nfs/dbraw/zinc/03/18/14/150031814.db2.gz CODWSJKTEICASE-MRXNPFEDSA-N 1 0 311.341 2.511 20 5 DFBDRO CO[C@@H](C)C[N@H+]1CC=C(c2cc(C)c(N)c([N+](=O)[O-])c2)CC1 ZINC000371699558 150082582 /nfs/dbraw/zinc/08/25/82/150082582.db2.gz HXMPLZABOIKELG-LBPRGKRZSA-N 1 0 305.378 2.609 20 5 DFBDRO Cc1ccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)cc1 ZINC000371749069 150089870 /nfs/dbraw/zinc/08/98/70/150089870.db2.gz XVNHBTFXKZMVBI-HNNXBMFYSA-N 1 0 300.362 2.589 20 5 DFBDRO CC(C)OC[C@@H]1CN([C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000372166617 150144010 /nfs/dbraw/zinc/14/40/10/150144010.db2.gz JLXYPDORWBGRQG-CJNGLKHVSA-N 1 0 308.378 2.782 20 5 DFBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H](OCC3CC3)C2)c1 ZINC000372356268 150166232 /nfs/dbraw/zinc/16/62/32/150166232.db2.gz IGRGYMVKPAYNKZ-DLBZAZTESA-N 1 0 320.389 2.519 20 5 DFBDRO Cc1ncccc1O[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000372813241 150188658 /nfs/dbraw/zinc/18/86/58/150188658.db2.gz FEPCIGWDBLFFEW-INIZCTEOSA-N 1 0 313.357 2.952 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000351612798 286169761 /nfs/dbraw/zinc/16/97/61/286169761.db2.gz YBENYSXXZLEGJX-UHFFFAOYSA-N 1 0 312.345 2.538 20 5 DFBDRO COc1cc(C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351632277 286176055 /nfs/dbraw/zinc/17/60/55/286176055.db2.gz WZIRLXULXBGZMV-GXTWGEPZSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000374054204 150299053 /nfs/dbraw/zinc/29/90/53/150299053.db2.gz NGXDXMGRCNVZRT-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCn3ccnc32)c([N+](=O)[O-])c1 ZINC000374417594 150363370 /nfs/dbraw/zinc/36/33/70/150363370.db2.gz COXCBYOWUOVLMR-JTQLQIEISA-N 1 0 317.305 2.689 20 5 DFBDRO CC1=C(c2ccco2)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000374532270 150374664 /nfs/dbraw/zinc/37/46/64/150374664.db2.gz VHVYVROUTZZVLV-UHFFFAOYSA-N 1 0 302.334 2.564 20 5 DFBDRO O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1csc([N+](=O)[O-])c1 ZINC000375066086 150395239 /nfs/dbraw/zinc/39/52/39/150395239.db2.gz SAIBKUJKVKIZHE-UHFFFAOYSA-N 1 0 321.333 2.693 20 5 DFBDRO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)[C@H]1CCCO1 ZINC000351728897 286204640 /nfs/dbraw/zinc/20/46/40/286204640.db2.gz IVMFZSBSZKLGGZ-UONOGXRCSA-N 1 0 300.305 2.920 20 5 DFBDRO O=[N+]([O-])c1cc(F)c(CN2CCC[C@H]3COCC[C@H]32)c(F)c1 ZINC000351881550 286236298 /nfs/dbraw/zinc/23/62/98/286236298.db2.gz NCYNECCJZIWCMB-ZUZCIYMTSA-N 1 0 312.316 2.874 20 5 DFBDRO CC1(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1[C@@H]1CCCO1 ZINC000351958040 286255552 /nfs/dbraw/zinc/25/55/52/286255552.db2.gz LYXFVSPNHAXUIK-HOTGVXAUSA-N 1 0 320.389 2.863 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427862213 296670596 /nfs/dbraw/zinc/67/05/96/296670596.db2.gz VLFOGKYEJTVRNF-UKRRQHHQSA-N 1 0 314.389 2.717 20 5 DFBDRO CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352278372 286334744 /nfs/dbraw/zinc/33/47/44/286334744.db2.gz LQTDZJOFIVBWPD-IUODEOHRSA-N 1 0 307.394 2.939 20 5 DFBDRO CC1(C)C[C@H]1CNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 ZINC000352291597 286337693 /nfs/dbraw/zinc/33/76/93/286337693.db2.gz YOCCYPBTHOEFOZ-LBPRGKRZSA-N 1 0 314.345 2.556 20 5 DFBDRO Cc1cc(N(C)CC[NH+](C)C)c(Br)cc1[N+](=O)[O-] ZINC000352360368 286353286 /nfs/dbraw/zinc/35/32/86/286353286.db2.gz MSZVCXNWJJXSMM-UHFFFAOYSA-N 1 0 316.199 2.664 20 5 DFBDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352407829 286365947 /nfs/dbraw/zinc/36/59/47/286365947.db2.gz SBZBREWNGQNYJK-ZIAGYGMSSA-N 1 0 300.305 2.514 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000352793877 286469743 /nfs/dbraw/zinc/46/97/43/286469743.db2.gz QLVQDENVWUSMCU-SMDDNHRTSA-N 1 0 323.418 2.573 20 5 DFBDRO COc1cc(C[NH2+][C@H]2CSC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000352794312 286469812 /nfs/dbraw/zinc/46/98/12/286469812.db2.gz RIEOLYMHHUCVFA-KCJUWKMLSA-N 1 0 300.355 2.584 20 5 DFBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O ZINC000246971860 158110555 /nfs/dbraw/zinc/11/05/55/158110555.db2.gz JEKKJMFXTIDGEP-WQVCFCJDSA-N 1 0 317.389 2.868 20 5 DFBDRO C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C[C@H](C)O ZINC000247989579 158154370 /nfs/dbraw/zinc/15/43/70/158154370.db2.gz JFLQPWJBEPYNFV-DVOMOZLQSA-N 1 0 306.406 2.913 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247998285 158156288 /nfs/dbraw/zinc/15/62/88/158156288.db2.gz KCOLMTCCXLFQSB-CZUORRHYSA-N 1 0 319.405 2.520 20 5 DFBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c([N+](=O)[O-])c1 ZINC000248747803 158200697 /nfs/dbraw/zinc/20/06/97/158200697.db2.gz BIFZJEJWRXAFJC-WFASDCNBSA-N 1 0 321.333 2.504 20 5 DFBDRO CC[N@H+](CCC1CC1)CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000355038870 158258099 /nfs/dbraw/zinc/25/80/99/158258099.db2.gz NEPIFNCGETUFHQ-UHFFFAOYSA-N 1 0 317.389 2.606 20 5 DFBDRO Cc1cccc(C)c1[C@H](C)[NH2+]CCn1cc([N+](=O)[O-])ccc1=O ZINC000355038600 158258501 /nfs/dbraw/zinc/25/85/01/158258501.db2.gz RFMVWYJZAYWXOY-AWEZNQCLSA-N 1 0 315.373 2.724 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C1CCC1 ZINC000357047425 158356629 /nfs/dbraw/zinc/35/66/29/158356629.db2.gz WAAQIUPXTXCRBA-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO C[C@@H](CNC(=O)Cc1cccc([N+](=O)[O-])c1)[N@@H+]1CCCC[C@@H]1C ZINC000358392715 158376446 /nfs/dbraw/zinc/37/64/46/158376446.db2.gz XPQKOXOMNQKGLT-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO CC1CCC([NH+]2CCC(Nc3ncc([N+](=O)[O-])cn3)CC2)CC1 ZINC000368180265 158613243 /nfs/dbraw/zinc/61/32/43/158613243.db2.gz NGGSMLHLMMITBK-UHFFFAOYSA-N 1 0 319.409 2.840 20 5 DFBDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000053250283 425887223 /nfs/dbraw/zinc/88/72/23/425887223.db2.gz LRHTZKQUHKJUQV-UHFFFAOYSA-N 1 0 306.366 2.589 20 5 DFBDRO CC(C)C[NH+]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])CC1 ZINC000432333071 296872217 /nfs/dbraw/zinc/87/22/17/296872217.db2.gz FUXRTFMVEYQKSH-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO C[NH2+]C[C@H](C)CNc1ccc([N+](=O)[O-])cc1Br ZINC000129568513 196057974 /nfs/dbraw/zinc/05/79/74/196057974.db2.gz SIPHIDMKTKAYJE-QMMMGPOBSA-N 1 0 302.172 2.625 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000129666654 196065772 /nfs/dbraw/zinc/06/57/72/196065772.db2.gz TXZKCDPROKWDPU-UHFFFAOYSA-N 1 0 319.405 2.753 20 5 DFBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000132309720 196244589 /nfs/dbraw/zinc/24/45/89/196244589.db2.gz MWKWMYADCCBWIC-UHFFFAOYSA-N 1 0 301.346 2.891 20 5 DFBDRO CSC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000433065944 296897482 /nfs/dbraw/zinc/89/74/82/296897482.db2.gz FLWJJHJXLADIQA-RYUDHWBXSA-N 1 0 310.423 2.760 20 5 DFBDRO CC1(C)C[C@H]([NH2+]C[C@H](O)C(F)F)c2cc([N+](=O)[O-])ccc21 ZINC000433283426 296904382 /nfs/dbraw/zinc/90/43/82/296904382.db2.gz OMEOHFOZXPQDBZ-RYUDHWBXSA-N 1 0 300.305 2.533 20 5 DFBDRO C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000054779409 425891323 /nfs/dbraw/zinc/89/13/23/425891323.db2.gz CUOACFFTVDJHKV-RYUDHWBXSA-N 1 0 323.368 2.584 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000296688090 226127300 /nfs/dbraw/zinc/12/73/00/226127300.db2.gz LVBQWQCQWXFHNM-CQSZACIVSA-N 1 0 314.341 2.956 20 5 DFBDRO C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000296761178 226205800 /nfs/dbraw/zinc/20/58/00/226205800.db2.gz QPLFTJFZLOMGBZ-ZDUSSCGKSA-N 1 0 305.378 2.504 20 5 DFBDRO Cn1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C(F)F)n1 ZINC000291109739 222144595 /nfs/dbraw/zinc/14/45/95/222144595.db2.gz BVXMYLSOSLXFBO-UHFFFAOYSA-N 1 0 310.304 2.598 20 5 DFBDRO C[C@H](CNC(=O)c1csc([N+](=O)[O-])c1)[NH+]1CCC(C)CC1 ZINC000299359429 229072336 /nfs/dbraw/zinc/07/23/36/229072336.db2.gz OKYNFRPDSMRYBT-LLVKDONJSA-N 1 0 311.407 2.507 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000299635455 229285595 /nfs/dbraw/zinc/28/55/95/229285595.db2.gz MJTRWEWSMJUVDO-CYBMUJFWSA-N 1 0 305.378 2.507 20 5 DFBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@H]1[NH+](C)C ZINC000301603661 229771036 /nfs/dbraw/zinc/77/10/36/229771036.db2.gz LFVRFHCRPJMFBN-NOZJJQNGSA-N 1 0 317.311 3.000 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)cc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000302038751 230055924 /nfs/dbraw/zinc/05/59/24/230055924.db2.gz MYBHQFHPEUNMQM-OAHLLOKOSA-N 1 0 319.405 2.764 20 5 DFBDRO C[C@H](CNc1cc(CO)ccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000302073071 230080140 /nfs/dbraw/zinc/08/01/40/230080140.db2.gz WONMNNXZCJDILH-CHWSQXEVSA-N 1 0 307.394 2.619 20 5 DFBDRO Cc1cc(N(C)Cc2cnccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302177694 230144026 /nfs/dbraw/zinc/14/40/26/230144026.db2.gz NFEKFPVHEXNHNG-UHFFFAOYSA-N 1 0 309.329 2.878 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000066536558 425904528 /nfs/dbraw/zinc/90/45/28/425904528.db2.gz SBCATYDRIHPARN-OAHLLOKOSA-N 1 0 319.405 2.664 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000066535533 425904718 /nfs/dbraw/zinc/90/47/18/425904718.db2.gz HIPPRUJOSRQCDA-MRXNPFEDSA-N 1 0 319.405 2.534 20 5 DFBDRO CC(=O)NC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000067416038 425910509 /nfs/dbraw/zinc/91/05/09/425910509.db2.gz MEMGCAKPSGRHBF-TZMCWYRMSA-N 1 0 305.378 2.504 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCCCCC1 ZINC000026155960 267387564 /nfs/dbraw/zinc/38/75/64/267387564.db2.gz ITUVRXKUVUEUMN-UHFFFAOYSA-N 1 0 321.377 2.808 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000173068436 267560606 /nfs/dbraw/zinc/56/06/06/267560606.db2.gz FBLXNSITGKYUAB-UHFFFAOYSA-N 1 0 305.378 2.509 20 5 DFBDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000008062788 425658961 /nfs/dbraw/zinc/65/89/61/425658961.db2.gz JIKHYQCZANPWDE-UHFFFAOYSA-N 1 0 313.357 2.586 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649005 425848888 /nfs/dbraw/zinc/84/88/88/425848888.db2.gz RKWPCQMNWOVIKN-NSHDSACASA-N 1 0 309.797 2.822 20 5 DFBDRO CC(C)C[C@](C)(C[NH3+])NC(=O)/C=C/c1ccc(F)cc1[N+](=O)[O-] ZINC000236702445 268149316 /nfs/dbraw/zinc/14/93/16/268149316.db2.gz MFSFRPNYDSWBFH-BIENSFFJSA-N 1 0 323.368 2.627 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000268146880 268182942 /nfs/dbraw/zinc/18/29/42/268182942.db2.gz GHOUKGJQSPBVPV-CQSZACIVSA-N 1 0 319.405 2.611 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000268883552 268186341 /nfs/dbraw/zinc/18/63/41/268186341.db2.gz FUSLAIXTUUVMCK-DNOWBOINSA-N 1 0 319.405 2.859 20 5 DFBDRO CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C[C@@H]1O ZINC000270861848 268227593 /nfs/dbraw/zinc/22/75/93/268227593.db2.gz IFURDXLXIJWDGS-DOMZBBRYSA-N 1 0 308.378 2.585 20 5 DFBDRO CCC[C@H](C(=O)NCc1cc([N+](=O)[O-])ccc1Cl)[NH+](C)C ZINC000270920884 268235652 /nfs/dbraw/zinc/23/56/52/268235652.db2.gz RTKABTBFRVNTMH-CYBMUJFWSA-N 1 0 313.785 2.595 20 5 DFBDRO Cc1cc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000270965768 268241794 /nfs/dbraw/zinc/24/17/94/268241794.db2.gz HIVPSADRMMGOOT-CYBMUJFWSA-N 1 0 319.405 2.706 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] ZINC000271447287 268249532 /nfs/dbraw/zinc/24/95/32/268249532.db2.gz CJCHSMZHKXFNKQ-NWDGAFQWSA-N 1 0 321.377 2.805 20 5 DFBDRO C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000273513572 268254737 /nfs/dbraw/zinc/25/47/37/268254737.db2.gz XHCCJLQUPGSJHN-LLVKDONJSA-N 1 0 324.356 2.587 20 5 DFBDRO C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000309721281 268335903 /nfs/dbraw/zinc/33/59/03/268335903.db2.gz MIJOCNJWNKYFBW-VXGBXAGGSA-N 1 0 323.393 2.986 20 5 DFBDRO C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000049844114 425880273 /nfs/dbraw/zinc/88/02/73/425880273.db2.gz HZGDAPHECRDVRS-SECBINFHSA-N 1 0 314.183 2.721 20 5 DFBDRO CCC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000125653181 425984997 /nfs/dbraw/zinc/98/49/97/425984997.db2.gz PHIXFEQWHFMJNM-IRXDYDNUSA-N 1 0 322.405 2.815 20 5 DFBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000125178989 425957444 /nfs/dbraw/zinc/95/74/44/425957444.db2.gz DZMMBPBCNIMVDC-NEPJUHHUSA-N 1 0 305.378 2.704 20 5 DFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000070149193 425967822 /nfs/dbraw/zinc/96/78/22/425967822.db2.gz DVWZFMWHAGVKGK-LLVKDONJSA-N 1 0 311.769 2.592 20 5 DFBDRO CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105433809 425968378 /nfs/dbraw/zinc/96/83/78/425968378.db2.gz KKOHMKPIZZEZOW-UHFFFAOYSA-N 1 0 309.366 2.599 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000126496493 426023020 /nfs/dbraw/zinc/02/30/20/426023020.db2.gz PCFQLELGLVLWES-TZMCWYRMSA-N 1 0 305.378 2.565 20 5 DFBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(n3cccn3)CC2)cc1 ZINC000109007372 426026996 /nfs/dbraw/zinc/02/69/96/426026996.db2.gz INRIZNBLKVJUJE-UHFFFAOYSA-N 1 0 316.361 2.507 20 5 DFBDRO CC(C)[NH+](CCCNC(=O)c1csc([N+](=O)[O-])c1)C(C)C ZINC000074330844 426046517 /nfs/dbraw/zinc/04/65/17/426046517.db2.gz RSIDNAWACKQVNP-UHFFFAOYSA-N 1 0 313.423 2.895 20 5 DFBDRO C[C@@H](CNC(=O)c1cc(F)ccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000126170803 426008856 /nfs/dbraw/zinc/00/88/56/426008856.db2.gz QARZGLRQBFDVPK-LBPRGKRZSA-N 1 0 323.368 2.586 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1CCC([NH2+]C(C)C)CC1 ZINC000108369721 426014407 /nfs/dbraw/zinc/01/44/07/426014407.db2.gz HWQWNAULRSMLSH-UHFFFAOYSA-N 1 0 307.394 2.566 20 5 DFBDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000072492476 426017445 /nfs/dbraw/zinc/01/74/45/426017445.db2.gz SNFDUKMRHWQDDN-AWEZNQCLSA-N 1 0 319.405 2.926 20 5 DFBDRO CN(CCOc1ccc([N+](=O)[O-])cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860143 426088155 /nfs/dbraw/zinc/08/81/55/426088155.db2.gz VUAZYUOJRYGYNJ-OAHLLOKOSA-N 1 0 321.421 2.780 20 5 DFBDRO C[NH+](C)C(C)(C)CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000075986370 426092537 /nfs/dbraw/zinc/09/25/37/426092537.db2.gz SASBDJOLDZOVTK-UHFFFAOYSA-N 1 0 314.773 2.710 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076004863 426093848 /nfs/dbraw/zinc/09/38/48/426093848.db2.gz IOQZYBJPFDVDJO-HNNXBMFYSA-N 1 0 321.421 2.767 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000163513575 426102395 /nfs/dbraw/zinc/10/23/95/426102395.db2.gz XJQLMWJZKWCZSZ-CQSZACIVSA-N 1 0 319.405 2.956 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCN1CCCCC1)C1CC1 ZINC000128219166 426106785 /nfs/dbraw/zinc/10/67/85/426106785.db2.gz UYXYGGUZTZAYKQ-KRWDZBQOSA-N 1 0 317.433 2.991 20 5 DFBDRO COC[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113310987 426112063 /nfs/dbraw/zinc/11/20/63/426112063.db2.gz HUXZUPXTOSBNLQ-JTQLQIEISA-N 1 0 307.375 2.843 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000113445053 426114354 /nfs/dbraw/zinc/11/43/54/426114354.db2.gz XOWGTDXGWVXDMP-CMPLNLGQSA-N 1 0 323.780 2.557 20 5 DFBDRO Cc1c([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000166460271 426127000 /nfs/dbraw/zinc/12/70/00/426127000.db2.gz JPDDLEACCBFEHN-KWCYVHTRSA-N 1 0 308.378 2.748 20 5 DFBDRO COCCCN(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000166760188 426128854 /nfs/dbraw/zinc/12/88/54/426128854.db2.gz WONIAGREQCVFMA-CQSZACIVSA-N 1 0 309.410 2.522 20 5 DFBDRO COCCCN(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000166760288 426129095 /nfs/dbraw/zinc/12/90/95/426129095.db2.gz WONIAGREQCVFMA-AWEZNQCLSA-N 1 0 309.410 2.522 20 5 DFBDRO CC(C)[N@H+](CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077357445 426129544 /nfs/dbraw/zinc/12/95/44/426129544.db2.gz XTBHLMDSNHZZSF-UHFFFAOYSA-N 1 0 305.378 2.821 20 5 DFBDRO Cc1cc(N[C@@H](C)C[S@@](C)=O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000168071958 426134214 /nfs/dbraw/zinc/13/42/14/426134214.db2.gz TZUWZTLJWSSYPT-CWKPULSASA-N 1 0 307.375 2.630 20 5 DFBDRO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000168327238 426134750 /nfs/dbraw/zinc/13/47/50/426134750.db2.gz FIZWWSMZHHCVHZ-INIZCTEOSA-N 1 0 321.421 2.746 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCC[NH+]1CCCCC1 ZINC000127592784 426075158 /nfs/dbraw/zinc/07/51/58/426075158.db2.gz WVXHUKZKEQKLTC-UHFFFAOYSA-N 1 0 320.393 2.819 20 5 DFBDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)C1 ZINC000075538752 426077441 /nfs/dbraw/zinc/07/74/41/426077441.db2.gz FHIQXTVXINACKQ-CYBMUJFWSA-N 1 0 320.393 2.790 20 5 DFBDRO O=[N+]([O-])c1cc(Br)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000112635711 426085551 /nfs/dbraw/zinc/08/55/51/426085551.db2.gz DOBSHRBQWIMXRH-VIFPVBQESA-N 1 0 314.183 2.769 20 5 DFBDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000134944432 426201268 /nfs/dbraw/zinc/20/12/68/426201268.db2.gz XESWIEDZDWTJCG-GXFFZTMASA-N 1 0 323.780 2.557 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000338301137 268654351 /nfs/dbraw/zinc/65/43/51/268654351.db2.gz GHNGLOBFRUOTHQ-NXEZZACHSA-N 1 0 314.769 2.926 20 5 DFBDRO CCCNC(=O)C1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000078656254 426179316 /nfs/dbraw/zinc/17/93/16/426179316.db2.gz YJSMFAAQXYTVDQ-UHFFFAOYSA-N 1 0 319.405 2.914 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](Cc3ccc(Cl)cc3[N+](=O)[O-])C2)cn1 ZINC000116311648 426186614 /nfs/dbraw/zinc/18/66/14/426186614.db2.gz AALXCMWPHQIQCT-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO Cc1c(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000079635755 426199853 /nfs/dbraw/zinc/19/98/53/426199853.db2.gz ZWDUQWCUUVMYHG-LBPRGKRZSA-N 1 0 320.393 2.757 20 5 DFBDRO Cc1c(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cccc1[N+](=O)[O-] ZINC000118792985 426245754 /nfs/dbraw/zinc/24/57/54/426245754.db2.gz DWXSWUGXLUDDTF-CYBMUJFWSA-N 1 0 320.393 2.709 20 5 DFBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000117347554 426212695 /nfs/dbraw/zinc/21/26/95/426212695.db2.gz FNYABQNAYTYCKG-RDJZCZTQSA-N 1 0 322.405 2.845 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cs1 ZINC000151386107 426292964 /nfs/dbraw/zinc/29/29/64/426292964.db2.gz PAIRYPNKCFXJFE-AAEUAGOBSA-N 1 0 314.432 2.801 20 5 DFBDRO CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000175334935 426298434 /nfs/dbraw/zinc/29/84/34/426298434.db2.gz WWEGTSUCKIROSL-ZDUSSCGKSA-N 1 0 322.409 2.687 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)[C@H]2CCCO[C@@H]21 ZINC000151819822 426314215 /nfs/dbraw/zinc/31/42/15/426314215.db2.gz SXNGYRQJIXYKNX-OAGGEKHMSA-N 1 0 304.390 2.931 20 5 DFBDRO CC(C)CCOCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000088523125 426276330 /nfs/dbraw/zinc/27/63/30/426276330.db2.gz GDQNILNRKIPXSN-AWEZNQCLSA-N 1 0 322.409 2.539 20 5 DFBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc([N+](=O)[O-])cc1)C2 ZINC000175064003 426276545 /nfs/dbraw/zinc/27/65/45/426276545.db2.gz QQLWRJGNTFNOGI-GOEBONIOSA-N 1 0 317.389 2.682 20 5 DFBDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000175162156 426283701 /nfs/dbraw/zinc/28/37/01/426283701.db2.gz GGFABZMVMBWRTG-JSGCOSHPSA-N 1 0 306.366 2.589 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000152683422 426350462 /nfs/dbraw/zinc/35/04/62/426350462.db2.gz SHLXEBGCGMSHNG-DKISHCGFSA-N 1 0 312.369 2.801 20 5 DFBDRO CCN(CC)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152772057 426352999 /nfs/dbraw/zinc/35/29/99/426352999.db2.gz CHSFKMZSGNBTNL-MRXNPFEDSA-N 1 0 305.422 2.847 20 5 DFBDRO Cc1c(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000152803081 426355426 /nfs/dbraw/zinc/35/54/26/426355426.db2.gz JJBNPVRAJMUYLJ-OKILXGFUSA-N 1 0 317.389 2.964 20 5 DFBDRO COc1ccccc1[C@H]1CCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176228241 426362375 /nfs/dbraw/zinc/36/23/75/426362375.db2.gz QHNFLCYXULOSAH-CQSZACIVSA-N 1 0 316.361 2.637 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000176248784 426363578 /nfs/dbraw/zinc/36/35/78/426363578.db2.gz WHOZUNQGMGOKQG-AWEZNQCLSA-N 1 0 320.393 2.851 20 5 DFBDRO C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176249878 426364520 /nfs/dbraw/zinc/36/45/20/426364520.db2.gz MSCNMZOUWRECNT-JSGCOSHPSA-N 1 0 318.352 2.808 20 5 DFBDRO CC[N@H+](CC(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000153380876 426383006 /nfs/dbraw/zinc/38/30/06/426383006.db2.gz RPOJFPCQRHVGLV-GFCCVEGCSA-N 1 0 305.378 2.565 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000122594883 426384342 /nfs/dbraw/zinc/38/43/42/426384342.db2.gz ISPDZGGQDJAQTD-CZUORRHYSA-N 1 0 319.405 2.706 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000122611054 426384977 /nfs/dbraw/zinc/38/49/77/426384977.db2.gz YFXCLFNPEZOGFE-VXGBXAGGSA-N 1 0 311.769 2.523 20 5 DFBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1 ZINC000153862184 426410757 /nfs/dbraw/zinc/41/07/57/426410757.db2.gz MUFBHORROXOTES-NSHDSACASA-N 1 0 312.801 2.811 20 5 DFBDRO Cc1cc(C(=O)N(CC[NH+](C)C)CC(C)C)cc([N+](=O)[O-])c1 ZINC000123177778 426418648 /nfs/dbraw/zinc/41/86/48/426418648.db2.gz MTAYERYVVPAAEH-UHFFFAOYSA-N 1 0 307.394 2.563 20 5 DFBDRO CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 ZINC000176963528 426428684 /nfs/dbraw/zinc/42/86/84/426428684.db2.gz QDEWSUZXESLAGF-ZNFPLGDCSA-N 1 0 317.389 2.551 20 5 DFBDRO CC[N@@H+]1CCC[C@H]1CN(C)C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000176994846 426432001 /nfs/dbraw/zinc/43/20/01/426432001.db2.gz TVPQRPKPTHDIPO-NKSUMMKUSA-N 1 0 317.389 2.551 20 5 DFBDRO COC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177073111 426441182 /nfs/dbraw/zinc/44/11/82/426441182.db2.gz NEQZTRXOHGWMBA-NSHDSACASA-N 1 0 305.334 2.594 20 5 DFBDRO Cc1cccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1[N+](=O)[O-] ZINC000341063220 269036987 /nfs/dbraw/zinc/03/69/87/269036987.db2.gz DXRRAWQVVROMHL-ZIAGYGMSSA-N 1 0 319.405 2.896 20 5 DFBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Cc1ccccc1[N+](=O)[O-] ZINC000341065443 269037515 /nfs/dbraw/zinc/03/75/15/269037515.db2.gz VCBIPGSDEDDIQN-KBPBESRZSA-N 1 0 319.405 2.516 20 5 DFBDRO O=[N+]([O-])c1cccc(F)c1CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341150289 269047403 /nfs/dbraw/zinc/04/74/03/269047403.db2.gz RAILQPYEVBFYQU-CYBMUJFWSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000177218674 426455617 /nfs/dbraw/zinc/45/56/17/426455617.db2.gz AFYQCDMAAPTDHR-GFCCVEGCSA-N 1 0 305.378 2.962 20 5 DFBDRO CCn1c(C)nc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+](C)C ZINC000288131927 426510153 /nfs/dbraw/zinc/51/01/53/426510153.db2.gz MNMHCGQSBIQJQE-LLVKDONJSA-N 1 0 323.422 2.896 20 5 DFBDRO CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000186450823 426528578 /nfs/dbraw/zinc/52/85/78/426528578.db2.gz MGSNOVAEOVFOLA-GXTWGEPZSA-N 1 0 321.377 2.785 20 5 DFBDRO CCOC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000186444904 426529720 /nfs/dbraw/zinc/52/97/20/426529720.db2.gz KVMBNIUYSACOIN-DZGCQCFKSA-N 1 0 321.377 2.866 20 5 DFBDRO Cc1ccc([C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c(C)c1 ZINC000280256321 426531106 /nfs/dbraw/zinc/53/11/06/426531106.db2.gz CELYVZKWPBCKET-OAHLLOKOSA-N 1 0 314.389 2.898 20 5 DFBDRO O=C(c1cc(Cl)cc([N+](=O)[O-])c1)N(C[C@H]1CCC[NH2+]1)C1CC1 ZINC000186503985 426541448 /nfs/dbraw/zinc/54/14/48/426541448.db2.gz CNJWVNWFPNQCFD-GFCCVEGCSA-N 1 0 323.780 2.605 20 5 DFBDRO C[C@H](CC(=O)N(C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000177976972 426549441 /nfs/dbraw/zinc/54/94/41/426549441.db2.gz QPTOJABHAVRAHP-ZIAGYGMSSA-N 1 0 319.405 2.579 20 5 DFBDRO C[C@@H]1CN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)[C@@H](C)C[NH2+]1 ZINC000272539746 426551260 /nfs/dbraw/zinc/55/12/60/426551260.db2.gz JLXAACCJVFEKMM-NEPJUHHUSA-N 1 0 319.405 2.715 20 5 DFBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000177531590 426493557 /nfs/dbraw/zinc/49/35/57/426493557.db2.gz ARJUMKFWTNGBDW-DZGCQCFKSA-N 1 0 300.362 2.669 20 5 DFBDRO Cc1cc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000177597607 426498311 /nfs/dbraw/zinc/49/83/11/426498311.db2.gz IOWHJRZQWSILDQ-KGLIPLIRSA-N 1 0 305.378 2.506 20 5 DFBDRO Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1[N+](=O)[O-] ZINC000177591902 426498320 /nfs/dbraw/zinc/49/83/20/426498320.db2.gz KLLIYOSCEFMGEJ-KBPBESRZSA-N 1 0 305.378 2.506 20 5 DFBDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000186268284 426498484 /nfs/dbraw/zinc/49/84/84/426498484.db2.gz IYTSCQCARWNFKF-CYBMUJFWSA-N 1 0 305.378 2.589 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(Cn2cncn2)CC1 ZINC000186271218 426499440 /nfs/dbraw/zinc/49/94/40/426499440.db2.gz SVCDKHOXWMATBI-CYBMUJFWSA-N 1 0 315.377 2.660 20 5 DFBDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000186314571 426505077 /nfs/dbraw/zinc/50/50/77/426505077.db2.gz FDGIULNUOVZFBK-AWEZNQCLSA-N 1 0 319.405 2.518 20 5 DFBDRO Cc1cc(N2CCC(CO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272819405 426571411 /nfs/dbraw/zinc/57/14/11/426571411.db2.gz ISASCODANBDSSS-UHFFFAOYSA-N 1 0 301.346 2.660 20 5 DFBDRO COCCOCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000289115521 426585913 /nfs/dbraw/zinc/58/59/13/426585913.db2.gz QKFPPFQUQGICJE-UHFFFAOYSA-N 1 0 319.361 2.551 20 5 DFBDRO C[C@@H]1CCC[C@H](C)C1[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000178206619 426586585 /nfs/dbraw/zinc/58/65/85/426586585.db2.gz RXWPQRZLLVPYFT-HBBFGDNQSA-N 1 0 305.378 2.948 20 5 DFBDRO Cc1cccc([C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1 ZINC000273071499 426587417 /nfs/dbraw/zinc/58/74/17/426587417.db2.gz JLACMMVKYLHXND-HNNXBMFYSA-N 1 0 300.362 2.589 20 5 DFBDRO C[C@@]1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000273120824 426597124 /nfs/dbraw/zinc/59/71/24/426597124.db2.gz ZKSMNROHPFUHHO-HZPDHXFCSA-N 1 0 306.362 2.521 20 5 DFBDRO COc1cc(CCNc2cc(C)cc[nH+]2)c([N+](=O)[O-])cc1OC ZINC000178040422 426560193 /nfs/dbraw/zinc/56/01/93/426560193.db2.gz DFOXRGBJMQIVCV-UHFFFAOYSA-N 1 0 317.345 2.970 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272579958 426564756 /nfs/dbraw/zinc/56/47/56/426564756.db2.gz TZLAFYYUZRIONR-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccccc1[N+](=O)[O-] ZINC000273299889 426637031 /nfs/dbraw/zinc/63/70/31/426637031.db2.gz GXSAVUGQIKFPLH-CZUORRHYSA-N 1 0 322.405 2.845 20 5 DFBDRO COC(=O)[C@@H](C)N(C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000280758887 426650311 /nfs/dbraw/zinc/65/03/11/426650311.db2.gz FGEGGEZKWJVOCP-LLVKDONJSA-N 1 0 318.329 2.848 20 5 DFBDRO CC(C)[N@H+](C)CCNc1c(Br)cncc1[N+](=O)[O-] ZINC000231629417 426650517 /nfs/dbraw/zinc/65/05/17/426650517.db2.gz FZQDDSBFERIRCN-UHFFFAOYSA-N 1 0 317.187 2.504 20 5 DFBDRO CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000273359939 426651096 /nfs/dbraw/zinc/65/10/96/426651096.db2.gz DYXYWSVGKBTKRG-HZMBPMFUSA-N 1 0 324.356 2.584 20 5 DFBDRO C[N@@H+]1CCC[C@H]1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-] ZINC000234315318 426655349 /nfs/dbraw/zinc/65/53/49/426655349.db2.gz DMJBDISTSKOEPD-QMMMGPOBSA-N 1 0 304.272 2.515 20 5 DFBDRO O=[N+]([O-])c1cnc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000280842696 426667627 /nfs/dbraw/zinc/66/76/27/426667627.db2.gz XLWVKXKFWOGFRD-ZDUSSCGKSA-N 1 0 305.382 2.594 20 5 DFBDRO CCCCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000178677580 426674875 /nfs/dbraw/zinc/67/48/75/426674875.db2.gz UAIHAJBPLANYGQ-IUODEOHRSA-N 1 0 307.394 2.940 20 5 DFBDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178727453 426682104 /nfs/dbraw/zinc/68/21/04/426682104.db2.gz RITDAXFSLGIKRH-ZDUSSCGKSA-N 1 0 322.409 2.637 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cncc(F)c1 ZINC000178730098 426685153 /nfs/dbraw/zinc/68/51/53/426685153.db2.gz UNVBKODUXFIOLM-JTQLQIEISA-N 1 0 305.309 2.988 20 5 DFBDRO CCC[NH2+]Cc1cc(I)cc([N+](=O)[O-])c1 ZINC000290084763 426690148 /nfs/dbraw/zinc/69/01/48/426690148.db2.gz ZFYIDSWWDQWQSN-UHFFFAOYSA-N 1 0 320.130 2.699 20 5 DFBDRO C[S@@](=O)C1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000280941195 426690928 /nfs/dbraw/zinc/69/09/28/426690928.db2.gz GHGTVMAONVPXIO-OYHNWAKOSA-N 1 0 322.430 2.863 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(CCO)CC2)cc1[N+](=O)[O-] ZINC000188061931 426719612 /nfs/dbraw/zinc/71/96/12/426719612.db2.gz MMBLUAJXYFEVFD-GFCCVEGCSA-N 1 0 308.378 2.807 20 5 DFBDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000179206590 426769432 /nfs/dbraw/zinc/76/94/32/426769432.db2.gz CHEDIBFWIZKMDS-NSHDSACASA-N 1 0 321.402 2.913 20 5 DFBDRO COc1ccc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1[N+](=O)[O-] ZINC000290504381 426779651 /nfs/dbraw/zinc/77/96/51/426779651.db2.gz PHATXFWXXSKABE-CABCVRRESA-N 1 0 319.405 2.520 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+][C@@H]3CCOC3)cs2)c1 ZINC000178994516 426732229 /nfs/dbraw/zinc/73/22/29/426732229.db2.gz MWBMWIOXCTYCBV-LLVKDONJSA-N 1 0 305.359 2.597 20 5 DFBDRO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000245431985 426737659 /nfs/dbraw/zinc/73/76/59/426737659.db2.gz OKLQPZXGGKRBDN-ZBFHGGJFSA-N 1 0 319.405 2.662 20 5 DFBDRO CC(=O)NC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266566872 426740240 /nfs/dbraw/zinc/74/02/40/426740240.db2.gz ZYNSFQWZRFEHKX-JSGCOSHPSA-N 1 0 305.378 2.504 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@H](CC[NH3+])C2)cc1[N+](=O)[O-] ZINC000281945498 426799614 /nfs/dbraw/zinc/79/96/14/426799614.db2.gz LQFSMRQHFPBDCB-LLVKDONJSA-N 1 0 323.418 2.518 20 5 DFBDRO Cc1ccccc1C[C@H](CO)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000188928138 426800200 /nfs/dbraw/zinc/80/02/00/426800200.db2.gz GJTIIWHTSPYRBJ-QGZVFWFLSA-N 1 0 314.385 2.905 20 5 DFBDRO C[C@@H]1[C@@H](Cc2ccccc2)CC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000266942639 426800450 /nfs/dbraw/zinc/80/04/50/426800450.db2.gz QIDQBPCSLFGKMN-GDBMZVCRSA-N 1 0 314.389 2.744 20 5 DFBDRO COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CCC1 ZINC000281959336 426801354 /nfs/dbraw/zinc/80/13/54/426801354.db2.gz JGSOJQWIFFYNRJ-UHFFFAOYSA-N 1 0 324.377 2.518 20 5 DFBDRO C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000246259985 426815142 /nfs/dbraw/zinc/81/51/42/426815142.db2.gz NUYBQTQYWAFHAT-UMVBOHGHSA-N 1 0 308.378 2.597 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)c(F)c1 ZINC000267084521 426821472 /nfs/dbraw/zinc/82/14/72/426821472.db2.gz ZCUXLWBVZGSEAQ-OAHLLOKOSA-N 1 0 307.369 2.794 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000179992952 426831690 /nfs/dbraw/zinc/83/16/90/426831690.db2.gz DIHZCCRRZMWSTA-MRVPVSSYSA-N 1 0 305.363 2.711 20 5 DFBDRO CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000246458380 426835466 /nfs/dbraw/zinc/83/54/66/426835466.db2.gz MXECAUZICARAAN-UKRRQHHQSA-N 1 0 319.405 2.955 20 5 DFBDRO CC(C)(O)CC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000274793440 426837140 /nfs/dbraw/zinc/83/71/40/426837140.db2.gz ZGFQCXLEWWYIKF-UHFFFAOYSA-N 1 0 321.402 2.969 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295197886 426858337 /nfs/dbraw/zinc/85/83/37/426858337.db2.gz JUYOCSHSDSDJHP-OAHLLOKOSA-N 1 0 322.405 2.976 20 5 DFBDRO Cc1ccc(N2CCC(OCCC[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000267211579 426846226 /nfs/dbraw/zinc/84/62/26/426846226.db2.gz QTODRUQLNIWCRK-UHFFFAOYSA-N 1 0 321.421 2.840 20 5 DFBDRO C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1F ZINC000282217171 426855391 /nfs/dbraw/zinc/85/53/91/426855391.db2.gz YKPCCJMMRCYFEZ-ZWNOBZJWSA-N 1 0 309.341 2.841 20 5 DFBDRO CC(=O)c1cc([N+](=O)[O-])ccc1N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000290857066 426856246 /nfs/dbraw/zinc/85/62/46/426856246.db2.gz YCGMELRPOYDXET-JQWIXIFHSA-N 1 0 303.362 2.835 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000246023840 426791947 /nfs/dbraw/zinc/79/19/47/426791947.db2.gz KRAAOSVCIWKNNS-MGPQQGTHSA-N 1 0 319.405 2.750 20 5 DFBDRO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)ccc3[N+](=O)[O-])C2)cn1 ZINC000266910808 426794115 /nfs/dbraw/zinc/79/41/15/426794115.db2.gz CURPAVRFFIRJQT-NSHDSACASA-N 1 0 320.780 2.971 20 5 DFBDRO COC(=O)[C@]1(C)C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000282761231 426923406 /nfs/dbraw/zinc/92/34/06/426923406.db2.gz OGKKYYYVNOPDRR-XHBSWPGZSA-N 1 0 306.362 2.787 20 5 DFBDRO COc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000282322008 426881622 /nfs/dbraw/zinc/88/16/22/426881622.db2.gz ADFLQPFKQDRZIU-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO C[S@](=O)C1(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000282336945 426887731 /nfs/dbraw/zinc/88/77/31/426887731.db2.gz OMLCMKXBDFMWRC-FPTDNZKUSA-N 1 0 322.430 2.818 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000282352766 426889937 /nfs/dbraw/zinc/88/99/37/426889937.db2.gz PJXJJVOWRONZSM-UGFHNGPFSA-N 1 0 305.378 2.693 20 5 DFBDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-] ZINC000291472503 426891022 /nfs/dbraw/zinc/89/10/22/426891022.db2.gz FGQJKWJCQYKWJH-CYBMUJFWSA-N 1 0 307.394 2.753 20 5 DFBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H](O)c1ccccc1F ZINC000282358883 426892066 /nfs/dbraw/zinc/89/20/66/426892066.db2.gz DAOUHWPLLLONFH-QGZVFWFLSA-N 1 0 318.348 2.942 20 5 DFBDRO COC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCC1 ZINC000181088428 426913054 /nfs/dbraw/zinc/91/30/54/426913054.db2.gz NEZQZAKQJBHOIC-UHFFFAOYSA-N 1 0 316.304 2.855 20 5 DFBDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000295526130 426993730 /nfs/dbraw/zinc/99/37/30/426993730.db2.gz PTUVXEGYFIFGJB-LBPRGKRZSA-N 1 0 319.361 2.719 20 5 DFBDRO C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000295433646 426957585 /nfs/dbraw/zinc/95/75/85/426957585.db2.gz VADDSCJUUHQHBI-NSHDSACASA-N 1 0 314.345 2.547 20 5 DFBDRO C[C@@](O)(CC[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000189845796 426963697 /nfs/dbraw/zinc/96/36/97/426963697.db2.gz UUPPQUBNJVSGMT-QGZVFWFLSA-N 1 0 300.358 2.982 20 5 DFBDRO CC[C@@H]([NH2+]CC(=O)NC(C)(C)CC)c1cccc([N+](=O)[O-])c1 ZINC000181555608 426964417 /nfs/dbraw/zinc/96/44/17/426964417.db2.gz PKUUJISCHJMCHB-CQSZACIVSA-N 1 0 307.394 2.940 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000181929951 426994908 /nfs/dbraw/zinc/99/49/08/426994908.db2.gz WZYDCXRARAKBID-AWEZNQCLSA-N 1 0 320.389 2.601 20 5 DFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283271970 426986760 /nfs/dbraw/zinc/98/67/60/426986760.db2.gz LILMUYGOZNISNF-NEPJUHHUSA-N 1 0 323.418 2.749 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000291797351 426991929 /nfs/dbraw/zinc/99/19/29/426991929.db2.gz DPROQBYBXMJIMH-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C)cc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000247331663 426929057 /nfs/dbraw/zinc/92/90/57/426929057.db2.gz ISPDZGGQDJAQTD-XJKSGUPXSA-N 1 0 319.405 2.706 20 5 DFBDRO C[C@]1(C[NH3+])CCN(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C1 ZINC000314827118 426931653 /nfs/dbraw/zinc/93/16/53/426931653.db2.gz RPQLLJCDMCHUBH-GFCCVEGCSA-N 1 0 303.284 2.789 20 5 DFBDRO O=c1ccc([N+](=O)[O-])cn1CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000291646293 426936285 /nfs/dbraw/zinc/93/62/85/426936285.db2.gz DZRLCNAFKZMDLL-HNNXBMFYSA-N 1 0 319.405 2.849 20 5 DFBDRO CC(C)([NH2+]Cc1cnc2cnccn12)c1ccccc1[N+](=O)[O-] ZINC000291663646 426942357 /nfs/dbraw/zinc/94/23/57/426942357.db2.gz FLIBKUSVXVPNBK-UHFFFAOYSA-N 1 0 311.345 2.662 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](Oc3ccccn3)C2)cc1F ZINC000283067048 426945112 /nfs/dbraw/zinc/94/51/12/426945112.db2.gz JWDGDCFCNHJDCM-CYBMUJFWSA-N 1 0 317.320 2.782 20 5 DFBDRO CCN(CCC[NH+](C)C)C(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000276154496 426996205 /nfs/dbraw/zinc/99/62/05/426996205.db2.gz DBOIZXZQBYSUKD-UHFFFAOYSA-N 1 0 321.421 2.673 20 5 DFBDRO CN(C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000291840778 427003183 /nfs/dbraw/zinc/00/31/83/427003183.db2.gz TXDNLJCOPUUTOE-MRXNPFEDSA-N 1 0 323.368 2.770 20 5 DFBDRO CC1(C)C[N@H+](CCn2cc([N+](=O)[O-])cn2)CC[C@H]1C(F)(F)F ZINC000190181127 427041156 /nfs/dbraw/zinc/04/11/56/427041156.db2.gz HMEJRVOELMFAAT-LLVKDONJSA-N 1 0 320.315 2.702 20 5 DFBDRO CC1([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)OCCO1 ZINC000276352837 427043278 /nfs/dbraw/zinc/04/32/78/427043278.db2.gz WXFCWWZWNDVUNF-CYBMUJFWSA-N 1 0 324.352 2.709 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000276383668 427050610 /nfs/dbraw/zinc/05/06/10/427050610.db2.gz GYEADYLYUVPZDW-WFASDCNBSA-N 1 0 320.393 2.625 20 5 DFBDRO C[C@@H](CCCC[NH3+])NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000292039251 427066279 /nfs/dbraw/zinc/06/62/79/427066279.db2.gz HZHWRQWZPBDGOU-JTQLQIEISA-N 1 0 305.334 2.588 20 5 DFBDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccco1 ZINC000337978358 427072481 /nfs/dbraw/zinc/07/24/81/427072481.db2.gz KCQZCKJBNOXAON-NSHDSACASA-N 1 0 303.318 2.695 20 5 DFBDRO COc1ccnc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1OC ZINC000276458396 427073372 /nfs/dbraw/zinc/07/33/72/427073372.db2.gz VXAFKOOWYSBULK-LLVKDONJSA-N 1 0 317.345 2.858 20 5 DFBDRO C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000182496504 427087460 /nfs/dbraw/zinc/08/74/60/427087460.db2.gz HZZFGBNYVWQULD-GLQYFDAESA-N 1 0 317.389 2.704 20 5 DFBDRO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283890818 427093381 /nfs/dbraw/zinc/09/33/81/427093381.db2.gz CMSDGEWCTHQHBR-LLVKDONJSA-N 1 0 301.346 2.776 20 5 DFBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC[N@@H+](C2CCC2)C1 ZINC000292122779 427097272 /nfs/dbraw/zinc/09/72/72/427097272.db2.gz HSKOWBGIORXYPM-CQSZACIVSA-N 1 0 303.406 2.901 20 5 DFBDRO CCC1([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])CCCC1 ZINC000296161344 427097792 /nfs/dbraw/zinc/09/77/92/427097792.db2.gz HIGGFRTZTYAKBC-ZDUSSCGKSA-N 1 0 308.378 2.647 20 5 DFBDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000249276931 427101546 /nfs/dbraw/zinc/10/15/46/427101546.db2.gz LIFUZEWXAJCCRD-DVOMOZLQSA-N 1 0 319.405 2.972 20 5 DFBDRO Cc1nc(NCCCC[N@H+]2CCC[C@@H](C)C2)ncc1[N+](=O)[O-] ZINC000296193919 427109042 /nfs/dbraw/zinc/10/90/42/427109042.db2.gz BPKHLHMOEOUEMK-GFCCVEGCSA-N 1 0 307.398 2.617 20 5 DFBDRO COCCO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000249383889 427109856 /nfs/dbraw/zinc/10/98/56/427109856.db2.gz PKZVRGLIXJOCTM-UKRRQHHQSA-N 1 0 308.378 2.702 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(Cc3ccc([N+](=O)[O-])cc3Cl)C2)C1 ZINC000292173389 427119231 /nfs/dbraw/zinc/11/92/31/427119231.db2.gz PWVKZTCJGMFTBJ-OAHLLOKOSA-N 1 0 309.797 2.776 20 5 DFBDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284036197 427119986 /nfs/dbraw/zinc/11/99/86/427119986.db2.gz JOJYFQJLSVUPCQ-OTYXRUKQSA-N 1 0 307.375 2.623 20 5 DFBDRO C[C@H]1CN(c2ncc([N+](=O)[O-])cc2Cl)CC[N@@H+](C2CCC2)C1 ZINC000292233745 427139912 /nfs/dbraw/zinc/13/99/12/427139912.db2.gz IYWSTZVBYUNELF-LLVKDONJSA-N 1 0 324.812 2.954 20 5 DFBDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284155862 427146478 /nfs/dbraw/zinc/14/64/78/427146478.db2.gz POXGMHMOFZMIMP-BMIGLBTASA-N 1 0 321.402 2.797 20 5 DFBDRO CNC(=O)CC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182820285 427149873 /nfs/dbraw/zinc/14/98/73/427149873.db2.gz PDTCSAJKNZBMDR-ZDUSSCGKSA-N 1 0 319.405 2.812 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156833951 271061962 /nfs/dbraw/zinc/06/19/62/271061962.db2.gz CYKGZLKXACWHSD-GWCFXTLKSA-N 1 0 323.418 2.516 20 5 DFBDRO CSc1ccc(C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000156833668 271062213 /nfs/dbraw/zinc/06/22/13/271062213.db2.gz CYKGZLKXACWHSD-GXFFZTMASA-N 1 0 323.418 2.516 20 5 DFBDRO CCc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000174085709 271125849 /nfs/dbraw/zinc/12/58/49/271125849.db2.gz QPZSQFGFYMTPKF-CYBMUJFWSA-N 1 0 319.405 2.761 20 5 DFBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O ZINC000270481752 271295888 /nfs/dbraw/zinc/29/58/88/271295888.db2.gz FXLGPDDCBJIEJN-HIFRSBDPSA-N 1 0 307.394 2.657 20 5 DFBDRO CC(=O)Nc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000278827324 271320492 /nfs/dbraw/zinc/32/04/92/271320492.db2.gz ROVBBMYHBALOHM-NSHDSACASA-N 1 0 314.345 2.799 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1F ZINC000282990223 271334454 /nfs/dbraw/zinc/33/44/54/271334454.db2.gz DXUOIVUUVFODHO-CQSZACIVSA-N 1 0 307.369 2.794 20 5 DFBDRO Cn1cncc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000297571665 271360295 /nfs/dbraw/zinc/36/02/95/271360295.db2.gz CYLXIKKXCUBANB-UHFFFAOYSA-N 1 0 300.362 2.535 20 5 DFBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284273453 427173178 /nfs/dbraw/zinc/17/31/78/427173178.db2.gz XOOIDHMKOKGBMU-GXTWGEPZSA-N 1 0 309.322 2.550 20 5 DFBDRO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000284333615 427183432 /nfs/dbraw/zinc/18/34/32/427183432.db2.gz MKTZKRXXCFPFRG-KBMXLJTQSA-N 1 0 324.421 2.794 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000269395121 427186187 /nfs/dbraw/zinc/18/61/87/427186187.db2.gz SVHSEMFTVKFSKZ-JQWIXIFHSA-N 1 0 312.801 2.810 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000296477517 427192506 /nfs/dbraw/zinc/19/25/06/427192506.db2.gz YDNZDMWAWPVDAW-BZUAXINKSA-N 1 0 318.373 2.521 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000296475624 427192590 /nfs/dbraw/zinc/19/25/90/427192590.db2.gz NZJVFCISTAHGSC-KCXAZCMYSA-N 1 0 304.390 2.667 20 5 DFBDRO CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H](C)CC)c([N+](=O)[O-])c1 ZINC000183079131 427197078 /nfs/dbraw/zinc/19/70/78/427197078.db2.gz UEWOPBBFMYFTFQ-RYUDHWBXSA-N 1 0 323.393 2.956 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293108427 427214996 /nfs/dbraw/zinc/21/49/96/427214996.db2.gz LNUWNVBRJCZPLZ-HNNXBMFYSA-N 1 0 308.378 2.729 20 5 DFBDRO CCNC(=O)C(C)(C)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000183221943 427225935 /nfs/dbraw/zinc/22/59/35/427225935.db2.gz GDZYCPNZBCIPMM-CQSZACIVSA-N 1 0 307.394 2.798 20 5 DFBDRO Cc1c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cccc1[N+](=O)[O-] ZINC000285450978 427237821 /nfs/dbraw/zinc/23/78/21/427237821.db2.gz GHMLIZCBZYOELD-CZUORRHYSA-N 1 0 303.406 2.962 20 5 DFBDRO C[C@@](CO)([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269674876 427246742 /nfs/dbraw/zinc/24/67/42/427246742.db2.gz VVPFDFLRQSJPJF-SJORKVTESA-N 1 0 322.405 2.549 20 5 DFBDRO C[C@@](CO)([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269674875 427247689 /nfs/dbraw/zinc/24/76/89/427247689.db2.gz VVPFDFLRQSJPJF-IRXDYDNUSA-N 1 0 322.405 2.549 20 5 DFBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1Cc2ccccc2C1 ZINC000269702730 427254110 /nfs/dbraw/zinc/25/41/10/427254110.db2.gz YXBPSSLSLYAFIE-SFHVURJKSA-N 1 0 312.369 2.727 20 5 DFBDRO C[C@@H]1CN(CCc2ccc([N+](=O)[O-])cc2)CC[N@@H+](C2CC2)C1 ZINC000296866338 427257708 /nfs/dbraw/zinc/25/77/08/427257708.db2.gz ZGUOLWVURNBNBP-CQSZACIVSA-N 1 0 303.406 2.553 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000183390924 427260800 /nfs/dbraw/zinc/26/08/00/427260800.db2.gz BHGDBQCSXVAENF-LSDHHAIUSA-N 1 0 308.403 2.610 20 5 DFBDRO CCOCCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183397045 427263719 /nfs/dbraw/zinc/26/37/19/427263719.db2.gz KUQGMJMMTGMLTN-INIZCTEOSA-N 1 0 308.378 2.531 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000285540141 427266756 /nfs/dbraw/zinc/26/67/56/427266756.db2.gz LLUPKTXEKDVXNP-BBRMVZONSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000330589719 427270483 /nfs/dbraw/zinc/27/04/83/427270483.db2.gz POJKKHKPQGIEDW-WDEREUQCSA-N 1 0 307.350 2.739 20 5 DFBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000338357976 427276381 /nfs/dbraw/zinc/27/63/81/427276381.db2.gz PXYVMUBBOZDOSI-NSHDSACASA-N 1 0 305.309 2.859 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2NCC[NH+]2CCSCC2)c1 ZINC000296928995 427279097 /nfs/dbraw/zinc/27/90/97/427279097.db2.gz BCJUSKNPNMFGEU-UHFFFAOYSA-N 1 0 318.402 2.604 20 5 DFBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CCC(CO)CC1 ZINC000285713475 427315847 /nfs/dbraw/zinc/31/58/47/427315847.db2.gz SLACUUTUILOQCI-UHFFFAOYSA-N 1 0 314.332 2.856 20 5 DFBDRO CC[NH+](CC)CCO[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000338682438 271573713 /nfs/dbraw/zinc/57/37/13/271573713.db2.gz ZKIFNSXEEQULIA-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000285626751 427293685 /nfs/dbraw/zinc/29/36/85/427293685.db2.gz KOSISGHCBPEFCF-IUODEOHRSA-N 1 0 318.377 2.685 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000331299141 427395298 /nfs/dbraw/zinc/39/52/98/427395298.db2.gz VIMQPINTSTVKDV-YWPYICTPSA-N 1 0 308.378 2.585 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000331299140 427396902 /nfs/dbraw/zinc/39/69/02/427396902.db2.gz VIMQPINTSTVKDV-SLEUVZQESA-N 1 0 308.378 2.585 20 5 DFBDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710501 427409885 /nfs/dbraw/zinc/40/98/85/427409885.db2.gz LXDNBWORPQSUFK-SJCJKPOMSA-N 1 0 315.373 2.870 20 5 DFBDRO CCc1ccc(C(=O)N2CCCC[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000286049521 427410278 /nfs/dbraw/zinc/41/02/78/427410278.db2.gz LGEPJSMTESMNNS-CQSZACIVSA-N 1 0 305.378 2.501 20 5 DFBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccnn1C ZINC000271121970 427410606 /nfs/dbraw/zinc/41/06/06/427410606.db2.gz JRLGGFBWUNAGOW-GFCCVEGCSA-N 1 0 320.418 2.989 20 5 DFBDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293710505 427411454 /nfs/dbraw/zinc/41/14/54/427411454.db2.gz LXDNBWORPQSUFK-YVEFUNNKSA-N 1 0 315.373 2.870 20 5 DFBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)ccc1[N+](=O)[O-] ZINC000331139762 427354510 /nfs/dbraw/zinc/35/45/10/427354510.db2.gz FCQYFXGRSQFPLW-WFASDCNBSA-N 1 0 308.378 2.586 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)ccc1[N+](=O)[O-] ZINC000331170449 427362721 /nfs/dbraw/zinc/36/27/21/427362721.db2.gz NYTLYDYCWMAMJZ-HEHGZKQESA-N 1 0 322.405 2.975 20 5 DFBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)ccc1[N+](=O)[O-] ZINC000331170452 427362788 /nfs/dbraw/zinc/36/27/88/427362788.db2.gz NYTLYDYCWMAMJZ-ZENOOKHLSA-N 1 0 322.405 2.975 20 5 DFBDRO Cc1ncsc1C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331583410 427448781 /nfs/dbraw/zinc/44/87/81/427448781.db2.gz JXVNQJYHQYDKRL-RYUDHWBXSA-N 1 0 321.406 2.830 20 5 DFBDRO CC(C)C[C@H](CNc1ncnc2sc([N+](=O)[O-])cc21)[NH+](C)C ZINC000286219384 427459218 /nfs/dbraw/zinc/45/92/18/427459218.db2.gz STBRREIRXYWZAT-SNVBAGLBSA-N 1 0 323.422 2.988 20 5 DFBDRO O=C(NCCCCC[NH+]1CCCC1)c1csc([N+](=O)[O-])c1 ZINC000293843120 427459815 /nfs/dbraw/zinc/45/98/15/427459815.db2.gz FOTLWSLQGGXHCY-UHFFFAOYSA-N 1 0 311.407 2.652 20 5 DFBDRO [NH3+]CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000286236263 427463407 /nfs/dbraw/zinc/46/34/07/427463407.db2.gz UNIGHILJQFGMJS-SNVBAGLBSA-N 1 0 311.769 2.592 20 5 DFBDRO Cc1cc(N2CC[N@H+](C3CCOCC3)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000278828163 427466213 /nfs/dbraw/zinc/46/62/13/427466213.db2.gz QJGOZJUDEDRCNW-CQSZACIVSA-N 1 0 319.405 2.593 20 5 DFBDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1c1ncc([N+](=O)[O-])cc1Cl ZINC000286275236 427475849 /nfs/dbraw/zinc/47/58/49/427475849.db2.gz DRBOTKCRDCTZRM-MFKMUULPSA-N 1 0 310.785 2.706 20 5 DFBDRO CCC[N@@H+](CCc1cccs1)CCn1ccc([N+](=O)[O-])n1 ZINC000184516714 427478455 /nfs/dbraw/zinc/47/84/55/427478455.db2.gz NCEHQFQQHHPMRI-UHFFFAOYSA-N 1 0 308.407 2.808 20 5 DFBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000331745852 427481084 /nfs/dbraw/zinc/48/10/84/427481084.db2.gz YPYDHVCGYUZPHY-GXTWGEPZSA-N 1 0 317.389 2.747 20 5 DFBDRO CC1(C)C[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)O1 ZINC000331740871 427482383 /nfs/dbraw/zinc/48/23/83/427482383.db2.gz APEHAGXRHCYIRX-ZDUSSCGKSA-N 1 0 318.377 2.907 20 5 DFBDRO COC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000278870432 427484604 /nfs/dbraw/zinc/48/46/04/427484604.db2.gz RVWQKMMKXZXXOF-KMFMINBZSA-N 1 0 322.405 2.700 20 5 DFBDRO C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000184231544 427421504 /nfs/dbraw/zinc/42/15/04/427421504.db2.gz QKDZMYPWCMFCRC-SICOMBFOSA-N 1 0 317.389 2.551 20 5 DFBDRO COc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000297692998 427430768 /nfs/dbraw/zinc/43/07/68/427430768.db2.gz AICYPEZQZBTMJA-LBPRGKRZSA-N 1 0 321.377 2.806 20 5 DFBDRO CCCN(CC[NH+]1CCCCC1)c1c([N+](=O)[O-])nc(C)n1CC ZINC000340956033 271765821 /nfs/dbraw/zinc/76/58/21/271765821.db2.gz JVMUUYLWXBJDFG-UHFFFAOYSA-N 1 0 323.441 2.822 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@@H](C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000271172117 427431898 /nfs/dbraw/zinc/43/18/98/427431898.db2.gz UJUMSGGAWRCHRF-STQMWFEESA-N 1 0 309.410 2.984 20 5 DFBDRO CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)c1ccc(OC)cc1 ZINC000341043328 271772912 /nfs/dbraw/zinc/77/29/12/271772912.db2.gz QWGWRNLNPZNTEG-CYBMUJFWSA-N 1 0 304.350 2.578 20 5 DFBDRO C[NH+](C)C[C@@H]1CCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000338688803 427441300 /nfs/dbraw/zinc/44/13/00/427441300.db2.gz GPOSJSVIHQUNMA-LBPRGKRZSA-N 1 0 300.362 2.531 20 5 DFBDRO Cc1ccc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000293810580 427445889 /nfs/dbraw/zinc/44/58/89/427445889.db2.gz FCNCYHAGRRZJJX-KRWDZBQOSA-N 1 0 314.385 2.939 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2(O)CCCCC2)n1 ZINC000332067966 427502196 /nfs/dbraw/zinc/50/21/96/427502196.db2.gz URQKHXPLUJBCLS-KBPBESRZSA-N 1 0 322.409 2.560 20 5 DFBDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000184670365 427514242 /nfs/dbraw/zinc/51/42/42/427514242.db2.gz ZKAUXPDDEWVPRW-GFCCVEGCSA-N 1 0 305.378 2.726 20 5 DFBDRO CC(C)C(=O)NCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278993061 427523866 /nfs/dbraw/zinc/52/38/66/427523866.db2.gz FBOKCGSFYHIIEN-HNNXBMFYSA-N 1 0 319.405 2.679 20 5 DFBDRO COC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccc(C)o1 ZINC000184713716 427524125 /nfs/dbraw/zinc/52/41/25/427524125.db2.gz RZZPCWQIIDNGMF-CYBMUJFWSA-N 1 0 320.345 2.852 20 5 DFBDRO C[C@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1cccc([N+](=O)[O-])c1 ZINC000279014343 427531539 /nfs/dbraw/zinc/53/15/39/427531539.db2.gz UDINBQIRQDXRPV-STQMWFEESA-N 1 0 300.362 2.705 20 5 DFBDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000286465863 427534736 /nfs/dbraw/zinc/53/47/36/427534736.db2.gz VKGOPSGBGHTEER-YPMHNXCESA-N 1 0 315.377 2.534 20 5 DFBDRO C[C@]12CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298206837 427535084 /nfs/dbraw/zinc/53/50/84/427535084.db2.gz DAZSIXIPJVQXCA-KGLIPLIRSA-N 1 0 312.316 2.951 20 5 DFBDRO C[NH+](C)C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1 ZINC000271429202 427535691 /nfs/dbraw/zinc/53/56/91/427535691.db2.gz WFNOMMUQDZBVSQ-NSHDSACASA-N 1 0 315.320 2.727 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2noc(C3CC[NH+](C4CC4)CC3)n2)c1 ZINC000279046746 427542090 /nfs/dbraw/zinc/54/20/90/427542090.db2.gz RAOFGKMUHHJIFJ-UHFFFAOYSA-N 1 0 314.345 2.987 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1CN(C)C1CC[NH+](C(C)C)CC1 ZINC000263694783 427545009 /nfs/dbraw/zinc/54/50/09/427545009.db2.gz KIPWHGRQLLCFGB-UHFFFAOYSA-N 1 0 321.421 2.908 20 5 DFBDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000287002490 427552140 /nfs/dbraw/zinc/55/21/40/427552140.db2.gz PUMBKGBUPPHDDW-IUODEOHRSA-N 1 0 318.377 2.685 20 5 DFBDRO CC(C)[NH+]1CCC(N(C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000263726251 427553730 /nfs/dbraw/zinc/55/37/30/427553730.db2.gz PEYFUJRGZMCMSH-UHFFFAOYSA-N 1 0 321.421 2.778 20 5 DFBDRO Cc1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000287173609 427554234 /nfs/dbraw/zinc/55/42/34/427554234.db2.gz OGPKETNALIMULF-XJKSGUPXSA-N 1 0 317.389 2.602 20 5 DFBDRO C[C@H]([NH2+]C[C@](C)(O)c1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293918122 427489656 /nfs/dbraw/zinc/48/96/56/427489656.db2.gz XERIWVYCSBYMEA-SJCJKPOMSA-N 1 0 315.373 2.735 20 5 DFBDRO CCC1(CC)CN(CCc2ccc([N+](=O)[O-])cc2)CC[S@@]1=O ZINC000185237778 427619087 /nfs/dbraw/zinc/61/90/87/427619087.db2.gz XGYLDRFUAZKBBL-QFIPXVFZSA-N 1 0 324.446 2.760 20 5 DFBDRO CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000279267952 427622155 /nfs/dbraw/zinc/62/21/55/427622155.db2.gz NBLSDFJZMNXNGW-IVMMDQJWSA-N 1 0 308.378 2.503 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000341766031 271892866 /nfs/dbraw/zinc/89/28/66/271892866.db2.gz FAOXSOWQWNURGP-WFASDCNBSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc([N+](=O)[O-])c1 ZINC000287266650 427563637 /nfs/dbraw/zinc/56/36/37/427563637.db2.gz SDVQVSYSSFSISX-CZUORRHYSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[C@H]([NH2+]CCCc1nc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000271502940 427564170 /nfs/dbraw/zinc/56/41/70/427564170.db2.gz RBMGOMRZRULVLF-AWEZNQCLSA-N 1 0 304.350 2.960 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1ccnc1)CCC2 ZINC000192591431 427568565 /nfs/dbraw/zinc/56/85/65/427568565.db2.gz OKKHKBZDRADKCV-MRXNPFEDSA-N 1 0 300.362 2.849 20 5 DFBDRO CC(C)NC(=O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279148109 427575655 /nfs/dbraw/zinc/57/56/55/427575655.db2.gz SNCMXQLQMHGDPZ-OAHLLOKOSA-N 1 0 319.405 2.822 20 5 DFBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-] ZINC000192629662 427576931 /nfs/dbraw/zinc/57/69/31/427576931.db2.gz SZQDZKLWCNHLFS-SMDDNHRTSA-N 1 0 305.378 2.704 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000192633913 427577232 /nfs/dbraw/zinc/57/72/32/427577232.db2.gz HIEBUGREHSLFIQ-CQSZACIVSA-N 1 0 321.425 2.796 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271606012 427581953 /nfs/dbraw/zinc/58/19/53/427581953.db2.gz BOUWKVPFZMHYRD-CHWSQXEVSA-N 1 0 322.409 2.685 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271606013 427582212 /nfs/dbraw/zinc/58/22/12/427582212.db2.gz BOUWKVPFZMHYRD-OLZOCXBDSA-N 1 0 322.409 2.685 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000332341366 427583998 /nfs/dbraw/zinc/58/39/98/427583998.db2.gz QZQUHAFCFVSLMO-OLZOCXBDSA-N 1 0 315.377 2.962 20 5 DFBDRO CC[C@@H](C(=O)N[C@H](C)c1ccccc1[N+](=O)[O-])[NH+](CC)CC ZINC000271742664 427584088 /nfs/dbraw/zinc/58/40/88/427584088.db2.gz WNGKSJWTLMPCTE-OCCSQVGLSA-N 1 0 307.394 2.892 20 5 DFBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1cnccn1 ZINC000341897804 271920075 /nfs/dbraw/zinc/92/00/75/271920075.db2.gz SCZZWBXORMINSL-ZDUSSCGKSA-N 1 0 300.362 2.538 20 5 DFBDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)N1CCc2cc([N+](=O)[O-])ccc21 ZINC000279176342 427586655 /nfs/dbraw/zinc/58/66/55/427586655.db2.gz CKGZHGDITQBXMT-SWLSCSKDSA-N 1 0 317.389 2.652 20 5 DFBDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N+](=O)[O-])s1 ZINC000263986661 427626075 /nfs/dbraw/zinc/62/60/75/427626075.db2.gz MEZDKKAETCQFJW-NSHDSACASA-N 1 0 311.407 2.651 20 5 DFBDRO C[C@H]([NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000192870042 427628430 /nfs/dbraw/zinc/62/84/30/427628430.db2.gz PFWUHWCSBNBZLR-JTQLQIEISA-N 1 0 305.359 2.946 20 5 DFBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287558216 427638965 /nfs/dbraw/zinc/63/89/65/427638965.db2.gz WSTCIIGWYPLHRN-HIFRSBDPSA-N 1 0 317.389 2.600 20 5 DFBDRO C[C@H](C[NH+](C)C)NCc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000342222739 271969611 /nfs/dbraw/zinc/96/96/11/271969611.db2.gz UYOZOWHKCZYQDU-GFCCVEGCSA-N 1 0 303.362 2.895 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342907186 272066318 /nfs/dbraw/zinc/06/63/18/272066318.db2.gz NVVVTBAQNMFRDD-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1(O)CCC1 ZINC000339088514 427670302 /nfs/dbraw/zinc/67/03/02/427670302.db2.gz RTBZHHFXCQENHU-UHFFFAOYSA-N 1 0 318.295 2.960 20 5 DFBDRO CCN(CC)C(=O)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000343100378 272086125 /nfs/dbraw/zinc/08/61/25/272086125.db2.gz CGQHAJWGLIRMKB-UHFFFAOYSA-N 1 0 319.405 2.675 20 5 DFBDRO CC[N@@H+]1CCN(c2nc3ccccc3cc2[N+](=O)[O-])[C@H](C)C1 ZINC000343275981 272111118 /nfs/dbraw/zinc/11/11/18/272111118.db2.gz UOGLSXHCPGTZKR-GFCCVEGCSA-N 1 0 300.362 2.673 20 5 DFBDRO CSc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000343446404 272148800 /nfs/dbraw/zinc/14/88/00/272148800.db2.gz OQNWRWDSJUVCKU-CMPLNLGQSA-N 1 0 323.418 2.529 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1C ZINC000343581210 272176897 /nfs/dbraw/zinc/17/68/97/272176897.db2.gz WIEQVTHZUCWBPC-AWEZNQCLSA-N 1 0 305.378 2.507 20 5 DFBDRO Cc1ccccc1[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CC1 ZINC000343602973 272181169 /nfs/dbraw/zinc/18/11/69/272181169.db2.gz GTCYVQLWXVNTIG-HNNXBMFYSA-N 1 0 300.362 2.878 20 5 DFBDRO CCC[N@@H+]1CCC[C@H]1CNc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000343909213 272235502 /nfs/dbraw/zinc/23/55/02/272235502.db2.gz BPVPSAHMKYUMDB-ZDUSSCGKSA-N 1 0 321.377 2.668 20 5 DFBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC ZINC000185616528 427680341 /nfs/dbraw/zinc/68/03/41/427680341.db2.gz JPHJTURZQUMBFP-FZMZJTMJSA-N 1 0 321.377 2.662 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344056701 272253032 /nfs/dbraw/zinc/25/30/32/272253032.db2.gz JZRKGZAJCMWGGS-CQSZACIVSA-N 1 0 317.389 2.964 20 5 DFBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1 ZINC000344204357 272286444 /nfs/dbraw/zinc/28/64/44/272286444.db2.gz GSQYXDZXGNIDPI-CYBMUJFWSA-N 1 0 305.378 2.562 20 5 DFBDRO CC[C@@]1(C)CC[N@@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1 ZINC000344220425 272290354 /nfs/dbraw/zinc/29/03/54/272290354.db2.gz QOPLNBVJRJCQGD-WBVHZDCISA-N 1 0 317.389 2.822 20 5 DFBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000344266543 272300752 /nfs/dbraw/zinc/30/07/52/272300752.db2.gz KDGZBCZLDBSZHO-JTQLQIEISA-N 1 0 316.304 2.712 20 5 DFBDRO CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCCO[C@@H]21 ZINC000344271645 272302348 /nfs/dbraw/zinc/30/23/48/272302348.db2.gz ABVBRDVZDWRDHS-XHSDSOJGSA-N 1 0 320.389 2.767 20 5 DFBDRO CCO[C@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000344293207 272306416 /nfs/dbraw/zinc/30/64/16/272306416.db2.gz QENAMLJGLMHAGE-HOTGVXAUSA-N 1 0 320.389 2.911 20 5 DFBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H](O)CCc2ccccc2)c(F)c1 ZINC000344348246 272317286 /nfs/dbraw/zinc/31/72/86/272317286.db2.gz IKLLLIJNGTZHFW-INIZCTEOSA-N 1 0 318.348 2.817 20 5 DFBDRO O=C(NCC[NH+]1CCCCC1)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000298714612 427683565 /nfs/dbraw/zinc/68/35/65/427683565.db2.gz FCSGTXCPYGKNGE-UHFFFAOYSA-N 1 0 317.345 2.557 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000344737850 272363349 /nfs/dbraw/zinc/36/33/49/272363349.db2.gz CMEYOHCFYSUWGZ-FMKPAKJESA-N 1 0 305.422 2.988 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)Cn1cccn1 ZINC000344793752 272369893 /nfs/dbraw/zinc/36/98/93/272369893.db2.gz PGKMVVAMNBHUQJ-KADHNRKRSA-N 1 0 300.362 2.873 20 5 DFBDRO CO[C@H](CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(F)(F)F ZINC000344797757 272371966 /nfs/dbraw/zinc/37/19/66/272371966.db2.gz RAUIJOGOFAJPKZ-GFCCVEGCSA-N 1 0 306.284 2.960 20 5 DFBDRO COc1ccc(C[NH2+]CC[C@@H](OC)C(F)(F)F)cc1[N+](=O)[O-] ZINC000344816744 272373636 /nfs/dbraw/zinc/37/36/36/272373636.db2.gz RZFQYILWQZPBES-GFCCVEGCSA-N 1 0 322.283 2.660 20 5 DFBDRO CSC[C@@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344857211 272377873 /nfs/dbraw/zinc/37/78/73/272377873.db2.gz FXCWWLMFBYQIGQ-BLMSOEDDSA-N 1 0 310.419 2.702 20 5 DFBDRO Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000344923925 272385485 /nfs/dbraw/zinc/38/54/85/272385485.db2.gz XNRBMYYQWGBOKO-AAEUAGOBSA-N 1 0 306.366 2.507 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)[S@](C)=O ZINC000345042802 272397482 /nfs/dbraw/zinc/39/74/82/272397482.db2.gz BOZWTLYJIBVLMN-KHPDDAJASA-N 1 0 310.419 2.745 20 5 DFBDRO CCC(=O)N1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000345043924 272397608 /nfs/dbraw/zinc/39/76/08/272397608.db2.gz KTUWBSVTDGENLC-UZGISAJGSA-N 1 0 317.389 2.599 20 5 DFBDRO CCc1ccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)nc1 ZINC000339130722 427690002 /nfs/dbraw/zinc/69/00/02/427690002.db2.gz DDUTUJFYUACTMH-UHFFFAOYSA-N 1 0 315.377 2.586 20 5 DFBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C[C@H](C)O ZINC000339187509 427723675 /nfs/dbraw/zinc/72/36/75/427723675.db2.gz CFKOOYDZNAXVOK-VIFPVBQESA-N 1 0 306.284 2.816 20 5 DFBDRO Cc1c(NC(=O)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000339333337 427755503 /nfs/dbraw/zinc/75/55/03/427755503.db2.gz UQDDXMOMIKQEHF-UHFFFAOYSA-N 1 0 306.366 2.511 20 5 DFBDRO COCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000299230692 427762358 /nfs/dbraw/zinc/76/23/58/427762358.db2.gz FXJSKFIBIXYKEU-UHFFFAOYSA-N 1 0 313.785 2.771 20 5 DFBDRO CC(C)C[C@H]([NH3+])c1noc(CN(C)c2ccccc2[N+](=O)[O-])n1 ZINC000339386043 427765242 /nfs/dbraw/zinc/76/52/42/427765242.db2.gz UFOCZQBKDUZQNN-NSHDSACASA-N 1 0 319.365 2.660 20 5 DFBDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1F ZINC000336868555 427767314 /nfs/dbraw/zinc/76/73/14/427767314.db2.gz XFNBYRBKAAUXRW-WFASDCNBSA-N 1 0 307.369 2.793 20 5 DFBDRO COc1cc(F)c([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)c1 ZINC000301331248 427789428 /nfs/dbraw/zinc/78/94/28/427789428.db2.gz DPJUVEVQDQMNJK-UHFFFAOYSA-N 1 0 311.357 2.886 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185883545 427724202 /nfs/dbraw/zinc/72/42/02/427724202.db2.gz RCLHXOATAXTFJC-UHFFFAOYSA-N 1 0 319.405 2.755 20 5 DFBDRO Cc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000194226668 427735671 /nfs/dbraw/zinc/73/56/71/427735671.db2.gz GVOOMMBSDFJLIM-UHFFFAOYSA-N 1 0 317.389 2.507 20 5 DFBDRO CCc1nn(C)c(NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000301347440 427790499 /nfs/dbraw/zinc/79/04/99/427790499.db2.gz IONRPIFXTOBKQQ-BLLLJJGKSA-N 1 0 323.441 2.813 20 5 DFBDRO CC(=O)c1ccc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301411401 427794863 /nfs/dbraw/zinc/79/48/63/427794863.db2.gz KHPNYFYALHPDRO-SMDDNHRTSA-N 1 0 305.378 2.716 20 5 DFBDRO Cc1ccc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301449990 427797456 /nfs/dbraw/zinc/79/74/56/427797456.db2.gz SJGWKARGNQGQLI-ZIAGYGMSSA-N 1 0 307.394 2.814 20 5 DFBDRO CC(C)C[N@@H+]1CCO[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301504542 427801124 /nfs/dbraw/zinc/80/11/24/427801124.db2.gz GKIUAHLALDCIRJ-LBPRGKRZSA-N 1 0 311.357 2.503 20 5 DFBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000301573498 427806139 /nfs/dbraw/zinc/80/61/39/427806139.db2.gz LPCANPOTZLPSKZ-GHMZBOCLSA-N 1 0 308.338 2.788 20 5 DFBDRO COc1ccc(NC(=O)CC[N@H+]2CC=C(C)CC2)c([N+](=O)[O-])c1 ZINC000339659815 427808113 /nfs/dbraw/zinc/80/81/13/427808113.db2.gz BCCXRHMZARAYLA-UHFFFAOYSA-N 1 0 319.361 2.584 20 5 DFBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C[C@@H]1[NH+](C)C ZINC000301603664 427809086 /nfs/dbraw/zinc/80/90/86/427809086.db2.gz LFVRFHCRPJMFBN-ZANVPECISA-N 1 0 317.311 3.000 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000301809456 427825674 /nfs/dbraw/zinc/82/56/74/427825674.db2.gz YXHUWGKUHXTFMA-CYBMUJFWSA-N 1 0 304.394 2.751 20 5 DFBDRO O=[N+]([O-])c1cccc(OCCN2CCOC[C@H]2CC2CCC2)c1 ZINC000339774149 427827513 /nfs/dbraw/zinc/82/75/13/427827513.db2.gz DVIVDOFLYIDBSA-MRXNPFEDSA-N 1 0 320.389 2.865 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H](CO)CC(F)(F)F ZINC000339794698 427830805 /nfs/dbraw/zinc/83/08/05/427830805.db2.gz KMKCFTKSISRWRS-USEMIUTHSA-N 1 0 304.268 2.511 20 5 DFBDRO Nc1ccc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)cc1[N+](=O)[O-] ZINC000345661451 427849318 /nfs/dbraw/zinc/84/93/18/427849318.db2.gz GKONTZURKNLFDX-UHFFFAOYSA-N 1 0 322.284 2.542 20 5 DFBDRO CC(C)(C)CC[NH+]1CCN(c2cc(CO)ccc2[N+](=O)[O-])CC1 ZINC000302060904 427849461 /nfs/dbraw/zinc/84/94/61/427849461.db2.gz RYQQEKOLYSPMDW-UHFFFAOYSA-N 1 0 321.421 2.645 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000359457423 427860910 /nfs/dbraw/zinc/86/09/10/427860910.db2.gz NLGXPTIIFCMBBO-CHWSQXEVSA-N 1 0 313.357 2.506 20 5 DFBDRO CC1CC[NH+](CCCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000302744774 427862257 /nfs/dbraw/zinc/86/22/57/427862257.db2.gz OXFRCEFLQPCEKV-UHFFFAOYSA-N 1 0 320.393 2.838 20 5 DFBDRO O=[N+]([O-])c1cccc(-c2ccc(CN3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c1 ZINC000359476323 427868035 /nfs/dbraw/zinc/86/80/35/427868035.db2.gz UHJXJJIQTKVELX-ZIAGYGMSSA-N 1 0 313.357 2.506 20 5 DFBDRO C[NH+](C)CCn1cc(Nc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000302781484 427868216 /nfs/dbraw/zinc/86/82/16/427868216.db2.gz RUIBPZWNMXPVEL-UHFFFAOYSA-N 1 0 309.757 2.750 20 5 DFBDRO CCC(=O)c1ccc(NC[C@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000359482033 427869206 /nfs/dbraw/zinc/86/92/06/427869206.db2.gz NBGZSZGYZKTKCS-OAHLLOKOSA-N 1 0 305.378 2.940 20 5 DFBDRO CCC(=O)c1ccc(NC[C@@H](C2CC2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000359482030 427869926 /nfs/dbraw/zinc/86/99/26/427869926.db2.gz NBGZSZGYZKTKCS-HNNXBMFYSA-N 1 0 305.378 2.940 20 5 DFBDRO CC(C)(NC(=O)c1ccc2c[nH+]cn2c1)c1ccc([N+](=O)[O-])cc1 ZINC000339909697 427870302 /nfs/dbraw/zinc/87/03/02/427870302.db2.gz FGJYSNXRKYQHGE-UHFFFAOYSA-N 1 0 324.340 2.908 20 5 DFBDRO CC(C)[N@@H+]1C[C@@H](C)[C@H](Nc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000302870267 427881979 /nfs/dbraw/zinc/88/19/79/427881979.db2.gz BKPUELGPDCZCRX-BXUZGUMPSA-N 1 0 304.394 2.703 20 5 DFBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000355777559 427885869 /nfs/dbraw/zinc/88/58/69/427885869.db2.gz CDHAUPBSAANHDX-AGIUHOORSA-N 1 0 305.378 2.900 20 5 DFBDRO C[N@@H+]1CCCC12CCN(Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000359516416 427886277 /nfs/dbraw/zinc/88/62/77/427886277.db2.gz RDUQWBPSYJFUTR-UHFFFAOYSA-N 1 0 307.369 2.794 20 5 DFBDRO CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000355781188 427888424 /nfs/dbraw/zinc/88/84/24/427888424.db2.gz PJENUOYIWMDRPV-JSGCOSHPSA-N 1 0 307.394 2.939 20 5 DFBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000359524820 427891138 /nfs/dbraw/zinc/89/11/38/427891138.db2.gz FSIDVQUCMJPAHS-AWEZNQCLSA-N 1 0 323.368 2.680 20 5 DFBDRO CC(C)OCC[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000349907281 427895109 /nfs/dbraw/zinc/89/51/09/427895109.db2.gz HUGNHXVMSWMJGD-INIZCTEOSA-N 1 0 322.405 2.735 20 5 DFBDRO CCOCC[N@@H+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1CC ZINC000303656223 427904900 /nfs/dbraw/zinc/90/49/00/427904900.db2.gz LSTYWLLDYGISAG-HNNXBMFYSA-N 1 0 321.421 2.840 20 5 DFBDRO CC1=C[C@@H](C)C[N@H+](CCC(=O)Nc2ccccc2[N+](=O)[O-])C1 ZINC000337464709 427917092 /nfs/dbraw/zinc/91/70/92/427917092.db2.gz MCWAOIITAYFTQH-GFCCVEGCSA-N 1 0 303.362 2.821 20 5 DFBDRO Cc1cc[nH+]c(NC[C@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)c1 ZINC000369504059 427982688 /nfs/dbraw/zinc/98/26/88/427982688.db2.gz QSSDBKLIFMKIKJ-LLVKDONJSA-N 1 0 319.390 2.693 20 5 DFBDRO Cc1cc[nH+]c(NC[C@@H]2CCN(c3ncc([N+](=O)[O-])s3)C2)c1 ZINC000369504060 427983203 /nfs/dbraw/zinc/98/32/03/427983203.db2.gz QSSDBKLIFMKIKJ-NSHDSACASA-N 1 0 319.390 2.693 20 5 DFBDRO CCn1nc(C)c([N+](=O)[O-])c1NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000359592671 427926948 /nfs/dbraw/zinc/92/69/48/427926948.db2.gz OWMGSJLRZGNIFR-ZDUSSCGKSA-N 1 0 309.414 2.652 20 5 DFBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(F)(F)F ZINC000345854330 427932509 /nfs/dbraw/zinc/93/25/09/427932509.db2.gz NBTMYCVCRNXZSY-ZYHUDNBSSA-N 1 0 306.284 2.695 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345875408 427936378 /nfs/dbraw/zinc/93/63/78/427936378.db2.gz BKQCMPRRYBHVKL-RYUDHWBXSA-N 1 0 306.366 2.541 20 5 DFBDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000345875407 427936617 /nfs/dbraw/zinc/93/66/17/427936617.db2.gz BKQCMPRRYBHVKL-NWDGAFQWSA-N 1 0 306.366 2.541 20 5 DFBDRO CC[N@H+](CCNC(=O)Nc1cc(F)cc([N+](=O)[O-])c1)C(C)C ZINC000347222639 272750943 /nfs/dbraw/zinc/75/09/43/272750943.db2.gz FEEIGIOYRGQPNT-UHFFFAOYSA-N 1 0 312.345 2.586 20 5 DFBDRO Cc1nn(C)c(NCCCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000347325060 272773381 /nfs/dbraw/zinc/77/33/81/272773381.db2.gz VOTBTRVGZCFUMO-UHFFFAOYSA-N 1 0 309.414 2.705 20 5 DFBDRO C[N@@H+]1CCC[C@H]1[C@H]1CCCN1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000369764356 428055839 /nfs/dbraw/zinc/05/58/39/428055839.db2.gz BRYYQHCPAZNICM-JKSUJKDBSA-N 1 0 307.369 2.793 20 5 DFBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000369582910 428008246 /nfs/dbraw/zinc/00/82/46/428008246.db2.gz FPWNCJUWIJZYMV-ARFHVFGLSA-N 1 0 320.389 2.719 20 5 DFBDRO [NH3+][C@H]1CCCN(Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000346068278 428009063 /nfs/dbraw/zinc/00/90/63/428009063.db2.gz LWKIDZLLHHCPOC-ZDUSSCGKSA-N 1 0 301.346 2.778 20 5 DFBDRO COCCN1CC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000341208908 428013267 /nfs/dbraw/zinc/01/32/67/428013267.db2.gz FTGFMFWAERXMTF-HNNXBMFYSA-N 1 0 321.421 2.529 20 5 DFBDRO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc([N+](=O)[O-])c1 ZINC000356249681 428087264 /nfs/dbraw/zinc/08/72/64/428087264.db2.gz HBOZEZAZHKYSMU-CQSZACIVSA-N 1 0 319.405 2.898 20 5 DFBDRO O=C(N[C@@H]1CCC[NH2+]CC1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000369940304 428093363 /nfs/dbraw/zinc/09/33/63/428093363.db2.gz RXWLYADHPNWOMY-LLVKDONJSA-N 1 0 319.386 2.681 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000356295956 428111217 /nfs/dbraw/zinc/11/12/17/428111217.db2.gz ZVUWBWBCMAXQAP-DUVNUKRYSA-N 1 0 306.362 2.584 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000370112757 428137899 /nfs/dbraw/zinc/13/78/99/428137899.db2.gz QAGPMSSCXDZLHA-UHFFFAOYSA-N 1 0 317.389 2.650 20 5 DFBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cn2ccccc2n1 ZINC000352550202 428147707 /nfs/dbraw/zinc/14/77/07/428147707.db2.gz LEGDCQDEQCCYGS-UHFFFAOYSA-N 1 0 310.357 2.917 20 5 DFBDRO COc1ncccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000352571487 428154767 /nfs/dbraw/zinc/15/47/67/428154767.db2.gz VKVWRHROEJCLGT-UHFFFAOYSA-N 1 0 301.346 2.673 20 5 DFBDRO O=C(CC[N@@H+]1C[C@H]2CCCC[C@H]21)Nc1ccc([N+](=O)[O-])cc1 ZINC000377716194 428208161 /nfs/dbraw/zinc/20/81/61/428208161.db2.gz BEAOZORYSOFTDW-IUODEOHRSA-N 1 0 303.362 2.798 20 5 DFBDRO Cc1cc(NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)ccc1[N+](=O)[O-] ZINC000360230065 428213603 /nfs/dbraw/zinc/21/36/03/428213603.db2.gz MAJDWBLZYSEKSU-WMLDXEAASA-N 1 0 319.405 2.816 20 5 DFBDRO Cc1noc(C)c1CCN1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352712381 428216654 /nfs/dbraw/zinc/21/66/54/428216654.db2.gz ZUKONTXRGOYBSN-UHFFFAOYSA-N 1 0 317.345 2.637 20 5 DFBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000377778557 428225297 /nfs/dbraw/zinc/22/52/97/428225297.db2.gz KFVFRRDXQZEZIG-SNVBAGLBSA-N 1 0 306.753 2.618 20 5 DFBDRO COCC[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414211657 428235432 /nfs/dbraw/zinc/23/54/32/428235432.db2.gz VSLIRHZAWCBOMT-CHWSQXEVSA-N 1 0 323.393 2.574 20 5 DFBDRO CCn1ccc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000414206631 428235723 /nfs/dbraw/zinc/23/57/23/428235723.db2.gz JESOQQMFQRITSE-ZDUSSCGKSA-N 1 0 302.378 2.922 20 5 DFBDRO Cc1nc(C2CCN(Cc3cc(F)ccc3[N+](=O)[O-])CC2)n[nH]1 ZINC000370378064 428195953 /nfs/dbraw/zinc/19/59/53/428195953.db2.gz WYICSFIFIVHZLW-UHFFFAOYSA-N 1 0 319.340 2.540 20 5 DFBDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000346501436 428197979 /nfs/dbraw/zinc/19/79/79/428197979.db2.gz ZLFQJWVYPGQLRJ-NEPJUHHUSA-N 1 0 320.393 2.850 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@@]2(C)CCCO)ccc1[N+](=O)[O-] ZINC000352777345 428242690 /nfs/dbraw/zinc/24/26/90/428242690.db2.gz HDNBXKYQCJIKHW-INIZCTEOSA-N 1 0 308.378 2.730 20 5 DFBDRO CCOCCOCCN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000346656766 428259022 /nfs/dbraw/zinc/25/90/22/428259022.db2.gz QXVGMAVYZPGJID-UHFFFAOYSA-N 1 0 316.785 2.733 20 5 DFBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC)C2)cc1[N+](=O)[O-] ZINC000414342740 428262341 /nfs/dbraw/zinc/26/23/41/428262341.db2.gz MSZGMGSPOGSBBX-OCCSQVGLSA-N 1 0 307.394 2.738 20 5 DFBDRO COCC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414476496 428312108 /nfs/dbraw/zinc/31/21/08/428312108.db2.gz AEKNSAQVEFSWPJ-SNVBAGLBSA-N 1 0 318.320 2.958 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000378131867 428317002 /nfs/dbraw/zinc/31/70/02/428317002.db2.gz GTCNNCUVNYUPCR-UONOGXRCSA-N 1 0 304.394 2.751 20 5 DFBDRO COC(=O)[C@]12C[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]1CCCC2 ZINC000342149069 428323563 /nfs/dbraw/zinc/32/35/63/428323563.db2.gz HRGDICAJMWPYFN-WMLDXEAASA-N 1 0 318.373 2.760 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000414515860 428328174 /nfs/dbraw/zinc/32/81/74/428328174.db2.gz NTMWDTAJDPASCX-AGIUHOORSA-N 1 0 308.378 2.897 20 5 DFBDRO CCC[NH+]1CCN(c2cc(C(F)(F)F)ncc2[N+](=O)[O-])CC1 ZINC000278310570 273614243 /nfs/dbraw/zinc/61/42/43/273614243.db2.gz HDZLGVHNQSGERS-UHFFFAOYSA-N 1 0 318.299 2.541 20 5 DFBDRO COc1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC ZINC000414587809 428349917 /nfs/dbraw/zinc/34/99/17/428349917.db2.gz QBEPFGFXWRYJGS-VXGBXAGGSA-N 1 0 318.329 2.851 20 5 DFBDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765944 428397880 /nfs/dbraw/zinc/39/78/80/428397880.db2.gz GSABIACGGYCOMN-BXUZGUMPSA-N 1 0 301.346 2.776 20 5 DFBDRO C[C@H]1[C@H]([NH3+])CCN1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769597 428398951 /nfs/dbraw/zinc/39/89/51/428398951.db2.gz MJYRWZJFVNLAID-XHDPSFHLSA-N 1 0 301.346 2.776 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000342340171 428408988 /nfs/dbraw/zinc/40/89/88/428408988.db2.gz POXVKCCJKBENKU-KBPBESRZSA-N 1 0 319.405 2.955 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000378490069 428411188 /nfs/dbraw/zinc/41/11/88/428411188.db2.gz QIVGTFSXWOLTSD-AWEZNQCLSA-N 1 0 302.334 2.534 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[C@@H](CO)C1 ZINC000342239824 428364580 /nfs/dbraw/zinc/36/45/80/428364580.db2.gz GOQMMXGGLVEJTB-ZIAGYGMSSA-N 1 0 322.405 2.882 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc(-c2ccc([N+](=O)[O-])c(OC(C)C)c2)n1 ZINC000414652308 428364575 /nfs/dbraw/zinc/36/45/75/428364575.db2.gz WBWVMIYCMMSMBE-JTQLQIEISA-N 1 0 320.349 2.582 20 5 DFBDRO CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414647023 428366021 /nfs/dbraw/zinc/36/60/21/428366021.db2.gz PXWDBJHUCUVEHM-YPMHNXCESA-N 1 0 318.377 2.865 20 5 DFBDRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000414662940 428366786 /nfs/dbraw/zinc/36/67/86/428366786.db2.gz RQXIXQDJVURFOY-YPMHNXCESA-N 1 0 306.366 2.637 20 5 DFBDRO Cc1ccc(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000414662932 428367557 /nfs/dbraw/zinc/36/75/57/428367557.db2.gz RQXIXQDJVURFOY-AAEUAGOBSA-N 1 0 306.366 2.637 20 5 DFBDRO [NH3+]C1(CNCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000414881816 428443153 /nfs/dbraw/zinc/44/31/53/428443153.db2.gz LEWSHKGSSPXICI-UHFFFAOYSA-N 1 0 301.346 2.826 20 5 DFBDRO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CCCCCC[C@H]32)c([N+](=O)[O-])c1 ZINC000372590556 428470431 /nfs/dbraw/zinc/47/04/31/428470431.db2.gz RHSOAYLURCYWIH-DZGCQCFKSA-N 1 0 317.389 2.848 20 5 DFBDRO CC1(C)CCC[NH2+][C@@H]1CNC/C=C\c1ccccc1[N+](=O)[O-] ZINC000414920887 428457433 /nfs/dbraw/zinc/45/74/33/428457433.db2.gz AKMFVMURPXJJJX-KQQSKNTNSA-N 1 0 303.406 2.976 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2noc(C[N@@H+]3CC[C@H](C4CC4)C3)n2)cc1 ZINC000372339569 428430992 /nfs/dbraw/zinc/43/09/92/428430992.db2.gz OGFKAKPQBWWUQK-ZDUSSCGKSA-N 1 0 314.345 2.877 20 5 DFBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1OC(F)F)C1CC1 ZINC000357322424 428482030 /nfs/dbraw/zinc/48/20/30/428482030.db2.gz HSQBWLMEQZWIOI-GFCCVEGCSA-N 1 0 315.320 2.948 20 5 DFBDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12 ZINC000342941493 428491317 /nfs/dbraw/zinc/49/13/17/428491317.db2.gz XBJZGRVHXSWCTD-NSHDSACASA-N 1 0 318.377 2.536 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC(c2ncc[nH]2)CC1 ZINC000360954596 428509372 /nfs/dbraw/zinc/50/93/72/428509372.db2.gz RZRXRERRNCLGER-UHFFFAOYSA-N 1 0 314.345 2.905 20 5 DFBDRO [NH3+][C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)C[C@H]1c1cccc(F)c1 ZINC000415121995 428527710 /nfs/dbraw/zinc/52/77/10/428527710.db2.gz JAOFUPJATJZREE-DLBZAZTESA-N 1 0 315.348 2.661 20 5 DFBDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000347156152 428472908 /nfs/dbraw/zinc/47/29/08/428472908.db2.gz OBKNXIHWOCPPMN-UHFFFAOYSA-N 1 0 322.409 2.918 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000415477501 428585200 /nfs/dbraw/zinc/58/52/00/428585200.db2.gz BICUSDKBUWNKNH-BONVTDFDSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415486373 428586889 /nfs/dbraw/zinc/58/68/89/428586889.db2.gz RQSYVFOUOIRSNO-ZDUSSCGKSA-N 1 0 320.393 2.804 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415483513 428587555 /nfs/dbraw/zinc/58/75/55/428587555.db2.gz MVESESAQYMNDOT-LBPRGKRZSA-N 1 0 320.393 2.803 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@](C)(F)C1 ZINC000347343726 428555374 /nfs/dbraw/zinc/55/53/74/428555374.db2.gz GZHRHSSDMNDQLT-OAHLLOKOSA-N 1 0 309.341 2.666 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000358292089 428594382 /nfs/dbraw/zinc/59/43/82/428594382.db2.gz GXKUTFBEAXLRLD-ZFWWWQNUSA-N 1 0 320.389 2.974 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000415294065 428563384 /nfs/dbraw/zinc/56/33/84/428563384.db2.gz KCVMHQUCZRNONP-CYBMUJFWSA-N 1 0 320.393 2.817 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000347375802 428565849 /nfs/dbraw/zinc/56/58/49/428565849.db2.gz SAGSPVHEJPJLMX-XETPBLJFSA-N 1 0 317.389 2.586 20 5 DFBDRO CC[NH+](CC)C[C@@H](C)Nc1ncnc2cccc([N+](=O)[O-])c21 ZINC000347436739 428577876 /nfs/dbraw/zinc/57/78/76/428577876.db2.gz UWDPQOGQKLVEEL-LLVKDONJSA-N 1 0 303.366 2.680 20 5 DFBDRO CC[NH2+]CC1CCN(C(=O)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000415421351 428579872 /nfs/dbraw/zinc/57/98/72/428579872.db2.gz USDRTFIMODJOGH-UHFFFAOYSA-N 1 0 320.393 2.757 20 5 DFBDRO C[NH2+]C[C@H]1CCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000131228927 273968143 /nfs/dbraw/zinc/96/81/43/273968143.db2.gz ARABQXRGLQBGHT-SNVBAGLBSA-N 1 0 303.284 2.802 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1NC(=O)NCC([NH3+])(CC)CC ZINC000415649255 428610358 /nfs/dbraw/zinc/61/03/58/428610358.db2.gz CZAYZPLPMYSAIF-UHFFFAOYSA-N 1 0 324.381 2.633 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000408172249 428613381 /nfs/dbraw/zinc/61/33/81/428613381.db2.gz UJVVOPTXCXBGHU-KGLIPLIRSA-N 1 0 304.394 2.527 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1 ZINC000408171911 428613897 /nfs/dbraw/zinc/61/38/97/428613897.db2.gz PIQZJNUGQXFYMD-UONOGXRCSA-N 1 0 304.394 2.527 20 5 DFBDRO Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000408306352 428638385 /nfs/dbraw/zinc/63/83/85/428638385.db2.gz CORNUJDWGSRSKJ-CHWSQXEVSA-N 1 0 320.393 2.768 20 5 DFBDRO COc1cc(N2CCC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])cc1F ZINC000276970184 274096743 /nfs/dbraw/zinc/09/67/43/274096743.db2.gz DPTQBHDERKYPKI-NSHDSACASA-N 1 0 311.357 2.663 20 5 DFBDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000295832588 274228970 /nfs/dbraw/zinc/22/89/70/274228970.db2.gz WEJBUCJKDVRQDG-DTWKUNHWSA-N 1 0 306.284 2.720 20 5 DFBDRO O=[N+]([O-])c1ccc(NCC2([NH+]3CCSCC3)CCCC2)cn1 ZINC000358758066 428661399 /nfs/dbraw/zinc/66/13/99/428661399.db2.gz OVFIPIKZJOSQNE-UHFFFAOYSA-N 1 0 322.434 2.763 20 5 DFBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H](C2CC2)O1 ZINC000348221043 428662238 /nfs/dbraw/zinc/66/22/38/428662238.db2.gz DHOLSLWIYYLKJW-GUYCJALGSA-N 1 0 320.389 2.863 20 5 DFBDRO C[C@@H]1CN(c2ccc(Br)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000094342358 274362184 /nfs/dbraw/zinc/36/21/84/274362184.db2.gz YEHZJRSETHBLEG-SCZZXKLOSA-N 1 0 314.183 2.531 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1)[NH+](C)C ZINC000362349288 428714395 /nfs/dbraw/zinc/71/43/95/428714395.db2.gz UEFZIQAWACMCBR-NSHDSACASA-N 1 0 318.352 3.158 20 5 DFBDRO C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000353793489 428717926 /nfs/dbraw/zinc/71/79/26/428717926.db2.gz JURCTMIMRIIUSG-PJODQICGSA-N 1 0 319.405 2.939 20 5 DFBDRO CCc1nccn1C[C@@H]1CCCN1c1ccc([N+](=O)[O-])c(C)n1 ZINC000362255416 428679144 /nfs/dbraw/zinc/67/91/44/428679144.db2.gz HICJCTFTZIIBHL-ZDUSSCGKSA-N 1 0 315.377 2.726 20 5 DFBDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)C1 ZINC000362286233 428687286 /nfs/dbraw/zinc/68/72/86/428687286.db2.gz LAWYUCMQQNYVIP-LBPRGKRZSA-N 1 0 323.368 2.538 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NCCC[NH+]1CCCC1 ZINC000353920936 428777575 /nfs/dbraw/zinc/77/75/75/428777575.db2.gz GOHSFFFHQUSEON-UHFFFAOYSA-N 1 0 320.393 2.765 20 5 DFBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000374774117 428747182 /nfs/dbraw/zinc/74/71/82/428747182.db2.gz AHPSXOSUUFPBCI-FMKPAKJESA-N 1 0 319.380 2.650 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000362447645 428748199 /nfs/dbraw/zinc/74/81/99/428748199.db2.gz CQLCCHOERAFLRZ-PBHICJAKSA-N 1 0 320.389 2.865 20 5 DFBDRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000354072109 428847470 /nfs/dbraw/zinc/84/74/70/428847470.db2.gz FDCPGJPNZVHQEH-INIZCTEOSA-N 1 0 315.373 2.839 20 5 DFBDRO CCC[NH+]1CCC(N(C)c2nc(C)cc(C)c2[N+](=O)[O-])CC1 ZINC000359102061 428816316 /nfs/dbraw/zinc/81/63/16/428816316.db2.gz GKYISBCFLUBURN-UHFFFAOYSA-N 1 0 306.410 2.917 20 5 DFBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCc1noc(C)n1 ZINC000348836855 428854332 /nfs/dbraw/zinc/85/43/32/428854332.db2.gz DYCDYZRZRIWNLN-FMIVXFBMSA-N 1 0 316.361 2.864 20 5 DFBDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1cc(Br)ccc1[N+](=O)[O-] ZINC000229611623 274630858 /nfs/dbraw/zinc/63/08/58/274630858.db2.gz YNOILBUSIRQGHJ-SCZZXKLOSA-N 1 0 314.183 2.910 20 5 DFBDRO CC(C)(C)c1n[nH]cc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348892127 428869608 /nfs/dbraw/zinc/86/96/08/428869608.db2.gz HWAXNDKKNOLUPF-UHFFFAOYSA-N 1 0 317.393 2.581 20 5 DFBDRO CCOc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348934361 428881931 /nfs/dbraw/zinc/88/19/31/428881931.db2.gz MGSFJKLYUSFXAN-UHFFFAOYSA-N 1 0 315.373 2.959 20 5 DFBDRO CO[C@@](C)([C@@H](C)[NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000411942905 428889890 /nfs/dbraw/zinc/88/98/90/428889890.db2.gz IOLODOJUCSHJNQ-WBMJQRKESA-N 1 0 308.378 2.767 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cc1 ZINC000411949979 428892092 /nfs/dbraw/zinc/89/20/92/428892092.db2.gz QUSLOAACLHYSQB-ZWKOTPCHSA-N 1 0 312.369 2.945 20 5 DFBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000363451925 428920459 /nfs/dbraw/zinc/92/04/59/428920459.db2.gz YSVPJTFDMBXDKB-HUUCEWRRSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412044617 428924255 /nfs/dbraw/zinc/92/42/55/428924255.db2.gz OUPLQIFTDUGZFS-LBPRGKRZSA-N 1 0 305.378 2.962 20 5 DFBDRO Cc1nnc([C@H]2CC[N@@H+]([C@H](C)c3cc([N+](=O)[O-])ccc3C)C2)[nH]1 ZINC000412043876 428924749 /nfs/dbraw/zinc/92/47/49/428924749.db2.gz PUXWOAQJSAELIV-YPMHNXCESA-N 1 0 315.377 2.880 20 5 DFBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412064081 428936423 /nfs/dbraw/zinc/93/64/23/428936423.db2.gz BPTZIMKCEZDVKM-UONOGXRCSA-N 1 0 322.405 2.975 20 5 DFBDRO COC(=O)[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000412072737 428938622 /nfs/dbraw/zinc/93/86/22/428938622.db2.gz PWKMOXSZTSYXHY-LRDDRELGSA-N 1 0 306.362 2.931 20 5 DFBDRO O=[N+]([O-])c1ccc(-c2csc(NCC[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420185600 428947216 /nfs/dbraw/zinc/94/72/16/428947216.db2.gz KANMFEQLOHQVON-NSHDSACASA-N 1 0 318.402 3.130 20 5 DFBDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1Nc1ccccc1[N+](=O)[O-] ZINC000363587439 428948579 /nfs/dbraw/zinc/94/85/79/428948579.db2.gz NOENDGMCNGPVOS-QLFBSQMISA-N 1 0 319.405 2.896 20 5 DFBDRO Cc1cn2c(n1)[C@H](CNc1cc(N)ccc1[N+](=O)[O-])CCC2 ZINC000375705341 428949820 /nfs/dbraw/zinc/94/98/20/428949820.db2.gz PXBNAVQHCYNEKS-NSHDSACASA-N 1 0 301.350 2.671 20 5 DFBDRO COC(=O)[C@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000412091974 428949979 /nfs/dbraw/zinc/94/99/79/428949979.db2.gz CQJVGRSUFHQFNI-MRXNPFEDSA-N 1 0 306.362 2.678 20 5 DFBDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000420242647 428950277 /nfs/dbraw/zinc/95/02/77/428950277.db2.gz PFJIOVLRLVYQSL-ZWNOBZJWSA-N 1 0 318.402 3.128 20 5 DFBDRO [NH3+][C@@H]1CCC[C@@H](Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1 ZINC000420238643 428950670 /nfs/dbraw/zinc/95/06/70/428950670.db2.gz NWTYMJHNZVOKFS-VXGBXAGGSA-N 1 0 318.402 3.400 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)cc1[N+](=O)[O-] ZINC000359396826 428953423 /nfs/dbraw/zinc/95/34/23/428953423.db2.gz NVUIOJAGZOBLCC-CZUORRHYSA-N 1 0 322.405 2.731 20 5 DFBDRO O=[N+]([O-])c1cccc2c1ccnc2NCCC[C@H]1CCC[NH2+]1 ZINC000420271504 428955870 /nfs/dbraw/zinc/95/58/70/428955870.db2.gz CSVNYKZVKZNCIM-GFCCVEGCSA-N 1 0 300.362 3.087 20 5 DFBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H](O)C(F)(F)F ZINC000349336354 428964387 /nfs/dbraw/zinc/96/43/87/428964387.db2.gz WXXYJWBBZIIMKK-FHMRSRPSSA-N 1 0 304.268 2.511 20 5 DFBDRO Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000375778092 428968630 /nfs/dbraw/zinc/96/86/30/428968630.db2.gz RRQVKJJWVXVBTR-GFCCVEGCSA-N 1 0 318.352 2.847 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451907504 429017435 /nfs/dbraw/zinc/01/74/35/429017435.db2.gz HSIXXMQSUZFTIF-MRXNPFEDSA-N 1 0 306.362 2.606 20 5 DFBDRO Cc1c(C[N@@H+]2CC[C@H]([C@@H](O)C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000451913538 429018627 /nfs/dbraw/zinc/01/86/27/429018627.db2.gz SUGYKSMDVNUBHR-WCQYABFASA-N 1 0 318.295 2.648 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)c1 ZINC000433301078 429020755 /nfs/dbraw/zinc/02/07/55/429020755.db2.gz UZNAKCMRCIUYQD-ZDUSSCGKSA-N 1 0 320.780 2.934 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000421770962 429031049 /nfs/dbraw/zinc/03/10/49/429031049.db2.gz LDIVOOZAPWKGJV-CQSZACIVSA-N 1 0 319.405 2.625 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000421790775 429032222 /nfs/dbraw/zinc/03/22/22/429032222.db2.gz YOGYORIIFGJAEL-STQMWFEESA-N 1 0 317.389 2.567 20 5 DFBDRO COc1cc(C[N@H+](C)[C@@H](CO)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000451784657 428973243 /nfs/dbraw/zinc/97/32/43/428973243.db2.gz DVQHLEWGXDGHLX-CYBMUJFWSA-N 1 0 310.394 2.832 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[N@@H+]2CCC[C@H](c3ccccc3)C2)c1 ZINC000433076700 428990727 /nfs/dbraw/zinc/99/07/27/428990727.db2.gz LGACNULNTQLKBP-HNNXBMFYSA-N 1 0 300.362 2.671 20 5 DFBDRO O=C(C[NH2+][C@H]1CC2CCC1CC2)Nc1ccccc1[N+](=O)[O-] ZINC000433079832 428994271 /nfs/dbraw/zinc/99/42/71/428994271.db2.gz YVZXQBWVBXURFW-YIZWMMSDSA-N 1 0 303.362 2.702 20 5 DFBDRO CC(C)c1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1[N+](=O)[O-] ZINC000423708882 429002503 /nfs/dbraw/zinc/00/25/03/429002503.db2.gz NFLSKSPKMZDITH-CQSZACIVSA-N 1 0 305.378 2.589 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000421679156 429008279 /nfs/dbraw/zinc/00/82/79/429008279.db2.gz HWADUYTUNYRGFV-UHFFFAOYSA-N 1 0 305.378 2.506 20 5 DFBDRO CCCN1C[C@H](C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1=O ZINC000421869962 429042583 /nfs/dbraw/zinc/04/25/83/429042583.db2.gz FFILCWFYQSHMOC-KGLIPLIRSA-N 1 0 319.405 2.812 20 5 DFBDRO CC(C)(C)C[C@H]1CC[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)C1 ZINC000452086094 429055455 /nfs/dbraw/zinc/05/54/55/429055455.db2.gz WYFHEGPLPAJSFS-CYBMUJFWSA-N 1 0 307.394 2.515 20 5 DFBDRO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000423352726 429071575 /nfs/dbraw/zinc/07/15/75/429071575.db2.gz AKCZCIQGTRNSBJ-OHFALNGGSA-N 1 0 317.433 2.894 20 5 DFBDRO CCOc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423397080 429078634 /nfs/dbraw/zinc/07/86/34/429078634.db2.gz ULGNZPVOWKIOSG-OBJOEFQTSA-N 1 0 307.394 2.785 20 5 DFBDRO O=[N+]([O-])c1ccn(CC[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000376226477 429081074 /nfs/dbraw/zinc/08/10/74/429081074.db2.gz NUHRIGXCQUEIOC-INIZCTEOSA-N 1 0 314.389 2.746 20 5 DFBDRO C[NH+](C)[C@H](CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)C1CC1 ZINC000413126568 429144164 /nfs/dbraw/zinc/14/41/64/429144164.db2.gz UAZCZISGMBNSHW-LLVKDONJSA-N 1 0 318.299 2.761 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@@H+]2C2CCCCC2)nc1 ZINC000435594378 429151362 /nfs/dbraw/zinc/15/13/62/429151362.db2.gz QVGFZVGQNOXKTC-CQSZACIVSA-N 1 0 304.394 3.199 20 5 DFBDRO CC[N@@H+]1CC[C@H](N(C)c2ncc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000434959264 429117042 /nfs/dbraw/zinc/11/70/42/429117042.db2.gz KYEJXTKNTSRPAQ-PWSUYJOCSA-N 1 0 312.801 2.952 20 5 DFBDRO CC[C@@H]([NH2+]C[C@@H]1CCN(C)C(=O)C1)c1cccc([N+](=O)[O-])c1 ZINC000424324733 429127099 /nfs/dbraw/zinc/12/70/99/429127099.db2.gz MCOGIMXSQTXTOQ-IUODEOHRSA-N 1 0 305.378 2.504 20 5 DFBDRO C[NH+](C)C1CCN(c2nccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413093062 429135458 /nfs/dbraw/zinc/13/54/58/429135458.db2.gz NIEBFNRADCCBER-UHFFFAOYSA-N 1 0 300.362 2.673 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000376578637 429141035 /nfs/dbraw/zinc/14/10/35/429141035.db2.gz CHEUZZJNKWIWBQ-ZFWWWQNUSA-N 1 0 317.389 2.602 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000487720081 429166185 /nfs/dbraw/zinc/16/61/85/429166185.db2.gz MALBWHJKPVHCGT-GFCCVEGCSA-N 1 0 302.378 2.707 20 5 DFBDRO Cc1cc(C(=O)N2CCC[N@@H+](CC(C)C)CC2)cc([N+](=O)[O-])c1 ZINC000364078532 429167374 /nfs/dbraw/zinc/16/73/74/429167374.db2.gz PDFMLJIFMYPROE-UHFFFAOYSA-N 1 0 319.405 2.707 20 5 DFBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]2(O)CCc3ccccc32)cs1 ZINC000269857245 275033153 /nfs/dbraw/zinc/03/31/53/275033153.db2.gz ZJPNYWLUKHPYCD-OAHLLOKOSA-N 1 0 304.371 2.580 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCC([NH2+]C2CC2)CC1 ZINC000276582470 275034450 /nfs/dbraw/zinc/03/44/50/275034450.db2.gz IPMSBOFRBXAAOM-UHFFFAOYSA-N 1 0 312.373 2.864 20 5 DFBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000276582650 275034465 /nfs/dbraw/zinc/03/44/65/275034465.db2.gz IRXYOOXZTIDUIA-AWEZNQCLSA-N 1 0 312.373 2.818 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CC[C@H]([NH+]3CCCC3)C2)c2ccncc21 ZINC000301158818 275036795 /nfs/dbraw/zinc/03/67/95/275036795.db2.gz RIGMSRBHHBLYMX-ZDUSSCGKSA-N 1 0 312.373 2.818 20 5 DFBDRO COc1cc(N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000488722040 429190008 /nfs/dbraw/zinc/19/00/08/429190008.db2.gz NEPNXUKGNOTTBN-XJKCOSOUSA-N 1 0 319.405 2.770 20 5 DFBDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000495258688 429193173 /nfs/dbraw/zinc/19/31/73/429193173.db2.gz DSKXHCPUNOEFPF-RHSMWYFYSA-N 1 0 322.405 2.847 20 5 DFBDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3ccc([N+](=O)[O-])[nH]3)ccc21 ZINC000456283334 429270658 /nfs/dbraw/zinc/27/06/58/429270658.db2.gz SORTZJOGVMJDPR-CQSZACIVSA-N 1 0 314.345 2.724 20 5 DFBDRO CC(=O)c1ccc([N+](=O)[O-])cc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377172097 275504712 /nfs/dbraw/zinc/50/47/12/275504712.db2.gz PDOZAPQUAZXLGB-OAHLLOKOSA-N 1 0 317.389 2.862 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCN1CCC[C@@H](C)C1 ZINC000449084033 429327203 /nfs/dbraw/zinc/32/72/03/429327203.db2.gz WEMLQXUEVQAHBF-HUUCEWRRSA-N 1 0 305.422 2.847 20 5 DFBDRO COCC(C)(C)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000425515229 429314570 /nfs/dbraw/zinc/31/45/70/429314570.db2.gz QWZWXVWHVAKKGY-AWEZNQCLSA-N 1 0 321.421 2.698 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426454379 429392853 /nfs/dbraw/zinc/39/28/53/429392853.db2.gz OXNORQKDMNIUID-IUODEOHRSA-N 1 0 303.362 2.716 20 5 DFBDRO COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1C ZINC000449351165 429396181 /nfs/dbraw/zinc/39/61/81/429396181.db2.gz YVPOOLHGBBSOFE-NSHDSACASA-N 1 0 317.345 2.571 20 5 DFBDRO Cc1cccc(N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1[N+](=O)[O-] ZINC000517904219 429402759 /nfs/dbraw/zinc/40/27/59/429402759.db2.gz BLWMJNYFTIPZRG-RHSMWYFYSA-N 1 0 319.405 2.626 20 5 DFBDRO CCn1nnc(C)c1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000449168725 429348275 /nfs/dbraw/zinc/34/82/75/429348275.db2.gz DYFAZSGHDHIKDT-LLVKDONJSA-N 1 0 303.366 2.674 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CC(F)(F)C2)n1 ZINC000425936733 429353054 /nfs/dbraw/zinc/35/30/54/429353054.db2.gz OFIUILQOQYTYIY-NEPJUHHUSA-N 1 0 314.336 2.910 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21 ZINC000449191099 429353813 /nfs/dbraw/zinc/35/38/13/429353813.db2.gz OYLCPYLCLOYGRW-ZDUSSCGKSA-N 1 0 305.378 2.508 20 5 DFBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H](O)C(F)(F)F ZINC000449210299 429357932 /nfs/dbraw/zinc/35/79/32/429357932.db2.gz RUMMKKACIXOHNN-GAFUQQFSSA-N 1 0 320.311 2.817 20 5 DFBDRO CC[NH+]1CCC(N(C)C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000491461793 429363124 /nfs/dbraw/zinc/36/31/24/429363124.db2.gz DNBBXRXRPNYKKG-HJWRWDBZSA-N 1 0 317.389 2.551 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CCOCC2 ZINC000449267204 429371054 /nfs/dbraw/zinc/37/10/54/429371054.db2.gz YXAVQQRWCUIQCN-DZGCQCFKSA-N 1 0 304.390 2.932 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000449281341 429376559 /nfs/dbraw/zinc/37/65/59/429376559.db2.gz DFSGXHSGRUIKGV-DOMZBBRYSA-N 1 0 312.369 2.988 20 5 DFBDRO Cc1ccoc1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000426301523 429381356 /nfs/dbraw/zinc/38/13/56/429381356.db2.gz NIUKTALAKCMAAZ-QWHCGFSZSA-N 1 0 304.350 2.966 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cc1 ZINC000366274671 429446511 /nfs/dbraw/zinc/44/65/11/429446511.db2.gz ZHRFOWJDLFTCRV-MRXNPFEDSA-N 1 0 313.357 2.686 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CCCC2(CCC2)C1 ZINC000366338943 429447036 /nfs/dbraw/zinc/44/70/36/429447036.db2.gz IVJPDJXGXZJLRY-CQSZACIVSA-N 1 0 320.389 2.601 20 5 DFBDRO CC[NH+](CC)[C@H](C)CNC(=O)/C=C\c1ccc(F)cc1[N+](=O)[O-] ZINC000492001253 429449181 /nfs/dbraw/zinc/44/91/81/429449181.db2.gz MQOISWCLTRMRGN-ZVTBTPLYSA-N 1 0 323.368 2.594 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449587855 429456540 /nfs/dbraw/zinc/45/65/40/429456540.db2.gz PGGRTXJYJIOYTG-KGLIPLIRSA-N 1 0 316.405 2.870 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000518706620 429430567 /nfs/dbraw/zinc/43/05/67/429430567.db2.gz PPTZNZNMBNIZGR-HIFRSBDPSA-N 1 0 319.405 2.641 20 5 DFBDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000518773283 429434625 /nfs/dbraw/zinc/43/46/25/429434625.db2.gz FUIFEPUGVXIIGA-WDEREUQCSA-N 1 0 307.394 2.748 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000449498422 429435746 /nfs/dbraw/zinc/43/57/46/429435746.db2.gz LHXRHKWGZMGJIJ-DOMZBBRYSA-N 1 0 308.378 2.850 20 5 DFBDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838323 429530370 /nfs/dbraw/zinc/53/03/70/429530370.db2.gz XKFNRZPSJUMNGM-LYRGGWFBSA-N 1 0 301.390 2.654 20 5 DFBDRO CC[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000519824145 429491697 /nfs/dbraw/zinc/49/16/97/429491697.db2.gz SOZNLOSGNHTAFK-GJZGRUSLSA-N 1 0 322.405 2.893 20 5 DFBDRO O=[N+]([O-])c1ccc(N2CCC[C@]3(CC[NH2+]C3)C2)c2ccncc21 ZINC000520206472 429503549 /nfs/dbraw/zinc/50/35/49/429503549.db2.gz LCWKRKPAXKCHDT-QGZVFWFLSA-N 1 0 312.373 2.723 20 5 DFBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000449788183 429510518 /nfs/dbraw/zinc/51/05/18/429510518.db2.gz DBBYQVSYHLMZIK-ZDUSSCGKSA-N 1 0 308.378 2.588 20 5 DFBDRO COc1ccc(CNCC[N@@H+]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000449783038 429510815 /nfs/dbraw/zinc/51/08/15/429510815.db2.gz MUOPXIBRBLBFON-UHFFFAOYSA-N 1 0 307.394 2.567 20 5 DFBDRO O=[N+]([O-])c1cnn(CC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)c1 ZINC000367049903 429565263 /nfs/dbraw/zinc/56/52/63/429565263.db2.gz KBINFZVRYHDUJS-ZFWWWQNUSA-N 1 0 315.377 2.502 20 5 DFBDRO C[N@@H+]1CC[C@]2(CCN(Cc3c(Cl)cccc3[N+](=O)[O-])C2)C1 ZINC000429020043 429572703 /nfs/dbraw/zinc/57/27/03/429572703.db2.gz MJFURHUNIDYGHL-HNNXBMFYSA-N 1 0 309.797 2.776 20 5 DFBDRO Cc1nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)ncc1[N+](=O)[O-] ZINC000450267706 429589884 /nfs/dbraw/zinc/58/98/84/429589884.db2.gz XQZGZDQOKOLIEC-AWEZNQCLSA-N 1 0 319.340 2.547 20 5 DFBDRO CCSc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000522061193 429577349 /nfs/dbraw/zinc/57/73/49/429577349.db2.gz SGHJQYONROEYRS-UWVGGRQHSA-N 1 0 311.407 2.562 20 5 DFBDRO Cc1cc([N+](=O)[O-])cnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000522107033 429579241 /nfs/dbraw/zinc/57/92/41/429579241.db2.gz SVPSNIFTJDKGDP-UHFFFAOYSA-N 1 0 306.410 2.855 20 5 DFBDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000429160226 429583929 /nfs/dbraw/zinc/58/39/29/429583929.db2.gz HBISGVOIESVKCH-CYBMUJFWSA-N 1 0 307.394 2.605 20 5 DFBDRO CN(CCC[NH+]1CCCC1)C(=O)/C=C\c1ccccc1[N+](=O)[O-] ZINC000492649381 429586640 /nfs/dbraw/zinc/58/66/40/429586640.db2.gz QWHWIHZWXHDSHW-KTKRTIGZSA-N 1 0 317.389 2.552 20 5 DFBDRO CCOc1cc(CN(C)C[C@@H]2CCC[N@@H+]2CC)ccc1[N+](=O)[O-] ZINC000492790151 429616024 /nfs/dbraw/zinc/61/60/24/429616024.db2.gz OREFWWMGZBEKRT-HNNXBMFYSA-N 1 0 321.421 2.910 20 5 DFBDRO COc1ccc(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000429573954 429619395 /nfs/dbraw/zinc/61/93/95/429619395.db2.gz ONTKWMBSBBRWOC-NEPJUHHUSA-N 1 0 321.377 2.662 20 5 DFBDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)C1 ZINC000429580228 429619402 /nfs/dbraw/zinc/61/94/02/429619402.db2.gz UCHWGOIZRQQFSI-OCCSQVGLSA-N 1 0 317.389 2.604 20 5 DFBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000429774195 429633085 /nfs/dbraw/zinc/63/30/85/429633085.db2.gz MEGYOJYIZVPMEH-OCCSQVGLSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)([NH2+]CCC(=O)N1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000429247299 429590788 /nfs/dbraw/zinc/59/07/88/429590788.db2.gz RAWRPBWJHYWVEK-UHFFFAOYSA-N 1 0 319.405 2.822 20 5 DFBDRO CC[C@H](C)[N@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC000450305333 429596479 /nfs/dbraw/zinc/59/64/79/429596479.db2.gz PXCBUUXDFQXDLM-LBPRGKRZSA-N 1 0 302.378 3.285 20 5 DFBDRO CC[N@@H+]1CCCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450327795 429601398 /nfs/dbraw/zinc/60/13/98/429601398.db2.gz MXPZBTWGJVAZDA-UHFFFAOYSA-N 1 0 300.362 2.675 20 5 DFBDRO COC(=O)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C(C)C ZINC000429392924 429604521 /nfs/dbraw/zinc/60/45/21/429604521.db2.gz JXANWEPKAHSDSC-HOTGVXAUSA-N 1 0 320.389 2.657 20 5 DFBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CCC[N@H+]1CCCO ZINC000450597537 429656200 /nfs/dbraw/zinc/65/62/00/429656200.db2.gz PBZFPDSPIYCPGQ-LBPRGKRZSA-N 1 0 313.785 2.507 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1CN(C)CC1([NH+](C)C)CCC1 ZINC000430192409 429660679 /nfs/dbraw/zinc/66/06/79/429660679.db2.gz BUZWRFMDEICQIP-UHFFFAOYSA-N 1 0 307.394 2.520 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000430219071 429662858 /nfs/dbraw/zinc/66/28/58/429662858.db2.gz KQELNPUBSLOWCI-HUUCEWRRSA-N 1 0 322.405 2.832 20 5 DFBDRO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210554 429662923 /nfs/dbraw/zinc/66/29/23/429662923.db2.gz DOKSDCSJMFAVAQ-HOCLYGCPSA-N 1 0 319.405 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000430227919 429665354 /nfs/dbraw/zinc/66/53/54/429665354.db2.gz CPMUEZGHBKVGFV-TZMCWYRMSA-N 1 0 308.378 2.729 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000430219532 429665423 /nfs/dbraw/zinc/66/54/23/429665423.db2.gz OBSZWKMKZIFIKV-MLGOLLRUSA-N 1 0 308.378 2.586 20 5 DFBDRO CC(C)c1ccc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)cc1[N+](=O)[O-] ZINC000297346851 276048693 /nfs/dbraw/zinc/04/86/93/276048693.db2.gz IUVVROOYDMAWQW-BXUZGUMPSA-N 1 0 305.378 2.670 20 5 DFBDRO Cc1cc(N2CC[C@](O)(C(F)F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000450700622 429680831 /nfs/dbraw/zinc/68/08/31/429680831.db2.gz DWMGQOHZDZWVSQ-OAHLLOKOSA-N 1 0 323.299 2.658 20 5 DFBDRO CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)c1ccc(F)cc1F ZINC000130976931 276436246 /nfs/dbraw/zinc/43/62/46/276436246.db2.gz KCHDVPZSPXGPSE-CQSZACIVSA-N 1 0 310.304 2.810 20 5 DFBDRO CCN1CC[NH+](CC(C)(C)Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000450921752 429731757 /nfs/dbraw/zinc/73/17/57/429731757.db2.gz KAKCOZCPMZUAIK-UHFFFAOYSA-N 1 0 320.437 2.731 20 5 DFBDRO CC(C)n1nccc1CN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000527510560 429755163 /nfs/dbraw/zinc/75/51/63/429755163.db2.gz MVJFFBGRNUADNR-UHFFFAOYSA-N 1 0 300.362 2.931 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995505 429762826 /nfs/dbraw/zinc/76/28/26/429762826.db2.gz NBKRIYLXYGSDCQ-AAEUAGOBSA-N 1 0 300.362 2.834 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995506 429763140 /nfs/dbraw/zinc/76/31/40/429763140.db2.gz NBKRIYLXYGSDCQ-DGCLKSJQSA-N 1 0 300.362 2.834 20 5 DFBDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc4c3cccc4[N+](=O)[O-])[C@H]2C1 ZINC000432181109 429807394 /nfs/dbraw/zinc/80/73/94/429807394.db2.gz YUFCUYKLWYBHRQ-LRDDRELGSA-N 1 0 312.373 2.673 20 5 DFBDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1 ZINC000431554636 429768958 /nfs/dbraw/zinc/76/89/58/429768958.db2.gz DGBOUUNNTOHESZ-TZMCWYRMSA-N 1 0 322.409 2.553 20 5 DFBDRO C[C@@H]1[C@H](CC(F)(F)F)C[C@H](C)[N@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000451144706 429776084 /nfs/dbraw/zinc/77/60/84/429776084.db2.gz JFNZICLKYJQKDS-AXFHLTTASA-N 1 0 320.315 2.843 20 5 DFBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368104953 429788167 /nfs/dbraw/zinc/78/81/67/429788167.db2.gz MCIWBJIZMVOIBK-OCCSQVGLSA-N 1 0 314.389 2.786 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000368327307 429832276 /nfs/dbraw/zinc/83/22/76/429832276.db2.gz KFJXGOGQMQQCPM-OAHLLOKOSA-N 1 0 312.373 2.649 20 5 DFBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](C[C@H](O)C(F)(F)F)C2)cc1 ZINC000451543713 429848114 /nfs/dbraw/zinc/84/81/14/429848114.db2.gz CFMONIDGMVAVGD-AAEUAGOBSA-N 1 0 318.295 2.697 20 5 DFBDRO CCO[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000451552540 429851347 /nfs/dbraw/zinc/85/13/47/429851347.db2.gz YUANJVVAOLGXFD-XJKSGUPXSA-N 1 0 308.378 2.721 20 5 DFBDRO CCO[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451552858 429851637 /nfs/dbraw/zinc/85/16/37/429851637.db2.gz ZEOQDASIIOMTIE-ZFWWWQNUSA-N 1 0 308.378 2.721 20 5 DFBDRO [NH2+]=C(NO)[C@H]1CCCCN1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000368523407 429861206 /nfs/dbraw/zinc/86/12/06/429861206.db2.gz FSLRISRYWBUNJH-LLVKDONJSA-N 1 0 312.757 2.559 20 5 DFBDRO C[NH+](C)[C@H]1CCCN(c2ccnc3c2cccc3[N+](=O)[O-])C1 ZINC000432317396 429812936 /nfs/dbraw/zinc/81/29/36/429812936.db2.gz IEMJBLVOSYCUBW-LBPRGKRZSA-N 1 0 300.362 2.673 20 5 DFBDRO CS[C@@H]1CN(c2c(Cl)cccc2[N+](=O)[O-])C[C@H]1[NH+](C)C ZINC000432332257 429814628 /nfs/dbraw/zinc/81/46/28/429814628.db2.gz VWKRPDRQIBYWJY-VXGBXAGGSA-N 1 0 315.826 2.730 20 5 DFBDRO CN(CC1CC[NH+](C)CC1)c1ccnc2c1cccc2[N+](=O)[O-] ZINC000432322409 429815024 /nfs/dbraw/zinc/81/50/24/429815024.db2.gz LSMVHHCCBVQYKP-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO Cc1c(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cccc1[N+](=O)[O-] ZINC000494515183 429878117 /nfs/dbraw/zinc/87/81/17/429878117.db2.gz YCEVNEILRILWSI-VNQPRFMTSA-N 1 0 302.374 2.950 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1Cc1cc([N+](=O)[O-])ccc1OC ZINC000451726722 429880076 /nfs/dbraw/zinc/88/00/76/429880076.db2.gz VTMGXOHVPVXTCS-AWEZNQCLSA-N 1 0 307.394 2.520 20 5 DFBDRO O=c1cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c2c(ccc3ccccc32)o1 ZINC000368800299 429895463 /nfs/dbraw/zinc/89/54/63/429895463.db2.gz MZUXKLTVOFIWNX-QGZVFWFLSA-N 1 0 321.376 2.903 20 5 DFBDRO O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CCC12CCCCC2 ZINC000368896052 429900571 /nfs/dbraw/zinc/90/05/71/429900571.db2.gz LKPNCNLFZHPHFU-AWEZNQCLSA-N 1 0 320.389 2.743 20 5 DFBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000369004879 429906585 /nfs/dbraw/zinc/90/65/85/429906585.db2.gz RUOVLCRCCFIYKA-BBRMVZONSA-N 1 0 305.378 2.508 20 5 DFBDRO CC(=O)c1ccc(N2CCC[N@@H+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000369309611 429923235 /nfs/dbraw/zinc/92/32/35/429923235.db2.gz HHJBUZKGTVRSTK-UHFFFAOYSA-N 1 0 319.405 2.966 20 5 DFBDRO CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000558492637 429975437 /nfs/dbraw/zinc/97/54/37/429975437.db2.gz DNBILEOQOFFCQZ-WEKMIXOTSA-N 1 0 312.373 2.868 20 5 DFBDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000558690201 429985590 /nfs/dbraw/zinc/98/55/90/429985590.db2.gz APMZWOTWIYHOTO-KBPBESRZSA-N 1 0 319.405 2.546 20 5 DFBDRO O=[N+]([O-])c1ccccc1OCCN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000557329193 429937591 /nfs/dbraw/zinc/93/75/91/429937591.db2.gz GAQHDGLLLYRGOV-HUUCEWRRSA-N 1 0 319.405 2.580 20 5 DFBDRO O=[N+]([O-])c1ccc(F)cc1NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369480946 429953007 /nfs/dbraw/zinc/95/30/07/429953007.db2.gz DVPXQULIJFAQLY-DOMZBBRYSA-N 1 0 323.368 2.647 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c3c(ccc2[N+](=O)[O-])NCC3)C1 ZINC000559625891 430010332 /nfs/dbraw/zinc/01/03/32/430010332.db2.gz UMBVPDAOYFCUOC-LBPRGKRZSA-N 1 0 304.394 2.705 20 5 DFBDRO Cn1cc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])CC2(C)C)cn1 ZINC000559641046 430012602 /nfs/dbraw/zinc/01/26/02/430012602.db2.gz VFUQVXBJAUGUOW-HNNXBMFYSA-N 1 0 314.389 2.954 20 5 DFBDRO CCCC[C@@H](C)[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000562058826 430106225 /nfs/dbraw/zinc/10/62/25/430106225.db2.gz SNWMUPRJORJLQX-KGLIPLIRSA-N 1 0 310.394 2.845 20 5 DFBDRO CC(C)Oc1nc(N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000581081744 430177419 /nfs/dbraw/zinc/17/74/19/430177419.db2.gz FDSIYGAYPVGANQ-QWHCGFSZSA-N 1 0 322.409 2.553 20 5 DFBDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000562299573 430117149 /nfs/dbraw/zinc/11/71/49/430117149.db2.gz LSAHEGSHFWSIHE-KBPBESRZSA-N 1 0 319.405 2.545 20 5 DFBDRO CCOc1cc(C[NH+]2CCC(CCO)CC2)ccc1[N+](=O)[O-] ZINC000562360463 430123595 /nfs/dbraw/zinc/12/35/95/430123595.db2.gz NPMOXCFGUPEJAG-UHFFFAOYSA-N 1 0 308.378 2.588 20 5 DFBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1nc2c(cc1[N+](=O)[O-])CCCC2 ZINC000580547159 430133059 /nfs/dbraw/zinc/13/30/59/430133059.db2.gz WCTOMCHIMLARJI-XHDPSFHLSA-N 1 0 316.405 2.763 20 5 DFBDRO CC(=O)c1ccc(N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c([N+](=O)[O-])c1 ZINC000286536587 277111578 /nfs/dbraw/zinc/11/15/78/277111578.db2.gz VIZMCOKXZKWUFM-SWLSCSKDSA-N 1 0 317.389 2.860 20 5 DFBDRO O=[N+]([O-])c1cnc(N2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000581237557 430190747 /nfs/dbraw/zinc/19/07/47/430190747.db2.gz DIVUHHHHJCYVRR-UHFFFAOYSA-N 1 0 308.357 2.584 20 5 DFBDRO O=[N+]([O-])c1cc2c(nc1N1CC[C@H]([NH+]3CCCC3)C1)CCCC2 ZINC000581881529 430247383 /nfs/dbraw/zinc/24/73/83/430247383.db2.gz UOWMVTRMCUBPCE-AWEZNQCLSA-N 1 0 316.405 2.543 20 5 DFBDRO O=C1CCCN1[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000582132846 430271979 /nfs/dbraw/zinc/27/19/79/430271979.db2.gz AJUAEJAQJOLXAP-GJZGRUSLSA-N 1 0 317.389 2.618 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000581736079 430238559 /nfs/dbraw/zinc/23/85/59/430238559.db2.gz LAEQVTVLCQCMCM-NXHRZFHOSA-N 1 0 310.353 2.830 20 5 DFBDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000582324550 430289259 /nfs/dbraw/zinc/28/92/59/430289259.db2.gz YBPRHSWQDQLIMZ-IAQYHMDHSA-N 1 0 303.362 2.633 20 5 DFBDRO Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000582534641 430309187 /nfs/dbraw/zinc/30/91/87/430309187.db2.gz NUJFVHIPHXEOEQ-UHFFFAOYSA-N 1 0 318.377 2.511 20 5 DFBDRO C[C@]1(CO)CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000545398672 430319390 /nfs/dbraw/zinc/31/93/90/430319390.db2.gz XUBLLKCRAVSUJB-MRXNPFEDSA-N 1 0 317.345 2.597 20 5 DFBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)C(F)F ZINC000583066663 430359651 /nfs/dbraw/zinc/35/96/51/430359651.db2.gz KSULLHLOPVTNBT-JIMOISOXSA-N 1 0 302.321 2.958 20 5 DFBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000569554276 430463961 /nfs/dbraw/zinc/46/39/61/430463961.db2.gz ZXJGJWFQJZHKHF-BMIGLBTASA-N 1 0 305.403 2.960 20 5 DFBDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000547798413 430423854 /nfs/dbraw/zinc/42/38/54/430423854.db2.gz BOVQOYKHYHPGKF-OAHLLOKOSA-N 1 0 319.405 2.850 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000569891750 430494722 /nfs/dbraw/zinc/49/47/22/430494722.db2.gz CRUXEWLEFQRZCR-USXIJHARSA-N 1 0 318.417 2.914 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000569916377 430496985 /nfs/dbraw/zinc/49/69/85/430496985.db2.gz GGOJDWWXIKPXDO-LBPRGKRZSA-N 1 0 320.393 2.621 20 5 DFBDRO [NH3+]C1(CNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCCC1 ZINC000594694399 430501959 /nfs/dbraw/zinc/50/19/59/430501959.db2.gz NJAFMKRRRZWKJQ-UHFFFAOYSA-N 1 0 318.402 3.402 20 5 DFBDRO CC(C)[C@H]([NH3+])CCNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000596027278 430504458 /nfs/dbraw/zinc/50/44/58/430504458.db2.gz RNBLYPHGYQRVPN-CYBMUJFWSA-N 1 0 320.418 3.504 20 5 DFBDRO CO[C@](C)(C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000361010661 277773976 /nfs/dbraw/zinc/77/39/76/277773976.db2.gz QKOYDRQJCOSVNV-OFQRWUPVSA-N 1 0 322.409 2.680 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000549039583 430516000 /nfs/dbraw/zinc/51/60/00/430516000.db2.gz QJQSGRQHASZWBX-VBNZEHGJSA-N 1 0 317.389 2.707 20 5 DFBDRO CC[C@@H]1C[N@H+](C)CCN1c1nc2ccccc2cc1[N+](=O)[O-] ZINC000549639840 430528972 /nfs/dbraw/zinc/52/89/72/430528972.db2.gz QEHSAVJHWCKQIP-CYBMUJFWSA-N 1 0 300.362 2.673 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C[C@@H]3CCSC3)c2c1 ZINC000570599341 430558413 /nfs/dbraw/zinc/55/84/13/430558413.db2.gz FLBJSEJNHPQOOH-NSHDSACASA-N 1 0 305.403 2.961 20 5 DFBDRO CCCC[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000554752515 430651554 /nfs/dbraw/zinc/65/15/54/430651554.db2.gz DEVWJRHLUAIKMP-UHFFFAOYSA-N 1 0 306.410 2.938 20 5 DFBDRO CCn1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1=O ZINC000555789385 430673933 /nfs/dbraw/zinc/67/39/33/430673933.db2.gz NJTCODOVUNETAA-CYBMUJFWSA-N 1 0 315.373 2.936 20 5 DFBDRO C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000370044570 278032585 /nfs/dbraw/zinc/03/25/85/278032585.db2.gz FBVKUARQRZSLAA-YPMHNXCESA-N 1 0 318.352 2.845 20 5 DFBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000572451685 430687290 /nfs/dbraw/zinc/68/72/90/430687290.db2.gz SSBJDUJNJCUPOC-GFCCVEGCSA-N 1 0 317.393 2.782 20 5 DFBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000339098185 278259421 /nfs/dbraw/zinc/25/94/21/278259421.db2.gz OBDVIDQVFOYWIP-STQMWFEESA-N 1 0 320.393 2.837 20 5 DFBDRO C[C@@H](CNc1c2c(ccc1[N+](=O)[O-])NCC2)C[NH+]1CCCC1 ZINC000302823964 278287650 /nfs/dbraw/zinc/28/76/50/278287650.db2.gz FYIDQXDXRLJTJY-LBPRGKRZSA-N 1 0 304.394 2.707 20 5 DFBDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000237374024 278312437 /nfs/dbraw/zinc/31/24/37/278312437.db2.gz NPFCFDXBZSAZSM-RNCFNFMXSA-N 1 0 311.769 2.590 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1 ZINC000262737981 278316691 /nfs/dbraw/zinc/31/66/91/278316691.db2.gz GTQCRLFOGKBBAM-ZWNOBZJWSA-N 1 0 317.345 2.683 20 5 DFBDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000262752715 278317033 /nfs/dbraw/zinc/31/70/33/278317033.db2.gz NPFCFDXBZSAZSM-NOZJJQNGSA-N 1 0 311.769 2.590 20 5 DFBDRO C[C@@H]([NH2+]C[C@@H]1CCc2nccn2C1)c1ccc([N+](=O)[O-])cc1 ZINC000275513141 278352036 /nfs/dbraw/zinc/35/20/36/278352036.db2.gz KNHVLVRLMHGAFW-OLZOCXBDSA-N 1 0 300.362 2.705 20 5 DFBDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000216077334 278890989 /nfs/dbraw/zinc/89/09/89/278890989.db2.gz IPUAJXSQOFKEOA-BDAKNGLRSA-N 1 0 303.284 2.787 20 5 DFBDRO CCC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1cccc([N+](=O)[O-])c1 ZINC000358250425 278946440 /nfs/dbraw/zinc/94/64/40/278946440.db2.gz PEHHSZRRQUOVEV-JYJNAYRXSA-N 1 0 319.405 2.940 20 5 DFBDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000193497969 279032855 /nfs/dbraw/zinc/03/28/55/279032855.db2.gz GEPQLCXIRKAKAB-CABZTGNLSA-N 1 0 319.386 2.680 20 5 DFBDRO Cc1noc(C)c1C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000331615201 279249651 /nfs/dbraw/zinc/24/96/51/279249651.db2.gz MTIFWXXTTVAFMG-KGLIPLIRSA-N 1 0 319.365 2.670 20 5 DFBDRO CC(C)N(C(=O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000296763411 279286838 /nfs/dbraw/zinc/28/68/38/279286838.db2.gz QSOCNURYPKGYNP-ZDUSSCGKSA-N 1 0 307.394 2.891 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)Nc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000316820185 279303987 /nfs/dbraw/zinc/30/39/87/279303987.db2.gz XZZUCQLIQAMAJB-LLVKDONJSA-N 1 0 303.366 2.757 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000371826062 279384564 /nfs/dbraw/zinc/38/45/64/279384564.db2.gz CUALZLMOBIDHJY-CQSZACIVSA-N 1 0 318.352 2.675 20 5 DFBDRO C[C@H]1C[C@H](NC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC000262888685 280006741 /nfs/dbraw/zinc/00/67/41/280006741.db2.gz OKVXUOKQXRCFFB-WCQYABFASA-N 1 0 319.405 2.763 20 5 DFBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000363171765 280018343 /nfs/dbraw/zinc/01/83/43/280018343.db2.gz CFWNFUHUOJEGQI-JSGCOSHPSA-N 1 0 300.362 2.706 20 5 DFBDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000281561683 280191987 /nfs/dbraw/zinc/19/19/87/280191987.db2.gz JVRMNTKXNFSKPN-SWLSCSKDSA-N 1 0 305.378 2.646 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000181812525 280977168 /nfs/dbraw/zinc/97/71/68/280977168.db2.gz ISMZZKWGIXHBRY-AWEZNQCLSA-N 1 0 319.405 2.812 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000246731109 281008675 /nfs/dbraw/zinc/00/86/75/281008675.db2.gz MFFPVQKVFXAQOA-KGLIPLIRSA-N 1 0 319.405 2.753 20 5 DFBDRO Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000248833476 281257841 /nfs/dbraw/zinc/25/78/41/281257841.db2.gz MZVPPXHVWCWVFP-OCCSQVGLSA-N 1 0 319.405 2.753 20 5 DFBDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000272539748 288327771 /nfs/dbraw/zinc/32/77/71/288327771.db2.gz JLXAACCJVFEKMM-NWDGAFQWSA-N 1 0 319.405 2.715 20 5 DFBDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000353948049 288356305 /nfs/dbraw/zinc/35/63/05/288356305.db2.gz RAGGGYSTOGJYBS-APIJFGDWSA-N 1 0 322.409 2.537 20 5 DFBDRO CC(C)C[N@@H+]1CCCN(CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000363417081 289093075 /nfs/dbraw/zinc/09/30/75/289093075.db2.gz GKXJVQHTMJJTSA-UHFFFAOYSA-N 1 0 321.421 2.637 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N[C@@H](C[NH3+])C2CC2)cc1[N+](=O)[O-] ZINC000415703250 289122116 /nfs/dbraw/zinc/12/21/16/289122116.db2.gz QMCQKDHKBOTQCY-ZDUSSCGKSA-N 1 0 320.393 2.751 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)NCCCC[NH3+])cc1[N+](=O)[O-] ZINC000415704115 289122187 /nfs/dbraw/zinc/12/21/87/289122187.db2.gz RMZNZYZNYRLFEE-UHFFFAOYSA-N 1 0 308.382 2.753 20 5 DFBDRO CC(C)(C)c1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc1[N+](=O)[O-] ZINC000415710580 289122927 /nfs/dbraw/zinc/12/29/27/289122927.db2.gz ZVKRHAASKDNZJJ-NSHDSACASA-N 1 0 320.393 2.705 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000415758580 289131373 /nfs/dbraw/zinc/13/13/73/289131373.db2.gz HRFBTNLXSVDKQM-IAQYHMDHSA-N 1 0 320.393 2.748 20 5 DFBDRO CCc1ccc([N+](=O)[O-])cc1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415762422 289131989 /nfs/dbraw/zinc/13/19/89/289131989.db2.gz NAKHSOVEZVKLIH-GFCCVEGCSA-N 1 0 320.393 2.750 20 5 DFBDRO CCCC[C@@H](C[NH3+])NC(=O)Nc1cc([N+](=O)[O-])ccc1CC ZINC000415769362 289133915 /nfs/dbraw/zinc/13/39/15/289133915.db2.gz WUZRGHQOGQBOJP-LBPRGKRZSA-N 1 0 308.382 2.796 20 5 DFBDRO CN1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000436378055 297000191 /nfs/dbraw/zinc/00/01/91/297000191.db2.gz KKNSTYSZWSFPCY-CQSZACIVSA-N 1 0 311.385 2.993 20 5 DFBDRO COc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])cn1 ZINC000436416858 297002224 /nfs/dbraw/zinc/00/22/24/297002224.db2.gz ZCVHMOOVEBDEHN-UHFFFAOYSA-N 1 0 321.764 2.984 20 5 DFBDRO COc1ccc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)nc1 ZINC000436443717 297003760 /nfs/dbraw/zinc/00/37/60/297003760.db2.gz JGRPQHOFZBEJTH-UHFFFAOYSA-N 1 0 324.340 2.889 20 5 DFBDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000437348794 297060620 /nfs/dbraw/zinc/06/06/20/297060620.db2.gz WSNBXBZOWUANIN-PWSUYJOCSA-N 1 0 310.325 2.555 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495255247 299914424 /nfs/dbraw/zinc/91/44/24/299914424.db2.gz UQDZSKFGJJUEAD-LBPRGKRZSA-N 1 0 319.361 2.539 20 5 DFBDRO COc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000294858404 295254195 /nfs/dbraw/zinc/25/41/95/295254195.db2.gz CVLBDOSFUHTHEJ-GFCCVEGCSA-N 1 0 305.378 2.524 20 5 DFBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000368028191 295455245 /nfs/dbraw/zinc/45/52/45/295455245.db2.gz ZBKSLPKJEJBTCV-ZDUSSCGKSA-N 1 0 308.378 2.689 20 5 DFBDRO COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000495559143 299939822 /nfs/dbraw/zinc/93/98/22/299939822.db2.gz NNRBADORNGUGGB-TZMCWYRMSA-N 1 0 321.377 2.551 20 5 DFBDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000247199906 297100152 /nfs/dbraw/zinc/10/01/52/297100152.db2.gz LOAXZBSFGYUDNC-PWSUYJOCSA-N 1 0 323.780 2.557 20 5 DFBDRO COc1ccc(-c2ccc(C[NH2+]C[C@@H](C)OC)o2)c([N+](=O)[O-])c1 ZINC000443002757 297212986 /nfs/dbraw/zinc/21/29/86/297212986.db2.gz AWXLFQHSEIIUDR-LLVKDONJSA-N 1 0 320.345 2.988 20 5 DFBDRO C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCO[C@H]1C1CC1 ZINC000444688340 297245297 /nfs/dbraw/zinc/24/52/97/297245297.db2.gz JDVHREWUKQMCRY-JKSUJKDBSA-N 1 0 316.361 2.518 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCc2cccnc2)n1 ZINC000447530768 297306999 /nfs/dbraw/zinc/30/69/99/297306999.db2.gz PJRIDXLVOYZVFP-CABCVRRESA-N 1 0 315.377 2.502 20 5 DFBDRO CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000447560537 297308284 /nfs/dbraw/zinc/30/82/84/297308284.db2.gz DPBBKHZOXBIOQD-MELADBBJSA-N 1 0 324.425 2.926 20 5 DFBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H](CO)CC(F)(F)F)CCC2 ZINC000447580243 297309135 /nfs/dbraw/zinc/30/91/35/297309135.db2.gz NQNXNSWEFWLVFC-ZWNOBZJWSA-N 1 0 318.295 2.875 20 5 DFBDRO COCCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447584601 297309605 /nfs/dbraw/zinc/30/96/05/297309605.db2.gz GPPLDICOKXDLMO-ZIAGYGMSSA-N 1 0 322.409 2.681 20 5 DFBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC(F)(F)F)n1 ZINC000447585629 297309644 /nfs/dbraw/zinc/30/96/44/297309644.db2.gz KZFPQEKTUCLCTI-UWVGGRQHSA-N 1 0 306.288 2.817 20 5 DFBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(N(C)C)CCCC1 ZINC000449064951 297399230 /nfs/dbraw/zinc/39/92/30/297399230.db2.gz XGKVXUNVEHVORI-AWEZNQCLSA-N 1 0 305.422 2.990 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](O)Cc1ccccc1 ZINC000449123999 297409371 /nfs/dbraw/zinc/40/93/71/297409371.db2.gz FCRJYGHRGSPQTM-RHSMWYFYSA-N 1 0 314.385 2.719 20 5 DFBDRO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449181665 297418891 /nfs/dbraw/zinc/41/88/91/297418891.db2.gz IEXBITGBENUKMR-RISCZKNCSA-N 1 0 315.377 2.550 20 5 DFBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOc1ncccc1F ZINC000449201275 297422027 /nfs/dbraw/zinc/42/20/27/297422027.db2.gz CXVIDQIUZUPTFL-GFCCVEGCSA-N 1 0 319.336 2.729 20 5 DFBDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449239206 297427631 /nfs/dbraw/zinc/42/76/31/297427631.db2.gz IMLLBANEKLXSJF-YNEHKIRRSA-N 1 0 308.378 2.703 20 5 DFBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000449483514 297477769 /nfs/dbraw/zinc/47/77/69/297477769.db2.gz JDIAQTNGPYDDSF-UPJWGTAASA-N 1 0 305.378 2.948 20 5 DFBDRO O=[N+]([O-])c1ccn(C2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)n1 ZINC000450884205 297707478 /nfs/dbraw/zinc/70/74/78/297707478.db2.gz RPRLEFRSTDHSRG-NSHDSACASA-N 1 0 314.336 2.864 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000451481602 297813065 /nfs/dbraw/zinc/81/30/65/297813065.db2.gz AYELZYFZYPTLGA-GOEBONIOSA-N 1 0 308.378 2.897 20 5 DFBDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000451593366 297841267 /nfs/dbraw/zinc/84/12/67/297841267.db2.gz HNRGDGMVRBZIOF-DFBGVHRSSA-N 1 0 306.362 2.977 20 5 DFBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)cc1 ZINC000451617699 297845590 /nfs/dbraw/zinc/84/55/90/297845590.db2.gz YGVUMNPRNORJAS-SJORKVTESA-N 1 0 304.390 2.524 20 5 DFBDRO C[C@H]([NH2+]CCn1cc([N+](=O)[O-])ccc1=O)[C@H]1CCC[C@@H](C)C1 ZINC000452064111 297918645 /nfs/dbraw/zinc/91/86/45/297918645.db2.gz YWELXEFPMBDBGE-RDBSUJKOSA-N 1 0 307.394 2.561 20 5 DFBDRO Cc1cnc(CC[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000453415063 298092319 /nfs/dbraw/zinc/09/23/19/298092319.db2.gz XACSVVHRTGBSFE-ZDUSSCGKSA-N 1 0 314.389 2.847 20 5 DFBDRO CC[C@H](C)[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 ZINC000454199444 298134747 /nfs/dbraw/zinc/13/47/47/298134747.db2.gz NGLGPBHETRTLSF-LBPRGKRZSA-N 1 0 320.393 2.851 20 5 DFBDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000454321049 298155023 /nfs/dbraw/zinc/15/50/23/298155023.db2.gz JGRIMCPQPMLWCB-NSHDSACASA-N 1 0 324.356 2.682 20 5 DFBDRO CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000455343901 298342593 /nfs/dbraw/zinc/34/25/93/298342593.db2.gz ZNTAVJOOAMBWKB-UHFFFAOYSA-N 1 0 324.356 2.730 20 5 DFBDRO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H](C)O1 ZINC000515366350 300303147 /nfs/dbraw/zinc/30/31/47/300303147.db2.gz PXBMRHZFXZEHOJ-UVWXRNBGSA-N 1 0 303.362 2.774 20 5 DFBDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)ccc1[N+](=O)[O-] ZINC000515643223 300316341 /nfs/dbraw/zinc/31/63/41/300316341.db2.gz GZNHUDCOPPAAES-CABCVRRESA-N 1 0 320.389 2.994 20 5 DFBDRO CCC(C)(C)OCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000517556899 300399169 /nfs/dbraw/zinc/39/91/69/300399169.db2.gz VYEUEBVPEJMRMR-UHFFFAOYSA-N 1 0 323.393 2.718 20 5 DFBDRO CC[NH+]1CCC(CNC(=O)c2cc([N+](=O)[O-])c(C)cc2C)CC1 ZINC000519638581 300465519 /nfs/dbraw/zinc/46/55/19/300465519.db2.gz MEKBNTDABLZVCK-UHFFFAOYSA-N 1 0 319.405 2.673 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531094950 301078865 /nfs/dbraw/zinc/07/88/65/301078865.db2.gz LYNJJBNQZCNCGO-GFCCVEGCSA-N 1 0 323.784 2.697 20 5 DFBDRO CNC(=O)C1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000532218707 301137650 /nfs/dbraw/zinc/13/76/50/301137650.db2.gz OVTHJKHFBVNJPG-IYXRBSQSSA-N 1 0 319.405 2.859 20 5 DFBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](CO)Cc2ccco2)cc1[N+](=O)[O-] ZINC000532279379 301141993 /nfs/dbraw/zinc/14/19/93/301141993.db2.gz IRCSWKIZVVGSLB-UONOGXRCSA-N 1 0 318.373 2.998 20 5 DFBDRO O=C1CCCN1CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000532639798 301164540 /nfs/dbraw/zinc/16/45/40/301164540.db2.gz XMLXTGMFCQZVDU-UHFFFAOYSA-N 1 0 317.389 2.572 20 5 DFBDRO C[C@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C1 ZINC000533295423 301194249 /nfs/dbraw/zinc/19/42/49/301194249.db2.gz ZHKRNPNMEZFUKS-QWRGUYRKSA-N 1 0 302.334 2.875 20 5 DFBDRO Cc1cc(C)c([N+](=O)[O-])c(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1 ZINC000408171909 301203949 /nfs/dbraw/zinc/20/39/49/301203949.db2.gz PIQZJNUGQXFYMD-KBPBESRZSA-N 1 0 304.394 2.527 20 5 DFBDRO CCOc1ccc([C@H](C)[NH2+]CCN2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000536625687 301283845 /nfs/dbraw/zinc/28/38/45/301283845.db2.gz YGYUZRPLLAFTOU-KGLIPLIRSA-N 1 0 321.421 2.986 20 5 DFBDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1CC1(C)C ZINC000536871240 301291991 /nfs/dbraw/zinc/29/19/91/301291991.db2.gz OHMWZJRGSXJWOS-RYUDHWBXSA-N 1 0 305.378 2.948 20 5 DFBDRO C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000537511849 301301175 /nfs/dbraw/zinc/30/11/75/301301175.db2.gz YPGXOVXILCOFPF-LBPRGKRZSA-N 1 0 314.345 2.669 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000537968571 301314616 /nfs/dbraw/zinc/31/46/16/301314616.db2.gz MPNFBHJPZXBPAP-LBPRGKRZSA-N 1 0 315.377 2.723 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000539074381 301337682 /nfs/dbraw/zinc/33/76/82/301337682.db2.gz MRTQGXDNTOYNTH-VXGBXAGGSA-N 1 0 307.394 2.857 20 5 DFBDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC(C)(C)C ZINC000539624562 301345967 /nfs/dbraw/zinc/34/59/67/301345967.db2.gz FXSPGRUFEULFLM-GFCCVEGCSA-N 1 0 323.393 2.717 20 5 DFBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000540184545 301359538 /nfs/dbraw/zinc/35/95/38/301359538.db2.gz QYXXBTHVGOERQB-BCUIYNNISA-N 1 0 317.389 2.563 20 5 DFBDRO C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000562397868 301969137 /nfs/dbraw/zinc/96/91/37/301969137.db2.gz XCDQZBDCKPYUCG-KGLIPLIRSA-N 1 0 319.405 2.689 20 5 DFBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000563014439 302026045 /nfs/dbraw/zinc/02/60/45/302026045.db2.gz WDPQQHJGNXHJLC-NYTXWWLZSA-N 1 0 322.405 2.749 20 5 DFBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cnn1C ZINC000563417180 302070320 /nfs/dbraw/zinc/07/03/20/302070320.db2.gz JKOVTNREGVYUET-MEBBXXQBSA-N 1 0 300.362 2.975 20 5 DFBDRO Cc1nn(Cc2ccc3c(c2)C[NH2+]CC3)c2ccc([N+](=O)[O-])cc12 ZINC000563816056 302100619 /nfs/dbraw/zinc/10/06/19/302100619.db2.gz YYDSZPXQTXUZHY-UHFFFAOYSA-N 1 0 322.368 2.947 20 5 DFBDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000564076763 302117219 /nfs/dbraw/zinc/11/72/19/302117219.db2.gz GHYZBVAZHRCNFB-KDOFPFPSSA-N 1 0 314.385 2.892 20 5 DFBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1 ZINC000564118876 302119718 /nfs/dbraw/zinc/11/97/18/302119718.db2.gz SKDRNSUXWOCNEI-HZSPNIEDSA-N 1 0 308.378 2.503 20 5 DFBDRO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000564325295 302129057 /nfs/dbraw/zinc/12/90/57/302129057.db2.gz LZVRNQNUYVYBAF-HNNXBMFYSA-N 1 0 319.405 2.641 20 5 DFBDRO CC(C)(C)[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000564723236 302153443 /nfs/dbraw/zinc/15/34/43/302153443.db2.gz BFCAPZJJHVWAPI-ZDUSSCGKSA-N 1 0 300.786 2.787 20 5 DFBDRO CC(C)Oc1nc(N(C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000565231173 302210699 /nfs/dbraw/zinc/21/06/99/302210699.db2.gz ZPWJYHCFMUIQNG-UHFFFAOYSA-N 1 0 322.409 2.699 20 5 DFBDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565230233 302210776 /nfs/dbraw/zinc/21/07/76/302210776.db2.gz QBTUUZPZNLNUTN-ILXRZTDVSA-N 1 0 318.373 2.904 20 5 DFBDRO CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000565396779 302222088 /nfs/dbraw/zinc/22/20/88/302222088.db2.gz VYZFBLLNBJDWGO-BBRMVZONSA-N 1 0 319.405 2.641 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000565924408 302248756 /nfs/dbraw/zinc/24/87/56/302248756.db2.gz VLYCRGIUYYZCAR-LBPRGKRZSA-N 1 0 323.393 2.830 20 5 DFBDRO COCC1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000566222351 302268688 /nfs/dbraw/zinc/26/86/88/302268688.db2.gz VJFUPRGVTVGJET-UONOGXRCSA-N 1 0 322.409 2.681 20 5 DFBDRO CNc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000566286404 302274376 /nfs/dbraw/zinc/27/43/76/302274376.db2.gz MXELDKKDJJHBSA-SRVKXCTJSA-N 1 0 320.393 2.836 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000566474429 302290486 /nfs/dbraw/zinc/29/04/86/302290486.db2.gz GMKXFLRINFAQSB-MBNYWOFBSA-N 1 0 312.316 2.720 20 5 DFBDRO COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)C[C@H](C)[NH3+] ZINC000567471642 302361644 /nfs/dbraw/zinc/36/16/44/302361644.db2.gz VHPWIQADUHICGO-YUMQZZPRSA-N 1 0 315.757 2.573 20 5 DFBDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000567689075 302379805 /nfs/dbraw/zinc/37/98/05/302379805.db2.gz BSRJCMHEJXXLSB-YJNKXOJESA-N 1 0 322.405 2.749 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CC12CCOCC2 ZINC000569623088 302529158 /nfs/dbraw/zinc/52/91/58/302529158.db2.gz KZHROKAJYREXQK-DOMZBBRYSA-N 1 0 302.374 2.988 20 5 DFBDRO CO[C@@H](C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-])CC(C)C ZINC000570273509 302565069 /nfs/dbraw/zinc/56/50/69/302565069.db2.gz NPKODTIRKCHEAJ-CYBMUJFWSA-N 1 0 323.393 2.574 20 5 DFBDRO O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000570552283 302579499 /nfs/dbraw/zinc/57/94/99/302579499.db2.gz FNULRGHRMPFKRU-KRWDZBQOSA-N 1 0 312.373 2.723 20 5 DFBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000574030702 302736512 /nfs/dbraw/zinc/73/65/12/302736512.db2.gz KJAKDUSIMSWFLR-QPSCCSFWSA-N 1 0 322.409 2.822 20 5 DFBDRO Cc1nnc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)s1 ZINC000574123568 302741190 /nfs/dbraw/zinc/74/11/90/302741190.db2.gz FUDVBQNRVOHOSM-SNVBAGLBSA-N 1 0 306.391 2.956 20 5 DFBDRO Cn1cnc([N+](=O)[O-])c1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000354710250 303021213 /nfs/dbraw/zinc/02/12/13/303021213.db2.gz QWIINQWGYCSVDV-LLVKDONJSA-N 1 0 321.406 2.639 20 5 DFBDRO CCOC(=O)c1cc(N[C@@H]2CCC[N@H+](CC)C2)ccc1[N+](=O)[O-] ZINC000180424031 316033223 /nfs/dbraw/zinc/03/32/23/316033223.db2.gz MBJHSXHDRKPBSA-CYBMUJFWSA-N 1 0 321.377 2.668 20 5 DFBDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000181826085 316074765 /nfs/dbraw/zinc/07/47/65/316074765.db2.gz DNALSDBDBWPWHB-QWHCGFSZSA-N 1 0 307.394 2.715 20 5 DFBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCCO1 ZINC000182296783 316095521 /nfs/dbraw/zinc/09/55/21/316095521.db2.gz HFZRFZKEMZRXSQ-YPMHNXCESA-N 1 0 305.334 2.783 20 5 DFBDRO Cc1cccc([C@@H](C)[NH2+]CCn2cc([N+](=O)[O-])ccc2=O)c1C ZINC000183708623 316150700 /nfs/dbraw/zinc/15/07/00/316150700.db2.gz JJCGICLGVZDZRJ-CQSZACIVSA-N 1 0 315.373 2.724 20 5 DFBDRO CCO[C@@H]1C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000318819190 316249637 /nfs/dbraw/zinc/24/96/37/316249637.db2.gz JUDIWERUNSHMLW-LSDHHAIUSA-N 1 0 308.378 2.767 20 5 DFBDRO CCOC(=O)C[C@H](C)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000346348811 316318509 /nfs/dbraw/zinc/31/85/09/316318509.db2.gz YYQNVRZPZQYJSX-JWJUJFCLSA-N 1 0 306.362 2.882 20 5 DFBDRO [NH3+]CCN(Cc1c(F)ccc(O)c1F)c1ccccc1[N+](=O)[O-] ZINC000353500149 316523444 /nfs/dbraw/zinc/52/34/44/316523444.db2.gz WRAAWDYTYZHLPN-UHFFFAOYSA-N 1 0 323.299 2.544 20 5 DFBDRO O=[N+]([O-])c1ccccc1-c1ccc(CNC2CC[NH2+]CC2)o1 ZINC000414781251 316653253 /nfs/dbraw/zinc/65/32/53/316653253.db2.gz BUTQJDUJAHTUNK-UHFFFAOYSA-N 1 0 301.346 2.696 20 5 DFBDRO COCC(C)(C)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000425503698 316811215 /nfs/dbraw/zinc/81/12/15/316811215.db2.gz JPHMLBRHLVRCAQ-CQSZACIVSA-N 1 0 321.421 2.698 20 5 DFBDRO C[C@H]1OCC[C@H]1[NH2+]Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000429382356 316846110 /nfs/dbraw/zinc/84/61/10/316846110.db2.gz SQLGECZECBUYKM-QMTHXVAHSA-N 1 0 303.318 2.517 20 5 DFBDRO CCc1nn(C)cc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449249263 317032275 /nfs/dbraw/zinc/03/22/75/317032275.db2.gz ISZKTOMATMNOLU-GFCCVEGCSA-N 1 0 302.378 2.612 20 5 DFBDRO CC(C)C[NH+]1CCN(c2nccc3c2cccc3[N+](=O)[O-])CC1 ZINC000450216946 317069930 /nfs/dbraw/zinc/06/99/30/317069930.db2.gz RLCRJHROWSGXKR-UHFFFAOYSA-N 1 0 314.389 2.921 20 5 DFBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453167273 317168074 /nfs/dbraw/zinc/16/80/74/317168074.db2.gz AEVSXJKGWCMMRJ-CZUORRHYSA-N 1 0 306.406 2.913 20 5 DFBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c2ccccc2ncc1[N+](=O)[O-] ZINC000488060285 317363944 /nfs/dbraw/zinc/36/39/44/317363944.db2.gz WDQDGDTZHPBZGH-ZDUSSCGKSA-N 1 0 314.389 2.921 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000566475652 317950504 /nfs/dbraw/zinc/95/05/04/317950504.db2.gz OCDGOSNLDUWLNR-BLLLJJGKSA-N 1 0 316.357 2.616 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000566475653 317950565 /nfs/dbraw/zinc/95/05/65/317950565.db2.gz OCDGOSNLDUWLNR-LRDDRELGSA-N 1 0 316.357 2.616 20 5 DFBDRO [NH3+]CCN(CC1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000573532006 318019641 /nfs/dbraw/zinc/01/96/41/318019641.db2.gz GTOMPACFIIAITE-UHFFFAOYSA-N 1 0 311.385 2.775 20 5 DFBDRO C[N@@H+]1CC[C@@]2(CCN(c3nccc4c3cccc4[N+](=O)[O-])C2)C1 ZINC000573535548 318020014 /nfs/dbraw/zinc/02/00/14/318020014.db2.gz NYBAECJEMZIMQP-QGZVFWFLSA-N 1 0 312.373 2.675 20 5 DFBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCOC[C@H](C3CCC3)C2)c1 ZINC000574623411 318029007 /nfs/dbraw/zinc/02/90/07/318029007.db2.gz POIQZSNGCNZJKX-OAHLLOKOSA-N 1 0 320.389 2.722 20 5 DFBDRO Cc1c(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000574683841 318033071 /nfs/dbraw/zinc/03/30/71/318033071.db2.gz ZEMBXHNNJYUDAY-LBPRGKRZSA-N 1 0 317.389 2.507 20 5 DFBDRO Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575970853 318094987 /nfs/dbraw/zinc/09/49/87/318094987.db2.gz OTMHAUAHDBHVBR-OLZOCXBDSA-N 1 0 318.377 2.570 20 5 DFBDRO C[C@H](CNc1nc2c(cc1[N+](=O)[O-])CCCC2)[N@H+](C)C1CC1 ZINC000577391484 318190366 /nfs/dbraw/zinc/19/03/66/318190366.db2.gz RZHDWERDOUKGDG-LLVKDONJSA-N 1 0 304.394 2.763 20 5 DFBDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000577815530 318218048 /nfs/dbraw/zinc/21/80/48/318218048.db2.gz XOCIJNJLGQCDEK-ZFWWWQNUSA-N 1 0 319.405 2.687 20 5 DFBDRO Cn1cncc1CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000577816103 318218094 /nfs/dbraw/zinc/21/80/94/318218094.db2.gz BXHKZRHCGJBGJO-MRXNPFEDSA-N 1 0 314.389 2.883 20 5 DFBDRO CC1(C)CC[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000577961561 318229244 /nfs/dbraw/zinc/22/92/44/318229244.db2.gz WNSRKDBNVLCPGA-CQSZACIVSA-N 1 0 319.361 2.671 20 5 DFBDRO CCC[N@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000578245732 318248466 /nfs/dbraw/zinc/24/84/66/318248466.db2.gz XIBFUIXWFCGDER-UHFFFAOYSA-N 1 0 309.366 2.662 20 5 DFBDRO COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCC1(C)C ZINC000578451156 318262086 /nfs/dbraw/zinc/26/20/86/318262086.db2.gz XBWCWCICWUPSOI-CQSZACIVSA-N 1 0 321.377 2.710 20 5 DFBDRO CC[NH2+]CCCNC(=O)N(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000578624540 318273601 /nfs/dbraw/zinc/27/36/01/318273601.db2.gz XMFKGCHETWVIRY-UHFFFAOYSA-N 1 0 322.409 2.514 20 5 DFBDRO [NH3+]C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Br)C1 ZINC000382418273 323297824 /nfs/dbraw/zinc/29/78/24/323297824.db2.gz IIOFRFHPYIEVKF-IUCAKERBSA-N 1 0 314.183 2.897 20 5 DFBDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1 ZINC000387448608 323324688 /nfs/dbraw/zinc/32/46/88/323324688.db2.gz MJHCGTGEPITVNM-NSHDSACASA-N 1 0 309.366 2.566 20 5 DFBDRO O=[N+]([O-])c1cccc(Br)c1OCC[C@@H]1CC[NH2+]C1 ZINC000396745164 323353254 /nfs/dbraw/zinc/35/32/54/323353254.db2.gz XKOPOAWUUQPIAD-VIFPVBQESA-N 1 0 315.167 2.736 20 5 DFBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000580465410 323390713 /nfs/dbraw/zinc/39/07/13/323390713.db2.gz HPNJKMSTCCBXFR-ZMSDIMECSA-N 1 0 301.390 2.799 20 5 DFBDRO O=c1c2cccc([N+](=O)[O-])c2ccn1CCC[NH+]1CCCCC1 ZINC000580892304 323448172 /nfs/dbraw/zinc/44/81/72/323448172.db2.gz DDHLXDYMVXKYBF-UHFFFAOYSA-N 1 0 315.373 2.786 20 5 DFBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C[C@@H](O)CC3CCCC3)nc2c1 ZINC000581484518 323529522 /nfs/dbraw/zinc/52/95/22/323529522.db2.gz OHYJRVSFNPBOTN-ZDUSSCGKSA-N 1 0 318.377 2.502 20 5 DFBDRO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000583510307 323870223 /nfs/dbraw/zinc/87/02/23/323870223.db2.gz ODHSSPKHYQPWNN-CABCVRRESA-N 1 0 312.373 2.983 20 5 DFBDRO COc1cc(C[N@H+](C)C2CCC(CO)CC2)ccc1[N+](=O)[O-] ZINC000305793769 533780411 /nfs/dbraw/zinc/78/04/11/533780411.db2.gz BROYCHKOGXGALA-UHFFFAOYSA-N 1 0 308.378 2.586 20 5 DFBDRO COc1cc(C[NH2+][C@H](CCO)c2ccccc2)ccc1[N+](=O)[O-] ZINC000305844498 533903685 /nfs/dbraw/zinc/90/36/85/533903685.db2.gz SBTRAMUSAHNGCF-OAHLLOKOSA-N 1 0 316.357 2.817 20 5 DFBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294645086 533987667 /nfs/dbraw/zinc/98/76/67/533987667.db2.gz GLGYNFGUANJUJX-UOJODKQESA-N 1 0 305.378 2.785 20 5 DFBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Br)C[NH+](C)C ZINC000310858538 534091416 /nfs/dbraw/zinc/09/14/16/534091416.db2.gz NLRDOECKMMWLRQ-VIFPVBQESA-N 1 0 316.199 2.967 20 5 DFBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000331351052 534253323 /nfs/dbraw/zinc/25/33/23/534253323.db2.gz NZRLXCMOIGHUNY-NEPJUHHUSA-N 1 0 323.418 2.749 20 5 DFBDRO COc1c(C)cc(C[N@H+](C)CCn2cc([N+](=O)[O-])cn2)cc1C ZINC000157904233 521792719 /nfs/dbraw/zinc/79/27/19/521792719.db2.gz QGAIEOCGEPLUFQ-UHFFFAOYSA-N 1 0 318.377 2.549 20 5 DFBDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000163913225 522395468 /nfs/dbraw/zinc/39/54/68/522395468.db2.gz FSKICOGHTAKQEF-ISTRZQFTSA-N 1 0 306.406 2.913 20 5 DFBDRO COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347470 523829781 /nfs/dbraw/zinc/82/97/81/523829781.db2.gz KFLSDKKNQAFSAX-GDBMZVCRSA-N 1 0 321.421 2.665 20 5 DFBDRO CCc1ccc(C(=O)N2CC[C@@]3(CCC[C@@H]3[NH3+])C2)cc1[N+](=O)[O-] ZINC000365095072 523887175 /nfs/dbraw/zinc/88/71/75/523887175.db2.gz QHAZNYXVTMBXCH-RDJZCZTQSA-N 1 0 317.389 2.501 20 5 DFBDRO C[C@@H]([NH2+][C@@H](CO)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000158261321 525625876 /nfs/dbraw/zinc/62/58/76/525625876.db2.gz XDGTZRFPIYEYPF-CZUORRHYSA-N 1 0 300.358 2.849 20 5 DFBDRO O=[N+]([O-])c1ccc(CO)cc1NC1CC[NH+](C2CCCC2)CC1 ZINC000302069760 534881632 /nfs/dbraw/zinc/88/16/32/534881632.db2.gz VKOVPLZXYCFZOD-UHFFFAOYSA-N 1 0 319.405 2.906 20 5 DFBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000294716579 534887282 /nfs/dbraw/zinc/88/72/82/534887282.db2.gz CFFCRQCKTBUYGA-NVXWUHKLSA-N 1 0 313.357 3.000 20 5 DFBDRO CSc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000364802369 525953786 /nfs/dbraw/zinc/95/37/86/525953786.db2.gz PVFQUTXAYVNENR-LBPRGKRZSA-N 1 0 323.418 2.531 20 5 DFBDRO Cc1n[nH]c(C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3C)CC2)n1 ZINC000364880796 526781819 /nfs/dbraw/zinc/78/18/19/526781819.db2.gz VZZBFMZBWVBWHN-UHFFFAOYSA-N 1 0 315.377 2.709 20 5 DFBDRO CCCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296759467 528208032 /nfs/dbraw/zinc/20/80/32/528208032.db2.gz QJONZWDTDZQTNR-QWHCGFSZSA-N 1 0 307.394 2.940 20 5 DFBDRO CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000292650607 528357714 /nfs/dbraw/zinc/35/77/14/528357714.db2.gz LAISFRVSLFKDRW-NSHDSACASA-N 1 0 311.357 2.584 20 5 DFBDRO CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330713881 528422906 /nfs/dbraw/zinc/42/29/06/528422906.db2.gz ABKWFPBJDQQIFJ-KBPBESRZSA-N 1 0 319.405 2.955 20 5 DFBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000354670419 535327896 /nfs/dbraw/zinc/32/78/96/535327896.db2.gz BYXISGDZSFUTEO-GDBMZVCRSA-N 1 0 322.405 2.845 20 5 DFBDRO C[NH+](C)Cc1cccc(NC(=O)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000358259716 536037672 /nfs/dbraw/zinc/03/76/72/536037672.db2.gz URDROHDULNKJJA-UHFFFAOYSA-N 1 0 313.357 2.838 20 5 DFBDRO C[NH2+][C@@H](C)Cc1noc([C@@H](C)Sc2ccc([N+](=O)[O-])cc2)n1 ZINC000261770804 536349798 /nfs/dbraw/zinc/34/97/98/536349798.db2.gz NBVCFMQSKBYKFK-VHSXEESVSA-N 1 0 322.390 2.982 20 5 DFBDRO C[NH2+][C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000261738306 536412829 /nfs/dbraw/zinc/41/28/29/536412829.db2.gz KJHYBBAFEBXULJ-AWEZNQCLSA-N 1 0 307.394 2.566 20 5 DFBDRO COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245534656 536566860 /nfs/dbraw/zinc/56/68/60/536566860.db2.gz WEEVFMMIGDYVDV-LRDDRELGSA-N 1 0 306.362 2.849 20 5 DFBDRO C[C@@H]([NH2+]Cc1cccc(-c2nn[nH]n2)c1)c1ccc([N+](=O)[O-])cc1 ZINC000820431134 606619972 /nfs/dbraw/zinc/61/99/72/606619972.db2.gz BCHQXXXBBAONAK-LLVKDONJSA-N 1 0 324.344 2.626 20 5 DFBDRO